USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 SER OG : rot 180:sc= 0 USER MOD Single : A 559 SER OG : rot 180:sc= 0 USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ -138:sc= 0.54 (180deg=-0.43) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.67) USER MOD Single : A 572 GLN : amide:sc= -0.691 K(o=-0.69,f=0) USER MOD Single : A 575 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 GLN : amide:sc= 0.867 K(o=0.87,f=-0.28) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -1.96! K(o=-2!,f=0) USER MOD Single : A 595 SER OG : rot -34:sc= 0.229 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -0.0188 K(o=-0.019,f=-2.3!) USER MOD Single : A 601 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 603 GLN : amide:sc= -2.67! X(o=-2.7!,f=-2.7) USER MOD Single : A 604 THR OG1 : rot -73:sc=-0.00756 USER MOD Single : A 605 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.58) USER MOD Single : A 606 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0907) USER MOD Single : A 611 MET CE :methyl 164:sc= -0.604 (180deg=-1.13) USER MOD Single : A 616 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 620 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.18) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -167:sc= 0.494 (180deg=0.4) USER MOD Single : A 633 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 551 -38.017 -0.672 -19.744 1.00 0.00 N ATOM 2 CA LYS A 551 -39.415 -0.633 -20.227 1.00 0.00 C ATOM 3 C LYS A 551 -40.096 0.647 -19.752 1.00 0.00 C ATOM 4 O LYS A 551 -40.382 1.543 -20.548 1.00 0.00 O ATOM 5 CB LYS A 551 -40.181 -1.857 -19.710 1.00 0.00 C ATOM 6 CG LYS A 551 -41.613 -1.966 -20.215 1.00 0.00 C ATOM 7 CD LYS A 551 -41.663 -2.238 -21.710 1.00 0.00 C ATOM 8 CE LYS A 551 -43.090 -2.456 -22.187 1.00 0.00 C ATOM 9 NZ LYS A 551 -43.144 -2.793 -23.630 1.00 0.00 N ATOM 0 HA LYS A 551 -39.414 -0.649 -21.317 1.00 0.00 H new ATOM 0 HB2 LYS A 551 -39.638 -2.757 -19.998 1.00 0.00 H new ATOM 0 HB3 LYS A 551 -40.195 -1.828 -18.620 1.00 0.00 H new ATOM 0 HG2 LYS A 551 -42.127 -2.766 -19.682 1.00 0.00 H new ATOM 0 HG3 LYS A 551 -42.148 -1.042 -19.995 1.00 0.00 H new ATOM 0 HD2 LYS A 551 -41.222 -1.399 -22.249 1.00 0.00 H new ATOM 0 HD3 LYS A 551 -41.062 -3.117 -21.942 1.00 0.00 H new ATOM 0 HE2 LYS A 551 -43.548 -3.259 -21.609 1.00 0.00 H new ATOM 0 HE3 LYS A 551 -43.676 -1.556 -22.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 -44.134 -2.934 -23.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 -42.730 -2.016 -24.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 -42.606 -3.666 -23.803 1.00 0.00 H new ATOM 23 N ALA A 552 -40.339 0.726 -18.451 1.00 0.00 N ATOM 24 CA ALA A 552 -40.971 1.892 -17.849 1.00 0.00 C ATOM 25 C ALA A 552 -40.730 1.887 -16.348 1.00 0.00 C ATOM 26 O ALA A 552 -40.296 2.881 -15.768 1.00 0.00 O ATOM 27 CB ALA A 552 -42.465 1.907 -18.149 1.00 0.00 C ATOM 0 H ALA A 552 -40.105 -0.012 -17.786 1.00 0.00 H new ATOM 0 HA ALA A 552 -40.531 2.793 -18.277 1.00 0.00 H new ATOM 0 HB1 ALA A 552 -42.919 2.786 -17.691 1.00 0.00 H new ATOM 0 HB2 ALA A 552 -42.619 1.939 -19.228 1.00 0.00 H new ATOM 0 HB3 ALA A 552 -42.927 1.007 -17.743 1.00 0.00 H new ATOM 33 N GLU A 553 -41.005 0.755 -15.730 1.00 0.00 N ATOM 34 CA GLU A 553 -40.759 0.578 -14.315 1.00 0.00 C ATOM 35 C GLU A 553 -39.813 -0.597 -14.118 1.00 0.00 C ATOM 36 O GLU A 553 -40.149 -1.736 -14.453 1.00 0.00 O ATOM 37 CB GLU A 553 -42.075 0.333 -13.579 1.00 0.00 C ATOM 38 CG GLU A 553 -41.943 0.367 -12.068 1.00 0.00 C ATOM 39 CD GLU A 553 -43.249 0.067 -11.372 1.00 0.00 C ATOM 40 OE1 GLU A 553 -44.191 0.874 -11.497 1.00 0.00 O ATOM 41 OE2 GLU A 553 -43.345 -0.987 -10.711 1.00 0.00 O ATOM 0 H GLU A 553 -41.403 -0.062 -16.192 1.00 0.00 H new ATOM 0 HA GLU A 553 -40.303 1.480 -13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 553 -42.800 1.086 -13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 553 -42.474 -0.636 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 553 -41.192 -0.358 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 553 -41.586 1.349 -11.759 1.00 0.00 H new ATOM 48 N THR A 554 -38.628 -0.317 -13.602 1.00 0.00 N ATOM 49 CA THR A 554 -37.607 -1.337 -13.437 1.00 0.00 C ATOM 50 C THR A 554 -37.941 -2.285 -12.291 1.00 0.00 C ATOM 51 O THR A 554 -38.920 -2.076 -11.571 1.00 0.00 O ATOM 52 CB THR A 554 -36.234 -0.693 -13.197 1.00 0.00 C ATOM 53 OG1 THR A 554 -36.365 0.388 -12.266 1.00 0.00 O ATOM 54 CG2 THR A 554 -35.644 -0.178 -14.501 1.00 0.00 C ATOM 0 H THR A 554 -38.349 0.613 -13.289 1.00 0.00 H new ATOM 0 HA THR A 554 -37.575 -1.917 -14.359 1.00 0.00 H new ATOM 0 HB THR A 554 -35.563 -1.449 -12.789 1.00 0.00 H new ATOM 0 HG1 THR A 554 -35.487 0.796 -12.113 1.00 0.00 H new ATOM 0 HG21 THR A 554 -34.671 0.274 -14.307 1.00 0.00 H new ATOM 0 HG22 THR A 554 -35.526 -1.007 -15.199 1.00 0.00 H new ATOM 0 HG23 THR A 554 -36.311 0.568 -14.933 1.00 0.00 H new ATOM 62 N VAL A 555 -37.139 -3.333 -12.136 1.00 0.00 N ATOM 63 CA VAL A 555 -37.361 -4.317 -11.085 1.00 0.00 C ATOM 64 C VAL A 555 -37.280 -3.665 -9.706 1.00 0.00 C ATOM 65 O VAL A 555 -38.298 -3.522 -9.025 1.00 0.00 O ATOM 66 CB VAL A 555 -36.348 -5.482 -11.176 1.00 0.00 C ATOM 67 CG1 VAL A 555 -36.581 -6.502 -10.070 1.00 0.00 C ATOM 68 CG2 VAL A 555 -36.431 -6.151 -12.539 1.00 0.00 C ATOM 0 H VAL A 555 -36.329 -3.522 -12.726 1.00 0.00 H new ATOM 0 HA VAL A 555 -38.362 -4.723 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 555 -35.348 -5.069 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 555 -35.854 -7.309 -10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 555 -36.468 -6.019 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 555 -37.588 -6.910 -10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 555 -35.712 -6.969 -12.587 1.00 0.00 H new ATOM 0 HG22 VAL A 555 -37.437 -6.543 -12.691 1.00 0.00 H new ATOM 0 HG23 VAL A 555 -36.204 -5.422 -13.317 1.00 0.00 H new ATOM 78 N LYS A 556 -36.070 -3.251 -9.319 1.00 0.00 N ATOM 79 CA LYS A 556 -35.830 -2.615 -8.024 1.00 0.00 C ATOM 80 C LYS A 556 -36.560 -3.359 -6.895 1.00 0.00 C ATOM 81 O LYS A 556 -37.466 -2.828 -6.248 1.00 0.00 O ATOM 82 CB LYS A 556 -36.227 -1.129 -8.086 1.00 0.00 C ATOM 83 CG LYS A 556 -36.036 -0.358 -6.779 1.00 0.00 C ATOM 84 CD LYS A 556 -34.660 -0.587 -6.157 1.00 0.00 C ATOM 85 CE LYS A 556 -33.534 -0.097 -7.049 1.00 0.00 C ATOM 86 NZ LYS A 556 -32.204 -0.349 -6.433 1.00 0.00 N ATOM 0 H LYS A 556 -35.233 -3.348 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 556 -34.765 -2.670 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 556 -35.641 -0.643 -8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 556 -37.274 -1.059 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 556 -36.173 0.707 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 556 -36.806 -0.658 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 556 -34.608 -0.074 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 556 -34.526 -1.650 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 556 -33.590 -0.598 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 556 -33.654 0.970 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 -31.456 -0.003 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 -32.143 0.149 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 -32.081 -1.370 -6.278 1.00 0.00 H new ATOM 100 N ARG A 557 -36.173 -4.608 -6.689 1.00 0.00 N ATOM 101 CA ARG A 557 -36.738 -5.412 -5.620 1.00 0.00 C ATOM 102 C ARG A 557 -35.679 -5.687 -4.562 1.00 0.00 C ATOM 103 O ARG A 557 -34.743 -6.451 -4.802 1.00 0.00 O ATOM 104 CB ARG A 557 -37.293 -6.739 -6.158 1.00 0.00 C ATOM 105 CG ARG A 557 -38.460 -6.590 -7.126 1.00 0.00 C ATOM 106 CD ARG A 557 -39.601 -5.792 -6.518 1.00 0.00 C ATOM 107 NE ARG A 557 -40.823 -5.869 -7.321 1.00 0.00 N ATOM 108 CZ ARG A 557 -41.462 -4.805 -7.813 1.00 0.00 C ATOM 109 NH1 ARG A 557 -40.923 -3.597 -7.704 1.00 0.00 N ATOM 110 NH2 ARG A 557 -42.621 -4.952 -8.442 1.00 0.00 N ATOM 0 H ARG A 557 -35.468 -5.087 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 557 -37.561 -4.853 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -36.489 -7.278 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -37.612 -7.353 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -38.117 -6.097 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -38.821 -7.577 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -39.805 -6.162 -5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -39.299 -4.749 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 557 -41.210 -6.792 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -40.020 -3.481 -7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -41.412 -2.785 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -43.028 -5.881 -8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -43.105 -4.136 -8.816 1.00 0.00 H new ATOM 124 N SER A 558 -35.822 -5.022 -3.415 1.00 0.00 N ATOM 125 CA SER A 558 -34.947 -5.229 -2.262 1.00 0.00 C ATOM 126 C SER A 558 -33.553 -4.634 -2.495 1.00 0.00 C ATOM 127 O SER A 558 -33.085 -4.504 -3.630 1.00 0.00 O ATOM 128 CB SER A 558 -34.847 -6.728 -1.933 1.00 0.00 C ATOM 129 OG SER A 558 -34.262 -6.955 -0.657 1.00 0.00 O ATOM 0 H SER A 558 -36.549 -4.324 -3.260 1.00 0.00 H new ATOM 0 HA SER A 558 -35.387 -4.708 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 558 -35.842 -7.172 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 558 -34.254 -7.228 -2.698 1.00 0.00 H new ATOM 0 HG SER A 558 -34.218 -7.919 -0.484 1.00 0.00 H new ATOM 135 N SER A 559 -32.912 -4.245 -1.405 1.00 0.00 N ATOM 136 CA SER A 559 -31.549 -3.744 -1.441 1.00 0.00 C ATOM 137 C SER A 559 -30.577 -4.922 -1.426 1.00 0.00 C ATOM 138 O SER A 559 -30.671 -5.803 -0.568 1.00 0.00 O ATOM 139 CB SER A 559 -31.319 -2.835 -0.233 1.00 0.00 C ATOM 140 OG SER A 559 -32.344 -1.856 -0.138 1.00 0.00 O ATOM 0 H SER A 559 -33.322 -4.268 -0.471 1.00 0.00 H new ATOM 0 HA SER A 559 -31.382 -3.168 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 559 -31.295 -3.432 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 559 -30.349 -2.346 -0.319 1.00 0.00 H new ATOM 0 HG SER A 559 -32.180 -1.285 0.642 1.00 0.00 H new ATOM 146 N SER A 560 -29.649 -4.938 -2.380 1.00 0.00 N ATOM 147 CA SER A 560 -28.762 -6.078 -2.556 1.00 0.00 C ATOM 148 C SER A 560 -27.515 -5.957 -1.681 1.00 0.00 C ATOM 149 O SER A 560 -27.528 -6.384 -0.528 1.00 0.00 O ATOM 150 CB SER A 560 -28.381 -6.232 -4.029 1.00 0.00 C ATOM 151 OG SER A 560 -29.541 -6.253 -4.846 1.00 0.00 O ATOM 0 H SER A 560 -29.494 -4.175 -3.040 1.00 0.00 H new ATOM 0 HA SER A 560 -29.297 -6.973 -2.239 1.00 0.00 H new ATOM 0 HB2 SER A 560 -27.732 -5.409 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 560 -27.814 -7.152 -4.169 1.00 0.00 H new ATOM 0 HG SER A 560 -29.278 -6.350 -5.785 1.00 0.00 H new ATOM 157 N LYS A 561 -26.451 -5.367 -2.220 1.00 0.00 N ATOM 158 CA LYS A 561 -25.202 -5.187 -1.478 1.00 0.00 C ATOM 159 C LYS A 561 -24.511 -3.908 -1.910 1.00 0.00 C ATOM 160 O LYS A 561 -24.178 -3.755 -3.088 1.00 0.00 O ATOM 161 CB LYS A 561 -24.231 -6.355 -1.714 1.00 0.00 C ATOM 162 CG LYS A 561 -24.708 -7.700 -1.202 1.00 0.00 C ATOM 163 CD LYS A 561 -24.826 -7.724 0.314 1.00 0.00 C ATOM 164 CE LYS A 561 -25.454 -9.019 0.804 1.00 0.00 C ATOM 165 NZ LYS A 561 -26.837 -9.194 0.282 1.00 0.00 N ATOM 0 H LYS A 561 -26.427 -5.003 -3.173 1.00 0.00 H new ATOM 0 HA LYS A 561 -25.464 -5.143 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -24.040 -6.438 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -23.280 -6.119 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -25.676 -7.934 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -24.015 -8.477 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -23.838 -7.607 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -25.428 -6.878 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -24.838 -9.863 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -25.473 -9.024 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -27.451 -9.555 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -27.201 -8.279 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -26.827 -9.871 -0.507 1.00 0.00 H new ATOM 179 N LEU A 562 -24.308 -2.994 -0.964 1.00 0.00 N ATOM 180 CA LEU A 562 -23.491 -1.803 -1.199 1.00 0.00 C ATOM 181 C LEU A 562 -24.052 -0.954 -2.343 1.00 0.00 C ATOM 182 O LEU A 562 -25.211 -1.095 -2.749 1.00 0.00 O ATOM 183 CB LEU A 562 -22.057 -2.223 -1.558 1.00 0.00 C ATOM 184 CG LEU A 562 -21.364 -3.164 -0.583 1.00 0.00 C ATOM 185 CD1 LEU A 562 -20.426 -4.096 -1.341 1.00 0.00 C ATOM 186 CD2 LEU A 562 -20.598 -2.363 0.453 1.00 0.00 C ATOM 0 H LEU A 562 -24.699 -3.055 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 562 -23.500 -1.209 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -22.076 -2.700 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -21.451 -1.322 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 562 -22.114 -3.767 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -19.933 -4.767 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -20.998 -4.681 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -19.675 -3.507 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -20.105 -3.043 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -19.849 -1.746 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -21.289 -1.723 1.002 1.00 0.00 H new ATOM 198 N SER A 563 -23.216 -0.055 -2.839 1.00 0.00 N ATOM 199 CA SER A 563 -23.501 0.686 -4.047 1.00 0.00 C ATOM 200 C SER A 563 -22.475 0.293 -5.105 1.00 0.00 C ATOM 201 O SER A 563 -21.401 -0.189 -4.741 1.00 0.00 O ATOM 202 CB SER A 563 -23.434 2.188 -3.765 1.00 0.00 C ATOM 203 OG SER A 563 -23.886 2.942 -4.875 1.00 0.00 O ATOM 0 H SER A 563 -22.320 0.178 -2.411 1.00 0.00 H new ATOM 0 HA SER A 563 -24.504 0.454 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 563 -24.042 2.423 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.409 2.469 -3.525 1.00 0.00 H new ATOM 0 HG SER A 563 -23.833 3.898 -4.665 1.00 0.00 H new ATOM 209 N TYR A 564 -22.771 0.479 -6.388 1.00 0.00 N ATOM 210 CA TYR A 564 -21.844 0.042 -7.437 1.00 0.00 C ATOM 211 C TYR A 564 -20.459 0.652 -7.246 1.00 0.00 C ATOM 212 O TYR A 564 -19.448 -0.018 -7.469 1.00 0.00 O ATOM 213 CB TYR A 564 -22.356 0.376 -8.833 1.00 0.00 C ATOM 214 CG TYR A 564 -21.459 -0.178 -9.916 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.634 -1.469 -10.390 1.00 0.00 C ATOM 216 CD2 TYR A 564 -20.413 0.576 -10.434 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.800 -1.992 -11.358 1.00 0.00 C ATOM 218 CE2 TYR A 564 -19.573 0.061 -11.399 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.770 -1.224 -11.858 1.00 0.00 C ATOM 220 OH TYR A 564 -18.935 -1.742 -12.822 1.00 0.00 O ATOM 0 H TYR A 564 -23.626 0.920 -6.726 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.773 -1.042 -7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.362 -0.026 -8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.430 1.458 -8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.436 -2.076 -9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.255 1.582 -10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -20.954 -2.997 -11.722 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.766 0.661 -11.793 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.263 -1.072 -13.067 1.00 0.00 H new ATOM 230 N LYS A 565 -20.417 1.916 -6.828 1.00 0.00 N ATOM 231 CA LYS A 565 -19.154 2.588 -6.544 1.00 0.00 C ATOM 232 C LYS A 565 -18.300 1.756 -5.593 1.00 0.00 C ATOM 233 O LYS A 565 -17.081 1.729 -5.708 1.00 0.00 O ATOM 234 CB LYS A 565 -19.394 3.981 -5.956 1.00 0.00 C ATOM 235 CG LYS A 565 -20.249 3.979 -4.704 1.00 0.00 C ATOM 236 CD LYS A 565 -20.179 5.313 -3.986 1.00 0.00 C ATOM 237 CE LYS A 565 -20.825 6.435 -4.787 1.00 0.00 C ATOM 238 NZ LYS A 565 -20.819 7.721 -4.039 1.00 0.00 N ATOM 0 H LYS A 565 -21.244 2.494 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.618 2.700 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.432 4.439 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.872 4.606 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.284 3.760 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.916 3.186 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.674 5.229 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -19.136 5.563 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -20.294 6.561 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.851 6.162 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.267 8.461 -4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.347 7.608 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.838 7.994 -3.826 1.00 0.00 H new ATOM 252 N LEU A 566 -18.948 1.080 -4.657 1.00 0.00 N ATOM 253 CA LEU A 566 -18.253 0.211 -3.723 1.00 0.00 C ATOM 254 C LEU A 566 -18.108 -1.187 -4.290 1.00 0.00 C ATOM 255 O LEU A 566 -17.147 -1.886 -3.980 1.00 0.00 O ATOM 256 CB LEU A 566 -18.989 0.153 -2.394 1.00 0.00 C ATOM 257 CG LEU A 566 -19.298 1.505 -1.758 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.588 1.306 -0.295 1.00 0.00 C ATOM 259 CD2 LEU A 566 -18.149 2.481 -1.942 1.00 0.00 C ATOM 0 H LEU A 566 -19.959 1.118 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.259 0.627 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.926 -0.384 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.393 -0.432 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 566 -20.170 1.933 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.810 2.268 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.445 0.643 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -18.719 0.862 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -18.403 3.434 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -17.250 2.077 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -17.968 2.633 -3.006 1.00 0.00 H new ATOM 271 N GLN A 567 -19.073 -1.590 -5.109 1.00 0.00 N ATOM 272 CA GLN A 567 -19.029 -2.889 -5.762 1.00 0.00 C ATOM 273 C GLN A 567 -17.705 -3.080 -6.478 1.00 0.00 C ATOM 274 O GLN A 567 -16.919 -3.952 -6.117 1.00 0.00 O ATOM 275 CB GLN A 567 -20.176 -3.044 -6.763 1.00 0.00 C ATOM 276 CG GLN A 567 -21.545 -3.186 -6.125 1.00 0.00 C ATOM 277 CD GLN A 567 -22.633 -3.448 -7.150 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.784 -3.052 -6.969 1.00 0.00 O ATOM 279 NE2 GLN A 567 -22.281 -4.123 -8.235 1.00 0.00 N ATOM 0 H GLN A 567 -19.897 -1.033 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.135 -3.650 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.184 -2.178 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.985 -3.919 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.524 -4.003 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.782 -2.277 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -21.317 -4.435 -8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -22.974 -4.330 -8.954 1.00 0.00 H new ATOM 288 N ARG A 568 -17.434 -2.226 -7.457 1.00 0.00 N ATOM 289 CA ARG A 568 -16.218 -2.349 -8.245 1.00 0.00 C ATOM 290 C ARG A 568 -15.001 -1.927 -7.420 1.00 0.00 C ATOM 291 O ARG A 568 -13.871 -2.305 -7.719 1.00 0.00 O ATOM 292 CB ARG A 568 -16.327 -1.541 -9.545 1.00 0.00 C ATOM 293 CG ARG A 568 -15.768 -0.132 -9.484 1.00 0.00 C ATOM 294 CD ARG A 568 -16.628 0.775 -8.630 1.00 0.00 C ATOM 295 NE ARG A 568 -16.221 2.177 -8.736 1.00 0.00 N ATOM 296 CZ ARG A 568 -15.117 2.685 -8.176 1.00 0.00 C ATOM 297 NH1 ARG A 568 -14.305 1.912 -7.460 1.00 0.00 N ATOM 298 NH2 ARG A 568 -14.826 3.968 -8.334 1.00 0.00 N ATOM 0 H ARG A 568 -18.036 -1.446 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.086 -3.395 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.810 -2.085 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.377 -1.485 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.756 -0.159 -9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.699 0.276 -10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.670 0.676 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -16.567 0.458 -7.589 1.00 0.00 H new ATOM 0 HE ARG A 568 -16.818 2.808 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -14.522 0.923 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -13.466 2.308 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -15.443 4.567 -8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -13.985 4.356 -7.908 1.00 0.00 H new ATOM 312 N GLU A 569 -15.257 -1.142 -6.378 1.00 0.00 N ATOM 313 CA GLU A 569 -14.211 -0.711 -5.455 1.00 0.00 C ATOM 314 C GLU A 569 -13.629 -1.925 -4.738 1.00 0.00 C ATOM 315 O GLU A 569 -12.424 -2.174 -4.767 1.00 0.00 O ATOM 316 CB GLU A 569 -14.794 0.267 -4.425 1.00 0.00 C ATOM 317 CG GLU A 569 -13.749 1.015 -3.617 1.00 0.00 C ATOM 318 CD GLU A 569 -13.221 2.229 -4.348 1.00 0.00 C ATOM 319 OE1 GLU A 569 -12.398 2.069 -5.267 1.00 0.00 O ATOM 320 OE2 GLU A 569 -13.646 3.354 -4.010 1.00 0.00 O ATOM 0 H GLU A 569 -16.186 -0.789 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.422 -0.210 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.423 0.991 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.439 -0.285 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.182 1.326 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.922 0.344 -3.387 1.00 0.00 H new ATOM 327 N LEU A 570 -14.518 -2.697 -4.133 1.00 0.00 N ATOM 328 CA LEU A 570 -14.142 -3.853 -3.336 1.00 0.00 C ATOM 329 C LEU A 570 -13.657 -4.997 -4.234 1.00 0.00 C ATOM 330 O LEU A 570 -12.988 -5.913 -3.779 1.00 0.00 O ATOM 331 CB LEU A 570 -15.350 -4.282 -2.495 1.00 0.00 C ATOM 332 CG LEU A 570 -15.047 -4.796 -1.081 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.336 -4.973 -0.295 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.284 -6.111 -1.114 1.00 0.00 C ATOM 0 H LEU A 570 -15.524 -2.538 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.316 -3.592 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.028 -3.433 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.883 -5.064 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.420 -4.051 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.105 -5.338 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -16.852 -4.016 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -16.977 -5.692 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.088 -6.443 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.878 -6.863 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.339 -5.970 -1.638 1.00 0.00 H new ATOM 346 N GLU A 571 -13.989 -4.940 -5.512 1.00 0.00 N ATOM 347 CA GLU A 571 -13.563 -5.978 -6.448 1.00 0.00 C ATOM 348 C GLU A 571 -12.077 -5.871 -6.786 1.00 0.00 C ATOM 349 O GLU A 571 -11.468 -6.840 -7.241 1.00 0.00 O ATOM 350 CB GLU A 571 -14.397 -5.929 -7.729 1.00 0.00 C ATOM 351 CG GLU A 571 -15.838 -6.364 -7.527 1.00 0.00 C ATOM 352 CD GLU A 571 -16.620 -6.422 -8.821 1.00 0.00 C ATOM 353 OE1 GLU A 571 -16.622 -7.490 -9.474 1.00 0.00 O ATOM 354 OE2 GLU A 571 -17.237 -5.404 -9.197 1.00 0.00 O ATOM 0 H GLU A 571 -14.547 -4.194 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.723 -6.937 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.384 -4.913 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.934 -6.569 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.853 -7.346 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.329 -5.673 -6.842 1.00 0.00 H new ATOM 361 N GLN A 572 -11.496 -4.701 -6.573 1.00 0.00 N ATOM 362 CA GLN A 572 -10.081 -4.497 -6.867 1.00 0.00 C ATOM 363 C GLN A 572 -9.267 -4.261 -5.599 1.00 0.00 C ATOM 364 O GLN A 572 -8.101 -4.649 -5.511 1.00 0.00 O ATOM 365 CB GLN A 572 -9.905 -3.309 -7.812 1.00 0.00 C ATOM 366 CG GLN A 572 -10.682 -2.071 -7.386 1.00 0.00 C ATOM 367 CD GLN A 572 -10.351 -0.848 -8.221 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.425 0.283 -7.745 1.00 0.00 O ATOM 369 NE2 GLN A 572 -9.992 -1.066 -9.477 1.00 0.00 N ATOM 0 H GLN A 572 -11.976 -3.882 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.713 -5.406 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -8.846 -3.059 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -10.223 -3.601 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.750 -2.276 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.469 -1.858 -6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -9.942 -2.020 -9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -9.765 -0.280 -10.086 1.00 0.00 H new ATOM 378 N LEU A 573 -9.905 -3.630 -4.631 1.00 0.00 N ATOM 379 CA LEU A 573 -9.248 -3.141 -3.419 1.00 0.00 C ATOM 380 C LEU A 573 -8.421 -4.229 -2.697 1.00 0.00 C ATOM 381 O LEU A 573 -7.261 -3.988 -2.382 1.00 0.00 O ATOM 382 CB LEU A 573 -10.316 -2.556 -2.489 1.00 0.00 C ATOM 383 CG LEU A 573 -9.887 -1.375 -1.619 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.056 -0.902 -0.780 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.707 -1.729 -0.734 1.00 0.00 C ATOM 0 H LEU A 573 -10.906 -3.437 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.532 -2.372 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.164 -2.242 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.671 -3.351 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.568 -0.569 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.743 -0.060 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.870 -0.590 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.397 -1.715 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.432 -0.864 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.979 -2.556 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.861 -2.022 -1.356 1.00 0.00 H new ATOM 397 N PRO A 574 -8.978 -5.432 -2.405 1.00 0.00 N ATOM 398 CA PRO A 574 -8.223 -6.494 -1.716 1.00 0.00 C ATOM 399 C PRO A 574 -6.949 -6.885 -2.463 1.00 0.00 C ATOM 400 O PRO A 574 -5.904 -7.114 -1.850 1.00 0.00 O ATOM 401 CB PRO A 574 -9.203 -7.668 -1.669 1.00 0.00 C ATOM 402 CG PRO A 574 -10.546 -7.043 -1.790 1.00 0.00 C ATOM 403 CD PRO A 574 -10.360 -5.855 -2.685 1.00 0.00 C ATOM 0 HA PRO A 574 -7.884 -6.172 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.019 -8.371 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.108 -8.226 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.267 -7.743 -2.213 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.928 -6.742 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.496 -6.117 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.076 -5.065 -2.459 1.00 0.00 H new ATOM 411 N GLN A 575 -7.038 -6.944 -3.789 1.00 0.00 N ATOM 412 CA GLN A 575 -5.872 -7.224 -4.623 1.00 0.00 C ATOM 413 C GLN A 575 -4.854 -6.106 -4.471 1.00 0.00 C ATOM 414 O GLN A 575 -3.646 -6.335 -4.477 1.00 0.00 O ATOM 415 CB GLN A 575 -6.270 -7.342 -6.094 1.00 0.00 C ATOM 416 CG GLN A 575 -7.202 -8.502 -6.400 1.00 0.00 C ATOM 417 CD GLN A 575 -7.549 -8.577 -7.874 1.00 0.00 C ATOM 418 OE1 GLN A 575 -6.757 -8.187 -8.729 1.00 0.00 O ATOM 419 NE2 GLN A 575 -8.736 -9.072 -8.181 1.00 0.00 N ATOM 0 H GLN A 575 -7.904 -6.802 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.439 -8.170 -4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.751 -6.414 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.367 -7.449 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.733 -9.436 -6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -8.117 -8.396 -5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.365 -9.385 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.023 -9.141 -9.157 1.00 0.00 H new ATOM 428 N LEU A 576 -5.368 -4.898 -4.334 1.00 0.00 N ATOM 429 CA LEU A 576 -4.547 -3.717 -4.153 1.00 0.00 C ATOM 430 C LEU A 576 -3.877 -3.720 -2.775 1.00 0.00 C ATOM 431 O LEU A 576 -2.739 -3.288 -2.640 1.00 0.00 O ATOM 432 CB LEU A 576 -5.409 -2.470 -4.343 1.00 0.00 C ATOM 433 CG LEU A 576 -4.775 -1.165 -3.888 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.667 -0.736 -4.838 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.828 -0.076 -3.757 1.00 0.00 C ATOM 0 H LEU A 576 -6.370 -4.708 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.752 -3.717 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.663 -2.382 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.344 -2.609 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.329 -1.329 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.231 0.200 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.896 -1.506 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.079 -0.594 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.355 0.850 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.309 0.083 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.576 -0.379 -3.024 1.00 0.00 H new ATOM 447 N LEU A 577 -4.580 -4.208 -1.758 1.00 0.00 N ATOM 448 CA LEU A 577 -3.987 -4.348 -0.428 1.00 0.00 C ATOM 449 C LEU A 577 -2.765 -5.235 -0.466 1.00 0.00 C ATOM 450 O LEU A 577 -1.697 -4.836 -0.020 1.00 0.00 O ATOM 451 CB LEU A 577 -4.986 -4.900 0.590 1.00 0.00 C ATOM 452 CG LEU A 577 -5.771 -3.861 1.395 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.431 -2.431 0.974 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.262 -4.123 1.289 1.00 0.00 C ATOM 0 H LEU A 577 -5.552 -4.511 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.694 -3.347 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.698 -5.535 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.446 -5.539 1.289 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.474 -3.962 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.011 -1.728 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.368 -2.249 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.671 -2.295 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.805 -3.375 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.568 -4.066 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.486 -5.116 1.679 1.00 0.00 H new ATOM 466 N GLU A 578 -2.908 -6.429 -1.007 1.00 0.00 N ATOM 467 CA GLU A 578 -1.773 -7.330 -1.094 1.00 0.00 C ATOM 468 C GLU A 578 -0.735 -6.791 -2.078 1.00 0.00 C ATOM 469 O GLU A 578 0.444 -7.122 -1.988 1.00 0.00 O ATOM 470 CB GLU A 578 -2.208 -8.752 -1.458 1.00 0.00 C ATOM 471 CG GLU A 578 -3.123 -8.838 -2.666 1.00 0.00 C ATOM 472 CD GLU A 578 -3.549 -10.260 -2.957 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.302 -10.836 -2.148 1.00 0.00 O ATOM 474 OE2 GLU A 578 -3.115 -10.819 -3.984 1.00 0.00 O ATOM 0 H GLU A 578 -3.781 -6.794 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.309 -7.383 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.319 -9.354 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.716 -9.194 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -4.007 -8.223 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.612 -8.428 -3.537 1.00 0.00 H new ATOM 481 N ASP A 579 -1.181 -5.941 -3.002 1.00 0.00 N ATOM 482 CA ASP A 579 -0.267 -5.245 -3.903 1.00 0.00 C ATOM 483 C ASP A 579 0.637 -4.333 -3.103 1.00 0.00 C ATOM 484 O ASP A 579 1.852 -4.374 -3.231 1.00 0.00 O ATOM 485 CB ASP A 579 -1.021 -4.374 -4.908 1.00 0.00 C ATOM 486 CG ASP A 579 -0.196 -4.079 -6.145 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.022 -5.001 -6.958 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.256 -2.925 -6.301 1.00 0.00 O ATOM 0 H ASP A 579 -2.166 -5.719 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 579 0.303 -6.005 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.944 -4.876 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.305 -3.436 -4.431 1.00 0.00 H new ATOM 493 N LEU A 580 0.014 -3.513 -2.270 1.00 0.00 N ATOM 494 CA LEU A 580 0.713 -2.504 -1.490 1.00 0.00 C ATOM 495 C LEU A 580 1.499 -3.134 -0.356 1.00 0.00 C ATOM 496 O LEU A 580 2.550 -2.638 0.033 1.00 0.00 O ATOM 497 CB LEU A 580 -0.290 -1.509 -0.931 1.00 0.00 C ATOM 498 CG LEU A 580 -1.200 -0.877 -1.974 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.323 -0.111 -1.300 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.393 0.021 -2.900 1.00 0.00 C ATOM 0 H LEU A 580 -0.994 -3.529 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 580 1.417 -1.990 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.907 -2.013 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.252 -0.718 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.650 -1.665 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.966 0.335 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.909 -0.792 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.902 0.675 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.055 0.467 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.084 0.810 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.371 -0.570 -3.405 1.00 0.00 H new ATOM 512 N GLU A 581 0.970 -4.221 0.176 1.00 0.00 N ATOM 513 CA GLU A 581 1.653 -4.977 1.207 1.00 0.00 C ATOM 514 C GLU A 581 2.938 -5.568 0.643 1.00 0.00 C ATOM 515 O GLU A 581 4.017 -5.414 1.214 1.00 0.00 O ATOM 516 CB GLU A 581 0.743 -6.091 1.718 1.00 0.00 C ATOM 517 CG GLU A 581 1.291 -6.810 2.933 1.00 0.00 C ATOM 518 CD GLU A 581 1.288 -5.951 4.179 1.00 0.00 C ATOM 519 OE1 GLU A 581 2.294 -5.256 4.434 1.00 0.00 O ATOM 520 OE2 GLU A 581 0.284 -5.981 4.924 1.00 0.00 O ATOM 0 H GLU A 581 0.062 -4.601 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 581 1.901 -4.315 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.231 -5.669 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.584 -6.815 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 581 0.699 -7.707 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 581 2.310 -7.137 2.726 1.00 0.00 H new ATOM 527 N ALA A 582 2.811 -6.230 -0.500 1.00 0.00 N ATOM 528 CA ALA A 582 3.961 -6.779 -1.209 1.00 0.00 C ATOM 529 C ALA A 582 4.871 -5.659 -1.709 1.00 0.00 C ATOM 530 O ALA A 582 6.085 -5.836 -1.831 1.00 0.00 O ATOM 531 CB ALA A 582 3.495 -7.635 -2.375 1.00 0.00 C ATOM 0 H ALA A 582 1.916 -6.401 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 582 4.529 -7.401 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.361 -8.040 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.880 -8.454 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.909 -7.025 -3.062 1.00 0.00 H new ATOM 537 N LYS A 583 4.271 -4.511 -1.994 1.00 0.00 N ATOM 538 CA LYS A 583 5.005 -3.340 -2.455 1.00 0.00 C ATOM 539 C LYS A 583 5.874 -2.810 -1.325 1.00 0.00 C ATOM 540 O LYS A 583 7.060 -2.534 -1.507 1.00 0.00 O ATOM 541 CB LYS A 583 4.019 -2.263 -2.926 1.00 0.00 C ATOM 542 CG LYS A 583 4.678 -1.020 -3.502 1.00 0.00 C ATOM 543 CD LYS A 583 3.646 0.023 -3.895 1.00 0.00 C ATOM 544 CE LYS A 583 4.304 1.274 -4.449 1.00 0.00 C ATOM 545 NZ LYS A 583 3.301 2.299 -4.844 1.00 0.00 N ATOM 0 H LYS A 583 3.265 -4.365 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 583 5.646 -3.615 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.361 -2.694 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.390 -1.970 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.364 -0.597 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.272 -1.292 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 583 2.970 -0.395 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.041 0.283 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.976 1.693 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 583 4.914 1.011 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 3.790 3.138 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.675 1.908 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.735 2.569 -4.014 1.00 0.00 H new ATOM 559 N LEU A 584 5.273 -2.693 -0.151 1.00 0.00 N ATOM 560 CA LEU A 584 5.984 -2.270 1.037 1.00 0.00 C ATOM 561 C LEU A 584 7.052 -3.300 1.385 1.00 0.00 C ATOM 562 O LEU A 584 8.189 -2.940 1.639 1.00 0.00 O ATOM 563 CB LEU A 584 4.999 -2.060 2.201 1.00 0.00 C ATOM 564 CG LEU A 584 5.601 -1.531 3.512 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.244 -2.654 4.305 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.607 -0.426 3.228 1.00 0.00 C ATOM 0 H LEU A 584 4.283 -2.888 0.001 1.00 0.00 H new ATOM 0 HA LEU A 584 6.477 -1.316 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.226 -1.365 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.507 -3.010 2.409 1.00 0.00 H new ATOM 0 HG LEU A 584 4.794 -1.114 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.663 -2.254 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.493 -3.407 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 584 7.039 -3.109 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 584 7.024 -0.063 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.409 -0.817 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 584 6.110 0.394 2.710 1.00 0.00 H new ATOM 578 N GLU A 585 6.674 -4.577 1.377 1.00 0.00 N ATOM 579 CA GLU A 585 7.620 -5.673 1.608 1.00 0.00 C ATOM 580 C GLU A 585 8.850 -5.523 0.711 1.00 0.00 C ATOM 581 O GLU A 585 9.987 -5.682 1.160 1.00 0.00 O ATOM 582 CB GLU A 585 6.920 -7.010 1.339 1.00 0.00 C ATOM 583 CG GLU A 585 7.844 -8.223 1.312 1.00 0.00 C ATOM 584 CD GLU A 585 8.483 -8.524 2.656 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.741 -8.836 3.610 1.00 0.00 O ATOM 586 OE2 GLU A 585 9.728 -8.475 2.753 1.00 0.00 O ATOM 0 H GLU A 585 5.715 -4.882 1.212 1.00 0.00 H new ATOM 0 HA GLU A 585 7.956 -5.643 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.161 -7.167 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.400 -6.946 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 585 7.278 -9.095 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 585 8.629 -8.056 0.574 1.00 0.00 H new ATOM 593 N ALA A 586 8.610 -5.183 -0.549 1.00 0.00 N ATOM 594 CA ALA A 586 9.678 -4.992 -1.516 1.00 0.00 C ATOM 595 C ALA A 586 10.544 -3.796 -1.136 1.00 0.00 C ATOM 596 O ALA A 586 11.757 -3.917 -0.964 1.00 0.00 O ATOM 597 CB ALA A 586 9.087 -4.797 -2.908 1.00 0.00 C ATOM 0 H ALA A 586 7.674 -5.033 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 586 10.309 -5.881 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.892 -4.654 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.506 -5.677 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.440 -3.920 -2.909 1.00 0.00 H new ATOM 603 N LEU A 587 9.901 -2.648 -0.978 1.00 0.00 N ATOM 604 CA LEU A 587 10.594 -1.404 -0.671 1.00 0.00 C ATOM 605 C LEU A 587 11.301 -1.485 0.678 1.00 0.00 C ATOM 606 O LEU A 587 12.469 -1.124 0.796 1.00 0.00 O ATOM 607 CB LEU A 587 9.592 -0.250 -0.681 1.00 0.00 C ATOM 608 CG LEU A 587 8.884 -0.041 -2.019 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.703 0.895 -1.859 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.854 0.498 -3.058 1.00 0.00 C ATOM 0 H LEU A 587 8.889 -2.552 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 587 11.355 -1.231 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.842 -0.429 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.112 0.669 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 587 8.512 -1.006 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.213 1.030 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.995 0.469 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.051 1.860 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.332 0.640 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.257 1.452 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.670 -0.212 -3.197 1.00 0.00 H new ATOM 622 N GLN A 588 10.591 -1.988 1.679 1.00 0.00 N ATOM 623 CA GLN A 588 11.131 -2.138 3.026 1.00 0.00 C ATOM 624 C GLN A 588 12.342 -3.058 3.028 1.00 0.00 C ATOM 625 O GLN A 588 13.260 -2.876 3.815 1.00 0.00 O ATOM 626 CB GLN A 588 10.062 -2.696 3.967 1.00 0.00 C ATOM 627 CG GLN A 588 9.609 -1.720 5.039 1.00 0.00 C ATOM 628 CD GLN A 588 10.698 -1.426 6.051 1.00 0.00 C ATOM 629 OE1 GLN A 588 10.832 -2.120 7.058 1.00 0.00 O ATOM 630 NE2 GLN A 588 11.482 -0.393 5.794 1.00 0.00 N ATOM 0 H GLN A 588 9.626 -2.303 1.582 1.00 0.00 H new ATOM 0 HA GLN A 588 11.441 -1.153 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.197 -2.999 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.450 -3.594 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.293 -0.789 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.739 -2.128 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 588 11.339 0.158 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 588 12.230 -0.147 6.442 1.00 0.00 H new ATOM 639 N THR A 589 12.341 -4.042 2.140 1.00 0.00 N ATOM 640 CA THR A 589 13.441 -4.986 2.049 1.00 0.00 C ATOM 641 C THR A 589 14.646 -4.350 1.349 1.00 0.00 C ATOM 642 O THR A 589 15.791 -4.687 1.643 1.00 0.00 O ATOM 643 CB THR A 589 12.986 -6.286 1.334 1.00 0.00 C ATOM 644 OG1 THR A 589 13.342 -7.429 2.122 1.00 0.00 O ATOM 645 CG2 THR A 589 13.581 -6.415 -0.063 1.00 0.00 C ATOM 0 H THR A 589 11.588 -4.206 1.472 1.00 0.00 H new ATOM 0 HA THR A 589 13.753 -5.255 3.058 1.00 0.00 H new ATOM 0 HB THR A 589 11.903 -6.234 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.050 -8.245 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.233 -7.340 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 589 13.267 -5.567 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.669 -6.430 0.005 1.00 0.00 H new ATOM 653 N GLN A 590 14.386 -3.416 0.439 1.00 0.00 N ATOM 654 CA GLN A 590 15.459 -2.650 -0.183 1.00 0.00 C ATOM 655 C GLN A 590 16.128 -1.800 0.883 1.00 0.00 C ATOM 656 O GLN A 590 17.348 -1.760 1.010 1.00 0.00 O ATOM 657 CB GLN A 590 14.909 -1.725 -1.268 1.00 0.00 C ATOM 658 CG GLN A 590 14.037 -2.405 -2.305 1.00 0.00 C ATOM 659 CD GLN A 590 14.782 -3.431 -3.136 1.00 0.00 C ATOM 660 OE1 GLN A 590 15.363 -3.103 -4.171 1.00 0.00 O ATOM 661 NE2 GLN A 590 14.736 -4.682 -2.714 1.00 0.00 N ATOM 0 H GLN A 590 13.449 -3.173 0.118 1.00 0.00 H new ATOM 0 HA GLN A 590 16.169 -3.342 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.331 -0.933 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.746 -1.247 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.201 -2.892 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.615 -1.649 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 590 14.244 -4.911 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 590 15.193 -5.419 -3.252 1.00 0.00 H new ATOM 670 N VAL A 591 15.278 -1.149 1.662 1.00 0.00 N ATOM 671 CA VAL A 591 15.687 -0.237 2.718 1.00 0.00 C ATOM 672 C VAL A 591 16.212 -1.005 3.933 1.00 0.00 C ATOM 673 O VAL A 591 16.875 -0.443 4.808 1.00 0.00 O ATOM 674 CB VAL A 591 14.475 0.637 3.113 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.832 1.666 4.171 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.903 1.313 1.876 1.00 0.00 C ATOM 0 H VAL A 591 14.266 -1.242 1.576 1.00 0.00 H new ATOM 0 HA VAL A 591 16.497 0.395 2.355 1.00 0.00 H new ATOM 0 HB VAL A 591 13.720 -0.016 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.949 2.257 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.190 1.158 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.614 2.323 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.049 1.928 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.667 1.942 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.583 0.554 1.162 1.00 0.00 H new ATOM 686 N ALA A 592 15.916 -2.295 3.972 1.00 0.00 N ATOM 687 CA ALA A 592 16.385 -3.162 5.043 1.00 0.00 C ATOM 688 C ALA A 592 17.898 -3.309 4.991 1.00 0.00 C ATOM 689 O ALA A 592 18.552 -3.492 6.019 1.00 0.00 O ATOM 690 CB ALA A 592 15.723 -4.526 4.947 1.00 0.00 C ATOM 0 H ALA A 592 15.349 -2.768 3.269 1.00 0.00 H new ATOM 0 HA ALA A 592 16.114 -2.706 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.084 -5.163 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.642 -4.412 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.968 -4.982 3.988 1.00 0.00 H new ATOM 696 N ASP A 593 18.442 -3.227 3.786 1.00 0.00 N ATOM 697 CA ASP A 593 19.880 -3.331 3.590 1.00 0.00 C ATOM 698 C ASP A 593 20.559 -2.011 3.927 1.00 0.00 C ATOM 699 O ASP A 593 20.208 -0.963 3.389 1.00 0.00 O ATOM 700 CB ASP A 593 20.197 -3.734 2.152 1.00 0.00 C ATOM 701 CG ASP A 593 21.660 -4.068 1.962 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.034 -5.243 2.153 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.446 -3.161 1.630 1.00 0.00 O ATOM 0 H ASP A 593 17.908 -3.089 2.928 1.00 0.00 H new ATOM 0 HA ASP A 593 20.262 -4.102 4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.590 -4.596 1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.921 -2.922 1.480 1.00 0.00 H new ATOM 708 N ALA A 594 21.537 -2.074 4.823 1.00 0.00 N ATOM 709 CA ALA A 594 22.229 -0.885 5.313 1.00 0.00 C ATOM 710 C ALA A 594 22.999 -0.156 4.215 1.00 0.00 C ATOM 711 O ALA A 594 23.303 1.031 4.344 1.00 0.00 O ATOM 712 CB ALA A 594 23.168 -1.263 6.445 1.00 0.00 C ATOM 0 H ALA A 594 21.873 -2.947 5.230 1.00 0.00 H new ATOM 0 HA ALA A 594 21.466 -0.197 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.681 -0.371 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.596 -1.707 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 594 23.903 -1.983 6.083 1.00 0.00 H new ATOM 718 N SER A 595 23.312 -0.856 3.133 1.00 0.00 N ATOM 719 CA SER A 595 24.070 -0.262 2.047 1.00 0.00 C ATOM 720 C SER A 595 23.137 0.482 1.094 1.00 0.00 C ATOM 721 O SER A 595 23.593 1.171 0.180 1.00 0.00 O ATOM 722 CB SER A 595 24.866 -1.335 1.299 1.00 0.00 C ATOM 723 OG SER A 595 25.745 -0.756 0.348 1.00 0.00 O ATOM 0 H SER A 595 23.053 -1.832 2.987 1.00 0.00 H new ATOM 0 HA SER A 595 24.776 0.455 2.466 1.00 0.00 H new ATOM 0 HB2 SER A 595 25.438 -1.929 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.179 -2.015 0.796 1.00 0.00 H new ATOM 0 HG SER A 595 25.332 0.047 -0.032 1.00 0.00 H new ATOM 729 N PHE A 596 21.833 0.344 1.317 1.00 0.00 N ATOM 730 CA PHE A 596 20.839 1.069 0.535 1.00 0.00 C ATOM 731 C PHE A 596 21.048 2.575 0.662 1.00 0.00 C ATOM 732 O PHE A 596 21.103 3.288 -0.332 1.00 0.00 O ATOM 733 CB PHE A 596 19.428 0.689 0.998 1.00 0.00 C ATOM 734 CG PHE A 596 18.360 1.659 0.585 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.876 1.676 -0.711 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.846 2.563 1.501 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.899 2.577 -1.086 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.873 3.466 1.133 1.00 0.00 C ATOM 739 CZ PHE A 596 16.398 3.474 -0.161 1.00 0.00 C ATOM 0 H PHE A 596 21.440 -0.265 2.035 1.00 0.00 H new ATOM 0 HA PHE A 596 20.955 0.794 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.181 -0.296 0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.425 0.605 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.266 0.978 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.213 2.559 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.527 2.581 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.483 4.166 1.857 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.635 4.181 -0.452 1.00 0.00 H new ATOM 749 N PHE A 597 21.202 3.042 1.893 1.00 0.00 N ATOM 750 CA PHE A 597 21.309 4.476 2.164 1.00 0.00 C ATOM 751 C PHE A 597 22.575 5.084 1.558 1.00 0.00 C ATOM 752 O PHE A 597 22.690 6.305 1.438 1.00 0.00 O ATOM 753 CB PHE A 597 21.278 4.733 3.668 1.00 0.00 C ATOM 754 CG PHE A 597 19.959 4.404 4.309 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.947 5.350 4.358 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.729 3.153 4.860 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.733 5.053 4.944 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.516 2.853 5.448 1.00 0.00 C ATOM 759 CZ PHE A 597 17.517 3.805 5.488 1.00 0.00 C ATOM 0 H PHE A 597 21.256 2.452 2.723 1.00 0.00 H new ATOM 0 HA PHE A 597 20.453 4.959 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.061 4.143 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.511 5.782 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.110 6.330 3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.507 2.405 4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.952 5.799 4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.349 1.875 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.567 3.572 5.945 1.00 0.00 H new ATOM 769 N SER A 598 23.512 4.232 1.162 1.00 0.00 N ATOM 770 CA SER A 598 24.760 4.685 0.562 1.00 0.00 C ATOM 771 C SER A 598 24.553 5.063 -0.907 1.00 0.00 C ATOM 772 O SER A 598 25.454 5.598 -1.563 1.00 0.00 O ATOM 773 CB SER A 598 25.817 3.592 0.697 1.00 0.00 C ATOM 774 OG SER A 598 25.968 3.215 2.054 1.00 0.00 O ATOM 0 H SER A 598 23.430 3.219 1.246 1.00 0.00 H new ATOM 0 HA SER A 598 25.102 5.577 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.530 2.725 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.769 3.948 0.304 1.00 0.00 H new ATOM 0 HG SER A 598 26.648 2.512 2.125 1.00 0.00 H new ATOM 780 N GLN A 599 23.358 4.787 -1.411 1.00 0.00 N ATOM 781 CA GLN A 599 22.979 5.154 -2.763 1.00 0.00 C ATOM 782 C GLN A 599 22.586 6.631 -2.801 1.00 0.00 C ATOM 783 O GLN A 599 22.369 7.234 -1.747 1.00 0.00 O ATOM 784 CB GLN A 599 21.832 4.250 -3.226 1.00 0.00 C ATOM 785 CG GLN A 599 22.260 2.802 -3.388 1.00 0.00 C ATOM 786 CD GLN A 599 21.128 1.877 -3.786 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.456 1.293 -2.938 1.00 0.00 O ATOM 788 NE2 GLN A 599 20.920 1.729 -5.085 1.00 0.00 N ATOM 0 H GLN A 599 22.626 4.302 -0.892 1.00 0.00 H new ATOM 0 HA GLN A 599 23.818 5.015 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.016 4.306 -2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.444 4.619 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 599 23.046 2.746 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.692 2.452 -2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.501 2.233 -5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 599 20.179 1.111 -5.416 1.00 0.00 H new ATOM 797 N PRO A 600 22.515 7.246 -3.999 1.00 0.00 N ATOM 798 CA PRO A 600 22.169 8.662 -4.144 1.00 0.00 C ATOM 799 C PRO A 600 20.917 9.039 -3.362 1.00 0.00 C ATOM 800 O PRO A 600 19.933 8.304 -3.356 1.00 0.00 O ATOM 801 CB PRO A 600 21.903 8.827 -5.649 1.00 0.00 C ATOM 802 CG PRO A 600 21.907 7.447 -6.219 1.00 0.00 C ATOM 803 CD PRO A 600 22.764 6.628 -5.308 1.00 0.00 C ATOM 0 HA PRO A 600 22.963 9.302 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 600 20.947 9.319 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.670 9.445 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 600 20.896 7.043 -6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 600 22.304 7.445 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.480 5.576 -5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.817 6.678 -5.587 1.00 0.00 H new ATOM 811 N HIS A 601 20.978 10.193 -2.699 1.00 0.00 N ATOM 812 CA HIS A 601 19.835 10.762 -1.978 1.00 0.00 C ATOM 813 C HIS A 601 18.607 10.790 -2.872 1.00 0.00 C ATOM 814 O HIS A 601 17.496 10.562 -2.419 1.00 0.00 O ATOM 815 CB HIS A 601 20.183 12.186 -1.518 1.00 0.00 C ATOM 816 CG HIS A 601 19.087 12.916 -0.795 1.00 0.00 C ATOM 817 ND1 HIS A 601 19.014 13.011 0.579 1.00 0.00 N ATOM 818 CD2 HIS A 601 18.046 13.640 -1.272 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.978 13.759 0.910 1.00 0.00 C ATOM 820 NE2 HIS A 601 17.376 14.154 -0.194 1.00 0.00 N ATOM 0 H HIS A 601 21.822 10.763 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 601 19.615 10.142 -1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 601 21.055 12.136 -0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.472 12.771 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.791 13.785 -2.311 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.675 14.006 1.917 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.546 14.746 -0.238 1.00 0.00 H new ATOM 829 N GLU A 602 18.827 11.057 -4.143 1.00 0.00 N ATOM 830 CA GLU A 602 17.746 11.146 -5.104 1.00 0.00 C ATOM 831 C GLU A 602 17.108 9.782 -5.357 1.00 0.00 C ATOM 832 O GLU A 602 15.904 9.695 -5.589 1.00 0.00 O ATOM 833 CB GLU A 602 18.283 11.750 -6.395 1.00 0.00 C ATOM 834 CG GLU A 602 18.899 13.121 -6.173 1.00 0.00 C ATOM 835 CD GLU A 602 19.725 13.598 -7.341 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.830 13.051 -7.549 1.00 0.00 O ATOM 837 OE2 GLU A 602 19.283 14.534 -8.042 1.00 0.00 O ATOM 0 H GLU A 602 19.754 11.218 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 602 16.963 11.788 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.031 11.082 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.474 11.830 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.105 13.842 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.526 13.091 -5.282 1.00 0.00 H new ATOM 844 N GLN A 603 17.906 8.718 -5.301 1.00 0.00 N ATOM 845 CA GLN A 603 17.380 7.378 -5.531 1.00 0.00 C ATOM 846 C GLN A 603 16.819 6.822 -4.223 1.00 0.00 C ATOM 847 O GLN A 603 15.753 6.210 -4.201 1.00 0.00 O ATOM 848 CB GLN A 603 18.467 6.442 -6.110 1.00 0.00 C ATOM 849 CG GLN A 603 19.233 5.609 -5.091 1.00 0.00 C ATOM 850 CD GLN A 603 18.512 4.316 -4.735 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.610 3.828 -3.614 1.00 0.00 O ATOM 852 NE2 GLN A 603 17.794 3.755 -5.695 1.00 0.00 N ATOM 0 H GLN A 603 18.905 8.757 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 603 16.578 7.435 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 603 17.996 5.766 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.182 7.047 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.220 5.373 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 603 19.385 6.197 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 603 17.739 4.194 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 603 17.296 2.883 -5.516 1.00 0.00 H new ATOM 861 N THR A 604 17.543 7.060 -3.131 1.00 0.00 N ATOM 862 CA THR A 604 17.169 6.522 -1.836 1.00 0.00 C ATOM 863 C THR A 604 15.893 7.162 -1.324 1.00 0.00 C ATOM 864 O THR A 604 14.982 6.468 -0.893 1.00 0.00 O ATOM 865 CB THR A 604 18.283 6.707 -0.790 1.00 0.00 C ATOM 866 OG1 THR A 604 18.779 8.051 -0.830 1.00 0.00 O ATOM 867 CG2 THR A 604 19.426 5.731 -1.018 1.00 0.00 C ATOM 0 H THR A 604 18.393 7.624 -3.123 1.00 0.00 H new ATOM 0 HA THR A 604 17.005 5.454 -1.982 1.00 0.00 H new ATOM 0 HB THR A 604 17.854 6.506 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.328 8.174 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.195 5.889 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.052 4.710 -0.947 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.851 5.894 -2.008 1.00 0.00 H new ATOM 875 N GLN A 605 15.825 8.487 -1.385 1.00 0.00 N ATOM 876 CA GLN A 605 14.631 9.202 -0.957 1.00 0.00 C ATOM 877 C GLN A 605 13.454 8.841 -1.845 1.00 0.00 C ATOM 878 O GLN A 605 12.312 8.880 -1.411 1.00 0.00 O ATOM 879 CB GLN A 605 14.864 10.708 -0.975 1.00 0.00 C ATOM 880 CG GLN A 605 15.832 11.181 0.091 1.00 0.00 C ATOM 881 CD GLN A 605 15.388 10.837 1.503 1.00 0.00 C ATOM 882 OE1 GLN A 605 14.193 10.792 1.807 1.00 0.00 O ATOM 883 NE2 GLN A 605 16.351 10.575 2.372 1.00 0.00 N ATOM 0 H GLN A 605 16.579 9.084 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 605 14.404 8.904 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.244 10.997 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.910 11.217 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.810 10.736 -0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.953 12.261 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 605 17.327 10.623 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 605 16.117 10.325 3.333 1.00 0.00 H new ATOM 892 N LYS A 606 13.744 8.490 -3.089 1.00 0.00 N ATOM 893 CA LYS A 606 12.731 7.988 -3.995 1.00 0.00 C ATOM 894 C LYS A 606 12.123 6.714 -3.419 1.00 0.00 C ATOM 895 O LYS A 606 10.906 6.597 -3.288 1.00 0.00 O ATOM 896 CB LYS A 606 13.353 7.730 -5.373 1.00 0.00 C ATOM 897 CG LYS A 606 12.352 7.438 -6.465 1.00 0.00 C ATOM 898 CD LYS A 606 11.951 5.978 -6.481 1.00 0.00 C ATOM 899 CE LYS A 606 10.879 5.721 -7.521 1.00 0.00 C ATOM 900 NZ LYS A 606 11.382 5.938 -8.903 1.00 0.00 N ATOM 0 H LYS A 606 14.679 8.545 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 606 11.938 8.726 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.942 8.601 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.043 6.890 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.466 8.057 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.778 7.709 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 606 12.823 5.360 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.585 5.687 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 606 10.517 4.698 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.030 6.379 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 10.672 5.608 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 11.561 6.952 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 12.266 5.407 -9.038 1.00 0.00 H new ATOM 914 N VAL A 607 12.988 5.780 -3.048 1.00 0.00 N ATOM 915 CA VAL A 607 12.554 4.515 -2.465 1.00 0.00 C ATOM 916 C VAL A 607 11.947 4.732 -1.078 1.00 0.00 C ATOM 917 O VAL A 607 10.906 4.174 -0.758 1.00 0.00 O ATOM 918 CB VAL A 607 13.723 3.511 -2.360 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.243 2.189 -1.782 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.376 3.294 -3.718 1.00 0.00 C ATOM 0 H VAL A 607 13.999 5.874 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 607 11.795 4.101 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 607 14.470 3.931 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.081 1.495 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.830 2.355 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.473 1.768 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.196 2.583 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.638 2.901 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.762 4.242 -4.092 1.00 0.00 H new ATOM 930 N LEU A 608 12.601 5.555 -0.269 1.00 0.00 N ATOM 931 CA LEU A 608 12.140 5.850 1.086 1.00 0.00 C ATOM 932 C LEU A 608 10.760 6.496 1.075 1.00 0.00 C ATOM 933 O LEU A 608 9.883 6.123 1.857 1.00 0.00 O ATOM 934 CB LEU A 608 13.137 6.770 1.799 1.00 0.00 C ATOM 935 CG LEU A 608 14.489 6.136 2.125 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.434 7.166 2.722 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.309 4.972 3.083 1.00 0.00 C ATOM 0 H LEU A 608 13.462 6.036 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 608 12.071 4.905 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.306 7.648 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.685 7.120 2.727 1.00 0.00 H new ATOM 0 HG LEU A 608 14.925 5.763 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.391 6.695 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.587 7.976 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 608 15.003 7.567 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.280 4.531 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.852 5.328 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.665 4.221 2.626 1.00 0.00 H new ATOM 949 N ALA A 609 10.573 7.460 0.189 1.00 0.00 N ATOM 950 CA ALA A 609 9.306 8.161 0.077 1.00 0.00 C ATOM 951 C ALA A 609 8.231 7.244 -0.492 1.00 0.00 C ATOM 952 O ALA A 609 7.089 7.253 -0.031 1.00 0.00 O ATOM 953 CB ALA A 609 9.468 9.408 -0.781 1.00 0.00 C ATOM 0 H ALA A 609 11.288 7.776 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 609 8.990 8.469 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.511 9.924 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.203 10.071 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.806 9.123 -1.777 1.00 0.00 H new ATOM 959 N ASP A 610 8.608 6.437 -1.480 1.00 0.00 N ATOM 960 CA ASP A 610 7.682 5.481 -2.080 1.00 0.00 C ATOM 961 C ASP A 610 7.323 4.402 -1.067 1.00 0.00 C ATOM 962 O ASP A 610 6.183 3.955 -1.003 1.00 0.00 O ATOM 963 CB ASP A 610 8.294 4.850 -3.331 1.00 0.00 C ATOM 964 CG ASP A 610 7.259 4.179 -4.213 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.530 4.898 -4.933 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.175 2.935 -4.209 1.00 0.00 O ATOM 0 H ASP A 610 9.546 6.426 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 610 6.775 6.010 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.811 5.619 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.043 4.116 -3.034 1.00 0.00 H new ATOM 971 N MET A 611 8.312 4.003 -0.270 1.00 0.00 N ATOM 972 CA MET A 611 8.108 3.062 0.828 1.00 0.00 C ATOM 973 C MET A 611 7.029 3.565 1.767 1.00 0.00 C ATOM 974 O MET A 611 6.055 2.869 2.056 1.00 0.00 O ATOM 975 CB MET A 611 9.409 2.875 1.615 1.00 0.00 C ATOM 976 CG MET A 611 9.257 2.006 2.847 1.00 0.00 C ATOM 977 SD MET A 611 10.823 1.708 3.684 1.00 0.00 S ATOM 978 CE MET A 611 11.219 3.357 4.260 1.00 0.00 C ATOM 0 H MET A 611 9.276 4.323 -0.367 1.00 0.00 H new ATOM 0 HA MET A 611 7.798 2.108 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.159 2.432 0.960 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.785 3.853 1.915 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.564 2.483 3.540 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.815 1.052 2.561 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.993 3.299 5.025 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.578 3.958 3.424 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.326 3.819 4.682 1.00 0.00 H new ATOM 988 N ALA A 612 7.213 4.788 2.230 1.00 0.00 N ATOM 989 CA ALA A 612 6.284 5.396 3.164 1.00 0.00 C ATOM 990 C ALA A 612 4.916 5.600 2.520 1.00 0.00 C ATOM 991 O ALA A 612 3.893 5.548 3.195 1.00 0.00 O ATOM 992 CB ALA A 612 6.834 6.717 3.681 1.00 0.00 C ATOM 0 H ALA A 612 8.001 5.382 1.973 1.00 0.00 H new ATOM 0 HA ALA A 612 6.162 4.718 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.124 7.158 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.782 6.542 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.991 7.398 2.845 1.00 0.00 H new ATOM 998 N ALA A 613 4.899 5.825 1.210 1.00 0.00 N ATOM 999 CA ALA A 613 3.643 6.007 0.494 1.00 0.00 C ATOM 1000 C ALA A 613 2.952 4.669 0.248 1.00 0.00 C ATOM 1001 O ALA A 613 1.735 4.613 0.076 1.00 0.00 O ATOM 1002 CB ALA A 613 3.863 6.737 -0.819 1.00 0.00 C ATOM 0 H ALA A 613 5.734 5.885 0.627 1.00 0.00 H new ATOM 0 HA ALA A 613 2.993 6.618 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.909 6.859 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.297 7.717 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.541 6.160 -1.447 1.00 0.00 H new ATOM 1008 N ALA A 614 3.734 3.597 0.226 1.00 0.00 N ATOM 1009 CA ALA A 614 3.193 2.258 0.046 1.00 0.00 C ATOM 1010 C ALA A 614 2.348 1.865 1.245 1.00 0.00 C ATOM 1011 O ALA A 614 1.198 1.463 1.095 1.00 0.00 O ATOM 1012 CB ALA A 614 4.309 1.250 -0.170 1.00 0.00 C ATOM 0 H ALA A 614 4.748 3.630 0.331 1.00 0.00 H new ATOM 0 HA ALA A 614 2.560 2.261 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.881 0.256 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.877 1.522 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.970 1.248 0.697 1.00 0.00 H new ATOM 1018 N GLU A 615 2.920 2.000 2.436 1.00 0.00 N ATOM 1019 CA GLU A 615 2.188 1.732 3.670 1.00 0.00 C ATOM 1020 C GLU A 615 1.066 2.753 3.859 1.00 0.00 C ATOM 1021 O GLU A 615 -0.020 2.416 4.330 1.00 0.00 O ATOM 1022 CB GLU A 615 3.142 1.742 4.867 1.00 0.00 C ATOM 1023 CG GLU A 615 4.030 2.970 4.926 1.00 0.00 C ATOM 1024 CD GLU A 615 4.952 2.971 6.123 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.029 2.348 6.051 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.603 3.603 7.141 1.00 0.00 O ATOM 0 H GLU A 615 3.887 2.293 2.574 1.00 0.00 H new ATOM 0 HA GLU A 615 1.737 0.742 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.559 1.681 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 615 3.770 0.852 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.626 3.026 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.406 3.863 4.954 1.00 0.00 H new ATOM 1033 N GLN A 616 1.340 3.995 3.466 1.00 0.00 N ATOM 1034 CA GLN A 616 0.352 5.069 3.488 1.00 0.00 C ATOM 1035 C GLN A 616 -0.888 4.676 2.689 1.00 0.00 C ATOM 1036 O GLN A 616 -2.007 4.717 3.193 1.00 0.00 O ATOM 1037 CB GLN A 616 0.990 6.336 2.905 1.00 0.00 C ATOM 1038 CG GLN A 616 0.029 7.475 2.610 1.00 0.00 C ATOM 1039 CD GLN A 616 -0.662 8.011 3.846 1.00 0.00 C ATOM 1040 OE1 GLN A 616 -1.739 7.560 4.221 1.00 0.00 O ATOM 1041 NE2 GLN A 616 -0.041 8.985 4.486 1.00 0.00 N ATOM 0 H GLN A 616 2.256 4.285 3.123 1.00 0.00 H new ATOM 0 HA GLN A 616 0.038 5.256 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.748 6.694 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.506 6.071 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 616 0.575 8.286 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.724 7.131 1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 616 0.854 9.332 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -0.456 9.390 5.325 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.678 4.281 1.443 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.774 3.873 0.579 1.00 0.00 C ATOM 1052 C GLU A 617 -2.385 2.565 1.076 1.00 0.00 C ATOM 1053 O GLU A 617 -3.597 2.371 1.000 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.271 3.742 -0.862 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.318 3.290 -1.866 1.00 0.00 C ATOM 1056 CD GLU A 617 -1.969 3.719 -3.275 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -1.158 3.031 -3.928 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -2.482 4.765 -3.727 1.00 0.00 O ATOM 0 H GLU A 617 0.243 4.234 1.007 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.556 4.632 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.874 4.705 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.442 3.034 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -2.412 2.205 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.288 3.703 -1.590 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.539 1.694 1.612 1.00 0.00 N ATOM 1066 CA LEU A 618 -1.980 0.410 2.144 1.00 0.00 C ATOM 1067 C LEU A 618 -2.998 0.600 3.264 1.00 0.00 C ATOM 1068 O LEU A 618 -4.101 0.064 3.201 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.775 -0.385 2.655 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.092 -1.754 3.262 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.747 -2.666 2.240 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.172 -2.397 3.793 1.00 0.00 C ATOM 0 H LEU A 618 -0.535 1.856 1.690 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.463 -0.146 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.080 -0.527 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.260 0.214 3.406 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.791 -1.604 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -1.961 -3.632 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.677 -2.215 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.074 -2.807 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.067 -3.370 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.885 -2.525 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.609 -1.759 4.561 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.635 1.382 4.275 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.502 1.577 5.430 1.00 0.00 C ATOM 1086 C GLU A 619 -4.783 2.319 5.047 1.00 0.00 C ATOM 1087 O GLU A 619 -5.859 2.014 5.559 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.773 2.335 6.542 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.281 3.711 6.118 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.696 4.512 7.262 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -2.480 5.066 8.060 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.455 4.607 7.365 1.00 0.00 O ATOM 0 H GLU A 619 -1.751 1.889 4.318 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.775 0.588 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.442 2.444 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -1.923 1.742 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.527 3.596 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.110 4.267 5.679 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.667 3.285 4.141 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.820 4.068 3.708 1.00 0.00 C ATOM 1101 C GLN A 620 -6.777 3.214 2.892 1.00 0.00 C ATOM 1102 O GLN A 620 -7.994 3.273 3.079 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.374 5.282 2.895 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.643 6.320 3.726 1.00 0.00 C ATOM 1105 CD GLN A 620 -5.521 6.912 4.811 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -6.193 7.920 4.598 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.510 6.303 5.984 1.00 0.00 N ATOM 0 H GLN A 620 -3.788 3.544 3.693 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.342 4.418 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.724 4.950 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -6.247 5.744 2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.764 5.864 4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -4.286 7.118 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -4.939 5.469 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -6.073 6.667 6.753 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.221 2.415 1.993 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.018 1.491 1.209 1.00 0.00 C ATOM 1118 C ALA A 621 -7.618 0.428 2.119 1.00 0.00 C ATOM 1119 O ALA A 621 -8.737 -0.028 1.902 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.180 0.859 0.108 1.00 0.00 C ATOM 0 H ALA A 621 -5.222 2.390 1.791 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.831 2.039 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.797 0.169 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.796 1.639 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.346 0.316 0.552 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.867 0.053 3.147 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.348 -0.885 4.152 1.00 0.00 C ATOM 1128 C PHE A 622 -8.564 -0.316 4.879 1.00 0.00 C ATOM 1129 O PHE A 622 -9.567 -1.005 5.057 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.243 -1.204 5.157 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.750 -2.620 5.083 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.552 -3.671 5.497 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.486 -2.900 4.593 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.101 -4.974 5.424 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.031 -4.202 4.516 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.839 -5.240 4.932 1.00 0.00 C ATOM 0 H PHE A 622 -5.917 0.387 3.307 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.641 -1.805 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.405 -0.528 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.613 -1.009 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.541 -3.469 5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.848 -2.091 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.735 -5.784 5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.043 -4.407 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.485 -6.259 4.873 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.462 0.946 5.295 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.580 1.653 5.917 1.00 0.00 C ATOM 1148 C GLU A 623 -10.808 1.595 5.018 1.00 0.00 C ATOM 1149 O GLU A 623 -11.907 1.251 5.459 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.214 3.116 6.164 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.195 3.327 7.268 1.00 0.00 C ATOM 1152 CD GLU A 623 -8.702 2.890 8.626 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -9.438 3.668 9.271 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.362 1.772 9.058 1.00 0.00 O ATOM 0 H GLU A 623 -7.611 1.502 5.211 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.800 1.168 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.824 3.542 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.120 3.668 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.287 2.773 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.924 4.382 7.309 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.596 1.942 3.754 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.635 1.871 2.739 1.00 0.00 C ATOM 1163 C ARG A 624 -12.238 0.473 2.700 1.00 0.00 C ATOM 1164 O ARG A 624 -13.453 0.308 2.769 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.036 2.218 1.370 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.029 2.218 0.221 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.027 3.350 0.353 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.743 3.598 -0.896 1.00 0.00 N ATOM 1169 CZ ARG A 624 -14.776 4.429 -1.008 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -15.223 5.088 0.058 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -15.348 4.611 -2.190 1.00 0.00 N ATOM 0 H ARG A 624 -9.699 2.280 3.406 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.422 2.585 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.573 3.203 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.242 1.506 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.494 2.311 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.558 1.265 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.743 3.112 1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.507 4.258 0.659 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.432 3.104 -1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.774 4.957 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.015 5.724 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -14.996 4.115 -3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.140 5.247 -2.281 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.366 -0.523 2.618 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.773 -1.911 2.479 1.00 0.00 C ATOM 1187 C TRP A 625 -12.628 -2.380 3.652 1.00 0.00 C ATOM 1188 O TRP A 625 -13.691 -2.970 3.450 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.544 -2.807 2.339 1.00 0.00 C ATOM 1190 CG TRP A 625 -10.889 -4.259 2.290 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.473 -4.929 1.255 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.684 -5.212 3.331 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.643 -6.249 1.593 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.166 -6.448 2.864 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.139 -5.141 4.614 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.124 -7.599 3.640 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.094 -6.284 5.382 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -10.583 -7.499 4.894 1.00 0.00 C ATOM 0 H TRP A 625 -10.355 -0.389 2.646 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.384 -1.982 1.579 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.004 -2.536 1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -9.871 -2.626 3.177 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.759 -4.488 0.312 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.057 -6.965 0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -9.759 -4.206 4.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.504 -8.539 3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -9.674 -6.240 6.376 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -10.533 -8.378 5.519 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.170 -2.121 4.873 1.00 0.00 N ATOM 1210 CA GLU A 626 -12.895 -2.571 6.055 1.00 0.00 C ATOM 1211 C GLU A 626 -14.263 -1.907 6.129 1.00 0.00 C ATOM 1212 O GLU A 626 -15.240 -2.541 6.521 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.099 -2.307 7.332 1.00 0.00 C ATOM 1214 CG GLU A 626 -10.763 -3.027 7.371 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.176 -3.083 8.764 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -10.218 -2.060 9.478 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -9.685 -4.160 9.159 1.00 0.00 O ATOM 0 H GLU A 626 -11.310 -1.608 5.068 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.036 -3.648 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.928 -1.235 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.694 -2.614 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -10.889 -4.041 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.063 -2.523 6.705 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.331 -0.638 5.736 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.608 0.060 5.632 1.00 0.00 C ATOM 1226 C TYR A 627 -16.515 -0.643 4.624 1.00 0.00 C ATOM 1227 O TYR A 627 -17.704 -0.817 4.867 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.389 1.532 5.236 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.541 2.162 4.470 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.822 2.254 5.012 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.337 2.661 3.191 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.859 2.820 4.293 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.368 3.230 2.471 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.626 3.306 3.025 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.659 3.866 2.306 1.00 0.00 O ATOM 0 H TYR A 627 -13.519 -0.074 5.485 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.096 0.040 6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.210 2.114 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.486 1.600 4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -18.007 1.878 6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.353 2.603 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.848 2.881 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -17.189 3.614 1.478 1.00 0.00 H new ATOM 0 HH TYR A 627 -19.327 4.160 1.432 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.941 -1.064 3.507 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.712 -1.699 2.446 1.00 0.00 C ATOM 1247 C LEU A 628 -17.241 -3.061 2.890 1.00 0.00 C ATOM 1248 O LEU A 628 -18.428 -3.352 2.738 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.858 -1.833 1.183 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.257 -0.519 0.684 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.467 -0.728 -0.592 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.343 0.517 0.471 1.00 0.00 C ATOM 0 H LEU A 628 -14.944 -0.978 3.311 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.572 -1.068 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.049 -2.537 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.469 -2.263 0.390 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.572 -0.153 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.052 0.224 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.656 -1.433 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.124 -1.126 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.896 1.445 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.055 0.151 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.860 0.701 1.413 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.361 -3.882 3.450 1.00 0.00 N ATOM 1265 CA GLU A 629 -16.756 -5.184 3.986 1.00 0.00 C ATOM 1266 C GLU A 629 -17.791 -5.024 5.093 1.00 0.00 C ATOM 1267 O GLU A 629 -18.699 -5.843 5.239 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.535 -5.928 4.523 1.00 0.00 C ATOM 1269 CG GLU A 629 -14.648 -6.522 3.440 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.276 -7.724 2.762 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.005 -7.544 1.767 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.044 -8.860 3.225 1.00 0.00 O ATOM 0 H GLU A 629 -15.368 -3.671 3.546 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.200 -5.763 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -14.942 -5.243 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -15.871 -6.728 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.435 -5.759 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -13.694 -6.815 3.878 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.646 -3.962 5.873 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.575 -3.669 6.953 1.00 0.00 C ATOM 1281 C ALA A 630 -19.907 -3.157 6.416 1.00 0.00 C ATOM 1282 O ALA A 630 -20.965 -3.535 6.914 1.00 0.00 O ATOM 1283 CB ALA A 630 -17.973 -2.654 7.908 1.00 0.00 C ATOM 0 H ALA A 630 -16.889 -3.286 5.776 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.762 -4.598 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.680 -2.445 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.052 -3.054 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.754 -1.732 7.369 1.00 0.00 H new ATOM 1289 N LEU A 631 -19.856 -2.290 5.408 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.071 -1.750 4.815 1.00 0.00 C ATOM 1291 C LEU A 631 -21.864 -2.867 4.161 1.00 0.00 C ATOM 1292 O LEU A 631 -23.079 -2.940 4.303 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.762 -0.676 3.770 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.946 0.238 3.444 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -22.144 1.244 4.560 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.743 0.951 2.126 1.00 0.00 C ATOM 0 H LEU A 631 -18.991 -1.949 4.988 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.653 -1.292 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.933 -0.065 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.429 -1.162 2.853 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.839 -0.381 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.988 1.891 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.343 0.717 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.243 1.848 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.601 1.592 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.840 1.559 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.642 0.217 1.327 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.145 -3.749 3.476 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.745 -4.860 2.744 1.00 0.00 C ATOM 1310 C LYS A 632 -22.537 -5.775 3.681 1.00 0.00 C ATOM 1311 O LYS A 632 -23.428 -6.508 3.250 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.642 -5.665 2.059 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.144 -6.650 1.019 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.503 -8.014 1.209 1.00 0.00 C ATOM 1315 CE LYS A 632 -18.984 -7.917 1.193 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.337 -9.219 1.490 1.00 0.00 N ATOM 0 H LYS A 632 -20.128 -3.714 3.412 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.432 -4.454 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -19.946 -4.974 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.081 -6.210 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.228 -6.740 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -20.921 -6.275 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.832 -8.445 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -20.835 -8.688 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -18.654 -7.564 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.661 -7.177 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.327 -9.068 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.790 -9.650 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.440 -9.852 0.672 1.00 0.00 H new ATOM 1330 N ASN A 633 -22.201 -5.720 4.965 1.00 0.00 N ATOM 1331 CA ASN A 633 -22.826 -6.573 5.969 1.00 0.00 C ATOM 1332 C ASN A 633 -24.305 -6.226 6.123 1.00 0.00 C ATOM 1333 O ASN A 633 -25.140 -7.100 6.362 1.00 0.00 O ATOM 1334 CB ASN A 633 -22.113 -6.403 7.313 1.00 0.00 C ATOM 1335 CG ASN A 633 -22.396 -7.534 8.284 1.00 0.00 C ATOM 1336 OD1 ASN A 633 -23.404 -7.532 8.982 1.00 0.00 O ATOM 1337 ND2 ASN A 633 -21.482 -8.490 8.358 1.00 0.00 N ATOM 0 H ASN A 633 -21.493 -5.088 5.337 1.00 0.00 H new ATOM 0 HA ASN A 633 -22.743 -7.610 5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 633 -21.038 -6.339 7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 633 -22.420 -5.459 7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 633 -21.603 -9.262 9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 633 -20.657 -8.454 7.759 1.00 0.00 H new ATOM 1344 N GLY A 634 -24.620 -4.948 5.976 1.00 0.00 N ATOM 1345 CA GLY A 634 -25.992 -4.495 6.090 1.00 0.00 C ATOM 1346 C GLY A 634 -26.196 -3.163 5.406 1.00 0.00 C ATOM 1347 O GLY A 634 -26.605 -2.186 6.038 1.00 0.00 O ATOM 0 H GLY A 634 -23.944 -4.210 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 634 -26.659 -5.237 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 634 -26.261 -4.409 7.143 1.00 0.00 H new ATOM 1351 N GLY A 635 -25.911 -3.120 4.116 1.00 0.00 N ATOM 1352 CA GLY A 635 -25.985 -1.880 3.379 1.00 0.00 C ATOM 1353 C GLY A 635 -26.092 -2.112 1.891 1.00 0.00 C ATOM 1354 O GLY A 635 -26.583 -1.213 1.182 1.00 0.00 O ATOM 1355 OXT GLY A 635 -25.709 -3.208 1.431 1.00 0.00 O ATOM 0 H GLY A 635 -25.628 -3.929 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -26.847 -1.307 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -25.100 -1.280 3.590 1.00 0.00 H new TER 1359 GLY A 635