USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=12 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= -3.79 K(o=-5.2,f=-3.2) USER MOD Set 1.2: A 587 GLN : amide:sc= -1.36 K(o=-5.2,f=-7.4!) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -109:sc= -1 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.1) USER MOD Single : A 554 SER OG : rot -34:sc= 0.0245 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ -104:sc= -1.14 (180deg=-3.14!) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.82) USER MOD Single : A 572 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 575 HIS : no HE2:sc= 0.351 K(o=0.35,f=-1.6!) USER MOD Single : A 591 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.22) USER MOD Single : A 593 LYS NZ :NH3+ 148:sc= -0.183 (180deg=-1.33!) USER MOD Single : A 594 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -61:sc= 1.26 USER MOD Single : A 605 HIS : no HD1:sc= -2.19! C(o=-2.2!,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= -0.444 K(o=-0.44,f=-1.5) USER MOD Single : A 617 HIS : no HD1:sc=-0.00892 X(o=-0.0089,f=-0.0089) USER MOD Single : A 620 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 624 MET CE :methyl -156:sc= -0.0571 (180deg=-0.327) USER MOD Single : A 629 LYS NZ :NH3+ -163:sc=-0.00649 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.616 15.115 -1.064 1.00 0.00 N ATOM 142 CA ALA A 542 5.074 14.230 -2.129 1.00 0.00 C ATOM 143 C ALA A 542 4.553 12.811 -1.926 1.00 0.00 C ATOM 144 O ALA A 542 4.521 12.304 -0.805 1.00 0.00 O ATOM 145 CB ALA A 542 6.594 14.231 -2.199 1.00 0.00 C ATOM 0 HA ALA A 542 4.677 14.603 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.922 13.566 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.948 15.242 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 542 7.002 13.885 -1.249 1.00 0.00 H new ATOM 151 N LYS A 543 4.143 12.175 -3.019 1.00 0.00 N ATOM 152 CA LYS A 543 3.624 10.814 -2.962 1.00 0.00 C ATOM 153 C LYS A 543 4.734 9.820 -2.642 1.00 0.00 C ATOM 154 O LYS A 543 5.444 9.356 -3.535 1.00 0.00 O ATOM 155 CB LYS A 543 2.961 10.444 -4.291 1.00 0.00 C ATOM 156 CG LYS A 543 1.518 10.906 -4.401 1.00 0.00 C ATOM 157 CD LYS A 543 1.070 10.994 -5.850 1.00 0.00 C ATOM 158 CE LYS A 543 -0.446 11.036 -5.963 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.911 10.677 -7.332 1.00 0.00 N ATOM 0 H LYS A 543 4.160 12.581 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 543 2.881 10.769 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.536 10.880 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.998 9.362 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.871 10.215 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.410 11.881 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.495 11.886 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.454 10.137 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.883 10.348 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.801 12.035 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.950 10.717 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -0.515 11.348 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.594 9.714 -7.565 1.00 0.00 H new ATOM 173 N VAL A 544 4.880 9.494 -1.360 1.00 0.00 N ATOM 174 CA VAL A 544 5.903 8.553 -0.923 1.00 0.00 C ATOM 175 C VAL A 544 5.284 7.377 -0.175 1.00 0.00 C ATOM 176 O VAL A 544 5.931 6.757 0.670 1.00 0.00 O ATOM 177 CB VAL A 544 6.942 9.236 -0.013 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.894 10.090 -0.837 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.249 10.071 1.053 1.00 0.00 C ATOM 0 H VAL A 544 4.302 9.868 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 544 6.401 8.188 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 544 7.526 8.463 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.621 10.565 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.415 9.461 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.329 10.857 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.998 10.546 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.639 10.837 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.613 9.429 1.662 1.00 0.00 H new ATOM 189 N CYS A 545 4.030 7.076 -0.492 1.00 0.00 N ATOM 190 CA CYS A 545 3.322 5.973 0.150 1.00 0.00 C ATOM 191 C CYS A 545 2.427 5.247 -0.848 1.00 0.00 C ATOM 192 O CYS A 545 1.836 5.867 -1.732 1.00 0.00 O ATOM 193 CB CYS A 545 2.486 6.491 1.321 1.00 0.00 C ATOM 194 SG CYS A 545 3.425 6.738 2.847 1.00 0.00 S ATOM 0 H CYS A 545 3.482 7.580 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 545 4.063 5.267 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 545 2.025 7.436 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.677 5.787 1.515 1.00 0.00 H new ATOM 0 HG CYS A 545 3.081 5.837 3.719 1.00 0.00 H new ATOM 200 N ALA A 546 2.335 3.930 -0.702 1.00 0.00 N ATOM 201 CA ALA A 546 1.512 3.118 -1.590 1.00 0.00 C ATOM 202 C ALA A 546 0.601 2.187 -0.797 1.00 0.00 C ATOM 203 O ALA A 546 1.028 1.565 0.175 1.00 0.00 O ATOM 204 CB ALA A 546 2.391 2.318 -2.539 1.00 0.00 C ATOM 0 H ALA A 546 2.820 3.402 0.023 1.00 0.00 H new ATOM 0 HA ALA A 546 0.882 3.788 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.763 1.716 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.995 3.000 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 546 3.046 1.664 -1.964 1.00 0.00 H new ATOM 210 N HIS A 547 -0.656 2.096 -1.219 1.00 0.00 N ATOM 211 CA HIS A 547 -1.628 1.241 -0.547 1.00 0.00 C ATOM 212 C HIS A 547 -1.853 -0.048 -1.333 1.00 0.00 C ATOM 213 O HIS A 547 -1.861 -0.041 -2.565 1.00 0.00 O ATOM 214 CB HIS A 547 -2.955 1.981 -0.369 1.00 0.00 C ATOM 215 CG HIS A 547 -3.945 1.239 0.475 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.309 1.356 0.313 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.762 0.367 1.494 1.00 0.00 C ATOM 218 CE1 HIS A 547 -5.923 0.590 1.195 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.007 -0.023 1.925 1.00 0.00 N ATOM 0 H HIS A 547 -1.025 2.604 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.230 0.983 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.761 2.954 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.393 2.167 -1.350 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.772 1.943 -0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.814 0.039 1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -6.992 0.482 1.302 1.00 0.00 H new ATOM 227 N ILE A 548 -2.034 -1.151 -0.615 1.00 0.00 N ATOM 228 CA ILE A 548 -2.259 -2.445 -1.245 1.00 0.00 C ATOM 229 C ILE A 548 -3.591 -3.045 -0.810 1.00 0.00 C ATOM 230 O ILE A 548 -3.798 -3.337 0.368 1.00 0.00 O ATOM 231 CB ILE A 548 -1.128 -3.437 -0.913 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.226 -2.857 -1.326 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.374 -4.769 -1.604 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.405 -3.602 -0.740 1.00 0.00 C ATOM 0 H ILE A 548 -2.029 -1.174 0.405 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.276 -2.273 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.116 -3.605 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.302 -2.870 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.275 -1.813 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.567 -5.460 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.323 -5.185 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.409 -4.618 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.332 -3.137 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.353 -3.567 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.380 -4.640 -1.071 1.00 0.00 H new ATOM 246 N THR A 549 -4.494 -3.228 -1.769 1.00 0.00 N ATOM 247 CA THR A 549 -5.806 -3.794 -1.485 1.00 0.00 C ATOM 248 C THR A 549 -6.078 -5.016 -2.356 1.00 0.00 C ATOM 249 O THR A 549 -5.242 -5.408 -3.169 1.00 0.00 O ATOM 250 CB THR A 549 -6.924 -2.759 -1.709 1.00 0.00 C ATOM 251 OG1 THR A 549 -6.862 -2.252 -3.046 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.804 -1.610 -0.720 1.00 0.00 C ATOM 0 H THR A 549 -4.340 -2.992 -2.749 1.00 0.00 H new ATOM 0 HA THR A 549 -5.802 -4.092 -0.437 1.00 0.00 H new ATOM 0 HB THR A 549 -7.883 -3.254 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.577 -1.596 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.604 -0.892 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.882 -1.995 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.840 -1.118 -0.849 1.00 0.00 H new ATOM 260 N ASN A 550 -7.253 -5.611 -2.180 1.00 0.00 N ATOM 261 CA ASN A 550 -7.634 -6.789 -2.951 1.00 0.00 C ATOM 262 C ASN A 550 -6.610 -7.907 -2.781 1.00 0.00 C ATOM 263 O ASN A 550 -6.157 -8.502 -3.760 1.00 0.00 O ATOM 264 CB ASN A 550 -7.775 -6.431 -4.432 1.00 0.00 C ATOM 265 CG ASN A 550 -9.166 -5.938 -4.778 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.632 -4.934 -4.240 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.838 -6.644 -5.681 1.00 0.00 N ATOM 0 H ASN A 550 -7.957 -5.298 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.595 -7.142 -2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -7.046 -5.662 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.542 -7.306 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.779 -6.360 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.413 -7.470 -6.102 1.00 0.00 H new ATOM 274 N ILE A 551 -6.250 -8.186 -1.533 1.00 0.00 N ATOM 275 CA ILE A 551 -5.280 -9.233 -1.234 1.00 0.00 C ATOM 276 C ILE A 551 -5.818 -10.198 -0.183 1.00 0.00 C ATOM 277 O ILE A 551 -6.524 -9.810 0.748 1.00 0.00 O ATOM 278 CB ILE A 551 -3.947 -8.641 -0.739 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.203 -7.593 0.346 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.174 -8.034 -1.899 1.00 0.00 C ATOM 281 CD1 ILE A 551 -2.966 -7.230 1.138 1.00 0.00 C ATOM 0 H ILE A 551 -6.615 -7.702 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.104 -9.775 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.346 -9.443 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.605 -6.692 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.965 -7.968 1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.234 -7.620 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -2.966 -8.805 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.766 -7.241 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.221 -6.482 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.575 -8.120 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.209 -6.825 0.466 1.00 0.00 H new ATOM 293 N PRO A 552 -5.475 -11.486 -0.332 1.00 0.00 N ATOM 294 CA PRO A 552 -5.911 -12.533 0.598 1.00 0.00 C ATOM 295 C PRO A 552 -5.726 -12.128 2.057 1.00 0.00 C ATOM 296 O PRO A 552 -4.661 -11.649 2.448 1.00 0.00 O ATOM 297 CB PRO A 552 -5.002 -13.715 0.252 1.00 0.00 C ATOM 298 CG PRO A 552 -4.649 -13.513 -1.181 1.00 0.00 C ATOM 299 CD PRO A 552 -4.636 -12.020 -1.417 1.00 0.00 C ATOM 0 HA PRO A 552 -6.974 -12.751 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.112 -13.728 0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.513 -14.666 0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.676 -13.949 -1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.375 -14.002 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.624 -11.617 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.040 -11.766 -2.397 1.00 0.00 H new ATOM 307 N PHE A 553 -6.768 -12.322 2.857 1.00 0.00 N ATOM 308 CA PHE A 553 -6.720 -11.976 4.273 1.00 0.00 C ATOM 309 C PHE A 553 -6.220 -13.155 5.104 1.00 0.00 C ATOM 310 O PHE A 553 -6.579 -13.301 6.272 1.00 0.00 O ATOM 311 CB PHE A 553 -8.104 -11.544 4.761 1.00 0.00 C ATOM 312 CG PHE A 553 -9.220 -12.395 4.227 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.581 -13.570 4.866 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.910 -12.019 3.085 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.609 -14.354 4.379 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.938 -12.800 2.593 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.287 -13.969 3.239 1.00 0.00 C ATOM 0 H PHE A 553 -7.657 -12.717 2.549 1.00 0.00 H new ATOM 0 HA PHE A 553 -6.024 -11.146 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -8.123 -11.576 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.276 -10.508 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -9.052 -13.877 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.641 -11.106 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.882 -15.266 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.469 -12.496 1.703 1.00 0.00 H new ATOM 0 HZ PHE A 553 -12.089 -14.581 2.854 1.00 0.00 H new ATOM 327 N SER A 554 -5.389 -13.992 4.492 1.00 0.00 N ATOM 328 CA SER A 554 -4.842 -15.159 5.173 1.00 0.00 C ATOM 329 C SER A 554 -3.322 -15.071 5.268 1.00 0.00 C ATOM 330 O SER A 554 -2.699 -15.755 6.081 1.00 0.00 O ATOM 331 CB SER A 554 -5.244 -16.440 4.438 1.00 0.00 C ATOM 332 OG SER A 554 -4.895 -17.590 5.187 1.00 0.00 O ATOM 0 H SER A 554 -5.080 -13.884 3.526 1.00 0.00 H new ATOM 0 HA SER A 554 -5.251 -15.183 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 554 -6.318 -16.435 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.754 -16.474 3.465 1.00 0.00 H new ATOM 0 HG SER A 554 -4.065 -17.420 5.679 1.00 0.00 H new ATOM 338 N ILE A 555 -2.731 -14.223 4.432 1.00 0.00 N ATOM 339 CA ILE A 555 -1.285 -14.044 4.421 1.00 0.00 C ATOM 340 C ILE A 555 -0.838 -13.117 5.548 1.00 0.00 C ATOM 341 O ILE A 555 -1.648 -12.397 6.133 1.00 0.00 O ATOM 342 CB ILE A 555 -0.798 -13.472 3.078 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.082 -11.970 3.005 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.464 -14.199 1.919 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.595 -11.324 1.726 1.00 0.00 C ATOM 0 H ILE A 555 -3.232 -13.649 3.754 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.844 -15.030 4.567 1.00 0.00 H new ATOM 0 HB ILE A 555 0.279 -13.623 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.156 -11.806 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.609 -11.477 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -1.109 -13.783 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -1.216 -15.259 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.545 -14.076 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.830 -10.260 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.484 -11.456 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -1.087 -11.790 0.873 1.00 0.00 H new ATOM 357 N THR A 556 0.458 -13.139 5.846 1.00 0.00 N ATOM 358 CA THR A 556 1.012 -12.301 6.901 1.00 0.00 C ATOM 359 C THR A 556 2.035 -11.319 6.341 1.00 0.00 C ATOM 360 O THR A 556 2.540 -11.496 5.233 1.00 0.00 O ATOM 361 CB THR A 556 1.680 -13.150 7.999 1.00 0.00 C ATOM 362 OG1 THR A 556 2.786 -13.876 7.453 1.00 0.00 O ATOM 363 CG2 THR A 556 0.683 -14.121 8.614 1.00 0.00 C ATOM 0 H THR A 556 1.142 -13.728 5.371 1.00 0.00 H new ATOM 0 HA THR A 556 0.180 -11.747 7.336 1.00 0.00 H new ATOM 0 HB THR A 556 2.037 -12.478 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.206 -14.412 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.178 -14.710 9.387 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.143 -13.563 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.299 -14.787 7.841 1.00 0.00 H new ATOM 371 N LYS A 557 2.338 -10.282 7.116 1.00 0.00 N ATOM 372 CA LYS A 557 3.303 -9.272 6.699 1.00 0.00 C ATOM 373 C LYS A 557 4.466 -9.908 5.945 1.00 0.00 C ATOM 374 O LYS A 557 4.881 -9.416 4.896 1.00 0.00 O ATOM 375 CB LYS A 557 3.828 -8.506 7.916 1.00 0.00 C ATOM 376 CG LYS A 557 4.735 -7.342 7.557 1.00 0.00 C ATOM 377 CD LYS A 557 6.188 -7.777 7.461 1.00 0.00 C ATOM 378 CE LYS A 557 6.789 -8.023 8.836 1.00 0.00 C ATOM 379 NZ LYS A 557 6.609 -9.433 9.276 1.00 0.00 N ATOM 0 H LYS A 557 1.929 -10.120 8.036 1.00 0.00 H new ATOM 0 HA LYS A 557 2.797 -8.576 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.982 -8.132 8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.373 -9.195 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 557 4.419 -6.913 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.638 -6.558 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 557 6.258 -8.687 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.765 -7.011 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 557 7.852 -7.782 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 557 6.324 -7.354 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 5.850 -9.481 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 6.356 -10.022 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 7.495 -9.782 9.693 1.00 0.00 H new ATOM 393 N MET A 558 4.987 -11.005 6.486 1.00 0.00 N ATOM 394 CA MET A 558 6.100 -11.709 5.861 1.00 0.00 C ATOM 395 C MET A 558 5.797 -12.017 4.398 1.00 0.00 C ATOM 396 O MET A 558 6.639 -11.812 3.523 1.00 0.00 O ATOM 397 CB MET A 558 6.399 -13.006 6.616 1.00 0.00 C ATOM 398 CG MET A 558 7.732 -13.633 6.242 1.00 0.00 C ATOM 399 SD MET A 558 9.106 -12.971 7.205 1.00 0.00 S ATOM 400 CE MET A 558 10.450 -14.008 6.633 1.00 0.00 C ATOM 0 H MET A 558 4.656 -11.425 7.355 1.00 0.00 H new ATOM 0 HA MET A 558 6.976 -11.062 5.903 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.390 -12.804 7.687 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.602 -13.723 6.420 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.676 -14.711 6.390 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.923 -13.466 5.182 1.00 0.00 H new ATOM 0 HE1 MET A 558 11.372 -13.720 7.138 1.00 0.00 H new ATOM 0 HE2 MET A 558 10.225 -15.051 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 558 10.572 -13.884 5.557 1.00 0.00 H new ATOM 410 N ASP A 559 4.591 -12.513 4.140 1.00 0.00 N ATOM 411 CA ASP A 559 4.177 -12.848 2.782 1.00 0.00 C ATOM 412 C ASP A 559 4.184 -11.611 1.890 1.00 0.00 C ATOM 413 O ASP A 559 4.506 -11.690 0.704 1.00 0.00 O ATOM 414 CB ASP A 559 2.783 -13.476 2.793 1.00 0.00 C ATOM 415 CG ASP A 559 2.805 -14.927 3.234 1.00 0.00 C ATOM 416 OD1 ASP A 559 2.874 -15.174 4.457 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.752 -15.814 2.357 1.00 0.00 O ATOM 0 H ASP A 559 3.884 -12.692 4.853 1.00 0.00 H new ATOM 0 HA ASP A 559 4.889 -13.568 2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.136 -12.906 3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.350 -13.409 1.795 1.00 0.00 H new ATOM 422 N VAL A 560 3.828 -10.468 2.469 1.00 0.00 N ATOM 423 CA VAL A 560 3.793 -9.213 1.727 1.00 0.00 C ATOM 424 C VAL A 560 5.195 -8.780 1.314 1.00 0.00 C ATOM 425 O VAL A 560 5.412 -8.334 0.187 1.00 0.00 O ATOM 426 CB VAL A 560 3.143 -8.089 2.555 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.436 -6.732 1.935 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.643 -8.317 2.676 1.00 0.00 C ATOM 0 H VAL A 560 3.560 -10.386 3.450 1.00 0.00 H new ATOM 0 HA VAL A 560 3.193 -9.390 0.834 1.00 0.00 H new ATOM 0 HB VAL A 560 3.572 -8.104 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.969 -5.950 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.514 -6.571 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 560 3.036 -6.701 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.199 -7.514 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.195 -8.329 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.459 -9.272 3.169 1.00 0.00 H new ATOM 438 N LEU A 561 6.144 -8.916 2.233 1.00 0.00 N ATOM 439 CA LEU A 561 7.528 -8.539 1.966 1.00 0.00 C ATOM 440 C LEU A 561 8.041 -9.214 0.697 1.00 0.00 C ATOM 441 O LEU A 561 8.826 -8.633 -0.051 1.00 0.00 O ATOM 442 CB LEU A 561 8.418 -8.912 3.152 1.00 0.00 C ATOM 443 CG LEU A 561 8.166 -8.142 4.448 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.943 -8.766 5.599 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.542 -6.678 4.281 1.00 0.00 C ATOM 0 H LEU A 561 5.981 -9.285 3.170 1.00 0.00 H new ATOM 0 HA LEU A 561 7.563 -7.459 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.292 -9.976 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.458 -8.764 2.861 1.00 0.00 H new ATOM 0 HG LEU A 561 7.103 -8.199 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.752 -8.205 6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.625 -9.800 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 561 10.009 -8.741 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.356 -6.146 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.598 -6.601 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.942 -6.237 3.485 1.00 0.00 H new ATOM 457 N GLN A 562 7.589 -10.441 0.464 1.00 0.00 N ATOM 458 CA GLN A 562 8.001 -11.195 -0.716 1.00 0.00 C ATOM 459 C GLN A 562 7.341 -10.641 -1.973 1.00 0.00 C ATOM 460 O GLN A 562 7.979 -10.519 -3.019 1.00 0.00 O ATOM 461 CB GLN A 562 7.651 -12.674 -0.549 1.00 0.00 C ATOM 462 CG GLN A 562 8.066 -13.534 -1.732 1.00 0.00 C ATOM 463 CD GLN A 562 7.414 -14.903 -1.716 1.00 0.00 C ATOM 464 OE1 GLN A 562 6.250 -15.044 -1.339 1.00 0.00 O ATOM 465 NE2 GLN A 562 8.161 -15.920 -2.127 1.00 0.00 N ATOM 0 H GLN A 562 6.938 -10.935 1.075 1.00 0.00 H new ATOM 0 HA GLN A 562 9.081 -11.095 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.133 -13.053 0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.575 -12.770 -0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.804 -13.022 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.150 -13.652 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.121 -15.758 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 562 7.775 -16.864 -2.139 1.00 0.00 H new ATOM 474 N PHE A 563 6.059 -10.310 -1.865 1.00 0.00 N ATOM 475 CA PHE A 563 5.311 -9.771 -2.995 1.00 0.00 C ATOM 476 C PHE A 563 5.847 -8.400 -3.398 1.00 0.00 C ATOM 477 O PHE A 563 5.666 -7.960 -4.535 1.00 0.00 O ATOM 478 CB PHE A 563 3.824 -9.667 -2.647 1.00 0.00 C ATOM 479 CG PHE A 563 3.052 -8.777 -3.577 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.551 -9.269 -4.772 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.826 -7.448 -3.258 1.00 0.00 C ATOM 482 CE1 PHE A 563 1.839 -8.453 -5.631 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.114 -6.627 -4.112 1.00 0.00 C ATOM 484 CZ PHE A 563 1.621 -7.129 -5.300 1.00 0.00 C ATOM 0 H PHE A 563 5.516 -10.405 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 563 5.434 -10.452 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.385 -10.664 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.723 -9.291 -1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 563 2.719 -10.303 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.211 -7.049 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 563 1.454 -8.849 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.943 -5.593 -3.850 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.066 -6.488 -5.969 1.00 0.00 H new ATOM 494 N LEU A 564 6.505 -7.729 -2.459 1.00 0.00 N ATOM 495 CA LEU A 564 7.068 -6.408 -2.715 1.00 0.00 C ATOM 496 C LEU A 564 8.577 -6.489 -2.917 1.00 0.00 C ATOM 497 O LEU A 564 9.263 -5.468 -2.958 1.00 0.00 O ATOM 498 CB LEU A 564 6.748 -5.463 -1.556 1.00 0.00 C ATOM 499 CG LEU A 564 5.294 -4.998 -1.452 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.077 -4.209 -0.171 1.00 0.00 C ATOM 501 CD2 LEU A 564 4.913 -4.162 -2.665 1.00 0.00 C ATOM 0 H LEU A 564 6.662 -8.078 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 564 6.618 -6.019 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.018 -5.959 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.385 -4.583 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 564 4.652 -5.879 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.037 -3.886 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.309 -4.839 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 564 5.729 -3.335 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 564 3.876 -3.840 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.561 -3.287 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.029 -4.759 -3.569 1.00 0.00 H new ATOM 513 N GLU A 565 9.088 -7.710 -3.046 1.00 0.00 N ATOM 514 CA GLU A 565 10.517 -7.923 -3.245 1.00 0.00 C ATOM 515 C GLU A 565 11.017 -7.155 -4.465 1.00 0.00 C ATOM 516 O GLU A 565 10.463 -7.275 -5.558 1.00 0.00 O ATOM 517 CB GLU A 565 10.814 -9.415 -3.412 1.00 0.00 C ATOM 518 CG GLU A 565 12.234 -9.704 -3.869 1.00 0.00 C ATOM 519 CD GLU A 565 12.498 -11.187 -4.047 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.850 -11.805 -4.918 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.351 -11.730 -3.315 1.00 0.00 O ATOM 0 H GLU A 565 8.534 -8.566 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 565 11.040 -7.551 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.636 -9.921 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.115 -9.838 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.420 -9.190 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.936 -9.298 -3.140 1.00 0.00 H new ATOM 528 N GLY A 566 12.066 -6.362 -4.270 1.00 0.00 N ATOM 529 CA GLY A 566 12.623 -5.584 -5.361 1.00 0.00 C ATOM 530 C GLY A 566 12.612 -4.096 -5.077 1.00 0.00 C ATOM 531 O GLY A 566 13.429 -3.349 -5.616 1.00 0.00 O ATOM 0 H GLY A 566 12.541 -6.244 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.647 -5.907 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.055 -5.781 -6.270 1.00 0.00 H new ATOM 535 N ILE A 567 11.684 -3.664 -4.231 1.00 0.00 N ATOM 536 CA ILE A 567 11.570 -2.254 -3.877 1.00 0.00 C ATOM 537 C ILE A 567 12.218 -1.972 -2.526 1.00 0.00 C ATOM 538 O ILE A 567 11.683 -2.313 -1.470 1.00 0.00 O ATOM 539 CB ILE A 567 10.098 -1.801 -3.832 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.410 -2.096 -5.167 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.010 -0.319 -3.501 1.00 0.00 C ATOM 542 CD1 ILE A 567 7.919 -1.846 -5.146 1.00 0.00 C ATOM 0 H ILE A 567 11.000 -4.270 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 567 12.091 -1.692 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 567 9.585 -2.359 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 567 9.863 -1.480 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.592 -3.136 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 567 8.964 -0.014 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.468 -0.135 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.535 0.256 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.498 -2.076 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.454 -2.482 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.729 -0.800 -4.906 1.00 0.00 H new ATOM 554 N PRO A 568 13.398 -1.335 -2.557 1.00 0.00 N ATOM 555 CA PRO A 568 14.143 -0.990 -1.342 1.00 0.00 C ATOM 556 C PRO A 568 13.247 -0.403 -0.258 1.00 0.00 C ATOM 557 O PRO A 568 12.736 0.710 -0.396 1.00 0.00 O ATOM 558 CB PRO A 568 15.150 0.055 -1.828 1.00 0.00 C ATOM 559 CG PRO A 568 15.371 -0.271 -3.265 1.00 0.00 C ATOM 560 CD PRO A 568 14.093 -0.899 -3.779 1.00 0.00 C ATOM 0 HA PRO A 568 14.604 -1.866 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 568 14.761 1.066 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.080 0.001 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.614 0.628 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.211 -0.956 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.496 -0.184 -4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.299 -1.739 -4.443 1.00 0.00 H new ATOM 568 N VAL A 569 13.058 -1.156 0.821 1.00 0.00 N ATOM 569 CA VAL A 569 12.224 -0.708 1.930 1.00 0.00 C ATOM 570 C VAL A 569 12.405 -1.604 3.149 1.00 0.00 C ATOM 571 O VAL A 569 12.727 -2.785 3.023 1.00 0.00 O ATOM 572 CB VAL A 569 10.734 -0.687 1.538 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.223 -2.100 1.306 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.914 0.016 2.608 1.00 0.00 C ATOM 0 H VAL A 569 13.471 -2.079 0.951 1.00 0.00 H new ATOM 0 HA VAL A 569 12.541 0.305 2.177 1.00 0.00 H new ATOM 0 HB VAL A 569 10.628 -0.131 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.169 -2.065 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.793 -2.566 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.340 -2.684 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.864 0.022 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 569 10.024 -0.511 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.266 1.042 2.721 1.00 0.00 H new ATOM 584 N ASP A 570 12.195 -1.034 4.332 1.00 0.00 N ATOM 585 CA ASP A 570 12.334 -1.782 5.576 1.00 0.00 C ATOM 586 C ASP A 570 11.083 -2.610 5.855 1.00 0.00 C ATOM 587 O ASP A 570 9.998 -2.294 5.368 1.00 0.00 O ATOM 588 CB ASP A 570 12.600 -0.829 6.742 1.00 0.00 C ATOM 589 CG ASP A 570 11.582 0.294 6.815 1.00 0.00 C ATOM 590 OD1 ASP A 570 11.738 1.284 6.070 1.00 0.00 O ATOM 591 OD2 ASP A 570 10.631 0.184 7.617 1.00 0.00 O ATOM 0 H ASP A 570 11.928 -0.057 4.455 1.00 0.00 H new ATOM 0 HA ASP A 570 13.181 -2.460 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 570 12.586 -1.390 7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 570 13.599 -0.404 6.640 1.00 0.00 H new ATOM 596 N GLU A 571 11.245 -3.671 6.639 1.00 0.00 N ATOM 597 CA GLU A 571 10.128 -4.545 6.980 1.00 0.00 C ATOM 598 C GLU A 571 9.168 -3.850 7.941 1.00 0.00 C ATOM 599 O GLU A 571 8.025 -4.275 8.106 1.00 0.00 O ATOM 600 CB GLU A 571 10.641 -5.844 7.605 1.00 0.00 C ATOM 601 CG GLU A 571 11.902 -5.664 8.434 1.00 0.00 C ATOM 602 CD GLU A 571 12.183 -6.853 9.333 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.672 -7.882 8.823 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.913 -6.753 10.549 1.00 0.00 O ATOM 0 H GLU A 571 12.137 -3.946 7.050 1.00 0.00 H new ATOM 0 HA GLU A 571 9.590 -4.780 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 571 9.859 -6.268 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 571 10.837 -6.566 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 571 12.751 -5.508 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.806 -4.766 9.044 1.00 0.00 H new ATOM 611 N ASN A 572 9.642 -2.781 8.573 1.00 0.00 N ATOM 612 CA ASN A 572 8.826 -2.028 9.519 1.00 0.00 C ATOM 613 C ASN A 572 8.169 -0.831 8.837 1.00 0.00 C ATOM 614 O ASN A 572 7.523 -0.010 9.489 1.00 0.00 O ATOM 615 CB ASN A 572 9.679 -1.554 10.696 1.00 0.00 C ATOM 616 CG ASN A 572 10.333 -2.704 11.436 1.00 0.00 C ATOM 617 OD1 ASN A 572 9.832 -3.828 11.425 1.00 0.00 O ATOM 618 ND2 ASN A 572 11.459 -2.427 12.084 1.00 0.00 N ATOM 0 H ASN A 572 10.586 -2.417 8.447 1.00 0.00 H new ATOM 0 HA ASN A 572 8.042 -2.688 9.891 1.00 0.00 H new ATOM 0 HB2 ASN A 572 10.450 -0.875 10.332 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.056 -0.988 11.388 1.00 0.00 H new ATOM 0 HD21 ASN A 572 11.944 -3.161 12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 572 11.838 -1.480 12.066 1.00 0.00 H new ATOM 625 N ALA A 573 8.337 -0.740 7.522 1.00 0.00 N ATOM 626 CA ALA A 573 7.758 0.354 6.752 1.00 0.00 C ATOM 627 C ALA A 573 6.351 0.009 6.279 1.00 0.00 C ATOM 628 O ALA A 573 5.553 0.895 5.971 1.00 0.00 O ATOM 629 CB ALA A 573 8.648 0.692 5.564 1.00 0.00 C ATOM 0 H ALA A 573 8.869 -1.411 6.968 1.00 0.00 H new ATOM 0 HA ALA A 573 7.690 1.226 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 573 8.204 1.511 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.634 0.991 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.745 -0.183 4.921 1.00 0.00 H new ATOM 635 N VAL A 574 6.051 -1.285 6.222 1.00 0.00 N ATOM 636 CA VAL A 574 4.739 -1.748 5.787 1.00 0.00 C ATOM 637 C VAL A 574 3.812 -1.970 6.976 1.00 0.00 C ATOM 638 O VAL A 574 4.091 -2.791 7.851 1.00 0.00 O ATOM 639 CB VAL A 574 4.844 -3.056 4.981 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.469 -3.509 4.515 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.784 -2.879 3.799 1.00 0.00 C ATOM 0 H VAL A 574 6.700 -2.031 6.472 1.00 0.00 H new ATOM 0 HA VAL A 574 4.325 -0.968 5.148 1.00 0.00 H new ATOM 0 HB VAL A 574 5.254 -3.830 5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.564 -4.435 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.829 -3.678 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.027 -2.739 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.846 -3.813 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.405 -2.091 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.775 -2.605 4.160 1.00 0.00 H new ATOM 651 N HIS A 575 2.707 -1.232 7.004 1.00 0.00 N ATOM 652 CA HIS A 575 1.736 -1.349 8.087 1.00 0.00 C ATOM 653 C HIS A 575 0.555 -2.219 7.667 1.00 0.00 C ATOM 654 O HIS A 575 -0.037 -2.010 6.608 1.00 0.00 O ATOM 655 CB HIS A 575 1.241 0.036 8.507 1.00 0.00 C ATOM 656 CG HIS A 575 2.265 0.840 9.248 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.948 1.691 10.285 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.608 0.916 9.098 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.050 2.257 10.739 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.073 1.804 10.037 1.00 0.00 N ATOM 0 H HIS A 575 2.461 -0.547 6.290 1.00 0.00 H new ATOM 0 HA HIS A 575 2.230 -1.823 8.935 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.932 0.587 7.619 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.357 -0.078 9.135 1.00 0.00 H new ATOM 0 HD1 HIS A 575 1.008 1.857 10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.203 0.378 8.375 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.106 2.970 11.548 1.00 0.00 H new ATOM 668 N VAL A 576 0.219 -3.195 8.503 1.00 0.00 N ATOM 669 CA VAL A 576 -0.891 -4.097 8.219 1.00 0.00 C ATOM 670 C VAL A 576 -2.171 -3.624 8.898 1.00 0.00 C ATOM 671 O VAL A 576 -2.188 -3.364 10.102 1.00 0.00 O ATOM 672 CB VAL A 576 -0.578 -5.534 8.679 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.742 -6.460 8.361 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.705 -6.033 8.032 1.00 0.00 C ATOM 0 H VAL A 576 0.700 -3.382 9.383 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.034 -4.093 7.138 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.433 -5.529 9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.504 -7.471 8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.636 -6.110 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.921 -6.464 7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.911 -7.049 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.593 -6.025 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.532 -5.383 8.316 1.00 0.00 H new ATOM 684 N LEU A 577 -3.241 -3.515 8.120 1.00 0.00 N ATOM 685 CA LEU A 577 -4.529 -3.074 8.647 1.00 0.00 C ATOM 686 C LEU A 577 -5.228 -4.205 9.392 1.00 0.00 C ATOM 687 O LEU A 577 -4.866 -5.373 9.252 1.00 0.00 O ATOM 688 CB LEU A 577 -5.420 -2.567 7.511 1.00 0.00 C ATOM 689 CG LEU A 577 -5.035 -1.217 6.907 1.00 0.00 C ATOM 690 CD1 LEU A 577 -5.794 -0.975 5.611 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.301 -0.094 7.899 1.00 0.00 C ATOM 0 H LEU A 577 -3.244 -3.726 7.122 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.348 -2.260 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.419 -3.312 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.443 -2.498 7.882 1.00 0.00 H new ATOM 0 HG LEU A 577 -3.969 -1.233 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -5.507 -0.009 5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -5.555 -1.763 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -6.866 -0.980 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.021 0.860 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.360 -0.078 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.712 -0.259 8.801 1.00 0.00 H new ATOM 809 N GLY A 586 -8.090 -7.470 4.694 1.00 0.00 N ATOM 810 CA GLY A 586 -7.165 -7.760 3.616 1.00 0.00 C ATOM 811 C GLY A 586 -6.613 -6.503 2.972 1.00 0.00 C ATOM 812 O GLY A 586 -6.851 -6.247 1.791 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.340 -8.360 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.670 -8.360 2.859 1.00 0.00 H new ATOM 816 N GLN A 587 -5.878 -5.715 3.749 1.00 0.00 N ATOM 817 CA GLN A 587 -5.294 -4.476 3.248 1.00 0.00 C ATOM 818 C GLN A 587 -4.069 -4.082 4.066 1.00 0.00 C ATOM 819 O GLN A 587 -4.000 -4.345 5.265 1.00 0.00 O ATOM 820 CB GLN A 587 -6.328 -3.350 3.281 1.00 0.00 C ATOM 821 CG GLN A 587 -7.499 -3.570 2.336 1.00 0.00 C ATOM 822 CD GLN A 587 -8.523 -2.455 2.405 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.350 -1.400 1.795 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.597 -2.683 3.151 1.00 0.00 N ATOM 0 H GLN A 587 -5.672 -5.912 4.728 1.00 0.00 H new ATOM 0 HA GLN A 587 -4.982 -4.642 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.707 -3.246 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.838 -2.410 3.026 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.126 -3.653 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -7.982 -4.517 2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.699 -3.573 3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.320 -1.969 3.236 1.00 0.00 H new ATOM 833 N ALA A 588 -3.102 -3.450 3.407 1.00 0.00 N ATOM 834 CA ALA A 588 -1.880 -3.018 4.074 1.00 0.00 C ATOM 835 C ALA A 588 -1.288 -1.789 3.392 1.00 0.00 C ATOM 836 O ALA A 588 -1.399 -1.627 2.175 1.00 0.00 O ATOM 837 CB ALA A 588 -0.865 -4.151 4.098 1.00 0.00 C ATOM 0 H ALA A 588 -3.142 -3.226 2.413 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.130 -2.747 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.043 -3.815 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.283 -5.002 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.627 -4.448 3.077 1.00 0.00 H new ATOM 843 N LEU A 589 -0.660 -0.926 4.182 1.00 0.00 N ATOM 844 CA LEU A 589 -0.050 0.290 3.654 1.00 0.00 C ATOM 845 C LEU A 589 1.471 0.191 3.679 1.00 0.00 C ATOM 846 O LEU A 589 2.044 -0.553 4.475 1.00 0.00 O ATOM 847 CB LEU A 589 -0.507 1.506 4.463 1.00 0.00 C ATOM 848 CG LEU A 589 -1.963 1.931 4.271 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.414 2.822 5.417 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.139 2.643 2.938 1.00 0.00 C ATOM 0 H LEU A 589 -0.559 -1.045 5.190 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.371 0.408 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.348 1.295 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.134 2.350 4.206 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.585 1.036 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.453 3.115 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.326 2.278 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.788 3.713 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.181 2.938 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.505 3.530 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.857 1.972 2.127 1.00 0.00 H new ATOM 862 N VAL A 590 2.123 0.948 2.802 1.00 0.00 N ATOM 863 CA VAL A 590 3.579 0.948 2.725 1.00 0.00 C ATOM 864 C VAL A 590 4.127 2.371 2.688 1.00 0.00 C ATOM 865 O VAL A 590 3.669 3.202 1.905 1.00 0.00 O ATOM 866 CB VAL A 590 4.076 0.186 1.481 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.596 0.171 1.436 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.520 -1.230 1.469 1.00 0.00 C ATOM 0 H VAL A 590 1.666 1.569 2.135 1.00 0.00 H new ATOM 0 HA VAL A 590 3.943 0.444 3.620 1.00 0.00 H new ATOM 0 HB VAL A 590 3.716 0.702 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.928 -0.371 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.969 1.194 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.982 -0.321 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.880 -1.755 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.850 -1.758 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.431 -1.193 1.451 1.00 0.00 H new ATOM 878 N GLN A 591 5.111 2.643 3.539 1.00 0.00 N ATOM 879 CA GLN A 591 5.721 3.965 3.603 1.00 0.00 C ATOM 880 C GLN A 591 7.101 3.960 2.954 1.00 0.00 C ATOM 881 O GLN A 591 7.990 3.214 3.366 1.00 0.00 O ATOM 882 CB GLN A 591 5.830 4.429 5.057 1.00 0.00 C ATOM 883 CG GLN A 591 5.840 5.941 5.213 1.00 0.00 C ATOM 884 CD GLN A 591 6.612 6.396 6.436 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.628 5.715 7.462 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.255 7.554 6.335 1.00 0.00 N ATOM 0 H GLN A 591 5.502 1.965 4.193 1.00 0.00 H new ATOM 0 HA GLN A 591 5.084 4.659 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.994 4.019 5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.742 4.021 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.279 6.391 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.814 6.302 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.215 8.086 5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.789 7.911 7.127 1.00 0.00 H new ATOM 895 N PHE A 592 7.274 4.796 1.935 1.00 0.00 N ATOM 896 CA PHE A 592 8.546 4.886 1.228 1.00 0.00 C ATOM 897 C PHE A 592 9.256 6.198 1.552 1.00 0.00 C ATOM 898 O PHE A 592 8.645 7.140 2.056 1.00 0.00 O ATOM 899 CB PHE A 592 8.323 4.774 -0.282 1.00 0.00 C ATOM 900 CG PHE A 592 7.907 3.401 -0.726 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.713 2.303 -0.471 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.711 3.207 -1.397 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.334 1.037 -0.878 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.327 1.944 -1.807 1.00 0.00 C ATOM 905 CZ PHE A 592 7.140 0.858 -1.548 1.00 0.00 C ATOM 0 H PHE A 592 6.549 5.420 1.581 1.00 0.00 H new ATOM 0 HA PHE A 592 9.176 4.060 1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.559 5.491 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.242 5.051 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.648 2.438 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.071 4.052 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.971 0.189 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.392 1.807 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.842 -0.129 -1.869 1.00 0.00 H new ATOM 915 N LYS A 593 10.551 6.249 1.259 1.00 0.00 N ATOM 916 CA LYS A 593 11.347 7.443 1.518 1.00 0.00 C ATOM 917 C LYS A 593 11.138 8.484 0.423 1.00 0.00 C ATOM 918 O LYS A 593 10.769 9.625 0.701 1.00 0.00 O ATOM 919 CB LYS A 593 12.831 7.081 1.615 1.00 0.00 C ATOM 920 CG LYS A 593 13.250 6.596 2.992 1.00 0.00 C ATOM 921 CD LYS A 593 13.429 7.754 3.960 1.00 0.00 C ATOM 922 CE LYS A 593 14.834 8.329 3.888 1.00 0.00 C ATOM 923 NZ LYS A 593 14.944 9.399 2.858 1.00 0.00 N ATOM 0 H LYS A 593 11.072 5.477 0.842 1.00 0.00 H new ATOM 0 HA LYS A 593 11.020 7.868 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.056 6.306 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.427 7.954 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.499 5.908 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 593 14.183 6.038 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 593 12.703 8.535 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 593 13.225 7.415 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 593 15.111 8.733 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.541 7.532 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.646 10.103 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 15.243 8.981 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 14.020 9.861 2.737 1.00 0.00 H new ATOM 937 N ASN A 594 11.374 8.083 -0.822 1.00 0.00 N ATOM 938 CA ASN A 594 11.210 8.982 -1.959 1.00 0.00 C ATOM 939 C ASN A 594 10.366 8.330 -3.050 1.00 0.00 C ATOM 940 O ASN A 594 10.260 7.107 -3.118 1.00 0.00 O ATOM 941 CB ASN A 594 12.576 9.378 -2.523 1.00 0.00 C ATOM 942 CG ASN A 594 13.349 10.283 -1.584 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.955 11.423 -1.338 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.456 9.778 -1.054 1.00 0.00 N ATOM 0 H ASN A 594 11.679 7.142 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 594 10.694 9.877 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.160 8.479 -2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.439 9.883 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.018 10.340 -0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.745 8.828 -1.286 1.00 0.00 H new ATOM 951 N GLU A 595 9.767 9.158 -3.901 1.00 0.00 N ATOM 952 CA GLU A 595 8.932 8.661 -4.989 1.00 0.00 C ATOM 953 C GLU A 595 9.648 7.559 -5.764 1.00 0.00 C ATOM 954 O GLU A 595 9.042 6.554 -6.136 1.00 0.00 O ATOM 955 CB GLU A 595 8.557 9.804 -5.935 1.00 0.00 C ATOM 956 CG GLU A 595 7.768 10.916 -5.265 1.00 0.00 C ATOM 957 CD GLU A 595 7.069 11.819 -6.261 1.00 0.00 C ATOM 958 OE1 GLU A 595 7.743 12.690 -6.849 1.00 0.00 O ATOM 959 OE2 GLU A 595 5.846 11.654 -6.454 1.00 0.00 O ATOM 0 H GLU A 595 9.844 10.174 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 595 8.023 8.244 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.468 10.223 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 595 7.972 9.402 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.027 10.478 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.441 11.513 -4.649 1.00 0.00 H new ATOM 966 N ASP A 596 10.940 7.754 -6.003 1.00 0.00 N ATOM 967 CA ASP A 596 11.738 6.778 -6.733 1.00 0.00 C ATOM 968 C ASP A 596 11.401 5.358 -6.287 1.00 0.00 C ATOM 969 O ASP A 596 11.521 4.408 -7.061 1.00 0.00 O ATOM 970 CB ASP A 596 13.230 7.050 -6.528 1.00 0.00 C ATOM 971 CG ASP A 596 14.103 6.216 -7.445 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.129 4.978 -7.276 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.758 6.801 -8.332 1.00 0.00 O ATOM 0 H ASP A 596 11.457 8.580 -5.701 1.00 0.00 H new ATOM 0 HA ASP A 596 11.502 6.873 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.431 8.107 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.495 6.842 -5.491 1.00 0.00 H new ATOM 978 N ASP A 597 10.982 5.221 -5.034 1.00 0.00 N ATOM 979 CA ASP A 597 10.628 3.918 -4.484 1.00 0.00 C ATOM 980 C ASP A 597 9.136 3.647 -4.645 1.00 0.00 C ATOM 981 O ASP A 597 8.720 2.507 -4.846 1.00 0.00 O ATOM 982 CB ASP A 597 11.016 3.841 -3.007 1.00 0.00 C ATOM 983 CG ASP A 597 12.387 4.432 -2.737 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.256 4.344 -3.629 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.589 4.980 -1.633 1.00 0.00 O ATOM 0 H ASP A 597 10.879 5.997 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 597 11.179 3.157 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.272 4.369 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 597 11.002 2.800 -2.684 1.00 0.00 H new ATOM 990 N ALA A 598 8.335 4.704 -4.554 1.00 0.00 N ATOM 991 CA ALA A 598 6.889 4.580 -4.691 1.00 0.00 C ATOM 992 C ALA A 598 6.499 4.255 -6.128 1.00 0.00 C ATOM 993 O ALA A 598 5.804 3.273 -6.386 1.00 0.00 O ATOM 994 CB ALA A 598 6.204 5.860 -4.234 1.00 0.00 C ATOM 0 H ALA A 598 8.663 5.655 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 598 6.559 3.757 -4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.125 5.753 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.447 6.050 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.549 6.695 -4.844 1.00 0.00 H new ATOM 1000 N ARG A 599 6.950 5.087 -7.062 1.00 0.00 N ATOM 1001 CA ARG A 599 6.646 4.888 -8.474 1.00 0.00 C ATOM 1002 C ARG A 599 6.802 3.420 -8.863 1.00 0.00 C ATOM 1003 O ARG A 599 6.198 2.955 -9.828 1.00 0.00 O ATOM 1004 CB ARG A 599 7.560 5.755 -9.342 1.00 0.00 C ATOM 1005 CG ARG A 599 8.992 5.251 -9.412 1.00 0.00 C ATOM 1006 CD ARG A 599 9.179 4.265 -10.554 1.00 0.00 C ATOM 1007 NE ARG A 599 10.587 3.945 -10.775 1.00 0.00 N ATOM 1008 CZ ARG A 599 11.429 4.742 -11.424 1.00 0.00 C ATOM 1009 NH1 ARG A 599 11.008 5.899 -11.913 1.00 0.00 N ATOM 1010 NH2 ARG A 599 12.695 4.380 -11.585 1.00 0.00 N ATOM 0 H ARG A 599 7.527 5.905 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 599 5.610 5.183 -8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 599 7.151 5.802 -10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.561 6.772 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 599 9.670 6.094 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 599 9.257 4.772 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 599 8.629 3.350 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 599 8.754 4.683 -11.467 1.00 0.00 H new ATOM 0 HE ARG A 599 10.943 3.061 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 599 10.035 6.180 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 599 11.657 6.509 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 599 13.022 3.489 -11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 599 13.341 4.992 -12.083 1.00 0.00 H new ATOM 1024 N LYS A 600 7.618 2.696 -8.103 1.00 0.00 N ATOM 1025 CA LYS A 600 7.854 1.282 -8.365 1.00 0.00 C ATOM 1026 C LYS A 600 6.606 0.457 -8.067 1.00 0.00 C ATOM 1027 O LYS A 600 6.165 -0.339 -8.894 1.00 0.00 O ATOM 1028 CB LYS A 600 9.027 0.774 -7.523 1.00 0.00 C ATOM 1029 CG LYS A 600 10.321 1.533 -7.764 1.00 0.00 C ATOM 1030 CD LYS A 600 11.443 1.013 -6.882 1.00 0.00 C ATOM 1031 CE LYS A 600 11.924 -0.356 -7.341 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.041 -0.251 -8.323 1.00 0.00 N ATOM 0 H LYS A 600 8.127 3.066 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 600 8.098 1.171 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 600 8.764 0.846 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.189 -0.282 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.608 1.442 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.164 2.594 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.275 1.716 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.097 0.951 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.253 -0.934 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 600 11.094 -0.900 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.340 -1.204 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.720 0.279 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.843 0.246 -7.885 1.00 0.00 H new ATOM 1046 N SER A 601 6.042 0.655 -6.880 1.00 0.00 N ATOM 1047 CA SER A 601 4.846 -0.072 -6.472 1.00 0.00 C ATOM 1048 C SER A 601 3.765 0.013 -7.545 1.00 0.00 C ATOM 1049 O SER A 601 2.907 -0.863 -7.647 1.00 0.00 O ATOM 1050 CB SER A 601 4.312 0.483 -5.149 1.00 0.00 C ATOM 1051 OG SER A 601 3.785 1.787 -5.319 1.00 0.00 O ATOM 0 H SER A 601 6.394 1.313 -6.184 1.00 0.00 H new ATOM 0 HA SER A 601 5.117 -1.119 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 601 3.537 -0.178 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.113 0.505 -4.410 1.00 0.00 H new ATOM 0 HG SER A 601 4.495 2.389 -5.626 1.00 0.00 H new ATOM 1057 N GLU A 602 3.814 1.075 -8.342 1.00 0.00 N ATOM 1058 CA GLU A 602 2.839 1.276 -9.408 1.00 0.00 C ATOM 1059 C GLU A 602 3.045 0.264 -10.532 1.00 0.00 C ATOM 1060 O GLU A 602 2.091 -0.152 -11.190 1.00 0.00 O ATOM 1061 CB GLU A 602 2.942 2.698 -9.962 1.00 0.00 C ATOM 1062 CG GLU A 602 2.602 3.774 -8.944 1.00 0.00 C ATOM 1063 CD GLU A 602 2.144 5.067 -9.591 1.00 0.00 C ATOM 1064 OE1 GLU A 602 0.938 5.185 -9.891 1.00 0.00 O ATOM 1065 OE2 GLU A 602 2.992 5.960 -9.797 1.00 0.00 O ATOM 0 H GLU A 602 4.518 1.810 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 602 1.844 1.129 -8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 602 3.955 2.864 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.274 2.795 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 602 1.819 3.407 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 602 3.477 3.972 -8.325 1.00 0.00 H new ATOM 1072 N ARG A 603 4.298 -0.125 -10.746 1.00 0.00 N ATOM 1073 CA ARG A 603 4.630 -1.085 -11.792 1.00 0.00 C ATOM 1074 C ARG A 603 4.024 -2.453 -11.486 1.00 0.00 C ATOM 1075 O ARG A 603 3.704 -3.218 -12.397 1.00 0.00 O ATOM 1076 CB ARG A 603 6.148 -1.209 -11.936 1.00 0.00 C ATOM 1077 CG ARG A 603 6.580 -2.203 -13.001 1.00 0.00 C ATOM 1078 CD ARG A 603 8.001 -1.935 -13.470 1.00 0.00 C ATOM 1079 NE ARG A 603 8.642 -3.140 -13.990 1.00 0.00 N ATOM 1080 CZ ARG A 603 9.157 -4.091 -13.217 1.00 0.00 C ATOM 1081 NH1 ARG A 603 9.105 -3.976 -11.898 1.00 0.00 N ATOM 1082 NH2 ARG A 603 9.725 -5.158 -13.764 1.00 0.00 N ATOM 0 H ARG A 603 5.099 0.209 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 603 4.211 -0.722 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.563 -0.230 -12.175 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.572 -1.509 -10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 603 6.512 -3.216 -12.604 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.899 -2.147 -13.850 1.00 0.00 H new ATOM 0 HD2 ARG A 603 7.989 -1.168 -14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.588 -1.541 -12.641 1.00 0.00 H new ATOM 0 HE ARG A 603 8.698 -3.258 -15.002 1.00 0.00 H new ATOM 0 HH11 ARG A 603 8.669 -3.157 -11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 603 9.501 -4.707 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 603 9.767 -5.249 -14.779 1.00 0.00 H new ATOM 0 HH22 ARG A 603 10.120 -5.887 -13.169 1.00 0.00 H new ATOM 1096 N LEU A 604 3.872 -2.752 -10.202 1.00 0.00 N ATOM 1097 CA LEU A 604 3.306 -4.027 -9.775 1.00 0.00 C ATOM 1098 C LEU A 604 1.789 -3.931 -9.641 1.00 0.00 C ATOM 1099 O LEU A 604 1.148 -4.819 -9.076 1.00 0.00 O ATOM 1100 CB LEU A 604 3.921 -4.461 -8.444 1.00 0.00 C ATOM 1101 CG LEU A 604 5.418 -4.770 -8.466 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.941 -4.977 -7.053 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.697 -5.996 -9.324 1.00 0.00 C ATOM 0 H LEU A 604 4.133 -2.129 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 604 3.539 -4.773 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.743 -3.674 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.392 -5.348 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 604 5.939 -3.918 -8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 604 7.008 -5.196 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.775 -4.073 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.415 -5.811 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.768 -6.201 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.165 -6.855 -8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.359 -5.811 -10.344 1.00 0.00 H new ATOM 1115 N HIS A 605 1.221 -2.850 -10.165 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.222 -2.639 -10.105 1.00 0.00 C ATOM 1117 C HIS A 605 -0.965 -3.763 -10.821 1.00 0.00 C ATOM 1118 O HIS A 605 -0.482 -4.304 -11.816 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.588 -1.292 -10.729 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.057 -1.001 -10.707 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -2.822 -1.082 -9.563 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -2.900 -0.626 -11.697 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.073 -0.771 -9.850 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.148 -0.491 -11.139 1.00 0.00 N ATOM 0 H HIS A 605 1.737 -2.107 -10.636 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.521 -2.639 -9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.061 -0.500 -10.198 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.237 -1.272 -11.761 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.640 -0.463 -12.733 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.895 -0.749 -9.150 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -4.995 -0.219 -11.638 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.140 -4.110 -10.307 1.00 0.00 N ATOM 1133 CA ARG A 606 -2.948 -5.172 -10.896 1.00 0.00 C ATOM 1134 C ARG A 606 -2.173 -6.486 -10.936 1.00 0.00 C ATOM 1135 O ARG A 606 -2.321 -7.277 -11.867 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.388 -4.782 -12.308 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.407 -3.656 -12.340 1.00 0.00 C ATOM 1138 CD ARG A 606 -5.068 -3.541 -13.705 1.00 0.00 C ATOM 1139 NE ARG A 606 -6.187 -4.468 -13.850 1.00 0.00 N ATOM 1140 CZ ARG A 606 -6.822 -4.680 -14.997 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -6.448 -4.036 -16.094 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -7.832 -5.540 -15.050 1.00 0.00 N ATOM 0 H ARG A 606 -2.554 -3.672 -9.484 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.832 -5.311 -10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.511 -4.483 -12.883 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.810 -5.657 -12.802 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.168 -3.831 -11.580 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.918 -2.714 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.421 -2.520 -13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.330 -3.738 -14.483 1.00 0.00 H new ATOM 0 HE ARG A 606 -6.498 -4.981 -13.025 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.671 -3.376 -16.058 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -6.937 -4.201 -16.974 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -8.121 -6.039 -14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -8.319 -5.702 -15.932 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.347 -6.711 -9.920 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.550 -7.929 -9.838 1.00 0.00 C ATOM 1158 C LYS A 607 -1.319 -9.036 -9.124 1.00 0.00 C ATOM 1159 O LYS A 607 -2.185 -8.767 -8.291 1.00 0.00 O ATOM 1160 CB LYS A 607 0.765 -7.653 -9.106 1.00 0.00 C ATOM 1161 CG LYS A 607 1.895 -7.222 -10.025 1.00 0.00 C ATOM 1162 CD LYS A 607 2.451 -8.397 -10.812 1.00 0.00 C ATOM 1163 CE LYS A 607 3.373 -9.254 -9.958 1.00 0.00 C ATOM 1164 NZ LYS A 607 4.196 -10.179 -10.786 1.00 0.00 N ATOM 0 H LYS A 607 -1.212 -6.066 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.332 -8.260 -10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.599 -6.876 -8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 607 1.068 -8.552 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.534 -6.459 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.692 -6.768 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.629 -9.007 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.996 -8.029 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.029 -8.610 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.779 -9.832 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.811 -10.745 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.571 -10.811 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 4.782 -9.627 -11.445 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.997 -10.282 -9.455 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.656 -11.431 -8.844 1.00 0.00 C ATOM 1180 C LYS A 608 -0.943 -11.846 -7.561 1.00 0.00 C ATOM 1181 O LYS A 608 0.263 -11.649 -7.415 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.689 -12.605 -9.824 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.704 -12.436 -10.941 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.765 -13.668 -11.831 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.411 -13.355 -13.172 1.00 0.00 C ATOM 1186 NZ LYS A 608 -3.116 -14.403 -14.187 1.00 0.00 N ATOM 0 H LYS A 608 -0.283 -10.522 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.678 -11.144 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.698 -12.731 -10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -1.914 -13.519 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.688 -12.246 -10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.444 -11.565 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.758 -14.052 -11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.329 -14.454 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -4.490 -13.267 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.053 -12.390 -13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -3.574 -14.153 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -2.088 -14.470 -14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -3.480 -15.319 -13.856 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.698 -12.424 -6.632 1.00 0.00 N ATOM 1201 CA LEU A 609 -1.139 -12.869 -5.360 1.00 0.00 C ATOM 1202 C LEU A 609 -1.931 -14.047 -4.800 1.00 0.00 C ATOM 1203 O LEU A 609 -3.095 -13.904 -4.429 1.00 0.00 O ATOM 1204 CB LEU A 609 -1.133 -11.719 -4.352 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.278 -11.926 -3.102 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.255 -10.662 -2.256 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.795 -13.105 -2.291 1.00 0.00 C ATOM 0 H LEU A 609 -2.698 -12.595 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 609 -0.114 -13.194 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.786 -10.819 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -2.160 -11.532 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 609 0.742 -12.147 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.358 -10.828 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.164 -9.842 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.271 -10.409 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -0.174 -13.237 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.824 -12.914 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.757 -14.009 -2.899 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.290 -15.209 -4.740 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.934 -16.411 -4.224 1.00 0.00 C ATOM 1221 C ASN A 610 -3.158 -16.774 -5.058 1.00 0.00 C ATOM 1222 O ASN A 610 -4.108 -17.372 -4.556 1.00 0.00 O ATOM 1223 CB ASN A 610 -2.340 -16.209 -2.762 1.00 0.00 C ATOM 1224 CG ASN A 610 -1.177 -16.399 -1.807 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -0.014 -16.318 -2.205 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.486 -16.653 -0.541 1.00 0.00 N ATOM 0 H ASN A 610 -0.325 -15.344 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 610 -1.219 -17.231 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.749 -15.207 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -3.134 -16.912 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.746 -16.790 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -2.464 -16.711 -0.256 1.00 0.00 H new ATOM 1233 N GLY A 611 -3.126 -16.407 -6.335 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.239 -16.704 -7.220 1.00 0.00 C ATOM 1235 C GLY A 611 -5.370 -15.704 -7.081 1.00 0.00 C ATOM 1236 O GLY A 611 -6.513 -15.999 -7.431 1.00 0.00 O ATOM 0 H GLY A 611 -2.351 -15.910 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.888 -16.710 -8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.614 -17.705 -7.005 1.00 0.00 H new ATOM 1240 N ARG A 612 -5.053 -14.520 -6.568 1.00 0.00 N ATOM 1241 CA ARG A 612 -6.052 -13.475 -6.383 1.00 0.00 C ATOM 1242 C ARG A 612 -5.538 -12.132 -6.893 1.00 0.00 C ATOM 1243 O ARG A 612 -4.452 -11.690 -6.518 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.431 -13.359 -4.905 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.589 -14.257 -4.500 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.379 -13.661 -3.346 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.406 -12.731 -3.809 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.108 -11.948 -2.998 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.895 -11.983 -1.689 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -11.025 -11.127 -3.495 1.00 0.00 N ATOM 0 H ARG A 612 -4.112 -14.260 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.936 -13.748 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.561 -13.605 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.692 -12.324 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.249 -14.409 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.208 -15.237 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.847 -14.463 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -7.699 -13.143 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 612 -9.594 -12.680 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.191 -12.612 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -10.435 -11.381 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -11.191 -11.097 -4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.563 -10.526 -2.871 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.324 -11.491 -7.751 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.946 -10.199 -8.314 1.00 0.00 C ATOM 1266 C GLU A 613 -5.687 -9.179 -7.209 1.00 0.00 C ATOM 1267 O GLU A 613 -6.484 -9.035 -6.283 1.00 0.00 O ATOM 1268 CB GLU A 613 -7.041 -9.686 -9.250 1.00 0.00 C ATOM 1269 CG GLU A 613 -7.389 -10.653 -10.369 1.00 0.00 C ATOM 1270 CD GLU A 613 -6.468 -10.515 -11.567 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -5.327 -10.042 -11.388 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -6.891 -10.881 -12.684 1.00 0.00 O ATOM 0 H GLU A 613 -7.226 -11.844 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 613 -5.026 -10.334 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.939 -9.481 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.721 -8.740 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -7.337 -11.674 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -8.418 -10.482 -10.685 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.566 -8.473 -7.315 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.202 -7.466 -6.326 1.00 0.00 C ATOM 1281 C ALA A 614 -4.152 -6.076 -6.951 1.00 0.00 C ATOM 1282 O ALA A 614 -3.765 -5.919 -8.110 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.863 -7.810 -5.691 1.00 0.00 C ATOM 0 H ALA A 614 -3.895 -8.580 -8.075 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.968 -7.460 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.604 -7.050 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.931 -8.781 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.093 -7.846 -6.462 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.545 -5.070 -6.178 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.548 -3.693 -6.657 1.00 0.00 C ATOM 1291 C PHE A 615 -3.637 -2.817 -5.800 1.00 0.00 C ATOM 1292 O PHE A 615 -3.533 -3.010 -4.589 1.00 0.00 O ATOM 1293 CB PHE A 615 -5.970 -3.130 -6.650 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.894 -3.822 -7.611 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.528 -4.003 -8.935 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.128 -4.291 -7.189 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.377 -4.638 -9.821 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.980 -4.928 -8.071 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.604 -5.103 -9.388 1.00 0.00 C ATOM 0 H PHE A 615 -4.866 -5.182 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.170 -3.690 -7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.379 -3.211 -5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -5.933 -2.068 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.569 -3.644 -9.278 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.427 -4.157 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.082 -4.771 -10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -9.939 -5.289 -7.730 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.268 -5.602 -10.078 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.980 -1.854 -6.439 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.079 -0.948 -5.736 1.00 0.00 C ATOM 1311 C VAL A 616 -2.474 0.507 -5.965 1.00 0.00 C ATOM 1312 O VAL A 616 -3.046 0.851 -7.001 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.619 -1.149 -6.185 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.291 -0.135 -5.510 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.162 -2.570 -5.889 1.00 0.00 C ATOM 0 H VAL A 616 -3.055 -1.681 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.160 -1.181 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.562 -0.991 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.318 -0.292 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 616 -0.026 0.873 -5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.234 -0.258 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.871 -2.695 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.232 -2.759 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.797 -3.276 -6.424 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.165 1.358 -4.993 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.486 2.777 -5.088 1.00 0.00 C ATOM 1327 C HIS A 617 -1.345 3.630 -4.544 1.00 0.00 C ATOM 1328 O HIS A 617 -0.555 3.175 -3.717 1.00 0.00 O ATOM 1329 CB HIS A 617 -3.775 3.082 -4.323 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.001 2.505 -4.961 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -5.527 1.279 -4.609 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -5.807 2.992 -5.934 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.602 1.037 -5.339 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -6.794 2.062 -6.149 1.00 0.00 N ATOM 0 H HIS A 617 -1.692 1.090 -4.130 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.629 3.022 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -3.686 2.693 -3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -3.892 4.163 -4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.694 3.936 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.218 0.152 -5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.553 2.149 -6.825 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.264 4.871 -5.015 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.220 5.789 -4.576 1.00 0.00 C ATOM 1344 C VAL A 618 -0.817 7.066 -3.997 1.00 0.00 C ATOM 1345 O VAL A 618 -1.500 7.817 -4.695 1.00 0.00 O ATOM 1346 CB VAL A 618 0.727 6.157 -5.735 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.846 7.062 -5.243 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.291 4.900 -6.381 1.00 0.00 C ATOM 0 H VAL A 618 -1.909 5.263 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 618 0.348 5.274 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 618 0.157 6.701 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.505 7.311 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.420 7.977 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.417 6.547 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.958 5.178 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.846 4.327 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.474 4.293 -6.771 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.555 7.308 -2.716 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.067 8.495 -2.042 1.00 0.00 C ATOM 1360 C VAL A 619 0.009 9.142 -1.178 1.00 0.00 C ATOM 1361 O VAL A 619 1.095 8.589 -0.998 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.285 8.161 -1.161 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.431 7.637 -2.012 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.903 7.154 -0.086 1.00 0.00 C ATOM 0 H VAL A 619 0.009 6.698 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.373 9.193 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.619 9.075 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.283 7.406 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.719 8.395 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.114 6.734 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.775 6.929 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.544 6.238 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -1.116 7.572 0.541 1.00 0.00 H new ATOM 1374 N THR A 620 -0.298 10.321 -0.643 1.00 0.00 N ATOM 1375 CA THR A 620 0.643 11.045 0.202 1.00 0.00 C ATOM 1376 C THR A 620 0.859 10.323 1.528 1.00 0.00 C ATOM 1377 O THR A 620 0.105 9.416 1.882 1.00 0.00 O ATOM 1378 CB THR A 620 0.157 12.479 0.484 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.223 12.462 0.865 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.340 13.363 -0.741 1.00 0.00 C ATOM 0 H THR A 620 -1.191 10.794 -0.781 1.00 0.00 H new ATOM 0 HA THR A 620 1.586 11.090 -0.342 1.00 0.00 H new ATOM 0 HB THR A 620 0.753 12.888 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.524 13.377 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.010 14.371 -0.518 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.396 13.397 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.234 12.955 -1.573 1.00 0.00 H new ATOM 1388 N LEU A 621 1.891 10.732 2.257 1.00 0.00 N ATOM 1389 CA LEU A 621 2.206 10.125 3.546 1.00 0.00 C ATOM 1390 C LEU A 621 1.028 10.248 4.508 1.00 0.00 C ATOM 1391 O LEU A 621 0.488 9.246 4.974 1.00 0.00 O ATOM 1392 CB LEU A 621 3.446 10.783 4.153 1.00 0.00 C ATOM 1393 CG LEU A 621 4.092 10.044 5.326 1.00 0.00 C ATOM 1394 CD1 LEU A 621 5.579 10.354 5.398 1.00 0.00 C ATOM 1395 CD2 LEU A 621 3.404 10.413 6.632 1.00 0.00 C ATOM 0 H LEU A 621 2.524 11.481 1.978 1.00 0.00 H new ATOM 0 HA LEU A 621 2.408 9.067 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.193 10.899 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.175 11.785 4.486 1.00 0.00 H new ATOM 0 HG LEU A 621 3.973 8.972 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 621 6.022 9.820 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 621 6.062 10.039 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 621 5.721 11.426 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 621 3.876 9.878 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.492 11.487 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 621 2.350 10.139 6.578 1.00 0.00 H new ATOM 1407 N GLU A 622 0.635 11.485 4.798 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.480 11.737 5.703 1.00 0.00 C ATOM 1409 C GLU A 622 -1.629 10.771 5.434 1.00 0.00 C ATOM 1410 O GLU A 622 -2.048 10.026 6.320 1.00 0.00 O ATOM 1411 CB GLU A 622 -0.967 13.181 5.557 1.00 0.00 C ATOM 1412 CG GLU A 622 -2.021 13.574 6.578 1.00 0.00 C ATOM 1413 CD GLU A 622 -2.736 14.860 6.212 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -2.158 15.667 5.455 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -3.876 15.059 6.684 1.00 0.00 O ATOM 0 H GLU A 622 1.071 12.326 4.420 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.129 11.580 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.115 13.854 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.374 13.319 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.751 12.770 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -1.551 13.689 7.554 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.136 10.791 4.206 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.237 9.916 3.819 1.00 0.00 C ATOM 1424 C ASP A 623 -3.072 8.530 4.434 1.00 0.00 C ATOM 1425 O ASP A 623 -4.047 7.904 4.847 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.318 9.806 2.295 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.479 8.946 1.838 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.031 8.199 2.674 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -4.839 9.022 0.645 1.00 0.00 O ATOM 0 H ASP A 623 -1.802 11.403 3.462 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.163 10.351 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -3.418 10.803 1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -2.387 9.387 1.914 1.00 0.00 H new ATOM 1434 N MET A 624 -1.831 8.057 4.489 1.00 0.00 N ATOM 1435 CA MET A 624 -1.539 6.744 5.054 1.00 0.00 C ATOM 1436 C MET A 624 -1.915 6.691 6.530 1.00 0.00 C ATOM 1437 O MET A 624 -2.578 5.755 6.979 1.00 0.00 O ATOM 1438 CB MET A 624 -0.055 6.410 4.882 1.00 0.00 C ATOM 1439 CG MET A 624 0.287 4.968 5.220 1.00 0.00 C ATOM 1440 SD MET A 624 2.060 4.645 5.173 1.00 0.00 S ATOM 1441 CE MET A 624 2.519 5.032 6.860 1.00 0.00 C ATOM 0 H MET A 624 -1.012 8.562 4.150 1.00 0.00 H new ATOM 0 HA MET A 624 -2.136 6.005 4.519 1.00 0.00 H new ATOM 0 HB2 MET A 624 0.237 6.612 3.852 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.534 7.073 5.516 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.095 4.731 6.213 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.218 4.305 4.518 1.00 0.00 H new ATOM 0 HE1 MET A 624 3.575 5.298 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.921 5.871 7.217 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.340 4.164 7.494 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.490 7.702 7.282 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.782 7.768 8.709 1.00 0.00 C ATOM 1453 C ARG A 625 -3.285 7.866 8.952 1.00 0.00 C ATOM 1454 O ARG A 625 -3.800 7.335 9.936 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.074 8.968 9.341 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.894 8.847 10.845 1.00 0.00 C ATOM 1457 CD ARG A 625 -2.148 9.274 11.591 1.00 0.00 C ATOM 1458 NE ARG A 625 -1.858 9.678 12.964 1.00 0.00 N ATOM 1459 CZ ARG A 625 -1.269 10.825 13.285 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -0.912 11.679 12.334 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -1.039 11.121 14.557 1.00 0.00 N ATOM 0 H ARG A 625 -0.943 8.486 6.927 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.415 6.852 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.096 9.088 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.644 9.871 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.650 7.816 11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.053 9.463 11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -2.620 10.102 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.863 8.451 11.599 1.00 0.00 H new ATOM 0 HE ARG A 625 -2.122 9.045 13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -1.090 11.455 11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 625 -0.460 12.559 12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.314 10.468 15.290 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -0.587 12.002 14.802 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.982 8.548 8.050 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.426 8.715 8.168 1.00 0.00 C ATOM 1477 C GLU A 626 -6.149 7.393 7.931 1.00 0.00 C ATOM 1478 O GLU A 626 -6.950 6.955 8.755 1.00 0.00 O ATOM 1479 CB GLU A 626 -5.923 9.767 7.173 1.00 0.00 C ATOM 1480 CG GLU A 626 -5.885 11.185 7.718 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.965 11.443 8.751 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -6.782 11.032 9.915 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.993 12.056 8.393 1.00 0.00 O ATOM 0 H GLU A 626 -3.571 8.994 7.230 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.645 9.051 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.314 9.717 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -6.945 9.526 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.908 11.372 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.000 11.890 6.894 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.860 6.763 6.797 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.481 5.492 6.450 1.00 0.00 C ATOM 1492 C ILE A 627 -6.362 4.492 7.595 1.00 0.00 C ATOM 1493 O ILE A 627 -7.293 3.736 7.871 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.848 4.882 5.185 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.117 5.776 3.973 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.388 3.480 4.946 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.267 5.435 2.769 1.00 0.00 C ATOM 0 H ILE A 627 -5.199 7.113 6.103 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.534 5.698 6.257 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.770 4.815 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.169 5.696 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.938 6.815 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.931 3.062 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.151 2.848 5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.469 3.524 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.512 6.109 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.213 5.543 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.463 4.407 2.465 1.00 0.00 H new ATOM 1509 N GLU A 628 -5.211 4.495 8.261 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.972 3.589 9.377 1.00 0.00 C ATOM 1511 C GLU A 628 -5.993 3.815 10.489 1.00 0.00 C ATOM 1512 O GLU A 628 -6.331 2.894 11.233 1.00 0.00 O ATOM 1513 CB GLU A 628 -3.556 3.779 9.925 1.00 0.00 C ATOM 1514 CG GLU A 628 -3.110 2.669 10.861 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.789 2.974 11.540 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -1.698 4.020 12.218 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -0.847 2.168 11.395 1.00 0.00 O ATOM 0 H GLU A 628 -4.430 5.115 8.046 1.00 0.00 H new ATOM 0 HA GLU A 628 -5.078 2.568 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.858 3.841 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -3.505 4.731 10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -3.876 2.509 11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -3.019 1.739 10.299 1.00 0.00 H new ATOM 1524 N LYS A 629 -6.478 5.047 10.597 1.00 0.00 N ATOM 1525 CA LYS A 629 -7.461 5.396 11.616 1.00 0.00 C ATOM 1526 C LYS A 629 -8.848 4.891 11.231 1.00 0.00 C ATOM 1527 O LYS A 629 -9.561 4.317 12.054 1.00 0.00 O ATOM 1528 CB LYS A 629 -7.497 6.912 11.821 1.00 0.00 C ATOM 1529 CG LYS A 629 -6.184 7.489 12.321 1.00 0.00 C ATOM 1530 CD LYS A 629 -6.070 7.390 13.833 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.618 7.324 14.280 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.002 6.005 13.969 1.00 0.00 N ATOM 0 H LYS A 629 -6.206 5.821 9.991 1.00 0.00 H new ATOM 0 HA LYS A 629 -7.166 4.916 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -7.759 7.392 10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -8.286 7.155 12.533 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -5.353 6.958 11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -6.105 8.533 12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.554 8.252 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -6.600 6.503 14.181 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.051 8.115 13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -4.559 7.508 15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.133 5.887 14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -4.671 5.245 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -3.771 5.960 12.956 1.00 0.00 H new