USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 465 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 598 ASN : amide:sc= -0.0481 X(o=-0.1,f=-0.012) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -169:sc= -0.0544 (180deg=0) USER MOD Set 2.1: A 575 CYS SG : rot 177:sc= -4.47! USER MOD Set 2.2: A 578 CYS SG : rot -97:sc= -3.97! USER MOD Set 2.3: A 596 CYS SG : rot 180:sc= -6.73! USER MOD Set 2.4: A 599 CYS SG : rot 115:sc= 0.781 USER MOD Set 3.1: A 549 CYS SG : rot -48:sc= 0.142 USER MOD Set 3.2: A 552 CYS SG : rot 130:sc= 1.03 USER MOD Set 3.3: A 569 HIS : no HD1:sc= -3.71 K(o=-4.4,f=-8.5!) USER MOD Set 3.4: A 572 HIS : no HD1:sc= -1.91! K(o=-4.4!,f=-9.5) USER MOD Single : A 547 SER OG : rot 170:sc= -0.153 USER MOD Single : A 550 SER OG : rot -60:sc= -0.319 USER MOD Single : A 553 GLN : amide:sc= -5.36! K(o=-5.4!,f=-2.3) USER MOD Single : A 554 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0835) USER MOD Single : A 557 THR OG1 : rot 47:sc= 0.515 USER MOD Single : A 560 CYS SG : rot 21:sc= 0.88 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -120:sc= -0.241 (180deg=-4.77!) USER MOD Single : A 566 LYS NZ :NH3+ -140:sc= -0.109 (180deg=-0.919) USER MOD Single : A 567 LYS NZ :NH3+ -102:sc= 0.0525 (180deg=-2.05!) USER MOD Single : A 580 LYS NZ :NH3+ 158:sc=-0.00337 (180deg=-0.135) USER MOD Single : A 581 GLN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 583 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.4) USER MOD Single : A 584 LYS NZ :NH3+ -129:sc= 1.2 (180deg=-0.974) USER MOD Single : A 586 THR OG1 : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN : amide:sc= -2.32 K(o=-2.3,f=-0.41) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 593 LYS NZ :NH3+ -174:sc= 0.953 (180deg=0.864) USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 GLN : amide:sc= -3.99! C(o=-4!,f=-2.2!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0533 USER MOD ----------------------------------------------------------------- ATOM 109 N SER A 547 47.807 2.629 -7.586 1.00 0.00 N ATOM 110 CA SER A 547 48.181 2.672 -6.142 1.00 0.00 C ATOM 111 C SER A 547 49.049 3.905 -5.891 1.00 0.00 C ATOM 112 O SER A 547 50.076 4.082 -6.513 1.00 0.00 O ATOM 113 CB SER A 547 48.968 1.410 -5.783 1.00 0.00 C ATOM 114 OG SER A 547 48.192 0.608 -4.902 1.00 0.00 O ATOM 0 HA SER A 547 47.282 2.723 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.210 0.849 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.913 1.679 -5.311 1.00 0.00 H new ATOM 0 HG SER A 547 48.617 -0.269 -4.797 1.00 0.00 H new ATOM 120 N LEU A 548 48.645 4.764 -4.993 1.00 0.00 N ATOM 121 CA LEU A 548 49.453 5.988 -4.720 1.00 0.00 C ATOM 122 C LEU A 548 50.752 5.610 -4.011 1.00 0.00 C ATOM 123 O LEU A 548 50.764 4.807 -3.099 1.00 0.00 O ATOM 124 CB LEU A 548 48.659 6.952 -3.833 1.00 0.00 C ATOM 125 CG LEU A 548 47.760 7.842 -4.701 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.859 6.973 -5.582 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.892 8.723 -3.798 1.00 0.00 C ATOM 0 H LEU A 548 47.794 4.672 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 548 49.684 6.472 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 548 48.052 6.390 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.342 7.569 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 548 48.384 8.470 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 548 46.224 7.612 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.475 6.348 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.235 6.340 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.253 9.356 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.273 8.092 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 548 47.532 9.349 -3.176 1.00 0.00 H new ATOM 139 N CYS A 549 51.840 6.204 -4.415 1.00 0.00 N ATOM 140 CA CYS A 549 53.144 5.912 -3.764 1.00 0.00 C ATOM 141 C CYS A 549 53.198 6.695 -2.466 1.00 0.00 C ATOM 142 O CYS A 549 53.255 7.909 -2.474 1.00 0.00 O ATOM 143 CB CYS A 549 54.285 6.356 -4.686 1.00 0.00 C ATOM 144 SG CYS A 549 55.681 6.997 -3.711 1.00 0.00 S ATOM 0 H CYS A 549 51.880 6.884 -5.174 1.00 0.00 H new ATOM 0 HA CYS A 549 53.248 4.845 -3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.616 5.515 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.928 7.126 -5.371 1.00 0.00 H new ATOM 0 HG CYS A 549 55.242 7.849 -2.832 1.00 0.00 H new ATOM 149 N SER A 550 53.169 6.023 -1.351 1.00 0.00 N ATOM 150 CA SER A 550 53.215 6.755 -0.061 1.00 0.00 C ATOM 151 C SER A 550 54.402 7.712 -0.111 1.00 0.00 C ATOM 152 O SER A 550 55.545 7.305 -0.174 1.00 0.00 O ATOM 153 CB SER A 550 53.369 5.777 1.098 1.00 0.00 C ATOM 154 OG SER A 550 52.278 4.866 1.091 1.00 0.00 O ATOM 0 H SER A 550 53.116 5.007 -1.278 1.00 0.00 H new ATOM 0 HA SER A 550 52.289 7.309 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.311 5.235 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.400 6.318 2.044 1.00 0.00 H new ATOM 0 HG SER A 550 51.438 5.361 1.191 1.00 0.00 H new ATOM 160 N GLY A 551 54.122 8.977 -0.136 1.00 0.00 N ATOM 161 CA GLY A 551 55.202 9.997 -0.242 1.00 0.00 C ATOM 162 C GLY A 551 54.925 10.835 -1.490 1.00 0.00 C ATOM 163 O GLY A 551 55.245 12.006 -1.553 1.00 0.00 O ATOM 0 H GLY A 551 53.177 9.358 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 551 55.221 10.628 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 551 56.178 9.516 -0.312 1.00 0.00 H new ATOM 167 N CYS A 552 54.315 10.229 -2.481 1.00 0.00 N ATOM 168 CA CYS A 552 53.984 10.958 -3.739 1.00 0.00 C ATOM 169 C CYS A 552 52.481 11.218 -3.795 1.00 0.00 C ATOM 170 O CYS A 552 52.031 12.160 -4.416 1.00 0.00 O ATOM 171 CB CYS A 552 54.368 10.095 -4.940 1.00 0.00 C ATOM 172 SG CYS A 552 56.059 10.475 -5.443 1.00 0.00 S ATOM 0 H CYS A 552 54.031 9.249 -2.468 1.00 0.00 H new ATOM 0 HA CYS A 552 54.530 11.901 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 552 54.283 9.039 -4.684 1.00 0.00 H new ATOM 0 HB3 CYS A 552 53.682 10.279 -5.767 1.00 0.00 H new ATOM 0 HG CYS A 552 56.733 9.370 -5.570 1.00 0.00 H new ATOM 177 N GLN A 553 51.701 10.373 -3.167 1.00 0.00 N ATOM 178 CA GLN A 553 50.220 10.544 -3.194 1.00 0.00 C ATOM 179 C GLN A 553 49.749 10.530 -4.652 1.00 0.00 C ATOM 180 O GLN A 553 48.754 11.132 -5.007 1.00 0.00 O ATOM 181 CB GLN A 553 49.833 11.868 -2.525 1.00 0.00 C ATOM 182 CG GLN A 553 50.112 11.781 -1.020 1.00 0.00 C ATOM 183 CD GLN A 553 51.615 11.911 -0.759 1.00 0.00 C ATOM 184 OE1 GLN A 553 52.269 12.776 -1.307 1.00 0.00 O ATOM 185 NE2 GLN A 553 52.194 11.082 0.064 1.00 0.00 N ATOM 0 H GLN A 553 52.031 9.568 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 553 49.743 9.730 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 553 50.400 12.689 -2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 553 48.778 12.081 -2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 553 49.574 12.570 -0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 553 49.747 10.832 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 553 51.647 10.355 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 553 53.194 11.160 0.247 1.00 0.00 H new ATOM 194 N LYS A 554 50.466 9.829 -5.491 1.00 0.00 N ATOM 195 CA LYS A 554 50.095 9.735 -6.931 1.00 0.00 C ATOM 196 C LYS A 554 50.191 8.268 -7.349 1.00 0.00 C ATOM 197 O LYS A 554 51.093 7.567 -6.930 1.00 0.00 O ATOM 198 CB LYS A 554 51.068 10.569 -7.773 1.00 0.00 C ATOM 199 CG LYS A 554 50.848 12.061 -7.502 1.00 0.00 C ATOM 200 CD LYS A 554 49.483 12.490 -8.048 1.00 0.00 C ATOM 201 CE LYS A 554 49.488 13.995 -8.327 1.00 0.00 C ATOM 202 NZ LYS A 554 50.203 14.261 -9.608 1.00 0.00 N ATOM 0 H LYS A 554 51.306 9.310 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 554 49.084 10.112 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 554 52.096 10.295 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 554 50.919 10.357 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 554 50.900 12.257 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 554 51.638 12.646 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 554 49.258 11.942 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 554 48.700 12.246 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.466 14.368 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 554 49.975 14.526 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 50.734 15.152 -9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 50.862 13.481 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 49.512 14.336 -10.382 1.00 0.00 H new ATOM 216 N PRO A 555 49.269 7.796 -8.154 1.00 0.00 N ATOM 217 CA PRO A 555 49.277 6.377 -8.594 1.00 0.00 C ATOM 218 C PRO A 555 50.650 5.886 -9.044 1.00 0.00 C ATOM 219 O PRO A 555 51.491 6.647 -9.485 1.00 0.00 O ATOM 220 CB PRO A 555 48.295 6.387 -9.756 1.00 0.00 C ATOM 221 CG PRO A 555 47.470 7.676 -9.671 1.00 0.00 C ATOM 222 CD PRO A 555 48.160 8.632 -8.686 1.00 0.00 C ATOM 0 HA PRO A 555 49.013 5.697 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 555 48.828 6.338 -10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 555 47.643 5.514 -9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 555 47.389 8.139 -10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 555 46.456 7.455 -9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 555 48.530 9.529 -9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.484 8.960 -7.897 1.00 0.00 H new ATOM 230 N ILE A 556 50.869 4.612 -8.921 1.00 0.00 N ATOM 231 CA ILE A 556 52.170 4.020 -9.317 1.00 0.00 C ATOM 232 C ILE A 556 51.988 3.256 -10.632 1.00 0.00 C ATOM 233 O ILE A 556 51.567 2.114 -10.648 1.00 0.00 O ATOM 234 CB ILE A 556 52.623 3.076 -8.202 1.00 0.00 C ATOM 235 CG1 ILE A 556 52.961 3.903 -6.951 1.00 0.00 C ATOM 236 CG2 ILE A 556 53.858 2.292 -8.653 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.831 3.035 -5.695 1.00 0.00 C ATOM 0 H ILE A 556 50.189 3.944 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 556 52.924 4.793 -9.465 1.00 0.00 H new ATOM 0 HB ILE A 556 51.823 2.372 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 556 53.975 4.295 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.292 4.761 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.175 1.622 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 556 53.614 1.709 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 556 54.665 2.987 -8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.073 3.630 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 556 51.809 2.664 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.519 2.192 -5.763 1.00 0.00 H new ATOM 249 N THR A 557 52.289 3.888 -11.736 1.00 0.00 N ATOM 250 CA THR A 557 52.125 3.217 -13.058 1.00 0.00 C ATOM 251 C THR A 557 53.327 2.308 -13.331 1.00 0.00 C ATOM 252 O THR A 557 54.385 2.758 -13.728 1.00 0.00 O ATOM 253 CB THR A 557 52.016 4.281 -14.155 1.00 0.00 C ATOM 254 OG1 THR A 557 53.092 5.200 -14.030 1.00 0.00 O ATOM 255 CG2 THR A 557 50.685 5.026 -14.015 1.00 0.00 C ATOM 0 H THR A 557 52.643 4.844 -11.778 1.00 0.00 H new ATOM 0 HA THR A 557 51.219 2.611 -13.049 1.00 0.00 H new ATOM 0 HB THR A 557 52.060 3.802 -15.133 1.00 0.00 H new ATOM 0 HG1 THR A 557 53.931 4.707 -13.912 1.00 0.00 H new ATOM 0 HG21 THR A 557 50.608 5.783 -14.796 1.00 0.00 H new ATOM 0 HG22 THR A 557 49.861 4.319 -14.112 1.00 0.00 H new ATOM 0 HG23 THR A 557 50.638 5.507 -13.038 1.00 0.00 H new ATOM 263 N GLY A 558 53.164 1.030 -13.110 1.00 0.00 N ATOM 264 CA GLY A 558 54.276 0.063 -13.337 1.00 0.00 C ATOM 265 C GLY A 558 54.443 -0.783 -12.078 1.00 0.00 C ATOM 266 O GLY A 558 53.492 -1.023 -11.357 1.00 0.00 O ATOM 0 H GLY A 558 52.296 0.611 -12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 558 54.057 -0.573 -14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 558 55.201 0.594 -13.562 1.00 0.00 H new ATOM 270 N ARG A 559 55.638 -1.222 -11.790 1.00 0.00 N ATOM 271 CA ARG A 559 55.850 -2.031 -10.558 1.00 0.00 C ATOM 272 C ARG A 559 55.481 -1.173 -9.350 1.00 0.00 C ATOM 273 O ARG A 559 55.415 0.038 -9.443 1.00 0.00 O ATOM 274 CB ARG A 559 57.320 -2.451 -10.466 1.00 0.00 C ATOM 275 CG ARG A 559 57.541 -3.742 -11.261 1.00 0.00 C ATOM 276 CD ARG A 559 57.612 -4.932 -10.300 1.00 0.00 C ATOM 277 NE ARG A 559 57.711 -6.197 -11.085 1.00 0.00 N ATOM 278 CZ ARG A 559 58.072 -7.310 -10.504 1.00 0.00 C ATOM 279 NH1 ARG A 559 58.157 -8.409 -11.201 1.00 0.00 N ATOM 280 NH2 ARG A 559 58.348 -7.328 -9.228 1.00 0.00 N ATOM 0 H ARG A 559 56.473 -1.056 -12.352 1.00 0.00 H new ATOM 0 HA ARG A 559 55.229 -2.927 -10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 559 57.959 -1.659 -10.856 1.00 0.00 H new ATOM 0 HB3 ARG A 559 57.600 -2.602 -9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 559 56.729 -3.885 -11.974 1.00 0.00 H new ATOM 0 HG3 ARG A 559 58.463 -3.672 -11.838 1.00 0.00 H new ATOM 0 HD2 ARG A 559 58.475 -4.831 -9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 559 56.727 -4.954 -9.664 1.00 0.00 H new ATOM 0 HE ARG A 559 57.495 -6.193 -12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 559 57.942 -8.399 -12.198 1.00 0.00 H new ATOM 0 HH12 ARG A 559 58.439 -9.279 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 559 58.282 -6.470 -8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 559 58.629 -8.200 -8.779 1.00 0.00 H new ATOM 294 N CYS A 560 55.231 -1.777 -8.223 1.00 0.00 N ATOM 295 CA CYS A 560 54.861 -0.973 -7.026 1.00 0.00 C ATOM 296 C CYS A 560 55.206 -1.740 -5.753 1.00 0.00 C ATOM 297 O CYS A 560 54.959 -2.925 -5.639 1.00 0.00 O ATOM 298 CB CYS A 560 53.360 -0.677 -7.057 1.00 0.00 C ATOM 299 SG CYS A 560 52.431 -2.204 -6.774 1.00 0.00 S ATOM 0 H CYS A 560 55.266 -2.786 -8.079 1.00 0.00 H new ATOM 0 HA CYS A 560 55.419 -0.037 -7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.109 0.059 -6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.084 -0.245 -8.019 1.00 0.00 H new ATOM 0 HG CYS A 560 53.194 -3.072 -6.180 1.00 0.00 H new ATOM 305 N ILE A 561 55.775 -1.063 -4.796 1.00 0.00 N ATOM 306 CA ILE A 561 56.144 -1.731 -3.518 1.00 0.00 C ATOM 307 C ILE A 561 54.988 -1.595 -2.527 1.00 0.00 C ATOM 308 O ILE A 561 54.273 -0.613 -2.528 1.00 0.00 O ATOM 309 CB ILE A 561 57.393 -1.065 -2.928 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.365 -0.687 -4.057 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.078 -2.031 -1.958 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.863 -1.949 -4.770 1.00 0.00 C ATOM 0 H ILE A 561 56.002 -0.070 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 561 56.350 -2.785 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 561 57.100 -0.162 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.868 -0.030 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.211 -0.133 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 561 58.966 -1.557 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.389 -2.288 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.367 -2.937 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 561 59.551 -1.669 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.378 -2.591 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.015 -2.486 -5.194 1.00 0.00 H new ATOM 324 N THR A 562 54.811 -2.571 -1.677 1.00 0.00 N ATOM 325 CA THR A 562 53.714 -2.507 -0.670 1.00 0.00 C ATOM 326 C THR A 562 54.314 -2.727 0.716 1.00 0.00 C ATOM 327 O THR A 562 54.695 -3.825 1.072 1.00 0.00 O ATOM 328 CB THR A 562 52.676 -3.594 -0.961 1.00 0.00 C ATOM 329 OG1 THR A 562 52.113 -3.375 -2.248 1.00 0.00 O ATOM 330 CG2 THR A 562 51.568 -3.546 0.096 1.00 0.00 C ATOM 0 H THR A 562 55.383 -3.415 -1.637 1.00 0.00 H new ATOM 0 HA THR A 562 53.225 -1.534 -0.716 1.00 0.00 H new ATOM 0 HB THR A 562 53.158 -4.571 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.449 -4.071 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 562 50.831 -4.321 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 562 51.999 -3.713 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.085 -2.569 0.072 1.00 0.00 H new ATOM 338 N ALA A 563 54.409 -1.687 1.496 1.00 0.00 N ATOM 339 CA ALA A 563 54.994 -1.823 2.859 1.00 0.00 C ATOM 340 C ALA A 563 53.880 -2.126 3.862 1.00 0.00 C ATOM 341 O ALA A 563 53.082 -3.020 3.658 1.00 0.00 O ATOM 342 CB ALA A 563 55.700 -0.517 3.232 1.00 0.00 C ATOM 0 H ALA A 563 54.106 -0.745 1.247 1.00 0.00 H new ATOM 0 HA ALA A 563 55.716 -2.639 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.131 -0.608 4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.492 -0.313 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 563 54.980 0.302 3.222 1.00 0.00 H new ATOM 348 N MET A 564 53.815 -1.385 4.937 1.00 0.00 N ATOM 349 CA MET A 564 52.748 -1.617 5.949 1.00 0.00 C ATOM 350 C MET A 564 51.420 -1.142 5.365 1.00 0.00 C ATOM 351 O MET A 564 50.797 -0.225 5.865 1.00 0.00 O ATOM 352 CB MET A 564 53.067 -0.815 7.210 1.00 0.00 C ATOM 353 CG MET A 564 54.417 -1.261 7.778 1.00 0.00 C ATOM 354 SD MET A 564 54.971 -0.071 9.026 1.00 0.00 S ATOM 355 CE MET A 564 56.752 -0.328 8.823 1.00 0.00 C ATOM 0 H MET A 564 54.460 -0.626 5.157 1.00 0.00 H new ATOM 0 HA MET A 564 52.689 -2.676 6.202 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.093 0.250 6.978 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.283 -0.961 7.953 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.327 -2.253 8.221 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.154 -1.334 6.978 1.00 0.00 H new ATOM 0 HE1 MET A 564 57.180 -0.669 9.766 1.00 0.00 H new ATOM 0 HE2 MET A 564 56.926 -1.080 8.053 1.00 0.00 H new ATOM 0 HE3 MET A 564 57.224 0.609 8.528 1.00 0.00 H new ATOM 365 N ALA A 565 51.012 -1.745 4.282 1.00 0.00 N ATOM 366 CA ALA A 565 49.747 -1.338 3.601 1.00 0.00 C ATOM 367 C ALA A 565 50.016 -0.053 2.816 1.00 0.00 C ATOM 368 O ALA A 565 49.218 0.374 2.004 1.00 0.00 O ATOM 369 CB ALA A 565 48.634 -1.101 4.631 1.00 0.00 C ATOM 0 H ALA A 565 51.508 -2.514 3.832 1.00 0.00 H new ATOM 0 HA ALA A 565 49.420 -2.130 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.720 -0.805 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.455 -2.019 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 565 48.936 -0.310 5.318 1.00 0.00 H new ATOM 375 N LYS A 566 51.152 0.554 3.051 1.00 0.00 N ATOM 376 CA LYS A 566 51.511 1.806 2.328 1.00 0.00 C ATOM 377 C LYS A 566 52.269 1.443 1.052 1.00 0.00 C ATOM 378 O LYS A 566 53.154 0.609 1.064 1.00 0.00 O ATOM 379 CB LYS A 566 52.407 2.664 3.223 1.00 0.00 C ATOM 380 CG LYS A 566 51.575 3.768 3.880 1.00 0.00 C ATOM 381 CD LYS A 566 52.483 4.640 4.751 1.00 0.00 C ATOM 382 CE LYS A 566 52.880 3.870 6.014 1.00 0.00 C ATOM 383 NZ LYS A 566 54.244 3.295 5.839 1.00 0.00 N ATOM 0 H LYS A 566 51.851 0.230 3.720 1.00 0.00 H new ATOM 0 HA LYS A 566 50.608 2.361 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 566 52.874 2.044 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.212 3.104 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.091 4.377 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.783 3.329 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 566 53.374 4.926 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.968 5.561 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.862 4.534 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.161 3.074 6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 54.272 2.338 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.473 3.247 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 54.940 3.898 6.323 1.00 0.00 H new ATOM 397 N LYS A 567 51.929 2.056 -0.050 1.00 0.00 N ATOM 398 CA LYS A 567 52.628 1.738 -1.324 1.00 0.00 C ATOM 399 C LYS A 567 53.772 2.724 -1.539 1.00 0.00 C ATOM 400 O LYS A 567 53.895 3.706 -0.839 1.00 0.00 O ATOM 401 CB LYS A 567 51.638 1.831 -2.486 1.00 0.00 C ATOM 402 CG LYS A 567 50.832 0.533 -2.568 1.00 0.00 C ATOM 403 CD LYS A 567 50.185 0.243 -1.209 1.00 0.00 C ATOM 404 CE LYS A 567 49.028 -0.739 -1.392 1.00 0.00 C ATOM 405 NZ LYS A 567 48.792 -1.473 -0.116 1.00 0.00 N ATOM 0 H LYS A 567 51.197 2.763 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 567 53.031 0.727 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 567 50.969 2.680 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.172 2.001 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.064 0.618 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.482 -0.293 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 567 50.924 -0.173 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.823 1.169 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.126 -0.204 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.258 -1.443 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.204 -2.426 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.238 -0.957 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 47.769 -1.550 0.056 1.00 0.00 H new ATOM 419 N PHE A 568 54.610 2.460 -2.500 1.00 0.00 N ATOM 420 CA PHE A 568 55.763 3.368 -2.771 1.00 0.00 C ATOM 421 C PHE A 568 56.239 3.152 -4.202 1.00 0.00 C ATOM 422 O PHE A 568 56.366 2.027 -4.648 1.00 0.00 O ATOM 423 CB PHE A 568 56.932 3.012 -1.842 1.00 0.00 C ATOM 424 CG PHE A 568 56.663 3.461 -0.424 1.00 0.00 C ATOM 425 CD1 PHE A 568 57.025 4.750 -0.014 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.069 2.578 0.488 1.00 0.00 C ATOM 427 CE1 PHE A 568 56.793 5.156 1.306 1.00 0.00 C ATOM 428 CE2 PHE A 568 55.834 2.986 1.806 1.00 0.00 C ATOM 429 CZ PHE A 568 56.197 4.274 2.216 1.00 0.00 C ATOM 0 H PHE A 568 54.547 1.649 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 568 55.447 4.399 -2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.098 1.935 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.846 3.481 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 568 57.483 5.431 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 568 55.793 1.582 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 568 57.074 6.150 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 568 55.372 2.307 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.018 4.588 3.234 1.00 0.00 H new ATOM 439 N HIS A 569 56.547 4.202 -4.917 1.00 0.00 N ATOM 440 CA HIS A 569 57.065 4.002 -6.297 1.00 0.00 C ATOM 441 C HIS A 569 58.311 3.123 -6.169 1.00 0.00 C ATOM 442 O HIS A 569 59.123 3.342 -5.291 1.00 0.00 O ATOM 443 CB HIS A 569 57.462 5.345 -6.923 1.00 0.00 C ATOM 444 CG HIS A 569 56.258 6.024 -7.517 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.777 7.222 -7.020 1.00 0.00 N ATOM 446 CD2 HIS A 569 55.440 5.699 -8.571 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.714 7.577 -7.765 1.00 0.00 C ATOM 448 NE2 HIS A 569 54.466 6.682 -8.724 1.00 0.00 N ATOM 0 H HIS A 569 56.464 5.171 -4.611 1.00 0.00 H new ATOM 0 HA HIS A 569 56.304 3.545 -6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 569 57.913 5.987 -6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.215 5.185 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 569 55.537 4.817 -9.186 1.00 0.00 H new ATOM 0 HE1 HIS A 569 54.134 8.474 -7.607 1.00 0.00 H new ATOM 0 HE2 HIS A 569 53.721 6.712 -9.421 1.00 0.00 H new ATOM 456 N PRO A 570 58.463 2.132 -7.007 1.00 0.00 N ATOM 457 CA PRO A 570 59.646 1.229 -6.931 1.00 0.00 C ATOM 458 C PRO A 570 60.975 1.991 -6.842 1.00 0.00 C ATOM 459 O PRO A 570 62.018 1.413 -6.605 1.00 0.00 O ATOM 460 CB PRO A 570 59.531 0.448 -8.237 1.00 0.00 C ATOM 461 CG PRO A 570 58.091 0.594 -8.741 1.00 0.00 C ATOM 462 CD PRO A 570 57.480 1.834 -8.082 1.00 0.00 C ATOM 0 HA PRO A 570 59.649 0.606 -6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 570 60.235 0.831 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 570 59.776 -0.602 -8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.076 0.693 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 570 57.509 -0.294 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.381 2.662 -8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.486 1.635 -7.682 1.00 0.00 H new ATOM 470 N GLU A 571 60.934 3.285 -7.016 1.00 0.00 N ATOM 471 CA GLU A 571 62.175 4.106 -6.930 1.00 0.00 C ATOM 472 C GLU A 571 62.076 5.066 -5.736 1.00 0.00 C ATOM 473 O GLU A 571 63.057 5.659 -5.329 1.00 0.00 O ATOM 474 CB GLU A 571 62.338 4.914 -8.220 1.00 0.00 C ATOM 475 CG GLU A 571 61.118 5.819 -8.413 1.00 0.00 C ATOM 476 CD GLU A 571 61.356 6.761 -9.595 1.00 0.00 C ATOM 477 OE1 GLU A 571 61.163 6.330 -10.720 1.00 0.00 O ATOM 478 OE2 GLU A 571 61.726 7.899 -9.354 1.00 0.00 O ATOM 0 H GLU A 571 60.084 3.813 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 571 63.036 3.450 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.246 5.515 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.444 4.242 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.229 5.214 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.934 6.396 -7.507 1.00 0.00 H new ATOM 485 N HIS A 572 60.902 5.226 -5.170 1.00 0.00 N ATOM 486 CA HIS A 572 60.751 6.150 -4.004 1.00 0.00 C ATOM 487 C HIS A 572 60.751 5.338 -2.711 1.00 0.00 C ATOM 488 O HIS A 572 60.909 5.875 -1.632 1.00 0.00 O ATOM 489 CB HIS A 572 59.448 6.950 -4.132 1.00 0.00 C ATOM 490 CG HIS A 572 59.562 7.858 -5.328 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.460 8.423 -5.964 1.00 0.00 N ATOM 492 CD2 HIS A 572 60.660 8.302 -6.027 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.924 9.161 -6.991 1.00 0.00 C ATOM 494 NE2 HIS A 572 60.253 9.119 -7.072 1.00 0.00 N ATOM 0 H HIS A 572 60.046 4.757 -5.465 1.00 0.00 H new ATOM 0 HA HIS A 572 61.586 6.851 -3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.599 6.276 -4.247 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.271 7.534 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 572 61.685 8.052 -5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 572 58.294 9.720 -7.667 1.00 0.00 H new ATOM 0 HE2 HIS A 572 60.846 9.588 -7.757 1.00 0.00 H new ATOM 502 N PHE A 573 60.607 4.044 -2.815 1.00 0.00 N ATOM 503 CA PHE A 573 60.636 3.191 -1.599 1.00 0.00 C ATOM 504 C PHE A 573 62.089 3.094 -1.148 1.00 0.00 C ATOM 505 O PHE A 573 62.823 2.222 -1.568 1.00 0.00 O ATOM 506 CB PHE A 573 60.105 1.796 -1.935 1.00 0.00 C ATOM 507 CG PHE A 573 60.064 0.947 -0.683 1.00 0.00 C ATOM 508 CD1 PHE A 573 60.745 -0.276 -0.643 1.00 0.00 C ATOM 509 CD2 PHE A 573 59.343 1.382 0.438 1.00 0.00 C ATOM 510 CE1 PHE A 573 60.705 -1.063 0.514 1.00 0.00 C ATOM 511 CE2 PHE A 573 59.305 0.594 1.595 1.00 0.00 C ATOM 512 CZ PHE A 573 59.986 -0.628 1.632 1.00 0.00 C ATOM 0 H PHE A 573 60.470 3.543 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 573 60.014 3.617 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.107 1.871 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.742 1.325 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 573 61.301 -0.612 -1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 573 58.817 2.325 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 573 61.230 -2.007 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 573 58.750 0.929 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 573 59.956 -1.236 2.524 1.00 0.00 H new ATOM 522 N VAL A 574 62.515 4.008 -0.326 1.00 0.00 N ATOM 523 CA VAL A 574 63.934 3.999 0.129 1.00 0.00 C ATOM 524 C VAL A 574 64.023 3.592 1.601 1.00 0.00 C ATOM 525 O VAL A 574 63.027 3.456 2.287 1.00 0.00 O ATOM 526 CB VAL A 574 64.536 5.396 -0.052 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.468 5.800 -1.529 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.752 6.409 0.791 1.00 0.00 C ATOM 0 H VAL A 574 61.943 4.763 0.052 1.00 0.00 H new ATOM 0 HA VAL A 574 64.490 3.276 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 574 65.577 5.383 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.897 6.794 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 574 65.030 5.084 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.428 5.810 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 574 64.183 7.402 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.710 6.420 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.805 6.126 1.842 1.00 0.00 H new ATOM 538 N CYS A 575 65.222 3.397 2.082 1.00 0.00 N ATOM 539 CA CYS A 575 65.420 2.994 3.503 1.00 0.00 C ATOM 540 C CYS A 575 65.262 4.211 4.413 1.00 0.00 C ATOM 541 O CYS A 575 65.846 5.250 4.176 1.00 0.00 O ATOM 542 CB CYS A 575 66.833 2.432 3.662 1.00 0.00 C ATOM 543 SG CYS A 575 67.230 2.252 5.420 1.00 0.00 S ATOM 0 H CYS A 575 66.082 3.501 1.544 1.00 0.00 H new ATOM 0 HA CYS A 575 64.680 2.242 3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 575 66.908 1.466 3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.554 3.095 3.183 1.00 0.00 H new ATOM 0 HG CYS A 575 68.407 1.714 5.546 1.00 0.00 H new ATOM 548 N ALA A 576 64.488 4.087 5.460 1.00 0.00 N ATOM 549 CA ALA A 576 64.304 5.236 6.398 1.00 0.00 C ATOM 550 C ALA A 576 65.588 5.439 7.219 1.00 0.00 C ATOM 551 O ALA A 576 65.546 5.711 8.404 1.00 0.00 O ATOM 552 CB ALA A 576 63.130 4.945 7.336 1.00 0.00 C ATOM 0 H ALA A 576 63.975 3.240 5.706 1.00 0.00 H new ATOM 0 HA ALA A 576 64.095 6.142 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 576 62.995 5.782 8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.222 4.806 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.336 4.039 7.907 1.00 0.00 H new ATOM 558 N PHE A 577 66.726 5.315 6.586 1.00 0.00 N ATOM 559 CA PHE A 577 68.026 5.502 7.296 1.00 0.00 C ATOM 560 C PHE A 577 69.018 6.138 6.326 1.00 0.00 C ATOM 561 O PHE A 577 69.489 7.239 6.531 1.00 0.00 O ATOM 562 CB PHE A 577 68.566 4.142 7.750 1.00 0.00 C ATOM 563 CG PHE A 577 69.518 4.328 8.909 1.00 0.00 C ATOM 564 CD1 PHE A 577 69.035 4.749 10.155 1.00 0.00 C ATOM 565 CD2 PHE A 577 70.886 4.077 8.739 1.00 0.00 C ATOM 566 CE1 PHE A 577 69.918 4.919 11.228 1.00 0.00 C ATOM 567 CE2 PHE A 577 71.768 4.247 9.812 1.00 0.00 C ATOM 568 CZ PHE A 577 71.284 4.668 11.056 1.00 0.00 C ATOM 0 H PHE A 577 66.810 5.089 5.595 1.00 0.00 H new ATOM 0 HA PHE A 577 67.885 6.140 8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.741 3.494 8.046 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.078 3.650 6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 577 67.981 4.943 10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 577 71.260 3.752 7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 577 69.545 5.244 12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 577 72.822 4.053 9.680 1.00 0.00 H new ATOM 0 HZ PHE A 577 71.965 4.799 11.884 1.00 0.00 H new ATOM 578 N CYS A 578 69.322 5.446 5.262 1.00 0.00 N ATOM 579 CA CYS A 578 70.271 5.991 4.250 1.00 0.00 C ATOM 580 C CYS A 578 69.468 6.641 3.121 1.00 0.00 C ATOM 581 O CYS A 578 69.973 7.460 2.377 1.00 0.00 O ATOM 582 CB CYS A 578 71.128 4.854 3.688 1.00 0.00 C ATOM 583 SG CYS A 578 70.083 3.416 3.352 1.00 0.00 S ATOM 0 H CYS A 578 68.951 4.520 5.049 1.00 0.00 H new ATOM 0 HA CYS A 578 70.923 6.732 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.624 5.177 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.911 4.589 4.399 1.00 0.00 H new ATOM 0 HG CYS A 578 70.156 2.584 4.348 1.00 0.00 H new ATOM 588 N LEU A 579 68.213 6.282 3.003 1.00 0.00 N ATOM 589 CA LEU A 579 67.339 6.867 1.939 1.00 0.00 C ATOM 590 C LEU A 579 67.980 6.686 0.559 1.00 0.00 C ATOM 591 O LEU A 579 67.629 7.362 -0.389 1.00 0.00 O ATOM 592 CB LEU A 579 67.121 8.360 2.214 1.00 0.00 C ATOM 593 CG LEU A 579 66.450 8.539 3.582 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.489 8.986 4.612 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.349 9.600 3.476 1.00 0.00 C ATOM 0 H LEU A 579 67.752 5.601 3.606 1.00 0.00 H new ATOM 0 HA LEU A 579 66.380 6.349 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 579 68.075 8.887 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 579 66.499 8.797 1.433 1.00 0.00 H new ATOM 0 HG LEU A 579 66.015 7.590 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.009 9.112 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.272 8.232 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.928 9.933 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 579 64.872 9.728 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 579 65.786 10.547 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.605 9.281 2.746 1.00 0.00 H new ATOM 607 N LYS A 580 68.910 5.775 0.434 1.00 0.00 N ATOM 608 CA LYS A 580 69.561 5.551 -0.890 1.00 0.00 C ATOM 609 C LYS A 580 68.556 4.879 -1.832 1.00 0.00 C ATOM 610 O LYS A 580 68.301 5.346 -2.925 1.00 0.00 O ATOM 611 CB LYS A 580 70.794 4.655 -0.710 1.00 0.00 C ATOM 612 CG LYS A 580 70.377 3.294 -0.136 1.00 0.00 C ATOM 613 CD LYS A 580 71.593 2.591 0.474 1.00 0.00 C ATOM 614 CE LYS A 580 71.770 1.216 -0.174 1.00 0.00 C ATOM 615 NZ LYS A 580 72.171 1.386 -1.600 1.00 0.00 N ATOM 0 H LYS A 580 69.246 5.178 1.190 1.00 0.00 H new ATOM 0 HA LYS A 580 69.876 6.504 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.295 4.516 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.509 5.136 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.606 3.430 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.945 2.675 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.488 3.194 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.461 2.483 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.528 0.644 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.840 0.650 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.643 0.521 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.326 1.565 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.824 2.191 -1.683 1.00 0.00 H new ATOM 629 N GLN A 581 67.983 3.788 -1.399 1.00 0.00 N ATOM 630 CA GLN A 581 66.986 3.058 -2.227 1.00 0.00 C ATOM 631 C GLN A 581 66.531 1.841 -1.433 1.00 0.00 C ATOM 632 O GLN A 581 67.193 1.424 -0.502 1.00 0.00 O ATOM 633 CB GLN A 581 67.620 2.602 -3.547 1.00 0.00 C ATOM 634 CG GLN A 581 66.693 2.955 -4.715 1.00 0.00 C ATOM 635 CD GLN A 581 66.184 1.675 -5.377 1.00 0.00 C ATOM 636 OE1 GLN A 581 66.815 1.143 -6.268 1.00 0.00 O ATOM 637 NE2 GLN A 581 65.060 1.157 -4.974 1.00 0.00 N ATOM 0 H GLN A 581 68.169 3.366 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 581 66.143 3.709 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.589 3.083 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.798 1.527 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.852 3.549 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.227 3.565 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 581 64.531 1.605 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 581 64.708 0.303 -5.407 1.00 0.00 H new ATOM 646 N LEU A 582 65.412 1.266 -1.771 1.00 0.00 N ATOM 647 CA LEU A 582 64.947 0.084 -0.998 1.00 0.00 C ATOM 648 C LEU A 582 63.968 -0.750 -1.824 1.00 0.00 C ATOM 649 O LEU A 582 63.364 -0.276 -2.768 1.00 0.00 O ATOM 650 CB LEU A 582 64.270 0.565 0.288 1.00 0.00 C ATOM 651 CG LEU A 582 64.408 -0.500 1.371 1.00 0.00 C ATOM 652 CD1 LEU A 582 65.865 -0.585 1.830 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.516 -0.133 2.559 1.00 0.00 C ATOM 0 H LEU A 582 64.807 1.558 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 582 65.804 -0.543 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.724 1.498 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.216 0.772 0.100 1.00 0.00 H new ATOM 0 HG LEU A 582 64.103 -1.466 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 582 65.959 -1.347 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.499 -0.848 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.177 0.379 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.613 -0.893 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 582 63.821 0.834 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.478 -0.079 2.231 1.00 0.00 H new ATOM 665 N ASN A 583 63.815 -1.997 -1.464 1.00 0.00 N ATOM 666 CA ASN A 583 62.886 -2.897 -2.200 1.00 0.00 C ATOM 667 C ASN A 583 62.291 -3.906 -1.213 1.00 0.00 C ATOM 668 O ASN A 583 63.008 -4.615 -0.532 1.00 0.00 O ATOM 669 CB ASN A 583 63.659 -3.636 -3.299 1.00 0.00 C ATOM 670 CG ASN A 583 62.829 -4.814 -3.817 1.00 0.00 C ATOM 671 OD1 ASN A 583 63.267 -5.946 -3.774 1.00 0.00 O ATOM 672 ND2 ASN A 583 61.641 -4.594 -4.308 1.00 0.00 N ATOM 0 H ASN A 583 64.302 -2.433 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 583 62.085 -2.317 -2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 583 63.887 -2.953 -4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.611 -3.995 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 583 61.081 -5.372 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 583 61.272 -3.644 -4.345 1.00 0.00 H new ATOM 679 N LYS A 584 60.987 -3.969 -1.131 1.00 0.00 N ATOM 680 CA LYS A 584 60.327 -4.925 -0.190 1.00 0.00 C ATOM 681 C LYS A 584 60.904 -6.332 -0.390 1.00 0.00 C ATOM 682 O LYS A 584 60.918 -7.143 0.517 1.00 0.00 O ATOM 683 CB LYS A 584 58.815 -4.931 -0.473 1.00 0.00 C ATOM 684 CG LYS A 584 58.159 -6.206 0.080 1.00 0.00 C ATOM 685 CD LYS A 584 58.270 -6.235 1.608 1.00 0.00 C ATOM 686 CE LYS A 584 57.201 -5.325 2.224 1.00 0.00 C ATOM 687 NZ LYS A 584 55.865 -5.974 2.103 1.00 0.00 N ATOM 0 H LYS A 584 60.346 -3.395 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 584 60.507 -4.617 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.353 -4.054 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 584 58.642 -4.864 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.111 -6.243 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 584 58.642 -7.086 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.146 -7.255 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.262 -5.906 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 584 57.431 -5.134 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.195 -4.359 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 55.191 -5.305 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 55.942 -6.817 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 55.529 -6.254 3.046 1.00 0.00 H new ATOM 701 N GLY A 585 61.373 -6.623 -1.573 1.00 0.00 N ATOM 702 CA GLY A 585 61.942 -7.973 -1.853 1.00 0.00 C ATOM 703 C GLY A 585 63.115 -8.277 -0.917 1.00 0.00 C ATOM 704 O GLY A 585 63.386 -9.424 -0.617 1.00 0.00 O ATOM 0 H GLY A 585 61.387 -5.979 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 585 61.168 -8.731 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.276 -8.023 -2.889 1.00 0.00 H new ATOM 708 N THR A 586 63.825 -7.275 -0.461 1.00 0.00 N ATOM 709 CA THR A 586 64.987 -7.544 0.442 1.00 0.00 C ATOM 710 C THR A 586 65.138 -6.429 1.482 1.00 0.00 C ATOM 711 O THR A 586 66.237 -6.112 1.897 1.00 0.00 O ATOM 712 CB THR A 586 66.272 -7.628 -0.393 1.00 0.00 C ATOM 713 OG1 THR A 586 66.518 -6.370 -1.008 1.00 0.00 O ATOM 714 CG2 THR A 586 66.121 -8.704 -1.471 1.00 0.00 C ATOM 0 H THR A 586 63.653 -6.292 -0.672 1.00 0.00 H new ATOM 0 HA THR A 586 64.811 -8.487 0.960 1.00 0.00 H new ATOM 0 HB THR A 586 67.108 -7.887 0.257 1.00 0.00 H new ATOM 0 HG1 THR A 586 67.339 -6.421 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 586 67.036 -8.759 -2.061 1.00 0.00 H new ATOM 0 HG22 THR A 586 65.935 -9.669 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 586 65.284 -8.452 -2.122 1.00 0.00 H new ATOM 722 N PHE A 587 64.058 -5.837 1.919 1.00 0.00 N ATOM 723 CA PHE A 587 64.178 -4.758 2.943 1.00 0.00 C ATOM 724 C PHE A 587 63.822 -5.312 4.321 1.00 0.00 C ATOM 725 O PHE A 587 63.446 -6.458 4.474 1.00 0.00 O ATOM 726 CB PHE A 587 63.237 -3.584 2.605 1.00 0.00 C ATOM 727 CG PHE A 587 61.963 -3.670 3.425 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.581 -2.596 4.239 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.169 -4.824 3.375 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.410 -2.675 5.001 1.00 0.00 C ATOM 731 CE2 PHE A 587 59.998 -4.901 4.138 1.00 0.00 C ATOM 732 CZ PHE A 587 59.619 -3.827 4.950 1.00 0.00 C ATOM 0 H PHE A 587 63.108 -6.051 1.615 1.00 0.00 H new ATOM 0 HA PHE A 587 65.206 -4.397 2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 587 63.741 -2.638 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 587 62.994 -3.599 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.191 -1.706 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 587 61.461 -5.654 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.117 -1.846 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 587 59.387 -5.790 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 587 58.715 -3.887 5.538 1.00 0.00 H new ATOM 742 N LYS A 588 63.921 -4.478 5.310 1.00 0.00 N ATOM 743 CA LYS A 588 63.577 -4.871 6.700 1.00 0.00 C ATOM 744 C LYS A 588 62.910 -3.662 7.355 1.00 0.00 C ATOM 745 O LYS A 588 62.953 -2.572 6.821 1.00 0.00 O ATOM 746 CB LYS A 588 64.854 -5.239 7.466 1.00 0.00 C ATOM 747 CG LYS A 588 65.281 -6.672 7.129 1.00 0.00 C ATOM 748 CD LYS A 588 64.331 -7.670 7.803 1.00 0.00 C ATOM 749 CE LYS A 588 63.536 -8.427 6.737 1.00 0.00 C ATOM 750 NZ LYS A 588 62.797 -9.553 7.375 1.00 0.00 N ATOM 0 H LYS A 588 64.235 -3.513 5.211 1.00 0.00 H new ATOM 0 HA LYS A 588 62.912 -5.735 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.653 -4.544 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.683 -5.146 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.271 -6.819 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.303 -6.845 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 588 64.899 -8.372 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 588 63.651 -7.144 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 588 62.837 -7.753 6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 588 64.209 -8.808 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 62.256 -10.068 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 63.474 -10.200 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 62.144 -9.178 8.092 1.00 0.00 H new ATOM 764 N GLU A 589 62.290 -3.824 8.489 1.00 0.00 N ATOM 765 CA GLU A 589 61.632 -2.652 9.129 1.00 0.00 C ATOM 766 C GLU A 589 61.878 -2.659 10.637 1.00 0.00 C ATOM 767 O GLU A 589 62.018 -3.695 11.259 1.00 0.00 O ATOM 768 CB GLU A 589 60.124 -2.679 8.844 1.00 0.00 C ATOM 769 CG GLU A 589 59.396 -3.492 9.918 1.00 0.00 C ATOM 770 CD GLU A 589 58.018 -3.909 9.398 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.038 -3.343 9.853 1.00 0.00 O ATOM 772 OE2 GLU A 589 57.966 -4.787 8.551 1.00 0.00 O ATOM 0 H GLU A 589 62.210 -4.706 8.996 1.00 0.00 H new ATOM 0 HA GLU A 589 62.059 -1.741 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.733 -1.662 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 589 59.940 -3.114 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 589 59.980 -4.375 10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.289 -2.900 10.827 1.00 0.00 H new ATOM 779 N GLN A 590 61.921 -1.496 11.216 1.00 0.00 N ATOM 780 CA GLN A 590 62.142 -1.371 12.678 1.00 0.00 C ATOM 781 C GLN A 590 61.497 -0.068 13.140 1.00 0.00 C ATOM 782 O GLN A 590 61.416 0.881 12.391 1.00 0.00 O ATOM 783 CB GLN A 590 63.646 -1.328 12.965 1.00 0.00 C ATOM 784 CG GLN A 590 63.894 -1.505 14.466 1.00 0.00 C ATOM 785 CD GLN A 590 63.664 -2.965 14.860 1.00 0.00 C ATOM 786 OE1 GLN A 590 63.115 -3.246 15.906 1.00 0.00 O ATOM 787 NE2 GLN A 590 64.064 -3.912 14.060 1.00 0.00 N ATOM 0 H GLN A 590 61.810 -0.608 10.726 1.00 0.00 H new ATOM 0 HA GLN A 590 61.706 -2.220 13.205 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.154 -2.115 12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.063 -0.379 12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.913 -1.208 14.713 1.00 0.00 H new ATOM 0 HG3 GLN A 590 63.227 -0.856 15.033 1.00 0.00 H new ATOM 0 HE21 GLN A 590 64.525 -3.676 13.181 1.00 0.00 H new ATOM 0 HE22 GLN A 590 63.916 -4.889 14.312 1.00 0.00 H new ATOM 796 N ASN A 591 61.035 -0.009 14.356 1.00 0.00 N ATOM 797 CA ASN A 591 60.397 1.246 14.855 1.00 0.00 C ATOM 798 C ASN A 591 59.273 1.690 13.903 1.00 0.00 C ATOM 799 O ASN A 591 58.858 2.833 13.922 1.00 0.00 O ATOM 800 CB ASN A 591 61.456 2.350 14.946 1.00 0.00 C ATOM 801 CG ASN A 591 62.357 2.097 16.156 1.00 0.00 C ATOM 802 OD1 ASN A 591 61.904 2.117 17.283 1.00 0.00 O ATOM 803 ND2 ASN A 591 63.625 1.860 15.967 1.00 0.00 N ATOM 0 H ASN A 591 61.070 -0.775 15.029 1.00 0.00 H new ATOM 0 HA ASN A 591 59.970 1.060 15.840 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.052 2.372 14.034 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.974 3.324 15.036 1.00 0.00 H new ATOM 0 HD21 ASN A 591 64.237 1.691 16.765 1.00 0.00 H new ATOM 0 HD22 ASN A 591 64.005 1.843 15.021 1.00 0.00 H new ATOM 810 N ASP A 592 58.777 0.793 13.081 1.00 0.00 N ATOM 811 CA ASP A 592 57.670 1.145 12.130 1.00 0.00 C ATOM 812 C ASP A 592 58.218 1.905 10.914 1.00 0.00 C ATOM 813 O ASP A 592 57.546 2.745 10.346 1.00 0.00 O ATOM 814 CB ASP A 592 56.626 2.015 12.840 1.00 0.00 C ATOM 815 CG ASP A 592 55.244 1.757 12.234 1.00 0.00 C ATOM 816 OD1 ASP A 592 54.598 0.815 12.661 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.855 2.506 11.352 1.00 0.00 O ATOM 0 H ASP A 592 59.094 -0.175 13.028 1.00 0.00 H new ATOM 0 HA ASP A 592 57.207 0.219 11.789 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.614 1.789 13.906 1.00 0.00 H new ATOM 0 HB3 ASP A 592 56.887 3.069 12.740 1.00 0.00 H new ATOM 822 N LYS A 593 59.422 1.613 10.499 1.00 0.00 N ATOM 823 CA LYS A 593 59.992 2.314 9.309 1.00 0.00 C ATOM 824 C LYS A 593 60.870 1.330 8.527 1.00 0.00 C ATOM 825 O LYS A 593 61.385 0.380 9.083 1.00 0.00 O ATOM 826 CB LYS A 593 60.820 3.537 9.742 1.00 0.00 C ATOM 827 CG LYS A 593 61.042 3.538 11.260 1.00 0.00 C ATOM 828 CD LYS A 593 61.520 4.923 11.709 1.00 0.00 C ATOM 829 CE LYS A 593 60.333 5.733 12.237 1.00 0.00 C ATOM 830 NZ LYS A 593 59.963 5.243 13.596 1.00 0.00 N ATOM 0 H LYS A 593 60.035 0.921 10.931 1.00 0.00 H new ATOM 0 HA LYS A 593 59.178 2.667 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.782 3.530 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.308 4.452 9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.116 3.278 11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.780 2.782 11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.278 4.822 12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 593 61.987 5.446 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.590 6.791 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 593 59.484 5.637 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 59.096 5.721 13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 59.800 4.216 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 60.735 5.449 14.261 1.00 0.00 H new ATOM 844 N PRO A 594 61.024 1.543 7.239 1.00 0.00 N ATOM 845 CA PRO A 594 61.837 0.632 6.379 1.00 0.00 C ATOM 846 C PRO A 594 63.333 0.709 6.660 1.00 0.00 C ATOM 847 O PRO A 594 63.845 1.703 7.137 1.00 0.00 O ATOM 848 CB PRO A 594 61.542 1.165 4.984 1.00 0.00 C ATOM 849 CG PRO A 594 61.029 2.594 5.144 1.00 0.00 C ATOM 850 CD PRO A 594 60.408 2.705 6.540 1.00 0.00 C ATOM 0 HA PRO A 594 61.585 -0.416 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.441 1.146 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.799 0.544 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.843 3.309 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.291 2.825 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.654 3.651 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.321 2.635 6.511 1.00 0.00 H new ATOM 858 N TYR A 595 64.024 -0.343 6.340 1.00 0.00 N ATOM 859 CA TYR A 595 65.495 -0.400 6.548 1.00 0.00 C ATOM 860 C TYR A 595 66.045 -1.520 5.669 1.00 0.00 C ATOM 861 O TYR A 595 65.611 -2.649 5.770 1.00 0.00 O ATOM 862 CB TYR A 595 65.800 -0.728 8.015 1.00 0.00 C ATOM 863 CG TYR A 595 65.455 0.448 8.896 1.00 0.00 C ATOM 864 CD1 TYR A 595 64.390 0.358 9.798 1.00 0.00 C ATOM 865 CD2 TYR A 595 66.200 1.629 8.811 1.00 0.00 C ATOM 866 CE1 TYR A 595 64.069 1.448 10.613 1.00 0.00 C ATOM 867 CE2 TYR A 595 65.879 2.720 9.627 1.00 0.00 C ATOM 868 CZ TYR A 595 64.813 2.629 10.528 1.00 0.00 C ATOM 869 OH TYR A 595 64.495 3.704 11.332 1.00 0.00 O ATOM 0 H TYR A 595 63.622 -1.187 5.933 1.00 0.00 H new ATOM 0 HA TYR A 595 65.948 0.558 6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.230 -1.604 8.325 1.00 0.00 H new ATOM 0 HB3 TYR A 595 66.855 -0.978 8.127 1.00 0.00 H new ATOM 0 HD1 TYR A 595 63.815 -0.554 9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 595 67.023 1.699 8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 595 63.246 1.378 11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 595 66.454 3.632 9.561 1.00 0.00 H new ATOM 0 HH TYR A 595 65.111 4.444 11.148 1.00 0.00 H new ATOM 879 N CYS A 596 66.989 -1.237 4.810 1.00 0.00 N ATOM 880 CA CYS A 596 67.537 -2.323 3.948 1.00 0.00 C ATOM 881 C CYS A 596 67.956 -3.482 4.845 1.00 0.00 C ATOM 882 O CYS A 596 68.431 -3.281 5.944 1.00 0.00 O ATOM 883 CB CYS A 596 68.757 -1.828 3.162 1.00 0.00 C ATOM 884 SG CYS A 596 68.644 -0.042 2.900 1.00 0.00 S ATOM 0 H CYS A 596 67.399 -0.314 4.669 1.00 0.00 H new ATOM 0 HA CYS A 596 66.773 -2.639 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.671 -2.067 3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 596 68.814 -2.341 2.202 1.00 0.00 H new ATOM 0 HG CYS A 596 69.684 0.366 2.235 1.00 0.00 H new ATOM 889 N GLN A 597 67.787 -4.688 4.389 1.00 0.00 N ATOM 890 CA GLN A 597 68.187 -5.857 5.219 1.00 0.00 C ATOM 891 C GLN A 597 69.614 -5.621 5.713 1.00 0.00 C ATOM 892 O GLN A 597 69.952 -5.923 6.839 1.00 0.00 O ATOM 893 CB GLN A 597 68.097 -7.120 4.354 1.00 0.00 C ATOM 894 CG GLN A 597 69.299 -8.048 4.593 1.00 0.00 C ATOM 895 CD GLN A 597 69.318 -8.537 6.047 1.00 0.00 C ATOM 896 OE1 GLN A 597 70.305 -9.080 6.501 1.00 0.00 O ATOM 897 NE2 GLN A 597 68.265 -8.369 6.801 1.00 0.00 N ATOM 0 H GLN A 597 67.389 -4.917 3.478 1.00 0.00 H new ATOM 0 HA GLN A 597 67.532 -5.982 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 597 67.173 -7.653 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.055 -6.840 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 597 69.248 -8.901 3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.225 -7.519 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 597 67.434 -7.913 6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 597 68.273 -8.693 7.768 1.00 0.00 H new ATOM 906 N ASN A 598 70.440 -5.044 4.880 1.00 0.00 N ATOM 907 CA ASN A 598 71.837 -4.743 5.293 1.00 0.00 C ATOM 908 C ASN A 598 71.790 -3.684 6.394 1.00 0.00 C ATOM 909 O ASN A 598 72.525 -3.743 7.358 1.00 0.00 O ATOM 910 CB ASN A 598 72.623 -4.211 4.092 1.00 0.00 C ATOM 911 CG ASN A 598 74.037 -3.822 4.533 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.338 -2.656 4.692 1.00 0.00 O ATOM 913 ND2 ASN A 598 74.922 -4.757 4.740 1.00 0.00 N ATOM 0 H ASN A 598 70.203 -4.768 3.927 1.00 0.00 H new ATOM 0 HA ASN A 598 72.328 -5.644 5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 598 72.671 -4.970 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.114 -3.347 3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 598 75.866 -4.509 5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 598 74.670 -5.736 4.607 1.00 0.00 H new ATOM 920 N CYS A 599 70.901 -2.730 6.265 1.00 0.00 N ATOM 921 CA CYS A 599 70.768 -1.678 7.311 1.00 0.00 C ATOM 922 C CYS A 599 70.221 -2.343 8.572 1.00 0.00 C ATOM 923 O CYS A 599 70.861 -2.349 9.596 1.00 0.00 O ATOM 924 CB CYS A 599 69.798 -0.587 6.843 1.00 0.00 C ATOM 925 SG CYS A 599 70.699 0.673 5.906 1.00 0.00 S ATOM 0 H CYS A 599 70.261 -2.637 5.476 1.00 0.00 H new ATOM 0 HA CYS A 599 71.736 -1.216 7.506 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.016 -1.025 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.306 -0.132 7.703 1.00 0.00 H new ATOM 0 HG CYS A 599 70.291 0.671 4.672 1.00 0.00 H new ATOM 930 N PHE A 600 69.054 -2.934 8.487 1.00 0.00 N ATOM 931 CA PHE A 600 68.470 -3.638 9.671 1.00 0.00 C ATOM 932 C PHE A 600 69.548 -4.545 10.260 1.00 0.00 C ATOM 933 O PHE A 600 69.774 -4.577 11.453 1.00 0.00 O ATOM 934 CB PHE A 600 67.277 -4.476 9.197 1.00 0.00 C ATOM 935 CG PHE A 600 66.863 -5.472 10.258 1.00 0.00 C ATOM 936 CD1 PHE A 600 65.823 -5.163 11.143 1.00 0.00 C ATOM 937 CD2 PHE A 600 67.512 -6.711 10.346 1.00 0.00 C ATOM 938 CE1 PHE A 600 65.433 -6.092 12.115 1.00 0.00 C ATOM 939 CE2 PHE A 600 67.124 -7.637 11.320 1.00 0.00 C ATOM 940 CZ PHE A 600 66.084 -7.328 12.204 1.00 0.00 C ATOM 0 H PHE A 600 68.479 -2.959 7.645 1.00 0.00 H new ATOM 0 HA PHE A 600 68.133 -2.929 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.438 -3.821 8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.539 -5.003 8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 600 65.322 -4.209 11.076 1.00 0.00 H new ATOM 0 HD2 PHE A 600 68.312 -6.951 9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 600 64.629 -5.855 12.797 1.00 0.00 H new ATOM 0 HE2 PHE A 600 67.627 -8.590 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 600 65.784 -8.043 12.955 1.00 0.00 H new ATOM 950 N LEU A 601 70.232 -5.255 9.410 1.00 0.00 N ATOM 951 CA LEU A 601 71.332 -6.145 9.865 1.00 0.00 C ATOM 952 C LEU A 601 72.384 -5.280 10.571 1.00 0.00 C ATOM 953 O LEU A 601 73.115 -5.732 11.428 1.00 0.00 O ATOM 954 CB LEU A 601 71.933 -6.814 8.627 1.00 0.00 C ATOM 955 CG LEU A 601 73.151 -7.657 9.002 1.00 0.00 C ATOM 956 CD1 LEU A 601 72.689 -8.967 9.644 1.00 0.00 C ATOM 957 CD2 LEU A 601 73.947 -7.959 7.731 1.00 0.00 C ATOM 0 H LEU A 601 70.072 -5.256 8.403 1.00 0.00 H new ATOM 0 HA LEU A 601 70.975 -6.910 10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.183 -7.444 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.221 -6.054 7.901 1.00 0.00 H new ATOM 0 HG LEU A 601 73.776 -7.115 9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 601 73.558 -9.568 9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.110 -8.748 10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.069 -9.520 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 601 74.820 -8.561 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 601 73.318 -8.508 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.270 -7.024 7.273 1.00 0.00 H new ATOM 969 N LYS A 602 72.443 -4.029 10.204 1.00 0.00 N ATOM 970 CA LYS A 602 73.413 -3.079 10.820 1.00 0.00 C ATOM 971 C LYS A 602 72.787 -2.424 12.057 1.00 0.00 C ATOM 972 O LYS A 602 73.454 -2.174 13.041 1.00 0.00 O ATOM 973 CB LYS A 602 73.744 -1.989 9.796 1.00 0.00 C ATOM 974 CG LYS A 602 75.240 -1.683 9.821 1.00 0.00 C ATOM 975 CD LYS A 602 76.014 -2.799 9.109 1.00 0.00 C ATOM 976 CE LYS A 602 75.843 -2.663 7.593 1.00 0.00 C ATOM 977 NZ LYS A 602 76.982 -3.333 6.903 1.00 0.00 N ATOM 0 H LYS A 602 71.846 -3.617 9.487 1.00 0.00 H new ATOM 0 HA LYS A 602 74.315 -3.616 11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.448 -2.314 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.176 -1.086 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.433 -0.727 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.584 -1.590 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.071 -2.746 9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.652 -3.773 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 602 74.900 -3.112 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 602 75.803 -1.610 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 76.970 -3.085 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 77.878 -3.018 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 76.893 -4.364 7.008 1.00 0.00 H new ATOM 991 N LEU A 603 71.515 -2.125 12.003 1.00 0.00 N ATOM 992 CA LEU A 603 70.843 -1.468 13.162 1.00 0.00 C ATOM 993 C LEU A 603 70.398 -2.529 14.170 1.00 0.00 C ATOM 994 O LEU A 603 70.756 -2.487 15.331 1.00 0.00 O ATOM 995 CB LEU A 603 69.606 -0.692 12.683 1.00 0.00 C ATOM 996 CG LEU A 603 69.857 -0.052 11.312 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.672 0.845 10.946 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.137 0.790 11.344 1.00 0.00 C ATOM 0 H LEU A 603 70.911 -2.309 11.202 1.00 0.00 H new ATOM 0 HA LEU A 603 71.548 -0.781 13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.751 -1.365 12.623 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.353 0.081 13.409 1.00 0.00 H new ATOM 0 HG LEU A 603 69.970 -0.842 10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.848 1.301 9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.761 0.247 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.561 1.626 11.698 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.302 1.238 10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.036 1.578 12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.985 0.154 11.600 1.00 0.00 H new ATOM 1010 N PHE A 604 69.609 -3.470 13.731 1.00 0.00 N ATOM 1011 CA PHE A 604 69.116 -4.536 14.650 1.00 0.00 C ATOM 1012 C PHE A 604 70.256 -5.491 15.006 1.00 0.00 C ATOM 1013 O PHE A 604 70.193 -6.202 15.990 1.00 0.00 O ATOM 1014 CB PHE A 604 67.996 -5.317 13.960 1.00 0.00 C ATOM 1015 CG PHE A 604 67.128 -5.984 15.002 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.203 -5.226 15.731 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.248 -7.359 15.240 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.398 -5.843 16.695 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.443 -7.975 16.205 1.00 0.00 C ATOM 1020 CZ PHE A 604 65.518 -7.217 16.933 1.00 0.00 C ATOM 0 H PHE A 604 69.282 -3.547 12.768 1.00 0.00 H new ATOM 0 HA PHE A 604 68.739 -4.076 15.564 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.395 -4.646 13.347 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.420 -6.066 13.291 1.00 0.00 H new ATOM 0 HD1 PHE A 604 66.111 -4.165 15.549 1.00 0.00 H new ATOM 0 HD2 PHE A 604 67.962 -7.944 14.679 1.00 0.00 H new ATOM 0 HE1 PHE A 604 64.684 -5.259 17.256 1.00 0.00 H new ATOM 0 HE2 PHE A 604 66.535 -9.035 16.388 1.00 0.00 H new ATOM 0 HZ PHE A 604 64.897 -7.692 17.678 1.00 0.00 H new ATOM 1030 N CYS A 605 71.295 -5.519 14.213 1.00 0.00 N ATOM 1031 CA CYS A 605 72.435 -6.438 14.510 1.00 0.00 C ATOM 1032 C CYS A 605 73.760 -5.759 14.136 1.00 0.00 C ATOM 1033 O CYS A 605 74.704 -6.467 13.821 1.00 0.00 O ATOM 1034 CB CYS A 605 72.262 -7.734 13.708 1.00 0.00 C ATOM 1035 SG CYS A 605 73.145 -9.079 14.537 1.00 0.00 S ATOM 1036 OXT CYS A 605 73.810 -4.542 14.179 1.00 0.00 O ATOM 0 H CYS A 605 71.404 -4.948 13.375 1.00 0.00 H new ATOM 0 HA CYS A 605 72.449 -6.672 15.574 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.204 -7.980 13.618 1.00 0.00 H new ATOM 0 HB3 CYS A 605 72.646 -7.602 12.696 1.00 0.00 H new ATOM 0 HG CYS A 605 72.997 -10.178 13.859 1.00 0.00 H new