USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=13 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 : no HE2:sc= -4.36 K(o=-5.1,f=-2.3) USER MOD Set 1.2: A 587 GLN : amide:sc= -0.751 K(o=-5.1,f=-2.3) USER MOD Single : A 543 LYS NZ :NH3+ 150:sc= -0.985 (180deg=-2.07!) USER MOD Single : A 545 CYS SG : rot 22:sc= -0.414 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -2.85 K(o=-2.8,f=-2!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.0624 K(o=-0.062,f=-1.8!) USER MOD Single : A 572 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 575 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 591 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 593 LYS NZ :NH3+ 149:sc= -0.0131 (180deg=-1.05) USER MOD Single : A 594 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.4) USER MOD Single : A 600 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.683) USER MOD Single : A 601 SER OG : rot -44:sc= 0.919 USER MOD Single : A 605 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-6!) USER MOD Single : A 607 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.193) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.0195 K(o=-0.019,f=-0.72) 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 624 MET CE :methyl -173:sc= 0 (180deg=-0.0459) USER MOD Single : A 629 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.555) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 3.789 15.000 -1.324 1.00 0.00 N ATOM 142 CA ALA A 542 4.470 14.101 -2.247 1.00 0.00 C ATOM 143 C ALA A 542 3.945 12.675 -2.111 1.00 0.00 C ATOM 144 O ALA A 542 3.640 12.217 -1.009 1.00 0.00 O ATOM 145 CB ALA A 542 5.972 14.138 -2.010 1.00 0.00 C ATOM 0 HA ALA A 542 4.266 14.440 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.467 13.462 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.340 15.152 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.187 13.827 -0.988 1.00 0.00 H new ATOM 151 N LYS A 543 3.843 11.977 -3.236 1.00 0.00 N ATOM 152 CA LYS A 543 3.356 10.602 -3.243 1.00 0.00 C ATOM 153 C LYS A 543 4.451 9.636 -2.804 1.00 0.00 C ATOM 154 O LYS A 543 5.274 9.206 -3.611 1.00 0.00 O ATOM 155 CB LYS A 543 2.857 10.224 -4.640 1.00 0.00 C ATOM 156 CG LYS A 543 1.426 10.656 -4.912 1.00 0.00 C ATOM 157 CD LYS A 543 1.196 10.926 -6.389 1.00 0.00 C ATOM 158 CE LYS A 543 1.606 12.342 -6.766 1.00 0.00 C ATOM 159 NZ LYS A 543 3.084 12.476 -6.894 1.00 0.00 N ATOM 0 H LYS A 543 4.091 12.341 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 543 2.529 10.531 -2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.512 10.676 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.931 9.144 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.740 9.880 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.201 11.555 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.764 10.211 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 543 0.143 10.775 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 543 1.133 12.618 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 543 1.242 13.039 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 3.306 13.210 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 3.489 12.742 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 3.489 11.569 -7.201 1.00 0.00 H new ATOM 173 N VAL A 544 4.453 9.296 -1.519 1.00 0.00 N ATOM 174 CA VAL A 544 5.445 8.378 -0.972 1.00 0.00 C ATOM 175 C VAL A 544 4.779 7.251 -0.190 1.00 0.00 C ATOM 176 O VAL A 544 5.305 6.790 0.823 1.00 0.00 O ATOM 177 CB VAL A 544 6.440 9.109 -0.052 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.158 10.213 -0.812 1.00 0.00 C ATOM 179 CG2 VAL A 544 5.724 9.668 1.168 1.00 0.00 C ATOM 0 H VAL A 544 3.778 9.643 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 544 5.987 7.957 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 544 7.187 8.392 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 544 7.857 10.718 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 544 7.704 9.781 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.428 10.932 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.442 10.181 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 544 4.955 10.371 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.261 8.852 1.724 1.00 0.00 H new ATOM 189 N CYS A 545 3.619 6.813 -0.666 1.00 0.00 N ATOM 190 CA CYS A 545 2.879 5.740 -0.011 1.00 0.00 C ATOM 191 C CYS A 545 2.039 4.964 -1.020 1.00 0.00 C ATOM 192 O CYS A 545 1.602 5.512 -2.031 1.00 0.00 O ATOM 193 CB CYS A 545 1.981 6.309 1.088 1.00 0.00 C ATOM 194 SG CYS A 545 2.861 6.750 2.605 1.00 0.00 S ATOM 0 H CYS A 545 3.170 7.184 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 545 3.600 5.056 0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.473 7.194 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.210 5.577 1.328 1.00 0.00 H new ATOM 0 HG CYS A 545 4.119 6.941 2.337 1.00 0.00 H new ATOM 200 N ALA A 546 1.819 3.684 -0.739 1.00 0.00 N ATOM 201 CA ALA A 546 1.031 2.833 -1.621 1.00 0.00 C ATOM 202 C ALA A 546 0.122 1.905 -0.822 1.00 0.00 C ATOM 203 O ALA A 546 0.590 1.119 0.002 1.00 0.00 O ATOM 204 CB ALA A 546 1.945 2.023 -2.529 1.00 0.00 C ATOM 0 H ALA A 546 2.176 3.214 0.093 1.00 0.00 H new ATOM 0 HA ALA A 546 0.401 3.476 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.343 1.392 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.549 2.699 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.599 1.397 -1.922 1.00 0.00 H new ATOM 210 N HIS A 547 -1.181 2.003 -1.069 1.00 0.00 N ATOM 211 CA HIS A 547 -2.156 1.173 -0.371 1.00 0.00 C ATOM 212 C HIS A 547 -2.462 -0.091 -1.169 1.00 0.00 C ATOM 213 O HIS A 547 -2.848 -0.022 -2.337 1.00 0.00 O ATOM 214 CB HIS A 547 -3.444 1.960 -0.126 1.00 0.00 C ATOM 215 CG HIS A 547 -4.429 1.239 0.742 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.782 1.213 0.483 1.00 0.00 N ATOM 217 CD2 HIS A 547 -4.250 0.515 1.871 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.394 0.504 1.415 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.487 0.070 2.270 1.00 0.00 N ATOM 0 H HIS A 547 -1.585 2.649 -1.747 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.729 0.882 0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -3.194 2.915 0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.912 2.183 -1.085 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -6.240 1.670 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -3.310 0.323 2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.456 0.312 1.468 1.00 0.00 H new ATOM 227 N ILE A 548 -2.288 -1.244 -0.532 1.00 0.00 N ATOM 228 CA ILE A 548 -2.547 -2.522 -1.181 1.00 0.00 C ATOM 229 C ILE A 548 -3.872 -3.118 -0.717 1.00 0.00 C ATOM 230 O ILE A 548 -4.056 -3.407 0.466 1.00 0.00 O ATOM 231 CB ILE A 548 -1.419 -3.533 -0.905 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.056 -2.897 -1.185 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.609 -4.784 -1.750 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.109 -3.712 -0.667 1.00 0.00 C ATOM 0 H ILE A 548 -1.968 -1.319 0.434 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.595 -2.326 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.457 -3.819 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.057 -2.759 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 548 -0.026 -1.906 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.803 -5.489 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.566 -5.245 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.594 -4.515 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.043 -3.201 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.020 -3.829 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.105 -4.694 -1.140 1.00 0.00 H new ATOM 246 N THR A 549 -4.795 -3.301 -1.656 1.00 0.00 N ATOM 247 CA THR A 549 -6.103 -3.862 -1.344 1.00 0.00 C ATOM 248 C THR A 549 -6.405 -5.073 -2.219 1.00 0.00 C ATOM 249 O THR A 549 -5.616 -5.432 -3.093 1.00 0.00 O ATOM 250 CB THR A 549 -7.220 -2.818 -1.529 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.257 -2.375 -2.890 1.00 0.00 O ATOM 252 CG2 THR A 549 -7.007 -1.627 -0.608 1.00 0.00 C ATOM 0 H THR A 549 -4.660 -3.068 -2.640 1.00 0.00 H new ATOM 0 HA THR A 549 -6.073 -4.171 -0.299 1.00 0.00 H new ATOM 0 HB THR A 549 -8.170 -3.287 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.971 -1.713 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.809 -0.904 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.010 -1.964 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.049 -1.159 -0.834 1.00 0.00 H new ATOM 260 N ASN A 550 -7.551 -5.701 -1.979 1.00 0.00 N ATOM 261 CA ASN A 550 -7.957 -6.873 -2.746 1.00 0.00 C ATOM 262 C ASN A 550 -6.985 -8.028 -2.528 1.00 0.00 C ATOM 263 O ASN A 550 -6.631 -8.741 -3.468 1.00 0.00 O ATOM 264 CB ASN A 550 -8.035 -6.532 -4.235 1.00 0.00 C ATOM 265 CG ASN A 550 -8.835 -7.552 -5.021 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.631 -8.758 -4.882 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.752 -7.070 -5.853 1.00 0.00 N ATOM 0 H ASN A 550 -8.216 -5.418 -1.259 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.943 -7.180 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.488 -5.548 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.027 -6.472 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.322 -7.708 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.886 -6.062 -5.936 1.00 0.00 H new ATOM 274 N ILE A 551 -6.559 -8.209 -1.282 1.00 0.00 N ATOM 275 CA ILE A 551 -5.630 -9.279 -0.941 1.00 0.00 C ATOM 276 C ILE A 551 -6.218 -10.198 0.126 1.00 0.00 C ATOM 277 O ILE A 551 -7.072 -9.802 0.919 1.00 0.00 O ATOM 278 CB ILE A 551 -4.287 -8.719 -0.437 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.524 -7.671 0.653 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.495 -8.123 -1.590 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.256 -7.224 1.347 1.00 0.00 C ATOM 0 H ILE A 551 -6.842 -7.629 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.457 -9.850 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.707 -9.536 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -5.012 -6.803 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.210 -8.079 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.548 -7.732 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.300 -8.895 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.068 -7.315 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.499 -6.481 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.777 -8.082 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.576 -6.786 0.616 1.00 0.00 H new ATOM 293 N PRO A 552 -5.749 -11.455 0.147 1.00 0.00 N ATOM 294 CA PRO A 552 -6.213 -12.454 1.113 1.00 0.00 C ATOM 295 C PRO A 552 -5.635 -12.227 2.506 1.00 0.00 C ATOM 296 O PRO A 552 -4.419 -12.135 2.677 1.00 0.00 O ATOM 297 CB PRO A 552 -5.700 -13.775 0.530 1.00 0.00 C ATOM 298 CG PRO A 552 -4.492 -13.397 -0.255 1.00 0.00 C ATOM 299 CD PRO A 552 -4.731 -11.995 -0.769 1.00 0.00 C ATOM 0 HA PRO A 552 -7.294 -12.421 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.454 -14.487 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.452 -14.247 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.598 -13.434 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -4.334 -14.091 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.818 -11.400 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.084 -12.002 -1.800 1.00 0.00 H new ATOM 307 N PHE A 553 -6.513 -12.140 3.499 1.00 0.00 N ATOM 308 CA PHE A 553 -6.091 -11.922 4.878 1.00 0.00 C ATOM 309 C PHE A 553 -5.331 -13.133 5.410 1.00 0.00 C ATOM 310 O PHE A 553 -4.814 -13.113 6.527 1.00 0.00 O ATOM 311 CB PHE A 553 -7.302 -11.633 5.765 1.00 0.00 C ATOM 312 CG PHE A 553 -8.498 -12.484 5.444 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.679 -13.710 6.062 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.439 -12.058 4.521 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.778 -14.496 5.768 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.541 -12.838 4.223 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.710 -14.059 4.846 1.00 0.00 C ATOM 0 H PHE A 553 -7.522 -12.217 3.375 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.424 -11.060 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.024 -11.789 6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.575 -10.583 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -7.953 -14.056 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.310 -11.106 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -9.908 -15.450 6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.269 -12.493 3.504 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.569 -14.671 4.613 1.00 0.00 H new ATOM 327 N SER A 554 -5.271 -14.188 4.603 1.00 0.00 N ATOM 328 CA SER A 554 -4.578 -15.411 4.994 1.00 0.00 C ATOM 329 C SER A 554 -3.081 -15.163 5.147 1.00 0.00 C ATOM 330 O SER A 554 -2.418 -15.792 5.973 1.00 0.00 O ATOM 331 CB SER A 554 -4.822 -16.512 3.961 1.00 0.00 C ATOM 332 OG SER A 554 -3.947 -16.375 2.854 1.00 0.00 O ATOM 0 H SER A 554 -5.693 -14.221 3.675 1.00 0.00 H new ATOM 0 HA SER A 554 -4.975 -15.732 5.957 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.678 -17.488 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 554 -5.856 -16.471 3.619 1.00 0.00 H new ATOM 0 HG SER A 554 -4.121 -17.091 2.209 1.00 0.00 H new ATOM 338 N ILE A 555 -2.556 -14.243 4.346 1.00 0.00 N ATOM 339 CA ILE A 555 -1.137 -13.910 4.392 1.00 0.00 C ATOM 340 C ILE A 555 -0.857 -12.841 5.442 1.00 0.00 C ATOM 341 O ILE A 555 -1.774 -12.185 5.938 1.00 0.00 O ATOM 342 CB ILE A 555 -0.629 -13.417 3.025 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.092 -11.980 2.773 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.117 -14.337 1.915 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.502 -11.365 1.524 1.00 0.00 C ATOM 0 H ILE A 555 -3.091 -13.715 3.657 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.607 -14.825 4.658 1.00 0.00 H new ATOM 0 HB ILE A 555 0.461 -13.433 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.179 -11.965 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.825 -11.365 3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.750 -13.975 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.745 -15.346 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.207 -14.349 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.874 -10.347 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.585 -11.347 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.791 -11.957 0.656 1.00 0.00 H new ATOM 357 N THR A 556 0.418 -12.667 5.777 1.00 0.00 N ATOM 358 CA THR A 556 0.820 -11.676 6.767 1.00 0.00 C ATOM 359 C THR A 556 1.926 -10.776 6.227 1.00 0.00 C ATOM 360 O THR A 556 2.492 -11.040 5.166 1.00 0.00 O ATOM 361 CB THR A 556 1.306 -12.346 8.066 1.00 0.00 C ATOM 362 OG1 THR A 556 2.382 -13.246 7.780 1.00 0.00 O ATOM 363 CG2 THR A 556 0.172 -13.101 8.742 1.00 0.00 C ATOM 0 H THR A 556 1.190 -13.200 5.377 1.00 0.00 H new ATOM 0 HA THR A 556 -0.061 -11.072 6.986 1.00 0.00 H new ATOM 0 HB THR A 556 1.656 -11.566 8.742 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.686 -13.667 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.539 -13.566 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.633 -12.407 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 556 -0.204 -13.872 8.069 1.00 0.00 H new ATOM 371 N LYS A 557 2.231 -9.714 6.965 1.00 0.00 N ATOM 372 CA LYS A 557 3.272 -8.776 6.562 1.00 0.00 C ATOM 373 C LYS A 557 4.442 -9.507 5.913 1.00 0.00 C ATOM 374 O LYS A 557 4.906 -9.126 4.839 1.00 0.00 O ATOM 375 CB LYS A 557 3.764 -7.978 7.771 1.00 0.00 C ATOM 376 CG LYS A 557 4.628 -6.784 7.402 1.00 0.00 C ATOM 377 CD LYS A 557 5.239 -6.136 8.633 1.00 0.00 C ATOM 378 CE LYS A 557 6.311 -7.019 9.253 1.00 0.00 C ATOM 379 NZ LYS A 557 7.000 -6.341 10.386 1.00 0.00 N ATOM 0 H LYS A 557 1.772 -9.481 7.846 1.00 0.00 H new ATOM 0 HA LYS A 557 2.844 -8.090 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.902 -7.630 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.333 -8.639 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.421 -7.103 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.027 -6.051 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.671 -5.173 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 557 4.458 -5.939 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 557 5.859 -7.946 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 557 7.043 -7.290 8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 7.723 -6.975 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 7.453 -5.469 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 6.306 -6.105 11.123 1.00 0.00 H new ATOM 393 N MET A 558 4.915 -10.561 6.572 1.00 0.00 N ATOM 394 CA MET A 558 6.029 -11.348 6.057 1.00 0.00 C ATOM 395 C MET A 558 5.829 -11.673 4.580 1.00 0.00 C ATOM 396 O MET A 558 6.663 -11.331 3.741 1.00 0.00 O ATOM 397 CB MET A 558 6.183 -12.641 6.859 1.00 0.00 C ATOM 398 CG MET A 558 6.798 -12.433 8.234 1.00 0.00 C ATOM 399 SD MET A 558 8.598 -12.351 8.185 1.00 0.00 S ATOM 400 CE MET A 558 8.954 -11.741 9.830 1.00 0.00 C ATOM 0 H MET A 558 4.544 -10.889 7.464 1.00 0.00 H new ATOM 0 HA MET A 558 6.938 -10.755 6.161 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.204 -13.106 6.974 1.00 0.00 H new ATOM 0 HB3 MET A 558 6.803 -13.338 6.294 1.00 0.00 H new ATOM 0 HG2 MET A 558 6.408 -11.512 8.666 1.00 0.00 H new ATOM 0 HG3 MET A 558 6.493 -13.248 8.891 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.032 -11.637 9.954 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.477 -10.771 9.969 1.00 0.00 H new ATOM 0 HE3 MET A 558 8.570 -12.444 10.570 1.00 0.00 H new ATOM 410 N ASP A 559 4.719 -12.334 4.270 1.00 0.00 N ATOM 411 CA ASP A 559 4.410 -12.704 2.893 1.00 0.00 C ATOM 412 C ASP A 559 4.412 -11.477 1.987 1.00 0.00 C ATOM 413 O ASP A 559 5.054 -11.470 0.937 1.00 0.00 O ATOM 414 CB ASP A 559 3.050 -13.402 2.824 1.00 0.00 C ATOM 415 CG ASP A 559 3.081 -14.792 3.429 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.836 -15.644 2.917 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.349 -15.028 4.413 1.00 0.00 O ATOM 0 H ASP A 559 4.019 -12.624 4.952 1.00 0.00 H new ATOM 0 HA ASP A 559 5.181 -13.391 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.308 -12.798 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.732 -13.469 1.784 1.00 0.00 H new ATOM 422 N VAL A 560 3.689 -10.441 2.400 1.00 0.00 N ATOM 423 CA VAL A 560 3.608 -9.208 1.624 1.00 0.00 C ATOM 424 C VAL A 560 4.994 -8.726 1.214 1.00 0.00 C ATOM 425 O VAL A 560 5.205 -8.302 0.076 1.00 0.00 O ATOM 426 CB VAL A 560 2.902 -8.093 2.417 1.00 0.00 C ATOM 427 CG1 VAL A 560 2.929 -6.785 1.640 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.473 -8.497 2.747 1.00 0.00 C ATOM 0 H VAL A 560 3.151 -10.430 3.267 1.00 0.00 H new ATOM 0 HA VAL A 560 3.026 -9.433 0.730 1.00 0.00 H new ATOM 0 HB VAL A 560 3.438 -7.942 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.425 -6.009 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 560 3.963 -6.490 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.418 -6.918 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 560 0.989 -7.697 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.923 -8.677 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.481 -9.407 3.347 1.00 0.00 H new ATOM 438 N LEU A 561 5.938 -8.792 2.146 1.00 0.00 N ATOM 439 CA LEU A 561 7.307 -8.362 1.881 1.00 0.00 C ATOM 440 C LEU A 561 7.896 -9.121 0.698 1.00 0.00 C ATOM 441 O LEU A 561 8.773 -8.614 -0.002 1.00 0.00 O ATOM 442 CB LEU A 561 8.177 -8.573 3.122 1.00 0.00 C ATOM 443 CG LEU A 561 7.816 -7.731 4.346 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.743 -8.054 5.507 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.876 -6.249 4.010 1.00 0.00 C ATOM 0 H LEU A 561 5.781 -9.139 3.092 1.00 0.00 H new ATOM 0 HA LEU A 561 7.288 -7.300 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.126 -9.625 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.213 -8.364 2.855 1.00 0.00 H new ATOM 0 HG LEU A 561 6.796 -7.974 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.471 -7.445 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.650 -9.109 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.773 -7.839 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.616 -5.665 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.884 -5.990 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.171 -6.029 3.209 1.00 0.00 H new ATOM 457 N GLN A 562 7.408 -10.337 0.477 1.00 0.00 N ATOM 458 CA GLN A 562 7.887 -11.165 -0.623 1.00 0.00 C ATOM 459 C GLN A 562 7.329 -10.674 -1.955 1.00 0.00 C ATOM 460 O GLN A 562 8.019 -10.697 -2.975 1.00 0.00 O ATOM 461 CB GLN A 562 7.493 -12.625 -0.400 1.00 0.00 C ATOM 462 CG GLN A 562 8.070 -13.577 -1.435 1.00 0.00 C ATOM 463 CD GLN A 562 9.513 -13.945 -1.149 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.018 -13.713 -0.051 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.185 -14.522 -2.139 1.00 0.00 N ATOM 0 H GLN A 562 6.681 -10.771 1.046 1.00 0.00 H new ATOM 0 HA GLN A 562 8.974 -11.091 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.825 -12.935 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.406 -12.705 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.467 -14.484 -1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 562 8.005 -13.118 -2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.726 -14.696 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.160 -14.791 -2.005 1.00 0.00 H new ATOM 474 N PHE A 563 6.077 -10.229 -1.940 1.00 0.00 N ATOM 475 CA PHE A 563 5.427 -9.733 -3.147 1.00 0.00 C ATOM 476 C PHE A 563 6.148 -8.503 -3.688 1.00 0.00 C ATOM 477 O PHE A 563 6.179 -8.269 -4.897 1.00 0.00 O ATOM 478 CB PHE A 563 3.962 -9.395 -2.860 1.00 0.00 C ATOM 479 CG PHE A 563 3.316 -8.569 -3.936 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.478 -8.899 -5.272 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.548 -7.463 -3.610 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.884 -8.141 -6.264 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.951 -6.702 -4.599 1.00 0.00 C ATOM 484 CZ PHE A 563 2.121 -7.040 -5.927 1.00 0.00 C ATOM 0 H PHE A 563 5.492 -10.202 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 563 5.471 -10.518 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.401 -10.321 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.900 -8.858 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 563 4.075 -9.758 -5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.414 -7.192 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 563 3.016 -8.410 -7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.352 -5.844 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.658 -6.445 -6.700 1.00 0.00 H new ATOM 494 N LEU A 564 6.727 -7.720 -2.785 1.00 0.00 N ATOM 495 CA LEU A 564 7.449 -6.512 -3.169 1.00 0.00 C ATOM 496 C LEU A 564 8.935 -6.803 -3.358 1.00 0.00 C ATOM 497 O LEU A 564 9.773 -5.914 -3.209 1.00 0.00 O ATOM 498 CB LEU A 564 7.261 -5.423 -2.112 1.00 0.00 C ATOM 499 CG LEU A 564 5.825 -4.950 -1.884 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.712 -4.204 -0.564 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.363 -4.071 -3.038 1.00 0.00 C ATOM 0 H LEU A 564 6.711 -7.900 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 564 7.042 -6.162 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.656 -5.792 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.865 -4.561 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 564 5.177 -5.825 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.683 -3.875 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.000 -4.865 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.372 -3.336 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.339 -3.744 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.014 -3.200 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.405 -4.639 -3.967 1.00 0.00 H new ATOM 513 N GLU A 565 9.251 -8.051 -3.686 1.00 0.00 N ATOM 514 CA GLU A 565 10.636 -8.457 -3.897 1.00 0.00 C ATOM 515 C GLU A 565 11.290 -7.616 -4.988 1.00 0.00 C ATOM 516 O GLU A 565 10.803 -7.555 -6.116 1.00 0.00 O ATOM 517 CB GLU A 565 10.705 -9.940 -4.269 1.00 0.00 C ATOM 518 CG GLU A 565 12.093 -10.398 -4.685 1.00 0.00 C ATOM 519 CD GLU A 565 12.168 -11.895 -4.917 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.430 -12.634 -3.945 1.00 0.00 O ATOM 521 OE2 GLU A 565 11.963 -12.327 -6.071 1.00 0.00 O ATOM 0 H GLU A 565 8.568 -8.798 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 565 11.180 -8.298 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.375 -10.535 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.008 -10.135 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.385 -9.878 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.811 -10.117 -3.914 1.00 0.00 H new ATOM 528 N GLY A 566 12.398 -6.967 -4.644 1.00 0.00 N ATOM 529 CA GLY A 566 13.101 -6.137 -5.604 1.00 0.00 C ATOM 530 C GLY A 566 13.261 -4.707 -5.128 1.00 0.00 C ATOM 531 O GLY A 566 14.273 -4.062 -5.406 1.00 0.00 O ATOM 0 H GLY A 566 12.821 -7.001 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.085 -6.564 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.560 -6.143 -6.550 1.00 0.00 H new ATOM 535 N ILE A 567 12.260 -4.208 -4.411 1.00 0.00 N ATOM 536 CA ILE A 567 12.292 -2.845 -3.897 1.00 0.00 C ATOM 537 C ILE A 567 12.936 -2.795 -2.515 1.00 0.00 C ATOM 538 O ILE A 567 12.651 -3.613 -1.641 1.00 0.00 O ATOM 539 CB ILE A 567 10.879 -2.239 -3.815 1.00 0.00 C ATOM 540 CG1 ILE A 567 10.172 -2.355 -5.166 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.951 -0.786 -3.371 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.701 -2.006 -5.109 1.00 0.00 C ATOM 0 H ILE A 567 11.416 -4.728 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 567 12.888 -2.258 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 567 10.303 -2.796 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.665 -1.699 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.282 -3.374 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.944 -0.371 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 567 11.419 -0.729 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.541 -0.215 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.264 -2.110 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 567 8.194 -2.678 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.584 -0.978 -4.767 1.00 0.00 H new ATOM 554 N PRO A 568 13.825 -1.811 -2.313 1.00 0.00 N ATOM 555 CA PRO A 568 14.526 -1.628 -1.038 1.00 0.00 C ATOM 556 C PRO A 568 13.660 -0.934 0.007 1.00 0.00 C ATOM 557 O PRO A 568 13.693 0.289 0.143 1.00 0.00 O ATOM 558 CB PRO A 568 15.720 -0.747 -1.413 1.00 0.00 C ATOM 559 CG PRO A 568 15.261 0.028 -2.600 1.00 0.00 C ATOM 560 CD PRO A 568 14.214 -0.800 -3.311 1.00 0.00 C ATOM 0 HA PRO A 568 14.806 -2.580 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.998 -0.086 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.598 -1.349 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 568 14.846 0.988 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.098 0.240 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.363 -0.191 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.615 -1.262 -4.213 1.00 0.00 H new ATOM 568 N VAL A 569 12.882 -1.721 0.744 1.00 0.00 N ATOM 569 CA VAL A 569 12.008 -1.183 1.778 1.00 0.00 C ATOM 570 C VAL A 569 12.132 -1.978 3.072 1.00 0.00 C ATOM 571 O VAL A 569 12.442 -3.169 3.054 1.00 0.00 O ATOM 572 CB VAL A 569 10.535 -1.186 1.325 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.057 -2.609 1.078 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.659 -0.491 2.356 1.00 0.00 C ATOM 0 H VAL A 569 12.840 -2.735 0.643 1.00 0.00 H new ATOM 0 HA VAL A 569 12.324 -0.155 1.956 1.00 0.00 H new ATOM 0 HB VAL A 569 10.459 -0.634 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.015 -2.593 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.667 -3.068 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.146 -3.187 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.622 -0.502 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.737 -1.012 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 569 9.989 0.541 2.478 1.00 0.00 H new ATOM 584 N ASP A 570 11.886 -1.311 4.195 1.00 0.00 N ATOM 585 CA ASP A 570 11.969 -1.955 5.500 1.00 0.00 C ATOM 586 C ASP A 570 10.638 -2.597 5.875 1.00 0.00 C ATOM 587 O ASP A 570 9.600 -2.278 5.295 1.00 0.00 O ATOM 588 CB ASP A 570 12.378 -0.940 6.569 1.00 0.00 C ATOM 589 CG ASP A 570 12.885 -1.604 7.835 1.00 0.00 C ATOM 590 OD1 ASP A 570 12.047 -1.997 8.674 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.118 -1.731 7.987 1.00 0.00 O ATOM 0 H ASP A 570 11.628 -0.325 4.227 1.00 0.00 H new ATOM 0 HA ASP A 570 12.726 -2.737 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.154 -0.288 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.524 -0.308 6.811 1.00 0.00 H new ATOM 596 N GLU A 571 10.676 -3.504 6.847 1.00 0.00 N ATOM 597 CA GLU A 571 9.471 -4.192 7.296 1.00 0.00 C ATOM 598 C GLU A 571 8.501 -3.216 7.955 1.00 0.00 C ATOM 599 O GLU A 571 7.294 -3.276 7.728 1.00 0.00 O ATOM 600 CB GLU A 571 9.831 -5.310 8.276 1.00 0.00 C ATOM 601 CG GLU A 571 10.921 -6.237 7.767 1.00 0.00 C ATOM 602 CD GLU A 571 11.514 -7.099 8.865 1.00 0.00 C ATOM 603 OE1 GLU A 571 10.911 -7.167 9.956 1.00 0.00 O ATOM 604 OE2 GLU A 571 12.581 -7.706 8.632 1.00 0.00 O ATOM 0 H GLU A 571 11.527 -3.779 7.338 1.00 0.00 H new ATOM 0 HA GLU A 571 8.985 -4.627 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.154 -4.866 9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 571 8.937 -5.896 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.512 -6.879 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.712 -5.644 7.309 1.00 0.00 H new ATOM 611 N ASN A 572 9.039 -2.318 8.774 1.00 0.00 N ATOM 612 CA ASN A 572 8.222 -1.329 9.468 1.00 0.00 C ATOM 613 C ASN A 572 7.535 -0.397 8.474 1.00 0.00 C ATOM 614 O ASN A 572 6.537 0.246 8.799 1.00 0.00 O ATOM 615 CB ASN A 572 9.082 -0.514 10.436 1.00 0.00 C ATOM 616 CG ASN A 572 9.692 -1.372 11.528 1.00 0.00 C ATOM 617 OD1 ASN A 572 10.682 -2.070 11.305 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.104 -1.323 12.717 1.00 0.00 N ATOM 0 H ASN A 572 10.037 -2.255 8.973 1.00 0.00 H new ATOM 0 HA ASN A 572 7.455 -1.860 10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.878 -0.017 9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.473 0.268 10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.471 -1.878 13.491 1.00 0.00 H new ATOM 0 HD22 ASN A 572 8.286 -0.731 12.857 1.00 0.00 H new ATOM 625 N ALA A 573 8.075 -0.332 7.261 1.00 0.00 N ATOM 626 CA ALA A 573 7.512 0.519 6.219 1.00 0.00 C ATOM 627 C ALA A 573 6.120 0.045 5.818 1.00 0.00 C ATOM 628 O ALA A 573 5.286 0.839 5.381 1.00 0.00 O ATOM 629 CB ALA A 573 8.433 0.546 5.008 1.00 0.00 C ATOM 0 H ALA A 573 8.901 -0.858 6.976 1.00 0.00 H new ATOM 0 HA ALA A 573 7.422 1.530 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 573 8.002 1.185 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.407 0.938 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.551 -0.465 4.618 1.00 0.00 H new ATOM 635 N VAL A 574 5.873 -1.252 5.968 1.00 0.00 N ATOM 636 CA VAL A 574 4.581 -1.830 5.621 1.00 0.00 C ATOM 637 C VAL A 574 3.738 -2.078 6.867 1.00 0.00 C ATOM 638 O VAL A 574 4.119 -2.857 7.743 1.00 0.00 O ATOM 639 CB VAL A 574 4.746 -3.155 4.855 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.389 -3.733 4.486 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.602 -2.949 3.613 1.00 0.00 C ATOM 0 H VAL A 574 6.552 -1.923 6.328 1.00 0.00 H new ATOM 0 HA VAL A 574 4.074 -1.109 4.980 1.00 0.00 H new ATOM 0 HB VAL A 574 5.253 -3.869 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.527 -4.669 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.814 -3.919 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.852 -3.025 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.708 -3.896 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.125 -2.219 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.587 -2.585 3.906 1.00 0.00 H new ATOM 651 N HIS A 575 2.590 -1.412 6.942 1.00 0.00 N ATOM 652 CA HIS A 575 1.691 -1.561 8.080 1.00 0.00 C ATOM 653 C HIS A 575 0.470 -2.395 7.704 1.00 0.00 C ATOM 654 O HIS A 575 -0.448 -1.908 7.046 1.00 0.00 O ATOM 655 CB HIS A 575 1.249 -0.190 8.591 1.00 0.00 C ATOM 656 CG HIS A 575 2.371 0.634 9.145 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.190 1.594 10.119 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.693 0.636 8.857 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.353 2.151 10.405 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.282 1.587 9.654 1.00 0.00 N ATOM 0 H HIS A 575 2.261 -0.763 6.227 1.00 0.00 H new ATOM 0 HA HIS A 575 2.232 -2.079 8.872 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.776 0.357 7.776 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.493 -0.326 9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.192 0.007 8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.517 2.935 11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.275 1.820 9.664 1.00 0.00 H new ATOM 668 N VAL A 576 0.469 -3.657 8.124 1.00 0.00 N ATOM 669 CA VAL A 576 -0.638 -4.559 7.830 1.00 0.00 C ATOM 670 C VAL A 576 -1.811 -4.312 8.773 1.00 0.00 C ATOM 671 O VAL A 576 -1.624 -4.086 9.969 1.00 0.00 O ATOM 672 CB VAL A 576 -0.206 -6.033 7.941 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.382 -6.956 7.665 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.945 -6.322 6.989 1.00 0.00 C ATOM 0 H VAL A 576 1.222 -4.077 8.669 1.00 0.00 H new ATOM 0 HA VAL A 576 -0.949 -4.356 6.805 1.00 0.00 H new ATOM 0 HB VAL A 576 0.138 -6.218 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.058 -7.993 7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.173 -6.764 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.760 -6.773 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.238 -7.368 7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.630 -6.121 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.793 -5.684 7.239 1.00 0.00 H new ATOM 684 N LEU A 577 -3.022 -4.360 8.227 1.00 0.00 N ATOM 685 CA LEU A 577 -4.227 -4.143 9.019 1.00 0.00 C ATOM 686 C LEU A 577 -4.701 -5.445 9.657 1.00 0.00 C ATOM 687 O LEU A 577 -4.361 -6.535 9.195 1.00 0.00 O ATOM 688 CB LEU A 577 -5.336 -3.557 8.144 1.00 0.00 C ATOM 689 CG LEU A 577 -5.238 -2.060 7.849 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.337 -1.631 6.890 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.310 -1.256 9.139 1.00 0.00 C ATOM 0 H LEU A 577 -3.195 -4.547 7.239 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.988 -3.437 9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.345 -4.094 7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.293 -3.750 8.628 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.275 -1.865 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.251 -0.563 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.239 -2.182 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.310 -1.840 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.239 -0.193 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.257 -1.456 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.486 -1.542 9.793 1.00 0.00 H new ATOM 809 N GLY A 586 -7.665 -7.660 4.802 1.00 0.00 N ATOM 810 CA GLY A 586 -6.882 -7.891 3.603 1.00 0.00 C ATOM 811 C GLY A 586 -6.391 -6.601 2.975 1.00 0.00 C ATOM 812 O GLY A 586 -6.671 -6.325 1.808 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.027 -8.522 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.485 -8.438 2.878 1.00 0.00 H new ATOM 816 N GLN A 587 -5.657 -5.809 3.750 1.00 0.00 N ATOM 817 CA GLN A 587 -5.129 -4.541 3.263 1.00 0.00 C ATOM 818 C GLN A 587 -3.852 -4.162 4.006 1.00 0.00 C ATOM 819 O GLN A 587 -3.633 -4.588 5.140 1.00 0.00 O ATOM 820 CB GLN A 587 -6.173 -3.435 3.422 1.00 0.00 C ATOM 821 CG GLN A 587 -7.457 -3.694 2.651 1.00 0.00 C ATOM 822 CD GLN A 587 -8.557 -2.712 3.003 1.00 0.00 C ATOM 823 OE1 GLN A 587 -9.743 -3.030 2.905 1.00 0.00 O ATOM 824 NE2 GLN A 587 -8.169 -1.510 3.413 1.00 0.00 N ATOM 0 H GLN A 587 -5.415 -6.023 4.717 1.00 0.00 H new ATOM 0 HA GLN A 587 -4.892 -4.657 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.411 -3.321 4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.743 -2.491 3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.252 -3.637 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -7.801 -4.708 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -7.175 -1.290 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -8.865 -0.807 3.662 1.00 0.00 H new ATOM 833 N ALA A 588 -3.012 -3.361 3.360 1.00 0.00 N ATOM 834 CA ALA A 588 -1.758 -2.923 3.960 1.00 0.00 C ATOM 835 C ALA A 588 -1.292 -1.601 3.358 1.00 0.00 C ATOM 836 O ALA A 588 -1.540 -1.320 2.185 1.00 0.00 O ATOM 837 CB ALA A 588 -0.688 -3.990 3.785 1.00 0.00 C ATOM 0 H ALA A 588 -3.177 -3.002 2.420 1.00 0.00 H new ATOM 0 HA ALA A 588 -1.930 -2.767 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.243 -3.649 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.011 -4.912 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.528 -4.175 2.723 1.00 0.00 H new ATOM 843 N LEU A 589 -0.617 -0.793 4.169 1.00 0.00 N ATOM 844 CA LEU A 589 -0.118 0.501 3.716 1.00 0.00 C ATOM 845 C LEU A 589 1.407 0.540 3.758 1.00 0.00 C ATOM 846 O LEU A 589 2.014 0.347 4.812 1.00 0.00 O ATOM 847 CB LEU A 589 -0.693 1.623 4.581 1.00 0.00 C ATOM 848 CG LEU A 589 -2.186 1.904 4.410 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.709 2.738 5.570 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.447 2.607 3.085 1.00 0.00 C ATOM 0 H LEU A 589 -0.403 -1.011 5.142 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.439 0.647 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.507 1.380 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 589 -0.144 2.539 4.364 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.717 0.952 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.773 2.928 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.556 2.198 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -2.173 3.686 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.515 2.800 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.904 3.552 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.110 1.974 2.264 1.00 0.00 H new ATOM 862 N VAL A 590 2.020 0.795 2.607 1.00 0.00 N ATOM 863 CA VAL A 590 3.473 0.864 2.513 1.00 0.00 C ATOM 864 C VAL A 590 3.954 2.310 2.490 1.00 0.00 C ATOM 865 O VAL A 590 3.397 3.147 1.781 1.00 0.00 O ATOM 866 CB VAL A 590 3.989 0.142 1.254 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.500 -0.017 1.311 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.308 -1.210 1.097 1.00 0.00 C ATOM 0 H VAL A 590 1.533 0.957 1.726 1.00 0.00 H new ATOM 0 HA VAL A 590 3.871 0.366 3.397 1.00 0.00 H new ATOM 0 HB VAL A 590 3.744 0.750 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.846 -0.529 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.967 0.966 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.771 -0.602 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.685 -1.706 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.519 -1.827 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.231 -1.067 1.006 1.00 0.00 H new ATOM 878 N GLN A 591 4.992 2.595 3.269 1.00 0.00 N ATOM 879 CA GLN A 591 5.548 3.941 3.338 1.00 0.00 C ATOM 880 C GLN A 591 6.993 3.958 2.851 1.00 0.00 C ATOM 881 O GLN A 591 7.873 3.352 3.463 1.00 0.00 O ATOM 882 CB GLN A 591 5.474 4.474 4.770 1.00 0.00 C ATOM 883 CG GLN A 591 5.985 5.898 4.916 1.00 0.00 C ATOM 884 CD GLN A 591 6.289 6.264 6.356 1.00 0.00 C ATOM 885 OE1 GLN A 591 5.691 5.722 7.286 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.225 7.187 6.547 1.00 0.00 N ATOM 0 H GLN A 591 5.465 1.912 3.861 1.00 0.00 H new ATOM 0 HA GLN A 591 4.956 4.585 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.440 4.431 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.053 3.820 5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.887 6.020 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.242 6.589 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.695 7.610 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.474 7.473 7.494 1.00 0.00 H new ATOM 895 N PHE A 592 7.231 4.656 1.746 1.00 0.00 N ATOM 896 CA PHE A 592 8.571 4.752 1.175 1.00 0.00 C ATOM 897 C PHE A 592 9.210 6.096 1.510 1.00 0.00 C ATOM 898 O PHE A 592 8.542 7.014 1.987 1.00 0.00 O ATOM 899 CB PHE A 592 8.517 4.564 -0.342 1.00 0.00 C ATOM 900 CG PHE A 592 7.949 3.237 -0.762 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.663 2.068 -0.556 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.704 3.160 -1.362 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.144 0.845 -0.940 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.180 1.941 -1.749 1.00 0.00 C ATOM 905 CZ PHE A 592 6.902 0.783 -1.538 1.00 0.00 C ATOM 0 H PHE A 592 6.514 5.164 1.227 1.00 0.00 H new ATOM 0 HA PHE A 592 9.182 3.961 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.916 5.362 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.523 4.665 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.636 2.112 -0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.136 4.063 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.710 -0.060 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.207 1.894 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.495 -0.170 -1.841 1.00 0.00 H new ATOM 915 N LYS A 593 10.509 6.206 1.256 1.00 0.00 N ATOM 916 CA LYS A 593 11.241 7.438 1.529 1.00 0.00 C ATOM 917 C LYS A 593 10.940 8.495 0.471 1.00 0.00 C ATOM 918 O LYS A 593 10.495 9.597 0.791 1.00 0.00 O ATOM 919 CB LYS A 593 12.746 7.161 1.574 1.00 0.00 C ATOM 920 CG LYS A 593 13.154 6.199 2.676 1.00 0.00 C ATOM 921 CD LYS A 593 14.663 6.162 2.853 1.00 0.00 C ATOM 922 CE LYS A 593 15.309 5.149 1.920 1.00 0.00 C ATOM 923 NZ LYS A 593 15.536 5.713 0.561 1.00 0.00 N ATOM 0 H LYS A 593 11.077 5.457 0.861 1.00 0.00 H new ATOM 0 HA LYS A 593 10.918 7.817 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.061 6.754 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.277 8.103 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.684 6.497 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.790 5.199 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 593 15.077 7.152 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 593 14.903 5.911 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 593 16.260 4.822 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.673 4.267 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 16.379 5.274 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 14.708 5.519 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 15.679 6.741 0.631 1.00 0.00 H new ATOM 937 N ASN A 594 11.183 8.151 -0.789 1.00 0.00 N ATOM 938 CA ASN A 594 10.937 9.072 -1.894 1.00 0.00 C ATOM 939 C ASN A 594 10.176 8.377 -3.020 1.00 0.00 C ATOM 940 O ASN A 594 10.018 7.157 -3.015 1.00 0.00 O ATOM 941 CB ASN A 594 12.259 9.629 -2.425 1.00 0.00 C ATOM 942 CG ASN A 594 12.849 10.684 -1.510 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.145 11.577 -1.037 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.149 10.588 -1.257 1.00 0.00 N ATOM 0 H ASN A 594 11.550 7.242 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 594 10.328 9.895 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.973 8.814 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.099 10.058 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.602 11.271 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.694 9.832 -1.670 1.00 0.00 H new ATOM 951 N GLU A 595 9.707 9.166 -3.983 1.00 0.00 N ATOM 952 CA GLU A 595 8.963 8.626 -5.115 1.00 0.00 C ATOM 953 C GLU A 595 9.809 7.624 -5.895 1.00 0.00 C ATOM 954 O GLU A 595 9.279 6.755 -6.587 1.00 0.00 O ATOM 955 CB GLU A 595 8.510 9.757 -6.041 1.00 0.00 C ATOM 956 CG GLU A 595 7.574 10.751 -5.374 1.00 0.00 C ATOM 957 CD GLU A 595 6.881 11.659 -6.371 1.00 0.00 C ATOM 958 OE1 GLU A 595 6.552 11.182 -7.477 1.00 0.00 O ATOM 959 OE2 GLU A 595 6.666 12.846 -6.046 1.00 0.00 O ATOM 0 H GLU A 595 9.829 10.179 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 595 8.085 8.109 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.388 10.288 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.011 9.327 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 595 6.823 10.208 -4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.139 11.358 -4.667 1.00 0.00 H new ATOM 966 N ASP A 596 11.126 7.753 -5.778 1.00 0.00 N ATOM 967 CA ASP A 596 12.046 6.859 -6.470 1.00 0.00 C ATOM 968 C ASP A 596 11.700 5.400 -6.192 1.00 0.00 C ATOM 969 O ASP A 596 11.898 4.532 -7.042 1.00 0.00 O ATOM 970 CB ASP A 596 13.487 7.145 -6.044 1.00 0.00 C ATOM 971 CG ASP A 596 13.817 8.625 -6.071 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.395 9.309 -7.027 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.496 9.098 -5.137 1.00 0.00 O ATOM 0 H ASP A 596 11.580 8.468 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 596 11.950 7.038 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.649 6.758 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 596 14.171 6.611 -6.704 1.00 0.00 H new ATOM 978 N ASP A 597 11.183 5.138 -4.997 1.00 0.00 N ATOM 979 CA ASP A 597 10.809 3.784 -4.606 1.00 0.00 C ATOM 980 C ASP A 597 9.321 3.542 -4.840 1.00 0.00 C ATOM 981 O ASP A 597 8.891 2.407 -5.039 1.00 0.00 O ATOM 982 CB ASP A 597 11.152 3.542 -3.135 1.00 0.00 C ATOM 983 CG ASP A 597 12.647 3.467 -2.894 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.272 4.532 -2.706 1.00 0.00 O ATOM 985 OD2 ASP A 597 13.192 2.343 -2.892 1.00 0.00 O ATOM 0 H ASP A 597 11.013 5.845 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 597 11.374 3.085 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.729 4.344 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.687 2.613 -2.804 1.00 0.00 H new ATOM 990 N ALA A 598 8.541 4.617 -4.815 1.00 0.00 N ATOM 991 CA ALA A 598 7.102 4.521 -5.026 1.00 0.00 C ATOM 992 C ALA A 598 6.780 4.199 -6.481 1.00 0.00 C ATOM 993 O ALA A 598 6.099 3.217 -6.773 1.00 0.00 O ATOM 994 CB ALA A 598 6.420 5.816 -4.607 1.00 0.00 C ATOM 0 H ALA A 598 8.881 5.564 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 598 6.723 3.706 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.346 5.731 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.613 6.004 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.812 6.642 -5.200 1.00 0.00 H new ATOM 1000 N ARG A 599 7.274 5.035 -7.390 1.00 0.00 N ATOM 1001 CA ARG A 599 7.036 4.839 -8.815 1.00 0.00 C ATOM 1002 C ARG A 599 7.311 3.393 -9.218 1.00 0.00 C ATOM 1003 O ARG A 599 6.752 2.892 -10.195 1.00 0.00 O ATOM 1004 CB ARG A 599 7.918 5.783 -9.635 1.00 0.00 C ATOM 1005 CG ARG A 599 9.296 5.220 -9.938 1.00 0.00 C ATOM 1006 CD ARG A 599 9.305 4.441 -11.244 1.00 0.00 C ATOM 1007 NE ARG A 599 10.484 3.588 -11.364 1.00 0.00 N ATOM 1008 CZ ARG A 599 10.708 2.785 -12.399 1.00 0.00 C ATOM 1009 NH1 ARG A 599 9.837 2.727 -13.397 1.00 0.00 N ATOM 1010 NH2 ARG A 599 11.805 2.039 -12.436 1.00 0.00 N ATOM 0 H ARG A 599 7.840 5.853 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 599 5.988 5.062 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 599 7.414 6.013 -10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.030 6.723 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 599 10.019 6.034 -9.994 1.00 0.00 H new ATOM 0 HG3 ARG A 599 9.612 4.569 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 599 8.406 3.828 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 599 9.275 5.138 -12.082 1.00 0.00 H new ATOM 0 HE ARG A 599 11.173 3.610 -10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 599 8.993 3.299 -13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 599 10.011 2.110 -14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 599 12.477 2.082 -11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 599 11.976 1.423 -13.231 1.00 0.00 H new ATOM 1024 N LYS A 600 8.174 2.727 -8.461 1.00 0.00 N ATOM 1025 CA LYS A 600 8.523 1.338 -8.738 1.00 0.00 C ATOM 1026 C LYS A 600 7.497 0.388 -8.131 1.00 0.00 C ATOM 1027 O LYS A 600 7.113 -0.605 -8.749 1.00 0.00 O ATOM 1028 CB LYS A 600 9.916 1.021 -8.187 1.00 0.00 C ATOM 1029 CG LYS A 600 11.018 1.873 -8.791 1.00 0.00 C ATOM 1030 CD LYS A 600 12.277 1.841 -7.942 1.00 0.00 C ATOM 1031 CE LYS A 600 13.205 0.711 -8.363 1.00 0.00 C ATOM 1032 NZ LYS A 600 12.779 -0.597 -7.793 1.00 0.00 N ATOM 0 H LYS A 600 8.646 3.126 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 600 8.526 1.199 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.911 1.162 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 600 10.139 -0.030 -8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 600 11.246 1.516 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.671 2.902 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.800 2.794 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.007 1.720 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.225 0.644 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 600 14.221 0.935 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.601 -1.231 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.379 -0.449 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 12.059 -1.026 -8.409 1.00 0.00 H new ATOM 1046 N SER A 601 7.053 0.699 -6.916 1.00 0.00 N ATOM 1047 CA SER A 601 6.072 -0.129 -6.226 1.00 0.00 C ATOM 1048 C SER A 601 4.724 -0.085 -6.940 1.00 0.00 C ATOM 1049 O SER A 601 3.985 -1.068 -6.951 1.00 0.00 O ATOM 1050 CB SER A 601 5.909 0.339 -4.778 1.00 0.00 C ATOM 1051 OG SER A 601 5.130 1.520 -4.707 1.00 0.00 O ATOM 0 H SER A 601 7.358 1.518 -6.390 1.00 0.00 H new ATOM 0 HA SER A 601 6.433 -1.158 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 601 5.437 -0.448 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.890 0.520 -4.339 1.00 0.00 H new ATOM 0 HG SER A 601 5.423 2.147 -5.401 1.00 0.00 H new ATOM 1057 N GLU A 602 4.414 1.062 -7.534 1.00 0.00 N ATOM 1058 CA GLU A 602 3.156 1.235 -8.252 1.00 0.00 C ATOM 1059 C GLU A 602 3.190 0.509 -9.593 1.00 0.00 C ATOM 1060 O GLU A 602 2.169 0.382 -10.269 1.00 0.00 O ATOM 1061 CB GLU A 602 2.867 2.722 -8.471 1.00 0.00 C ATOM 1062 CG GLU A 602 3.876 3.410 -9.373 1.00 0.00 C ATOM 1063 CD GLU A 602 3.712 3.027 -10.831 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.582 3.137 -11.350 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.715 2.617 -11.452 1.00 0.00 O ATOM 0 H GLU A 602 5.016 1.886 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 602 2.360 0.804 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.872 2.831 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.852 3.227 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.772 4.490 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.884 3.155 -9.045 1.00 0.00 H new ATOM 1072 N ARG A 603 4.372 0.035 -9.973 1.00 0.00 N ATOM 1073 CA ARG A 603 4.541 -0.676 -11.234 1.00 0.00 C ATOM 1074 C ARG A 603 3.953 -2.081 -11.150 1.00 0.00 C ATOM 1075 O ARG A 603 3.679 -2.714 -12.170 1.00 0.00 O ATOM 1076 CB ARG A 603 6.023 -0.754 -11.607 1.00 0.00 C ATOM 1077 CG ARG A 603 6.292 -1.559 -12.867 1.00 0.00 C ATOM 1078 CD ARG A 603 7.783 -1.666 -13.152 1.00 0.00 C ATOM 1079 NE ARG A 603 8.082 -2.728 -14.108 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.925 -2.600 -15.421 1.00 0.00 C ATOM 1081 NH1 ARG A 603 7.474 -1.463 -15.930 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.219 -3.613 -16.227 1.00 0.00 N ATOM 0 H ARG A 603 5.227 0.131 -9.425 1.00 0.00 H new ATOM 0 HA ARG A 603 4.007 -0.123 -12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.409 0.257 -11.742 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.575 -1.197 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.868 -2.558 -12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.791 -1.090 -13.714 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.147 -0.715 -13.541 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.317 -1.855 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 603 8.430 -3.617 -13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 603 7.246 -0.683 -15.313 1.00 0.00 H new ATOM 0 HH12 ARG A 603 7.354 -1.368 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.566 -4.490 -15.838 1.00 0.00 H new ATOM 0 HH22 ARG A 603 8.098 -3.514 -17.235 1.00 0.00 H new ATOM 1096 N LEU A 604 3.760 -2.564 -9.927 1.00 0.00 N ATOM 1097 CA LEU A 604 3.205 -3.894 -9.707 1.00 0.00 C ATOM 1098 C LEU A 604 1.683 -3.841 -9.613 1.00 0.00 C ATOM 1099 O LEU A 604 1.039 -4.818 -9.230 1.00 0.00 O ATOM 1100 CB LEU A 604 3.784 -4.506 -8.431 1.00 0.00 C ATOM 1101 CG LEU A 604 5.291 -4.763 -8.434 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.767 -5.165 -7.046 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.647 -5.836 -9.453 1.00 0.00 C ATOM 0 H LEU A 604 3.980 -2.053 -9.072 1.00 0.00 H new ATOM 0 HA LEU A 604 3.477 -4.518 -10.558 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.550 -3.845 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.275 -5.451 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 604 5.797 -3.840 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.842 -5.344 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.546 -4.365 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.254 -6.075 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.724 -6.006 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.131 -6.762 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.342 -5.509 -10.447 1.00 0.00 H new ATOM 1115 N HIS A 605 1.113 -2.692 -9.968 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.333 -2.512 -9.926 1.00 0.00 C ATOM 1117 C HIS A 605 -1.040 -3.601 -10.727 1.00 0.00 C ATOM 1118 O HIS A 605 -0.508 -4.099 -11.720 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.713 -1.135 -10.472 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.190 -0.890 -10.503 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -2.996 -1.011 -9.391 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.006 -0.524 -11.520 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.245 -0.734 -9.723 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.277 -0.435 -11.010 1.00 0.00 N ATOM 0 H HIS A 605 1.631 -1.873 -10.287 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.653 -2.584 -8.886 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.238 -0.367 -9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.314 -1.031 -11.481 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.711 -0.337 -12.542 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.095 -0.749 -9.056 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.111 -0.180 -11.539 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.239 -3.968 -10.290 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.018 -5.000 -10.964 1.00 0.00 C ATOM 1134 C ARG A 606 -2.210 -6.287 -11.100 1.00 0.00 C ATOM 1135 O ARG A 606 -2.164 -6.894 -12.171 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.459 -4.513 -12.346 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.523 -3.428 -12.298 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.557 -2.626 -13.589 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.010 -3.429 -14.722 1.00 0.00 N ATOM 1140 CZ ARG A 606 -6.290 -3.662 -14.992 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -7.238 -3.155 -14.216 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -6.624 -4.403 -16.040 1.00 0.00 N ATOM 0 H ARG A 606 -2.694 -3.565 -9.470 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.901 -5.208 -10.360 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.589 -4.134 -12.883 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.841 -5.360 -12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.499 -3.881 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.327 -2.761 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.218 -1.768 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -3.562 -2.234 -13.798 1.00 0.00 H new ATOM 0 HE ARG A 606 -4.306 -3.833 -15.339 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -6.986 -2.584 -13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -8.220 -3.336 -14.426 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -5.898 -4.795 -16.640 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -7.607 -4.581 -16.246 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.575 -6.700 -10.008 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.770 -7.915 -10.004 1.00 0.00 C ATOM 1158 C LYS A 607 -1.513 -9.058 -9.319 1.00 0.00 C ATOM 1159 O LYS A 607 -2.422 -8.830 -8.520 1.00 0.00 O ATOM 1160 CB LYS A 607 0.564 -7.665 -9.299 1.00 0.00 C ATOM 1161 CG LYS A 607 1.659 -7.166 -10.227 1.00 0.00 C ATOM 1162 CD LYS A 607 2.307 -8.308 -10.989 1.00 0.00 C ATOM 1163 CE LYS A 607 3.451 -7.816 -11.862 1.00 0.00 C ATOM 1164 NZ LYS A 607 2.999 -6.796 -12.848 1.00 0.00 N ATOM 0 H LYS A 607 -1.603 -6.210 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.579 -8.198 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.414 -6.936 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.894 -8.590 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.240 -6.448 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.416 -6.638 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.679 -9.052 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.560 -8.803 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.232 -7.390 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 607 3.893 -8.660 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 3.749 -6.636 -13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 2.141 -7.134 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 2.791 -5.904 -12.355 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.121 -10.287 -9.635 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.747 -11.466 -9.048 1.00 0.00 C ATOM 1180 C LYS A 608 -0.947 -11.968 -7.850 1.00 0.00 C ATOM 1181 O LYS A 608 0.221 -12.335 -7.981 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.870 -12.577 -10.094 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.833 -12.247 -11.222 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.917 -13.378 -12.232 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.979 -13.106 -13.287 1.00 0.00 C ATOM 1186 NZ LYS A 608 -5.344 -13.453 -12.802 1.00 0.00 N ATOM 0 H LYS A 608 -0.371 -10.493 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.743 -11.185 -8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.885 -12.778 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.199 -13.492 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.823 -12.051 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.509 -11.334 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.948 -13.509 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.145 -14.311 -11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.950 -12.053 -13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.755 -13.682 -14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -6.039 -13.253 -13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -5.379 -14.463 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -5.568 -12.885 -11.960 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.583 -11.981 -6.685 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.931 -12.438 -5.462 1.00 0.00 C ATOM 1202 C LEU A 609 -1.657 -13.646 -4.878 1.00 0.00 C ATOM 1203 O LEU A 609 -2.787 -13.534 -4.404 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.884 -11.309 -4.432 1.00 0.00 C ATOM 1205 CG LEU A 609 0.070 -11.514 -3.255 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.216 -10.506 -2.153 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.038 -12.935 -2.722 1.00 0.00 C ATOM 0 H LEU A 609 -2.550 -11.680 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 609 0.088 -12.735 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.605 -10.388 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.889 -11.162 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 609 1.089 -11.356 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.473 -10.668 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -0.086 -9.496 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.241 -10.631 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.648 -13.063 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.058 -13.121 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 609 0.219 -13.640 -3.512 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.999 -14.800 -4.913 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.580 -16.028 -4.384 1.00 0.00 C ATOM 1221 C ASN A 610 -2.848 -16.401 -5.148 1.00 0.00 C ATOM 1222 O ASN A 610 -3.792 -16.945 -4.575 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.896 -15.869 -2.896 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.718 -16.231 -2.013 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.426 -16.262 -2.467 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.992 -16.507 -0.743 1.00 0.00 N ATOM 0 H ASN A 610 -0.063 -14.910 -5.302 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.851 -16.829 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.192 -14.839 -2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.747 -16.500 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.239 -16.757 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.955 -16.469 -0.409 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.862 -16.104 -6.443 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.018 -16.416 -7.263 1.00 0.00 C ATOM 1235 C GLY A 611 -5.155 -15.434 -7.058 1.00 0.00 C ATOM 1236 O GLY A 611 -6.295 -15.707 -7.437 1.00 0.00 O ATOM 0 H GLY A 611 -2.094 -15.653 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.726 -16.415 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.365 -17.423 -7.029 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.847 -14.290 -6.457 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.853 -13.266 -6.199 1.00 0.00 C ATOM 1242 C ARG A 612 -5.383 -11.904 -6.700 1.00 0.00 C ATOM 1243 O ARG A 612 -4.293 -11.449 -6.356 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.164 -13.192 -4.703 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.295 -14.112 -4.270 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.911 -13.657 -2.957 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.710 -14.708 -2.334 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.895 -15.098 -2.789 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.416 -14.528 -3.866 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.561 -16.062 -2.167 1.00 0.00 N ATOM 0 H ARG A 612 -3.908 -14.048 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.760 -13.539 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.265 -13.445 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.423 -12.165 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.062 -14.136 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.918 -15.129 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.120 -13.349 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.537 -12.783 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.337 -15.168 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.907 -13.787 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.326 -14.830 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.163 -16.504 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.471 -16.361 -2.517 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.212 -11.261 -7.516 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.880 -9.952 -8.066 1.00 0.00 C ATOM 1266 C GLU A 613 -5.623 -8.943 -6.950 1.00 0.00 C ATOM 1267 O GLU A 613 -6.320 -8.932 -5.936 1.00 0.00 O ATOM 1268 CB GLU A 613 -7.009 -9.451 -8.970 1.00 0.00 C ATOM 1269 CG GLU A 613 -7.242 -10.326 -10.191 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.229 -11.447 -9.926 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -9.409 -11.146 -9.655 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -7.818 -12.624 -9.991 1.00 0.00 O ATOM 0 H GLU A 613 -7.118 -11.625 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.970 -10.056 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.931 -9.397 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.778 -8.437 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -7.610 -9.709 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.292 -10.752 -10.515 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.616 -8.097 -7.145 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.267 -7.084 -6.157 1.00 0.00 C ATOM 1281 C ALA A 614 -4.229 -5.695 -6.785 1.00 0.00 C ATOM 1282 O ALA A 614 -3.776 -5.526 -7.917 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.928 -7.411 -5.515 1.00 0.00 C ATOM 0 H ALA A 614 -4.028 -8.094 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.037 -7.085 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.681 -6.646 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.988 -8.382 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.154 -7.440 -6.282 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.708 -4.702 -6.043 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.731 -3.327 -6.529 1.00 0.00 C ATOM 1291 C PHE A 615 -3.868 -2.426 -5.650 1.00 0.00 C ATOM 1292 O PHE A 615 -4.057 -2.358 -4.436 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.167 -2.800 -6.564 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.042 -3.508 -7.559 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.743 -4.647 -7.197 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -7.162 -3.035 -8.856 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -8.548 -5.301 -8.110 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -7.967 -3.684 -9.772 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.660 -4.819 -9.400 1.00 0.00 C ATOM 0 H PHE A 615 -5.085 -4.824 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.323 -3.318 -7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.606 -2.899 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.149 -1.736 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -7.659 -5.028 -6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -6.620 -2.149 -9.154 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -9.089 -6.188 -7.816 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -8.054 -3.304 -10.779 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.288 -5.329 -10.116 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.918 -1.737 -6.275 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.024 -0.839 -5.551 1.00 0.00 C ATOM 1311 C VAL A 616 -2.264 0.613 -5.950 1.00 0.00 C ATOM 1312 O VAL A 616 -2.021 1.003 -7.093 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.547 -1.192 -5.805 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.363 -0.344 -4.931 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.305 -2.674 -5.560 1.00 0.00 C ATOM 0 H VAL A 616 -2.747 -1.783 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.242 -0.963 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.314 -0.976 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.403 -0.608 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.208 0.710 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.132 -0.526 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.744 -2.907 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.555 -2.918 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.930 -3.261 -6.233 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.742 1.411 -5.000 1.00 0.00 N ATOM 1326 CA HIS A 617 -3.013 2.822 -5.252 1.00 0.00 C ATOM 1327 C HIS A 617 -1.975 3.705 -4.565 1.00 0.00 C ATOM 1328 O HIS A 617 -1.674 3.524 -3.385 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.415 3.188 -4.764 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.509 2.697 -5.662 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.042 1.429 -5.572 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.170 3.312 -6.669 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.984 1.285 -6.488 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.082 2.413 -7.166 1.00 0.00 N ATOM 0 H HIS A 617 -2.949 1.105 -4.049 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.955 2.992 -6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.563 2.775 -3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.488 4.272 -4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.011 4.322 -7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.573 0.395 -6.653 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.730 2.589 -7.934 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.432 4.662 -5.312 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.429 5.574 -4.775 1.00 0.00 C ATOM 1344 C VAL A 618 -1.080 6.812 -4.170 1.00 0.00 C ATOM 1345 O VAL A 618 -1.890 7.478 -4.813 1.00 0.00 O ATOM 1346 CB VAL A 618 0.570 6.012 -5.863 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.438 7.156 -5.361 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.428 4.835 -6.303 1.00 0.00 C ATOM 0 H VAL A 618 -1.670 4.825 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 618 0.107 5.032 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 618 0.008 6.366 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.137 7.452 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 618 0.806 8.005 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 618 1.993 6.832 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.128 5.162 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.983 4.449 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.789 4.049 -6.705 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.719 7.116 -2.927 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.266 8.275 -2.233 1.00 0.00 C ATOM 1360 C VAL A 619 -0.198 8.969 -1.396 1.00 0.00 C ATOM 1361 O VAL A 619 0.862 8.402 -1.125 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.443 7.881 -1.321 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.575 7.282 -2.141 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.980 6.910 -0.246 1.00 0.00 C ATOM 0 H VAL A 619 -0.049 6.575 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.625 8.962 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.818 8.779 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.398 7.009 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.922 8.013 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.217 6.393 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.824 6.642 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.579 6.012 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -1.205 7.380 0.359 1.00 0.00 H new ATOM 1374 N THR A 620 -0.483 10.201 -0.985 1.00 0.00 N ATOM 1375 CA THR A 620 0.453 10.974 -0.178 1.00 0.00 C ATOM 1376 C THR A 620 0.491 10.465 1.258 1.00 0.00 C ATOM 1377 O THR A 620 -0.495 9.924 1.763 1.00 0.00 O ATOM 1378 CB THR A 620 0.086 12.470 -0.170 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.235 12.648 0.356 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.161 13.053 -1.573 1.00 0.00 C ATOM 0 H THR A 620 -1.355 10.685 -1.198 1.00 0.00 H new ATOM 0 HA THR A 620 1.437 10.851 -0.631 1.00 0.00 H new ATOM 0 HB THR A 620 0.802 12.994 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.460 13.602 0.359 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.102 14.110 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.174 12.942 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.535 12.525 -2.224 1.00 0.00 H new ATOM 1388 N LEU A 621 1.633 10.639 1.913 1.00 0.00 N ATOM 1389 CA LEU A 621 1.800 10.197 3.293 1.00 0.00 C ATOM 1390 C LEU A 621 0.583 10.568 4.135 1.00 0.00 C ATOM 1391 O LEU A 621 -0.058 9.704 4.732 1.00 0.00 O ATOM 1392 CB LEU A 621 3.061 10.815 3.899 1.00 0.00 C ATOM 1393 CG LEU A 621 3.352 10.454 5.356 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.476 8.947 5.517 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.619 11.148 5.834 1.00 0.00 C ATOM 0 H LEU A 621 2.458 11.084 1.510 1.00 0.00 H new ATOM 0 HA LEU A 621 1.900 9.112 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.916 10.514 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.982 11.900 3.823 1.00 0.00 H new ATOM 0 HG LEU A 621 2.519 10.798 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.683 8.708 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.544 8.471 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 621 4.290 8.580 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.811 10.880 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.461 10.834 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.494 12.228 5.755 1.00 0.00 H new ATOM 1407 N GLU A 622 0.269 11.859 4.174 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.872 12.345 4.942 1.00 0.00 C ATOM 1409 C GLU A 622 -2.053 11.385 4.825 1.00 0.00 C ATOM 1410 O GLU A 622 -2.615 10.950 5.830 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.284 13.737 4.461 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.961 14.576 5.531 1.00 0.00 C ATOM 1413 CD GLU A 622 -0.968 15.280 6.436 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -0.292 16.216 5.959 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -0.864 14.894 7.619 1.00 0.00 O ATOM 0 H GLU A 622 0.788 12.587 3.683 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.574 12.404 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.400 14.265 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.959 13.633 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.602 15.318 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -2.607 13.937 6.134 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.424 11.060 3.592 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.537 10.151 3.343 1.00 0.00 C ATOM 1424 C ASP A 623 -3.319 8.818 4.051 1.00 0.00 C ATOM 1425 O ASP A 623 -4.238 8.271 4.661 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.710 9.922 1.840 1.00 0.00 C ATOM 1427 CG ASP A 623 -5.129 9.535 1.473 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -6.027 10.395 1.587 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -5.342 8.372 1.071 1.00 0.00 O ATOM 0 H ASP A 623 -1.971 11.412 2.749 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.443 10.609 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -3.434 10.829 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.027 9.138 1.514 1.00 0.00 H new ATOM 1434 N MET A 624 -2.099 8.300 3.966 1.00 0.00 N ATOM 1435 CA MET A 624 -1.762 7.031 4.600 1.00 0.00 C ATOM 1436 C MET A 624 -2.010 7.090 6.103 1.00 0.00 C ATOM 1437 O MET A 624 -2.694 6.233 6.663 1.00 0.00 O ATOM 1438 CB MET A 624 -0.299 6.672 4.326 1.00 0.00 C ATOM 1439 CG MET A 624 0.101 5.306 4.857 1.00 0.00 C ATOM 1440 SD MET A 624 0.348 5.300 6.643 1.00 0.00 S ATOM 1441 CE MET A 624 2.027 4.683 6.750 1.00 0.00 C ATOM 0 H MET A 624 -1.327 8.739 3.464 1.00 0.00 H new ATOM 0 HA MET A 624 -2.404 6.260 4.175 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.122 6.701 3.251 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.343 7.430 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.670 4.580 4.598 1.00 0.00 H new ATOM 0 HG3 MET A 624 1.019 4.984 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.283 4.504 7.794 1.00 0.00 H new ATOM 0 HE2 MET A 624 2.108 3.750 6.192 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.712 5.419 6.329 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.450 8.107 6.751 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.610 8.277 8.191 1.00 0.00 C ATOM 1453 C ARG A 625 -3.087 8.283 8.576 1.00 0.00 C ATOM 1454 O ARG A 625 -3.483 7.653 9.556 1.00 0.00 O ATOM 1455 CB ARG A 625 -0.948 9.577 8.649 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.452 9.536 10.086 1.00 0.00 C ATOM 1457 CD ARG A 625 0.971 9.009 10.169 1.00 0.00 C ATOM 1458 NE ARG A 625 1.953 10.025 9.798 1.00 0.00 N ATOM 1459 CZ ARG A 625 2.394 10.960 10.632 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.943 11.009 11.878 1.00 0.00 N ATOM 1461 NH2 ARG A 625 3.288 11.850 10.219 1.00 0.00 N ATOM 0 H ARG A 625 -0.882 8.825 6.302 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.125 7.436 8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.108 9.799 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.661 10.395 8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.496 10.537 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -1.111 8.904 10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 625 1.171 8.664 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 625 1.077 8.146 9.512 1.00 0.00 H new ATOM 0 HE ARG A 625 2.320 10.016 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.255 10.327 12.199 1.00 0.00 H new ATOM 0 HH12 ARG A 625 2.284 11.728 12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 625 3.636 11.816 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 625 3.626 12.568 10.860 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.893 8.998 7.799 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.325 9.085 8.060 1.00 0.00 C ATOM 1477 C GLU A 626 -5.978 7.708 7.982 1.00 0.00 C ATOM 1478 O GLU A 626 -6.696 7.297 8.894 1.00 0.00 O ATOM 1479 CB GLU A 626 -5.991 10.036 7.064 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.021 11.483 7.528 1.00 0.00 C ATOM 1481 CD GLU A 626 -4.784 12.254 7.112 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -3.710 12.015 7.702 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -4.890 13.096 6.196 1.00 0.00 O ATOM 0 H GLU A 626 -3.580 9.525 6.984 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.461 9.475 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.463 9.980 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.012 9.701 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.905 11.973 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.114 11.511 8.614 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.724 7.002 6.885 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.286 5.672 6.687 1.00 0.00 C ATOM 1492 C ILE A 627 -5.840 4.717 7.789 1.00 0.00 C ATOM 1493 O ILE A 627 -6.666 4.148 8.502 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.882 5.087 5.321 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.406 5.971 4.188 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.406 3.666 5.178 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.869 5.590 2.826 1.00 0.00 C ATOM 0 H ILE A 627 -5.133 7.329 6.121 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.370 5.780 6.720 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.794 5.060 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.494 5.916 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.143 7.008 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.113 3.266 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.988 3.043 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.493 3.670 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.283 6.259 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.782 5.673 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -6.155 4.563 2.596 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.528 4.548 7.923 1.00 0.00 N ATOM 1510 CA GLU A 628 -3.973 3.662 8.939 1.00 0.00 C ATOM 1511 C GLU A 628 -4.764 3.763 10.240 1.00 0.00 C ATOM 1512 O GLU A 628 -5.202 2.754 10.795 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.504 4.002 9.196 1.00 0.00 C ATOM 1514 CG GLU A 628 -1.773 2.959 10.023 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.197 2.967 11.480 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.507 4.059 12.000 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -2.218 1.883 12.099 1.00 0.00 O ATOM 0 H GLU A 628 -3.831 5.013 7.341 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.043 2.639 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -1.994 4.118 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.446 4.963 9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -1.957 1.971 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -0.700 3.138 9.960 1.00 0.00 H new ATOM 1524 N LYS A 629 -4.944 4.988 10.724 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.683 5.224 11.958 1.00 0.00 C ATOM 1526 C LYS A 629 -7.149 4.834 11.798 1.00 0.00 C ATOM 1527 O LYS A 629 -7.676 4.034 12.571 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.577 6.695 12.368 1.00 0.00 C ATOM 1529 CG LYS A 629 -4.181 7.106 12.804 1.00 0.00 C ATOM 1530 CD LYS A 629 -4.202 8.409 13.585 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.456 9.600 12.674 1.00 0.00 C ATOM 1532 NZ LYS A 629 -3.208 10.063 12.006 1.00 0.00 N ATOM 0 H LYS A 629 -4.587 5.834 10.279 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.243 4.603 12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -5.886 7.320 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.275 6.887 13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -3.744 6.319 13.419 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -3.543 7.216 11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -4.977 8.363 14.351 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -3.251 8.541 14.101 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -5.193 9.329 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -4.882 10.418 13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.246 11.094 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -2.387 9.819 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -3.118 9.599 11.079 1.00 0.00 H new