USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 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+ -172:sc= 1.18 (180deg=0.913) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 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 -28:sc= 0.246 USER MOD Single : A 560 SER OG : rot 52:sc= 0.18 USER MOD Single : A 561 LYS NZ :NH3+ -139:sc= 0.168 (180deg=-1.69!) 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= -0.203 K(o=-0.2,f=-1.3) USER MOD Single : A 572 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.0049) USER MOD Single : A 575 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.15) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.3!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 595 SER OG : rot -18:sc= 0.255 USER MOD Single : A 598 SER OG : rot -24:sc= 0.0655 USER MOD Single : A 599 GLN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 601 HIS : no HD1:sc= -1.98! C(o=-2!,f=-3.2!) USER MOD Single : A 603 GLN : amide:sc= -0.381 K(o=-0.38,f=-4.6!) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 605 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.39) USER MOD Single : A 606 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.17) USER MOD Single : A 611 MET CE :methyl 157:sc= -0.876 (180deg=-1.9) USER MOD Single : A 616 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.34) USER MOD Single : A 620 GLN : amide:sc=-0.000606 X(o=-0.00061,f=-0.02) USER MOD Single : A 627 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 632 LYS NZ :NH3+ -171:sc= 1.26 (180deg=0.946) USER MOD Single : A 633 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 551 -44.974 -4.398 -12.126 1.00 0.00 N ATOM 2 CA LYS A 551 -44.964 -5.139 -10.845 1.00 0.00 C ATOM 3 C LYS A 551 -45.195 -4.196 -9.670 1.00 0.00 C ATOM 4 O LYS A 551 -45.049 -4.595 -8.512 1.00 0.00 O ATOM 5 CB LYS A 551 -43.625 -5.861 -10.665 1.00 0.00 C ATOM 6 CG LYS A 551 -42.434 -4.919 -10.565 1.00 0.00 C ATOM 7 CD LYS A 551 -41.118 -5.678 -10.557 1.00 0.00 C ATOM 8 CE LYS A 551 -39.933 -4.743 -10.359 1.00 0.00 C ATOM 9 NZ LYS A 551 -39.909 -3.649 -11.366 1.00 0.00 N ATOM 0 HA LYS A 551 -45.772 -5.870 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 551 -43.670 -6.473 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 551 -43.472 -6.539 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 551 -42.448 -4.224 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 551 -42.516 -4.323 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 551 -41.132 -6.423 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 551 -41.003 -6.218 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 551 -39.974 -4.313 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 551 -39.007 -5.314 -10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 -39.019 -3.118 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 -39.980 -4.055 -12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 -40.711 -3.008 -11.201 1.00 0.00 H new ATOM 23 N ALA A 552 -45.569 -2.952 -9.987 1.00 0.00 N ATOM 24 CA ALA A 552 -45.721 -1.888 -8.997 1.00 0.00 C ATOM 25 C ALA A 552 -44.378 -1.518 -8.383 1.00 0.00 C ATOM 26 O ALA A 552 -43.834 -2.252 -7.557 1.00 0.00 O ATOM 27 CB ALA A 552 -46.721 -2.281 -7.921 1.00 0.00 C ATOM 0 H ALA A 552 -45.775 -2.657 -10.941 1.00 0.00 H new ATOM 0 HA ALA A 552 -46.110 -1.008 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 552 -46.814 -1.471 -7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 552 -47.692 -2.472 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 552 -46.375 -3.182 -7.414 1.00 0.00 H new ATOM 33 N GLU A 553 -43.847 -0.372 -8.787 1.00 0.00 N ATOM 34 CA GLU A 553 -42.553 0.088 -8.297 1.00 0.00 C ATOM 35 C GLU A 553 -42.702 0.685 -6.901 1.00 0.00 C ATOM 36 O GLU A 553 -42.427 1.865 -6.678 1.00 0.00 O ATOM 37 CB GLU A 553 -41.960 1.129 -9.250 1.00 0.00 C ATOM 38 CG GLU A 553 -41.894 0.679 -10.701 1.00 0.00 C ATOM 39 CD GLU A 553 -41.014 -0.536 -10.914 1.00 0.00 C ATOM 40 OE1 GLU A 553 -41.518 -1.670 -10.775 1.00 0.00 O ATOM 41 OE2 GLU A 553 -39.823 -0.364 -11.248 1.00 0.00 O ATOM 0 H GLU A 553 -44.293 0.258 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 553 -41.878 -0.766 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 553 -42.555 2.040 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 553 -40.955 1.382 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 553 -42.902 0.454 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 553 -41.521 1.501 -11.312 1.00 0.00 H new ATOM 48 N THR A 554 -43.161 -0.133 -5.968 1.00 0.00 N ATOM 49 CA THR A 554 -43.370 0.307 -4.603 1.00 0.00 C ATOM 50 C THR A 554 -42.141 0.022 -3.740 1.00 0.00 C ATOM 51 O THR A 554 -41.682 0.890 -2.994 1.00 0.00 O ATOM 52 CB THR A 554 -44.630 -0.350 -3.987 1.00 0.00 C ATOM 53 OG1 THR A 554 -44.732 -0.030 -2.594 1.00 0.00 O ATOM 54 CG2 THR A 554 -44.618 -1.861 -4.164 1.00 0.00 C ATOM 0 H THR A 554 -43.397 -1.111 -6.135 1.00 0.00 H new ATOM 0 HA THR A 554 -43.529 1.385 -4.627 1.00 0.00 H new ATOM 0 HB THR A 554 -45.496 0.049 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 554 -45.534 -0.451 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 554 -45.518 -2.287 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 554 -44.589 -2.103 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 554 -43.739 -2.278 -3.673 1.00 0.00 H new ATOM 62 N VAL A 555 -41.589 -1.179 -3.857 1.00 0.00 N ATOM 63 CA VAL A 555 -40.434 -1.554 -3.058 1.00 0.00 C ATOM 64 C VAL A 555 -39.167 -1.480 -3.890 1.00 0.00 C ATOM 65 O VAL A 555 -39.192 -1.682 -5.106 1.00 0.00 O ATOM 66 CB VAL A 555 -40.565 -2.970 -2.454 1.00 0.00 C ATOM 67 CG1 VAL A 555 -41.801 -3.067 -1.574 1.00 0.00 C ATOM 68 CG2 VAL A 555 -40.581 -4.035 -3.541 1.00 0.00 C ATOM 0 H VAL A 555 -41.921 -1.904 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 555 -40.382 -0.843 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 555 -39.690 -3.151 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 555 -41.874 -4.072 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 555 -41.727 -2.344 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 555 -42.689 -2.855 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 555 -40.674 -5.020 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 555 -41.427 -3.863 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 555 -39.654 -3.986 -4.112 1.00 0.00 H new ATOM 78 N LYS A 556 -38.069 -1.171 -3.231 1.00 0.00 N ATOM 79 CA LYS A 556 -36.786 -1.059 -3.902 1.00 0.00 C ATOM 80 C LYS A 556 -35.785 -2.018 -3.274 1.00 0.00 C ATOM 81 O LYS A 556 -34.749 -2.329 -3.859 1.00 0.00 O ATOM 82 CB LYS A 556 -36.293 0.391 -3.841 1.00 0.00 C ATOM 83 CG LYS A 556 -37.283 1.366 -4.462 1.00 0.00 C ATOM 84 CD LYS A 556 -36.910 2.818 -4.215 1.00 0.00 C ATOM 85 CE LYS A 556 -35.671 3.236 -4.987 1.00 0.00 C ATOM 86 NZ LYS A 556 -35.459 4.705 -4.916 1.00 0.00 N ATOM 0 H LYS A 556 -38.038 -0.992 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 556 -36.896 -1.333 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 556 -36.117 0.669 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 556 -35.337 0.469 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 556 -37.338 1.187 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 556 -38.277 1.176 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 556 -37.745 3.458 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 556 -36.740 2.970 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 556 -34.799 2.721 -4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 556 -35.769 2.931 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 -34.605 4.959 -5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 -36.282 5.195 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 -35.341 4.991 -3.923 1.00 0.00 H new ATOM 100 N ARG A 557 -36.135 -2.481 -2.069 1.00 0.00 N ATOM 101 CA ARG A 557 -35.402 -3.532 -1.359 1.00 0.00 C ATOM 102 C ARG A 557 -33.914 -3.211 -1.202 1.00 0.00 C ATOM 103 O ARG A 557 -33.081 -4.113 -1.107 1.00 0.00 O ATOM 104 CB ARG A 557 -35.572 -4.878 -2.068 1.00 0.00 C ATOM 105 CG ARG A 557 -36.997 -5.397 -2.048 1.00 0.00 C ATOM 106 CD ARG A 557 -37.093 -6.778 -2.673 1.00 0.00 C ATOM 107 NE ARG A 557 -38.451 -7.310 -2.623 1.00 0.00 N ATOM 108 CZ ARG A 557 -38.782 -8.546 -2.991 1.00 0.00 C ATOM 109 NH1 ARG A 557 -37.856 -9.397 -3.414 1.00 0.00 N ATOM 110 NH2 ARG A 557 -40.045 -8.932 -2.920 1.00 0.00 N ATOM 0 H ARG A 557 -36.944 -2.132 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 557 -35.829 -3.589 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -35.245 -4.778 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -34.919 -5.613 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -37.357 -5.435 -1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -37.645 -4.706 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -36.761 -6.730 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -36.418 -7.458 -2.153 1.00 0.00 H new ATOM 0 HE ARG A 557 -39.193 -6.697 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -36.879 -9.107 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -38.121 -10.342 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -40.758 -8.284 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -40.306 -9.877 -3.200 1.00 0.00 H new ATOM 124 N SER A 558 -33.587 -1.932 -1.134 1.00 0.00 N ATOM 125 CA SER A 558 -32.201 -1.506 -1.096 1.00 0.00 C ATOM 126 C SER A 558 -31.758 -1.278 0.349 1.00 0.00 C ATOM 127 O SER A 558 -31.423 -0.161 0.745 1.00 0.00 O ATOM 128 CB SER A 558 -32.026 -0.232 -1.931 1.00 0.00 C ATOM 129 OG SER A 558 -30.656 0.020 -2.210 1.00 0.00 O ATOM 0 H SER A 558 -34.265 -1.170 -1.104 1.00 0.00 H new ATOM 0 HA SER A 558 -31.573 -2.288 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 558 -32.578 -0.329 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 558 -32.452 0.617 -1.396 1.00 0.00 H new ATOM 0 HG SER A 558 -30.576 0.837 -2.745 1.00 0.00 H new ATOM 135 N SER A 559 -31.767 -2.349 1.135 1.00 0.00 N ATOM 136 CA SER A 559 -31.370 -2.270 2.536 1.00 0.00 C ATOM 137 C SER A 559 -29.868 -2.516 2.689 1.00 0.00 C ATOM 138 O SER A 559 -29.319 -2.407 3.786 1.00 0.00 O ATOM 139 CB SER A 559 -32.163 -3.280 3.375 1.00 0.00 C ATOM 140 OG SER A 559 -31.921 -3.105 4.763 1.00 0.00 O ATOM 0 H SER A 559 -32.044 -3.281 0.826 1.00 0.00 H new ATOM 0 HA SER A 559 -31.592 -1.266 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 559 -33.228 -3.166 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 559 -31.889 -4.293 3.081 1.00 0.00 H new ATOM 0 HG SER A 559 -31.025 -2.730 4.894 1.00 0.00 H new ATOM 146 N SER A 560 -29.212 -2.855 1.590 1.00 0.00 N ATOM 147 CA SER A 560 -27.774 -3.053 1.600 1.00 0.00 C ATOM 148 C SER A 560 -27.088 -1.838 0.988 1.00 0.00 C ATOM 149 O SER A 560 -27.286 -1.526 -0.192 1.00 0.00 O ATOM 150 CB SER A 560 -27.402 -4.329 0.835 1.00 0.00 C ATOM 151 OG SER A 560 -26.006 -4.586 0.901 1.00 0.00 O ATOM 0 H SER A 560 -29.653 -2.998 0.682 1.00 0.00 H new ATOM 0 HA SER A 560 -27.436 -3.169 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 560 -27.949 -5.176 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 560 -27.707 -4.232 -0.207 1.00 0.00 H new ATOM 0 HG SER A 560 -25.714 -4.569 1.836 1.00 0.00 H new ATOM 157 N LYS A 561 -26.301 -1.144 1.797 1.00 0.00 N ATOM 158 CA LYS A 561 -25.623 0.061 1.348 1.00 0.00 C ATOM 159 C LYS A 561 -24.288 -0.290 0.705 1.00 0.00 C ATOM 160 O LYS A 561 -23.222 0.013 1.231 1.00 0.00 O ATOM 161 CB LYS A 561 -25.432 1.029 2.515 1.00 0.00 C ATOM 162 CG LYS A 561 -24.889 2.392 2.101 1.00 0.00 C ATOM 163 CD LYS A 561 -25.033 3.412 3.223 1.00 0.00 C ATOM 164 CE LYS A 561 -26.495 3.614 3.597 1.00 0.00 C ATOM 165 NZ LYS A 561 -26.662 4.555 4.737 1.00 0.00 N ATOM 0 H LYS A 561 -26.117 -1.396 2.768 1.00 0.00 H new ATOM 0 HA LYS A 561 -26.241 0.553 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -26.388 1.167 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -24.751 0.581 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -23.839 2.298 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -25.421 2.744 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -24.474 3.077 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -24.599 4.363 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -27.040 3.994 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -26.938 2.652 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -27.398 4.196 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -25.763 4.638 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -26.943 5.490 4.377 1.00 0.00 H new ATOM 179 N LEU A 562 -24.365 -0.951 -0.433 1.00 0.00 N ATOM 180 CA LEU A 562 -23.184 -1.317 -1.187 1.00 0.00 C ATOM 181 C LEU A 562 -23.489 -1.195 -2.670 1.00 0.00 C ATOM 182 O LEU A 562 -23.744 -2.187 -3.360 1.00 0.00 O ATOM 183 CB LEU A 562 -22.748 -2.739 -0.829 1.00 0.00 C ATOM 184 CG LEU A 562 -21.239 -2.990 -0.785 1.00 0.00 C ATOM 185 CD1 LEU A 562 -20.638 -2.944 -2.174 1.00 0.00 C ATOM 186 CD2 LEU A 562 -20.564 -1.982 0.129 1.00 0.00 C ATOM 0 H LEU A 562 -25.243 -1.248 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 562 -22.362 -0.646 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -23.166 -2.991 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -23.189 -3.425 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 562 -21.070 -3.989 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -19.565 -3.126 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -21.101 -3.710 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -20.815 -1.963 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -19.491 -2.172 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -20.746 -0.974 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -20.970 -2.075 1.136 1.00 0.00 H new ATOM 198 N SER A 563 -23.486 0.040 -3.141 1.00 0.00 N ATOM 199 CA SER A 563 -23.796 0.337 -4.525 1.00 0.00 C ATOM 200 C SER A 563 -22.746 -0.283 -5.444 1.00 0.00 C ATOM 201 O SER A 563 -21.647 -0.595 -4.986 1.00 0.00 O ATOM 202 CB SER A 563 -23.865 1.854 -4.723 1.00 0.00 C ATOM 203 OG SER A 563 -24.481 2.181 -5.953 1.00 0.00 O ATOM 0 H SER A 563 -23.269 0.861 -2.576 1.00 0.00 H new ATOM 0 HA SER A 563 -24.765 -0.093 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 563 -24.423 2.306 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.859 2.273 -4.694 1.00 0.00 H new ATOM 0 HG SER A 563 -24.514 3.155 -6.054 1.00 0.00 H new ATOM 209 N TYR A 564 -23.071 -0.468 -6.716 1.00 0.00 N ATOM 210 CA TYR A 564 -22.177 -1.165 -7.638 1.00 0.00 C ATOM 211 C TYR A 564 -20.774 -0.557 -7.640 1.00 0.00 C ATOM 212 O TYR A 564 -19.777 -1.278 -7.724 1.00 0.00 O ATOM 213 CB TYR A 564 -22.744 -1.152 -9.050 1.00 0.00 C ATOM 214 CG TYR A 564 -21.951 -1.996 -10.015 1.00 0.00 C ATOM 215 CD1 TYR A 564 -22.142 -3.368 -10.075 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.005 -1.425 -10.858 1.00 0.00 C ATOM 217 CE1 TYR A 564 -21.416 -4.149 -10.947 1.00 0.00 C ATOM 218 CE2 TYR A 564 -20.275 -2.200 -11.733 1.00 0.00 C ATOM 219 CZ TYR A 564 -20.486 -3.560 -11.775 1.00 0.00 C ATOM 220 OH TYR A 564 -19.762 -4.335 -12.650 1.00 0.00 O ATOM 0 H TYR A 564 -23.944 -0.147 -7.135 1.00 0.00 H new ATOM 0 HA TYR A 564 -22.099 -2.195 -7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.773 -1.510 -9.025 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.773 -0.125 -9.414 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.872 -3.832 -9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.840 -0.358 -10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.575 -5.217 -10.981 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -19.542 -1.744 -12.382 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.150 -3.766 -13.162 1.00 0.00 H new ATOM 230 N LYS A 565 -20.698 0.762 -7.540 1.00 0.00 N ATOM 231 CA LYS A 565 -19.409 1.439 -7.484 1.00 0.00 C ATOM 232 C LYS A 565 -18.542 0.924 -6.332 1.00 0.00 C ATOM 233 O LYS A 565 -17.327 0.806 -6.469 1.00 0.00 O ATOM 234 CB LYS A 565 -19.577 2.954 -7.399 1.00 0.00 C ATOM 235 CG LYS A 565 -20.828 3.407 -6.669 1.00 0.00 C ATOM 236 CD LYS A 565 -20.648 4.800 -6.104 1.00 0.00 C ATOM 237 CE LYS A 565 -20.369 5.818 -7.197 1.00 0.00 C ATOM 238 NZ LYS A 565 -20.096 7.171 -6.646 1.00 0.00 N ATOM 0 H LYS A 565 -21.507 1.382 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.891 1.208 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.706 3.376 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.593 3.363 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.677 3.394 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -21.056 2.710 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.545 5.090 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -19.825 4.799 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.515 5.489 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.224 5.868 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -19.911 7.833 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -20.921 7.498 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.265 7.131 -6.022 1.00 0.00 H new ATOM 252 N LEU A 566 -19.169 0.583 -5.212 1.00 0.00 N ATOM 253 CA LEU A 566 -18.439 0.020 -4.084 1.00 0.00 C ATOM 254 C LEU A 566 -18.216 -1.458 -4.323 1.00 0.00 C ATOM 255 O LEU A 566 -17.255 -2.038 -3.832 1.00 0.00 O ATOM 256 CB LEU A 566 -19.184 0.202 -2.755 1.00 0.00 C ATOM 257 CG LEU A 566 -19.496 1.636 -2.339 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.689 2.158 -3.108 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.761 1.697 -0.850 1.00 0.00 C ATOM 0 H LEU A 566 -20.173 0.686 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.491 0.552 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.123 -0.348 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.591 -0.261 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.636 2.264 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.900 3.182 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.471 2.137 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.557 1.531 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.983 2.725 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.611 1.060 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.880 1.351 -0.309 1.00 0.00 H new ATOM 271 N GLN A 567 -19.121 -2.060 -5.082 1.00 0.00 N ATOM 272 CA GLN A 567 -19.010 -3.465 -5.438 1.00 0.00 C ATOM 273 C GLN A 567 -17.734 -3.714 -6.228 1.00 0.00 C ATOM 274 O GLN A 567 -17.069 -4.726 -6.039 1.00 0.00 O ATOM 275 CB GLN A 567 -20.241 -3.919 -6.231 1.00 0.00 C ATOM 276 CG GLN A 567 -21.502 -3.999 -5.387 1.00 0.00 C ATOM 277 CD GLN A 567 -22.709 -4.468 -6.174 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.579 -5.215 -7.142 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.891 -4.037 -5.760 1.00 0.00 N ATOM 0 H GLN A 567 -19.944 -1.593 -5.464 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.963 -4.052 -4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.408 -3.228 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.042 -4.897 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.332 -4.679 -4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.711 -3.018 -4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.954 -3.418 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.739 -4.324 -6.249 1.00 0.00 H new ATOM 288 N ARG A 568 -17.396 -2.792 -7.119 1.00 0.00 N ATOM 289 CA ARG A 568 -16.153 -2.903 -7.872 1.00 0.00 C ATOM 290 C ARG A 568 -14.972 -2.332 -7.106 1.00 0.00 C ATOM 291 O ARG A 568 -13.839 -2.777 -7.287 1.00 0.00 O ATOM 292 CB ARG A 568 -16.282 -2.267 -9.252 1.00 0.00 C ATOM 293 CG ARG A 568 -16.591 -3.302 -10.313 1.00 0.00 C ATOM 294 CD ARG A 568 -17.776 -4.155 -9.893 1.00 0.00 C ATOM 295 NE ARG A 568 -17.874 -5.396 -10.657 1.00 0.00 N ATOM 296 CZ ARG A 568 -18.138 -6.583 -10.109 1.00 0.00 C ATOM 297 NH1 ARG A 568 -18.265 -6.698 -8.794 1.00 0.00 N ATOM 298 NH2 ARG A 568 -18.265 -7.660 -10.872 1.00 0.00 N ATOM 0 H ARG A 568 -17.957 -1.968 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.957 -3.966 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -17.071 -1.515 -9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -15.355 -1.751 -9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -16.808 -2.808 -11.260 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.719 -3.935 -10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.691 -4.391 -8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -18.694 -3.582 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 568 -17.733 -5.352 -11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -18.161 -5.877 -8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -18.467 -7.607 -8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -18.161 -7.583 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -18.467 -8.565 -10.447 1.00 0.00 H new ATOM 312 N GLU A 569 -15.238 -1.361 -6.243 1.00 0.00 N ATOM 313 CA GLU A 569 -14.214 -0.847 -5.348 1.00 0.00 C ATOM 314 C GLU A 569 -13.705 -1.995 -4.480 1.00 0.00 C ATOM 315 O GLU A 569 -12.510 -2.258 -4.403 1.00 0.00 O ATOM 316 CB GLU A 569 -14.792 0.270 -4.468 1.00 0.00 C ATOM 317 CG GLU A 569 -13.749 1.025 -3.660 1.00 0.00 C ATOM 318 CD GLU A 569 -12.802 1.820 -4.531 1.00 0.00 C ATOM 319 OE1 GLU A 569 -13.237 2.840 -5.104 1.00 0.00 O ATOM 320 OE2 GLU A 569 -11.622 1.440 -4.640 1.00 0.00 O ATOM 0 H GLU A 569 -16.150 -0.916 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.390 -0.431 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.327 0.977 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.523 -0.162 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.251 1.699 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -13.177 0.317 -3.060 1.00 0.00 H new ATOM 327 N LEU A 570 -14.653 -2.703 -3.883 1.00 0.00 N ATOM 328 CA LEU A 570 -14.378 -3.831 -3.001 1.00 0.00 C ATOM 329 C LEU A 570 -13.857 -5.035 -3.798 1.00 0.00 C ATOM 330 O LEU A 570 -13.251 -5.948 -3.246 1.00 0.00 O ATOM 331 CB LEU A 570 -15.676 -4.198 -2.267 1.00 0.00 C ATOM 332 CG LEU A 570 -15.523 -4.689 -0.824 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.882 -4.771 -0.147 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.848 -6.046 -0.777 1.00 0.00 C ATOM 0 H LEU A 570 -15.648 -2.509 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.606 -3.554 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.326 -3.323 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.186 -4.972 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.897 -3.972 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.758 -5.121 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.345 -3.784 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.519 -5.466 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.753 -6.369 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.447 -6.770 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.858 -5.976 -1.228 1.00 0.00 H new ATOM 346 N GLU A 571 -14.100 -5.032 -5.098 1.00 0.00 N ATOM 347 CA GLU A 571 -13.708 -6.135 -5.957 1.00 0.00 C ATOM 348 C GLU A 571 -12.211 -6.100 -6.248 1.00 0.00 C ATOM 349 O GLU A 571 -11.523 -7.114 -6.130 1.00 0.00 O ATOM 350 CB GLU A 571 -14.559 -6.071 -7.235 1.00 0.00 C ATOM 351 CG GLU A 571 -13.811 -6.284 -8.536 1.00 0.00 C ATOM 352 CD GLU A 571 -13.499 -7.738 -8.825 1.00 0.00 C ATOM 353 OE1 GLU A 571 -14.438 -8.558 -8.857 1.00 0.00 O ATOM 354 OE2 GLU A 571 -12.314 -8.056 -9.055 1.00 0.00 O ATOM 0 H GLU A 571 -14.572 -4.270 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.890 -7.087 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -15.346 -6.822 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -15.049 -5.098 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -14.403 -5.878 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -12.879 -5.720 -8.506 1.00 0.00 H new ATOM 361 N GLN A 572 -11.695 -4.930 -6.582 1.00 0.00 N ATOM 362 CA GLN A 572 -10.299 -4.819 -6.982 1.00 0.00 C ATOM 363 C GLN A 572 -9.406 -4.544 -5.776 1.00 0.00 C ATOM 364 O GLN A 572 -8.202 -4.805 -5.799 1.00 0.00 O ATOM 365 CB GLN A 572 -10.133 -3.695 -8.002 1.00 0.00 C ATOM 366 CG GLN A 572 -11.219 -3.668 -9.066 1.00 0.00 C ATOM 367 CD GLN A 572 -11.054 -2.517 -10.035 1.00 0.00 C ATOM 368 OE1 GLN A 572 -11.439 -2.612 -11.197 1.00 0.00 O ATOM 369 NE2 GLN A 572 -10.491 -1.414 -9.563 1.00 0.00 N ATOM 0 H GLN A 572 -12.213 -4.051 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 572 -10.001 -5.767 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.127 -2.739 -7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -9.163 -3.798 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.206 -4.608 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -12.194 -3.595 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -10.184 -1.374 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -10.365 -0.605 -10.172 1.00 0.00 H new ATOM 378 N LEU A 573 -10.024 -4.036 -4.725 1.00 0.00 N ATOM 379 CA LEU A 573 -9.323 -3.559 -3.537 1.00 0.00 C ATOM 380 C LEU A 573 -8.458 -4.657 -2.887 1.00 0.00 C ATOM 381 O LEU A 573 -7.301 -4.401 -2.580 1.00 0.00 O ATOM 382 CB LEU A 573 -10.356 -3.021 -2.542 1.00 0.00 C ATOM 383 CG LEU A 573 -9.914 -1.832 -1.692 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.079 -1.320 -0.873 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.749 -2.191 -0.795 1.00 0.00 C ATOM 0 H LEU A 573 -11.038 -3.940 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.638 -2.765 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.249 -2.733 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.644 -3.833 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.577 -1.043 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.755 -0.472 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.882 -1.005 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.441 -2.113 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.462 -1.320 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.040 -3.002 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.904 -2.510 -1.406 1.00 0.00 H new ATOM 397 N PRO A 574 -8.977 -5.887 -2.654 1.00 0.00 N ATOM 398 CA PRO A 574 -8.180 -6.963 -2.046 1.00 0.00 C ATOM 399 C PRO A 574 -6.887 -7.241 -2.814 1.00 0.00 C ATOM 400 O PRO A 574 -5.835 -7.463 -2.211 1.00 0.00 O ATOM 401 CB PRO A 574 -9.106 -8.177 -2.098 1.00 0.00 C ATOM 402 CG PRO A 574 -10.477 -7.605 -2.143 1.00 0.00 C ATOM 403 CD PRO A 574 -10.358 -6.329 -2.924 1.00 0.00 C ATOM 0 HA PRO A 574 -7.859 -6.703 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.904 -8.791 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.972 -8.815 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.173 -8.294 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.856 -7.416 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.526 -6.493 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.088 -5.588 -2.596 1.00 0.00 H new ATOM 411 N GLN A 575 -6.962 -7.197 -4.143 1.00 0.00 N ATOM 412 CA GLN A 575 -5.781 -7.415 -4.976 1.00 0.00 C ATOM 413 C GLN A 575 -4.845 -6.221 -4.893 1.00 0.00 C ATOM 414 O GLN A 575 -3.643 -6.335 -5.126 1.00 0.00 O ATOM 415 CB GLN A 575 -6.161 -7.681 -6.435 1.00 0.00 C ATOM 416 CG GLN A 575 -6.347 -9.157 -6.751 1.00 0.00 C ATOM 417 CD GLN A 575 -7.781 -9.531 -7.076 1.00 0.00 C ATOM 418 OE1 GLN A 575 -8.027 -10.452 -7.850 1.00 0.00 O ATOM 419 NE2 GLN A 575 -8.738 -8.818 -6.502 1.00 0.00 N ATOM 0 H GLN A 575 -7.820 -7.014 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.270 -8.299 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -7.084 -7.149 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.387 -7.273 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -5.711 -9.423 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -6.010 -9.748 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -8.496 -8.060 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.717 -9.027 -6.698 1.00 0.00 H new ATOM 428 N LEU A 576 -5.407 -5.077 -4.557 1.00 0.00 N ATOM 429 CA LEU A 576 -4.629 -3.872 -4.363 1.00 0.00 C ATOM 430 C LEU A 576 -3.947 -3.894 -2.992 1.00 0.00 C ATOM 431 O LEU A 576 -2.830 -3.404 -2.839 1.00 0.00 O ATOM 432 CB LEU A 576 -5.526 -2.645 -4.510 1.00 0.00 C ATOM 433 CG LEU A 576 -4.880 -1.332 -4.103 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.769 -0.951 -5.071 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.918 -0.228 -4.012 1.00 0.00 C ATOM 0 H LEU A 576 -6.410 -4.958 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.851 -3.822 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.847 -2.569 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.423 -2.794 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.437 -1.464 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.322 -0.007 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.007 -1.730 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.182 -0.842 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.434 0.704 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.397 -0.098 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.669 -0.495 -3.269 1.00 0.00 H new ATOM 447 N LEU A 577 -4.619 -4.473 -2.000 1.00 0.00 N ATOM 448 CA LEU A 577 -4.011 -4.685 -0.689 1.00 0.00 C ATOM 449 C LEU A 577 -2.779 -5.551 -0.803 1.00 0.00 C ATOM 450 O LEU A 577 -1.714 -5.184 -0.323 1.00 0.00 O ATOM 451 CB LEU A 577 -4.996 -5.331 0.291 1.00 0.00 C ATOM 452 CG LEU A 577 -5.819 -4.376 1.161 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.515 -2.909 0.852 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.307 -4.676 1.028 1.00 0.00 C ATOM 0 H LEU A 577 -5.581 -4.803 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.730 -3.705 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.686 -5.954 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.436 -5.996 0.949 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.528 -4.544 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.122 -2.269 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.459 -2.710 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.747 -2.701 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.874 -3.987 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.611 -4.556 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.502 -5.700 1.347 1.00 0.00 H new ATOM 466 N GLU A 578 -2.914 -6.693 -1.452 1.00 0.00 N ATOM 467 CA GLU A 578 -1.778 -7.582 -1.627 1.00 0.00 C ATOM 468 C GLU A 578 -0.746 -6.955 -2.568 1.00 0.00 C ATOM 469 O GLU A 578 0.421 -7.350 -2.570 1.00 0.00 O ATOM 470 CB GLU A 578 -2.219 -8.957 -2.136 1.00 0.00 C ATOM 471 CG GLU A 578 -2.974 -8.915 -3.450 1.00 0.00 C ATOM 472 CD GLU A 578 -3.393 -10.289 -3.925 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.465 -10.766 -3.508 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.649 -10.901 -4.716 1.00 0.00 O ATOM 0 H GLU A 578 -3.787 -7.025 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.312 -7.727 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.339 -9.589 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.849 -9.427 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.859 -8.289 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.348 -8.447 -4.210 1.00 0.00 H new ATOM 481 N ASP A 579 -1.178 -5.967 -3.352 1.00 0.00 N ATOM 482 CA ASP A 579 -0.265 -5.221 -4.212 1.00 0.00 C ATOM 483 C ASP A 579 0.624 -4.345 -3.357 1.00 0.00 C ATOM 484 O ASP A 579 1.842 -4.451 -3.396 1.00 0.00 O ATOM 485 CB ASP A 579 -1.015 -4.309 -5.179 1.00 0.00 C ATOM 486 CG ASP A 579 -0.229 -4.049 -6.448 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.315 -4.864 -7.389 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.482 -3.024 -6.513 1.00 0.00 O ATOM 0 H ASP A 579 -2.151 -5.667 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 579 0.314 -5.948 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.973 -4.762 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.232 -3.361 -4.687 1.00 0.00 H new ATOM 493 N LEU A 580 -0.019 -3.489 -2.575 1.00 0.00 N ATOM 494 CA LEU A 580 0.671 -2.533 -1.723 1.00 0.00 C ATOM 495 C LEU A 580 1.437 -3.249 -0.621 1.00 0.00 C ATOM 496 O LEU A 580 2.474 -2.777 -0.168 1.00 0.00 O ATOM 497 CB LEU A 580 -0.342 -1.565 -1.119 1.00 0.00 C ATOM 498 CG LEU A 580 -1.213 -0.838 -2.143 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.318 -0.064 -1.451 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.362 0.087 -3.000 1.00 0.00 C ATOM 0 H LEU A 580 -1.036 -3.439 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 580 1.388 -1.976 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.989 -2.116 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.192 -0.824 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.676 -1.580 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.927 0.447 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.943 -0.752 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.880 0.671 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.996 0.598 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.128 0.824 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.393 -0.497 -3.527 1.00 0.00 H new ATOM 512 N GLU A 581 0.910 -4.389 -0.199 1.00 0.00 N ATOM 513 CA GLU A 581 1.587 -5.245 0.763 1.00 0.00 C ATOM 514 C GLU A 581 2.933 -5.682 0.209 1.00 0.00 C ATOM 515 O GLU A 581 3.981 -5.400 0.788 1.00 0.00 O ATOM 516 CB GLU A 581 0.734 -6.478 1.052 1.00 0.00 C ATOM 517 CG GLU A 581 1.362 -7.435 2.045 1.00 0.00 C ATOM 518 CD GLU A 581 0.620 -8.748 2.125 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.787 -9.586 1.217 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.135 -8.953 3.096 1.00 0.00 O ATOM 0 H GLU A 581 0.007 -4.745 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 581 1.740 -4.686 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.235 -6.157 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.549 -7.008 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.397 -7.622 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.381 -6.971 3.031 1.00 0.00 H new ATOM 527 N ALA A 582 2.884 -6.353 -0.934 1.00 0.00 N ATOM 528 CA ALA A 582 4.083 -6.836 -1.603 1.00 0.00 C ATOM 529 C ALA A 582 4.965 -5.674 -2.036 1.00 0.00 C ATOM 530 O ALA A 582 6.183 -5.806 -2.122 1.00 0.00 O ATOM 531 CB ALA A 582 3.702 -7.695 -2.797 1.00 0.00 C ATOM 0 H ALA A 582 2.016 -6.577 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 582 4.652 -7.445 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.605 -8.052 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.113 -8.547 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.114 -7.103 -3.498 1.00 0.00 H new ATOM 537 N LYS A 583 4.335 -4.536 -2.295 1.00 0.00 N ATOM 538 CA LYS A 583 5.046 -3.325 -2.667 1.00 0.00 C ATOM 539 C LYS A 583 5.869 -2.839 -1.483 1.00 0.00 C ATOM 540 O LYS A 583 7.050 -2.518 -1.617 1.00 0.00 O ATOM 541 CB LYS A 583 4.055 -2.244 -3.105 1.00 0.00 C ATOM 542 CG LYS A 583 4.726 -0.955 -3.542 1.00 0.00 C ATOM 543 CD LYS A 583 3.715 0.126 -3.875 1.00 0.00 C ATOM 544 CE LYS A 583 4.410 1.441 -4.190 1.00 0.00 C ATOM 545 NZ LYS A 583 3.447 2.510 -4.553 1.00 0.00 N ATOM 0 H LYS A 583 3.322 -4.429 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 583 5.712 -3.540 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.450 -2.627 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.374 -2.030 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.386 -0.603 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.351 -1.149 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.112 -0.185 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.033 0.263 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.994 1.758 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.111 1.292 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 3.965 3.388 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.907 2.220 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.793 2.672 -3.761 1.00 0.00 H new ATOM 559 N LEU A 584 5.235 -2.814 -0.320 1.00 0.00 N ATOM 560 CA LEU A 584 5.905 -2.433 0.908 1.00 0.00 C ATOM 561 C LEU A 584 7.019 -3.427 1.213 1.00 0.00 C ATOM 562 O LEU A 584 8.143 -3.029 1.485 1.00 0.00 O ATOM 563 CB LEU A 584 4.889 -2.358 2.062 1.00 0.00 C ATOM 564 CG LEU A 584 5.424 -1.846 3.410 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.089 -2.965 4.197 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.390 -0.689 3.196 1.00 0.00 C ATOM 0 H LEU A 584 4.251 -3.055 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 584 6.351 -1.445 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.067 -1.712 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.472 -3.353 2.215 1.00 0.00 H new ATOM 0 HG LEU A 584 4.578 -1.485 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.458 -2.574 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.364 -3.756 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.923 -3.368 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.758 -0.340 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.229 -1.024 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.875 0.126 2.688 1.00 0.00 H new ATOM 578 N GLU A 585 6.700 -4.715 1.142 1.00 0.00 N ATOM 579 CA GLU A 585 7.688 -5.769 1.370 1.00 0.00 C ATOM 580 C GLU A 585 8.889 -5.607 0.441 1.00 0.00 C ATOM 581 O GLU A 585 10.038 -5.786 0.856 1.00 0.00 O ATOM 582 CB GLU A 585 7.055 -7.145 1.155 1.00 0.00 C ATOM 583 CG GLU A 585 5.969 -7.484 2.161 1.00 0.00 C ATOM 584 CD GLU A 585 6.494 -7.571 3.578 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.079 -8.615 3.936 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.329 -6.601 4.345 1.00 0.00 O ATOM 0 H GLU A 585 5.763 -5.057 0.928 1.00 0.00 H new ATOM 0 HA GLU A 585 8.033 -5.686 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.633 -7.188 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.835 -7.905 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.186 -6.727 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.510 -8.435 1.888 1.00 0.00 H new ATOM 593 N ALA A 586 8.613 -5.256 -0.809 1.00 0.00 N ATOM 594 CA ALA A 586 9.652 -5.077 -1.812 1.00 0.00 C ATOM 595 C ALA A 586 10.551 -3.902 -1.462 1.00 0.00 C ATOM 596 O ALA A 586 11.772 -4.033 -1.380 1.00 0.00 O ATOM 597 CB ALA A 586 9.018 -4.867 -3.180 1.00 0.00 C ATOM 0 H ALA A 586 7.668 -5.089 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 586 10.267 -5.976 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.800 -4.734 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.414 -5.737 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.385 -3.980 -3.155 1.00 0.00 H new ATOM 603 N LEU A 587 9.935 -2.755 -1.235 1.00 0.00 N ATOM 604 CA LEU A 587 10.670 -1.540 -0.922 1.00 0.00 C ATOM 605 C LEU A 587 11.374 -1.662 0.425 1.00 0.00 C ATOM 606 O LEU A 587 12.492 -1.187 0.598 1.00 0.00 O ATOM 607 CB LEU A 587 9.712 -0.347 -0.926 1.00 0.00 C ATOM 608 CG LEU A 587 8.996 -0.113 -2.259 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.902 0.927 -2.104 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.990 0.310 -3.329 1.00 0.00 C ATOM 0 H LEU A 587 8.922 -2.639 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 587 11.435 -1.385 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.964 -0.495 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.270 0.552 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 587 8.533 -1.050 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.406 1.079 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.174 0.583 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.339 1.868 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.464 0.472 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.482 1.234 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.737 -0.472 -3.461 1.00 0.00 H new ATOM 622 N GLN A 588 10.728 -2.342 1.361 1.00 0.00 N ATOM 623 CA GLN A 588 11.265 -2.514 2.704 1.00 0.00 C ATOM 624 C GLN A 588 12.542 -3.337 2.695 1.00 0.00 C ATOM 625 O GLN A 588 13.418 -3.129 3.523 1.00 0.00 O ATOM 626 CB GLN A 588 10.229 -3.182 3.608 1.00 0.00 C ATOM 627 CG GLN A 588 9.486 -2.217 4.514 1.00 0.00 C ATOM 628 CD GLN A 588 10.334 -1.756 5.683 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.217 -2.475 6.146 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.064 -0.560 6.178 1.00 0.00 N ATOM 0 H GLN A 588 9.823 -2.788 1.213 1.00 0.00 H new ATOM 0 HA GLN A 588 11.502 -1.523 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.506 -3.710 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.728 -3.931 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.168 -1.350 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.583 -2.698 4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 588 9.323 0.007 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 588 10.597 -0.205 6.972 1.00 0.00 H new ATOM 639 N THR A 589 12.661 -4.262 1.752 1.00 0.00 N ATOM 640 CA THR A 589 13.795 -5.170 1.750 1.00 0.00 C ATOM 641 C THR A 589 15.021 -4.533 1.095 1.00 0.00 C ATOM 642 O THR A 589 16.155 -4.903 1.403 1.00 0.00 O ATOM 643 CB THR A 589 13.447 -6.516 1.071 1.00 0.00 C ATOM 644 OG1 THR A 589 14.365 -7.529 1.499 1.00 0.00 O ATOM 645 CG2 THR A 589 13.485 -6.419 -0.447 1.00 0.00 C ATOM 0 H THR A 589 11.997 -4.401 0.991 1.00 0.00 H new ATOM 0 HA THR A 589 14.040 -5.377 2.792 1.00 0.00 H new ATOM 0 HB THR A 589 12.431 -6.775 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 589 14.139 -8.379 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.234 -7.387 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.763 -5.674 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.485 -6.126 -0.768 1.00 0.00 H new ATOM 653 N GLN A 590 14.804 -3.562 0.211 1.00 0.00 N ATOM 654 CA GLN A 590 15.923 -2.850 -0.390 1.00 0.00 C ATOM 655 C GLN A 590 16.359 -1.714 0.529 1.00 0.00 C ATOM 656 O GLN A 590 17.501 -1.264 0.481 1.00 0.00 O ATOM 657 CB GLN A 590 15.573 -2.336 -1.788 1.00 0.00 C ATOM 658 CG GLN A 590 14.456 -1.311 -1.828 1.00 0.00 C ATOM 659 CD GLN A 590 14.131 -0.881 -3.244 1.00 0.00 C ATOM 660 OE1 GLN A 590 13.269 -1.463 -3.903 1.00 0.00 O ATOM 661 NE2 GLN A 590 14.841 0.121 -3.733 1.00 0.00 N ATOM 0 H GLN A 590 13.882 -3.256 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 590 16.756 -3.543 -0.509 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.466 -1.897 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.291 -3.184 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.564 -1.729 -1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.743 -0.439 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 590 15.546 0.577 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 590 14.684 0.438 -4.690 1.00 0.00 H new ATOM 670 N VAL A 591 15.432 -1.269 1.369 1.00 0.00 N ATOM 671 CA VAL A 591 15.737 -0.319 2.435 1.00 0.00 C ATOM 672 C VAL A 591 16.364 -1.063 3.613 1.00 0.00 C ATOM 673 O VAL A 591 17.126 -0.495 4.395 1.00 0.00 O ATOM 674 CB VAL A 591 14.457 0.424 2.896 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.722 1.323 4.093 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.876 1.240 1.756 1.00 0.00 C ATOM 0 H VAL A 591 14.453 -1.554 1.332 1.00 0.00 H new ATOM 0 HA VAL A 591 16.440 0.422 2.054 1.00 0.00 H new ATOM 0 HB VAL A 591 13.736 -0.335 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.799 1.824 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.086 0.722 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.472 2.068 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.978 1.755 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.610 1.974 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.622 0.579 0.928 1.00 0.00 H new ATOM 686 N ALA A 592 16.054 -2.355 3.707 1.00 0.00 N ATOM 687 CA ALA A 592 16.591 -3.214 4.756 1.00 0.00 C ATOM 688 C ALA A 592 18.095 -3.377 4.602 1.00 0.00 C ATOM 689 O ALA A 592 18.804 -3.669 5.566 1.00 0.00 O ATOM 690 CB ALA A 592 15.913 -4.577 4.727 1.00 0.00 C ATOM 0 H ALA A 592 15.426 -2.832 3.060 1.00 0.00 H new ATOM 0 HA ALA A 592 16.390 -2.741 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.326 -5.205 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.841 -4.454 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.086 -5.049 3.760 1.00 0.00 H new ATOM 696 N ASP A 593 18.569 -3.184 3.380 1.00 0.00 N ATOM 697 CA ASP A 593 19.991 -3.238 3.093 1.00 0.00 C ATOM 698 C ASP A 593 20.680 -2.001 3.652 1.00 0.00 C ATOM 699 O ASP A 593 20.272 -0.873 3.379 1.00 0.00 O ATOM 700 CB ASP A 593 20.226 -3.347 1.586 1.00 0.00 C ATOM 701 CG ASP A 593 21.695 -3.327 1.229 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.378 -4.354 1.426 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.180 -2.285 0.756 1.00 0.00 O ATOM 0 H ASP A 593 17.984 -2.988 2.568 1.00 0.00 H new ATOM 0 HA ASP A 593 20.415 -4.122 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.778 -4.269 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.721 -2.523 1.082 1.00 0.00 H new ATOM 708 N ALA A 594 21.722 -2.218 4.441 1.00 0.00 N ATOM 709 CA ALA A 594 22.402 -1.131 5.135 1.00 0.00 C ATOM 710 C ALA A 594 23.154 -0.223 4.167 1.00 0.00 C ATOM 711 O ALA A 594 23.482 0.916 4.499 1.00 0.00 O ATOM 712 CB ALA A 594 23.348 -1.692 6.184 1.00 0.00 C ATOM 0 H ALA A 594 22.118 -3.141 4.618 1.00 0.00 H new ATOM 0 HA ALA A 594 21.643 -0.523 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.851 -0.872 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.782 -2.279 6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.090 -2.328 5.702 1.00 0.00 H new ATOM 718 N SER A 595 23.413 -0.722 2.967 1.00 0.00 N ATOM 719 CA SER A 595 24.124 0.048 1.960 1.00 0.00 C ATOM 720 C SER A 595 23.154 0.939 1.189 1.00 0.00 C ATOM 721 O SER A 595 23.576 1.807 0.423 1.00 0.00 O ATOM 722 CB SER A 595 24.866 -0.890 1.000 1.00 0.00 C ATOM 723 OG SER A 595 25.565 -0.168 -0.002 1.00 0.00 O ATOM 0 H SER A 595 23.140 -1.658 2.668 1.00 0.00 H new ATOM 0 HA SER A 595 24.855 0.684 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 595 25.568 -1.505 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.154 -1.568 0.530 1.00 0.00 H new ATOM 0 HG SER A 595 25.208 0.743 -0.058 1.00 0.00 H new ATOM 729 N PHE A 596 21.858 0.724 1.401 1.00 0.00 N ATOM 730 CA PHE A 596 20.824 1.507 0.735 1.00 0.00 C ATOM 731 C PHE A 596 20.999 3.001 0.995 1.00 0.00 C ATOM 732 O PHE A 596 21.060 3.793 0.063 1.00 0.00 O ATOM 733 CB PHE A 596 19.434 1.059 1.191 1.00 0.00 C ATOM 734 CG PHE A 596 18.345 2.032 0.846 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.941 2.209 -0.465 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.735 2.781 1.839 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.949 3.116 -0.779 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.742 3.687 1.531 1.00 0.00 C ATOM 739 CZ PHE A 596 16.350 3.856 0.222 1.00 0.00 C ATOM 0 H PHE A 596 21.499 0.009 2.033 1.00 0.00 H new ATOM 0 HA PHE A 596 20.922 1.335 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.205 0.095 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.446 0.908 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.406 1.632 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.041 2.654 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.642 3.247 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.273 4.263 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.574 4.567 -0.022 1.00 0.00 H new ATOM 749 N PHE A 597 21.092 3.376 2.264 1.00 0.00 N ATOM 750 CA PHE A 597 21.209 4.786 2.643 1.00 0.00 C ATOM 751 C PHE A 597 22.519 5.412 2.155 1.00 0.00 C ATOM 752 O PHE A 597 22.706 6.627 2.254 1.00 0.00 O ATOM 753 CB PHE A 597 21.094 4.939 4.158 1.00 0.00 C ATOM 754 CG PHE A 597 19.750 4.541 4.702 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.718 5.464 4.766 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.518 3.249 5.147 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.481 5.106 5.263 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.280 2.886 5.645 1.00 0.00 C ATOM 759 CZ PHE A 597 17.261 3.817 5.701 1.00 0.00 C ATOM 0 H PHE A 597 21.089 2.727 3.051 1.00 0.00 H new ATOM 0 HA PHE A 597 20.390 5.317 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.864 4.333 4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.293 5.977 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 597 18.884 6.475 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.312 2.518 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.686 5.835 5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.110 1.877 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.293 3.536 6.088 1.00 0.00 H new ATOM 769 N SER A 598 23.414 4.589 1.619 1.00 0.00 N ATOM 770 CA SER A 598 24.680 5.078 1.091 1.00 0.00 C ATOM 771 C SER A 598 24.482 5.580 -0.340 1.00 0.00 C ATOM 772 O SER A 598 25.356 6.240 -0.911 1.00 0.00 O ATOM 773 CB SER A 598 25.737 3.967 1.144 1.00 0.00 C ATOM 774 OG SER A 598 27.030 4.457 0.826 1.00 0.00 O ATOM 0 H SER A 598 23.285 3.580 1.539 1.00 0.00 H new ATOM 0 HA SER A 598 25.032 5.909 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.750 3.525 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.467 3.174 0.447 1.00 0.00 H new ATOM 0 HG SER A 598 26.948 5.271 0.287 1.00 0.00 H new ATOM 780 N GLN A 599 23.318 5.269 -0.905 1.00 0.00 N ATOM 781 CA GLN A 599 22.949 5.755 -2.226 1.00 0.00 C ATOM 782 C GLN A 599 22.634 7.244 -2.173 1.00 0.00 C ATOM 783 O GLN A 599 22.328 7.783 -1.106 1.00 0.00 O ATOM 784 CB GLN A 599 21.732 4.985 -2.760 1.00 0.00 C ATOM 785 CG GLN A 599 22.029 3.537 -3.101 1.00 0.00 C ATOM 786 CD GLN A 599 20.773 2.717 -3.353 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.744 1.512 -3.100 1.00 0.00 O ATOM 788 NE2 GLN A 599 19.732 3.357 -3.864 1.00 0.00 N ATOM 0 H GLN A 599 22.613 4.679 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 599 23.792 5.594 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.937 5.018 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.356 5.489 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.664 3.501 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.594 3.086 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 599 19.794 4.356 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 599 18.869 2.851 -4.061 1.00 0.00 H new ATOM 797 N PRO A 600 22.742 7.926 -3.321 1.00 0.00 N ATOM 798 CA PRO A 600 22.362 9.334 -3.457 1.00 0.00 C ATOM 799 C PRO A 600 20.973 9.621 -2.886 1.00 0.00 C ATOM 800 O PRO A 600 20.063 8.790 -2.955 1.00 0.00 O ATOM 801 CB PRO A 600 22.364 9.553 -4.969 1.00 0.00 C ATOM 802 CG PRO A 600 23.326 8.551 -5.504 1.00 0.00 C ATOM 803 CD PRO A 600 23.275 7.369 -4.574 1.00 0.00 C ATOM 0 HA PRO A 600 23.038 9.992 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.369 9.408 -5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.672 10.568 -5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.056 8.258 -6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.333 8.966 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.633 6.580 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.263 6.932 -4.428 1.00 0.00 H new ATOM 811 N HIS A 601 20.842 10.823 -2.331 1.00 0.00 N ATOM 812 CA HIS A 601 19.621 11.289 -1.671 1.00 0.00 C ATOM 813 C HIS A 601 18.408 11.153 -2.571 1.00 0.00 C ATOM 814 O HIS A 601 17.334 10.804 -2.108 1.00 0.00 O ATOM 815 CB HIS A 601 19.800 12.756 -1.274 1.00 0.00 C ATOM 816 CG HIS A 601 18.690 13.351 -0.461 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.657 13.306 0.916 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.606 14.068 -0.838 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.606 13.974 1.350 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.951 14.447 0.308 1.00 0.00 N ATOM 0 H HIS A 601 21.593 11.514 -2.326 1.00 0.00 H new ATOM 0 HA HIS A 601 19.451 10.671 -0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.728 12.850 -0.711 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.917 13.347 -2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.311 14.299 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.329 14.111 2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.097 15.004 0.347 1.00 0.00 H new ATOM 829 N GLU A 602 18.580 11.432 -3.852 1.00 0.00 N ATOM 830 CA GLU A 602 17.466 11.388 -4.784 1.00 0.00 C ATOM 831 C GLU A 602 17.044 9.953 -5.093 1.00 0.00 C ATOM 832 O GLU A 602 15.936 9.716 -5.570 1.00 0.00 O ATOM 833 CB GLU A 602 17.819 12.137 -6.058 1.00 0.00 C ATOM 834 CG GLU A 602 18.035 13.622 -5.825 1.00 0.00 C ATOM 835 CD GLU A 602 18.259 14.380 -7.112 1.00 0.00 C ATOM 836 OE1 GLU A 602 17.359 14.356 -7.981 1.00 0.00 O ATOM 837 OE2 GLU A 602 19.343 14.976 -7.275 1.00 0.00 O ATOM 0 H GLU A 602 19.475 11.690 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 602 16.614 11.879 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.723 11.706 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.021 12.000 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.169 14.036 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.894 13.763 -5.169 1.00 0.00 H new ATOM 844 N GLN A 603 17.928 8.998 -4.819 1.00 0.00 N ATOM 845 CA GLN A 603 17.591 7.586 -4.957 1.00 0.00 C ATOM 846 C GLN A 603 16.896 7.127 -3.696 1.00 0.00 C ATOM 847 O GLN A 603 15.785 6.602 -3.720 1.00 0.00 O ATOM 848 CB GLN A 603 18.842 6.722 -5.139 1.00 0.00 C ATOM 849 CG GLN A 603 19.901 7.317 -6.040 1.00 0.00 C ATOM 850 CD GLN A 603 19.488 7.384 -7.498 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.310 7.530 -7.826 1.00 0.00 O ATOM 852 NE2 GLN A 603 20.459 7.261 -8.388 1.00 0.00 N ATOM 0 H GLN A 603 18.881 9.176 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 603 16.954 7.477 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.282 6.535 -4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.542 5.755 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.140 8.322 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.813 6.725 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 603 21.423 7.142 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 603 20.243 7.286 -9.385 1.00 0.00 H new ATOM 861 N THR A 604 17.575 7.362 -2.587 1.00 0.00 N ATOM 862 CA THR A 604 17.135 6.896 -1.298 1.00 0.00 C ATOM 863 C THR A 604 15.812 7.522 -0.893 1.00 0.00 C ATOM 864 O THR A 604 14.905 6.823 -0.461 1.00 0.00 O ATOM 865 CB THR A 604 18.203 7.186 -0.239 1.00 0.00 C ATOM 866 OG1 THR A 604 18.582 8.568 -0.289 1.00 0.00 O ATOM 867 CG2 THR A 604 19.430 6.323 -0.477 1.00 0.00 C ATOM 0 H THR A 604 18.451 7.885 -2.563 1.00 0.00 H new ATOM 0 HA THR A 604 16.982 5.819 -1.371 1.00 0.00 H new ATOM 0 HB THR A 604 17.787 6.957 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.264 8.745 0.392 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.180 6.540 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.151 5.271 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.840 6.538 -1.464 1.00 0.00 H new ATOM 875 N GLN A 605 15.699 8.835 -1.051 1.00 0.00 N ATOM 876 CA GLN A 605 14.458 9.526 -0.741 1.00 0.00 C ATOM 877 C GLN A 605 13.323 9.021 -1.616 1.00 0.00 C ATOM 878 O GLN A 605 12.200 8.890 -1.153 1.00 0.00 O ATOM 879 CB GLN A 605 14.615 11.030 -0.913 1.00 0.00 C ATOM 880 CG GLN A 605 15.361 11.708 0.219 1.00 0.00 C ATOM 881 CD GLN A 605 14.675 11.550 1.564 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.802 12.335 1.924 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.097 10.567 2.335 1.00 0.00 N ATOM 0 H GLN A 605 16.448 9.438 -1.390 1.00 0.00 H new ATOM 0 HA GLN A 605 14.216 9.317 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.140 11.225 -1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.626 11.480 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.368 11.295 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.465 12.769 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 605 15.824 9.934 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.696 10.440 3.264 1.00 0.00 H new ATOM 892 N LYS A 606 13.623 8.737 -2.878 1.00 0.00 N ATOM 893 CA LYS A 606 12.644 8.158 -3.783 1.00 0.00 C ATOM 894 C LYS A 606 12.115 6.858 -3.202 1.00 0.00 C ATOM 895 O LYS A 606 10.911 6.656 -3.109 1.00 0.00 O ATOM 896 CB LYS A 606 13.279 7.916 -5.158 1.00 0.00 C ATOM 897 CG LYS A 606 12.318 7.418 -6.228 1.00 0.00 C ATOM 898 CD LYS A 606 12.169 5.904 -6.189 1.00 0.00 C ATOM 899 CE LYS A 606 11.373 5.375 -7.374 1.00 0.00 C ATOM 900 NZ LYS A 606 9.937 5.763 -7.314 1.00 0.00 N ATOM 0 H LYS A 606 14.539 8.900 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 606 11.811 8.851 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.732 8.846 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.085 7.190 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.343 7.884 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.677 7.723 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.157 5.443 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.675 5.613 -5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.810 5.752 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 606 11.452 4.288 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 9.416 5.283 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 9.540 5.485 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 9.850 6.793 -7.432 1.00 0.00 H new ATOM 914 N VAL A 607 13.032 5.996 -2.793 1.00 0.00 N ATOM 915 CA VAL A 607 12.672 4.690 -2.252 1.00 0.00 C ATOM 916 C VAL A 607 11.999 4.817 -0.886 1.00 0.00 C ATOM 917 O VAL A 607 10.985 4.175 -0.630 1.00 0.00 O ATOM 918 CB VAL A 607 13.905 3.774 -2.133 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.505 2.403 -1.607 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.601 3.648 -3.477 1.00 0.00 C ATOM 0 H VAL A 607 14.036 6.176 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 607 11.965 4.243 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 607 14.601 4.222 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.389 1.771 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 607 13.048 2.510 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.790 1.945 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.470 2.998 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.911 3.222 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.922 4.634 -3.814 1.00 0.00 H new ATOM 930 N LEU A 608 12.563 5.651 -0.020 1.00 0.00 N ATOM 931 CA LEU A 608 12.014 5.875 1.316 1.00 0.00 C ATOM 932 C LEU A 608 10.604 6.444 1.236 1.00 0.00 C ATOM 933 O LEU A 608 9.694 5.968 1.915 1.00 0.00 O ATOM 934 CB LEU A 608 12.921 6.823 2.109 1.00 0.00 C ATOM 935 CG LEU A 608 14.298 6.255 2.449 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.180 7.323 3.070 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.165 5.072 3.391 1.00 0.00 C ATOM 0 H LEU A 608 13.407 6.188 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 608 11.967 4.915 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.053 7.741 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.417 7.096 3.036 1.00 0.00 H new ATOM 0 HG LEU A 608 14.765 5.916 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.156 6.898 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.303 8.147 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.716 7.692 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.155 4.679 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.677 5.393 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.568 4.294 2.916 1.00 0.00 H new ATOM 949 N ALA A 609 10.431 7.450 0.392 1.00 0.00 N ATOM 950 CA ALA A 609 9.135 8.079 0.201 1.00 0.00 C ATOM 951 C ALA A 609 8.166 7.117 -0.477 1.00 0.00 C ATOM 952 O ALA A 609 6.984 7.078 -0.146 1.00 0.00 O ATOM 953 CB ALA A 609 9.287 9.358 -0.612 1.00 0.00 C ATOM 0 H ALA A 609 11.179 7.850 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 609 8.725 8.337 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.310 9.821 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.945 10.049 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.716 9.121 -1.586 1.00 0.00 H new ATOM 959 N ASP A 610 8.684 6.330 -1.415 1.00 0.00 N ATOM 960 CA ASP A 610 7.888 5.324 -2.112 1.00 0.00 C ATOM 961 C ASP A 610 7.424 4.265 -1.124 1.00 0.00 C ATOM 962 O ASP A 610 6.259 3.864 -1.114 1.00 0.00 O ATOM 963 CB ASP A 610 8.713 4.666 -3.219 1.00 0.00 C ATOM 964 CG ASP A 610 7.890 4.326 -4.441 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.954 3.511 -4.338 1.00 0.00 O ATOM 966 OD2 ASP A 610 8.180 4.882 -5.523 1.00 0.00 O ATOM 0 H ASP A 610 9.659 6.370 -1.712 1.00 0.00 H new ATOM 0 HA ASP A 610 7.022 5.810 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 610 9.524 5.335 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.172 3.757 -2.832 1.00 0.00 H new ATOM 971 N MET A 611 8.355 3.828 -0.282 1.00 0.00 N ATOM 972 CA MET A 611 8.065 2.864 0.771 1.00 0.00 C ATOM 973 C MET A 611 6.999 3.400 1.715 1.00 0.00 C ATOM 974 O MET A 611 6.026 2.711 2.025 1.00 0.00 O ATOM 975 CB MET A 611 9.343 2.531 1.550 1.00 0.00 C ATOM 976 CG MET A 611 9.097 1.730 2.815 1.00 0.00 C ATOM 977 SD MET A 611 10.623 1.323 3.684 1.00 0.00 S ATOM 978 CE MET A 611 11.178 2.954 4.171 1.00 0.00 C ATOM 0 H MET A 611 9.328 4.132 -0.311 1.00 0.00 H new ATOM 0 HA MET A 611 7.686 1.953 0.307 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.017 1.971 0.902 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.850 3.460 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.445 2.297 3.479 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.571 0.810 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.845 2.870 5.029 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.710 3.420 3.342 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.317 3.566 4.440 1.00 0.00 H new ATOM 988 N ALA A 612 7.179 4.640 2.151 1.00 0.00 N ATOM 989 CA ALA A 612 6.236 5.268 3.061 1.00 0.00 C ATOM 990 C ALA A 612 4.882 5.471 2.387 1.00 0.00 C ATOM 991 O ALA A 612 3.839 5.426 3.037 1.00 0.00 O ATOM 992 CB ALA A 612 6.786 6.593 3.567 1.00 0.00 C ATOM 0 H ALA A 612 7.969 5.229 1.888 1.00 0.00 H new ATOM 0 HA ALA A 612 6.093 4.605 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.067 7.049 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.724 6.420 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.961 7.260 2.723 1.00 0.00 H new ATOM 998 N ALA A 613 4.903 5.694 1.077 1.00 0.00 N ATOM 999 CA ALA A 613 3.676 5.844 0.305 1.00 0.00 C ATOM 1000 C ALA A 613 2.973 4.503 0.142 1.00 0.00 C ATOM 1001 O ALA A 613 1.752 4.441 0.017 1.00 0.00 O ATOM 1002 CB ALA A 613 3.970 6.458 -1.058 1.00 0.00 C ATOM 0 H ALA A 613 5.758 5.775 0.527 1.00 0.00 H new ATOM 0 HA ALA A 613 3.013 6.515 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 613 3.041 6.561 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.424 7.440 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.655 5.813 -1.608 1.00 0.00 H new ATOM 1008 N ALA A 614 3.747 3.429 0.152 1.00 0.00 N ATOM 1009 CA ALA A 614 3.192 2.093 0.014 1.00 0.00 C ATOM 1010 C ALA A 614 2.461 1.669 1.278 1.00 0.00 C ATOM 1011 O ALA A 614 1.314 1.231 1.220 1.00 0.00 O ATOM 1012 CB ALA A 614 4.285 1.093 -0.315 1.00 0.00 C ATOM 0 H ALA A 614 4.761 3.457 0.254 1.00 0.00 H new ATOM 0 HA ALA A 614 2.474 2.114 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.850 0.098 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.766 1.374 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.025 1.087 0.485 1.00 0.00 H new ATOM 1018 N GLU A 615 3.131 1.804 2.418 1.00 0.00 N ATOM 1019 CA GLU A 615 2.541 1.425 3.696 1.00 0.00 C ATOM 1020 C GLU A 615 1.307 2.264 3.999 1.00 0.00 C ATOM 1021 O GLU A 615 0.280 1.724 4.397 1.00 0.00 O ATOM 1022 CB GLU A 615 3.560 1.538 4.836 1.00 0.00 C ATOM 1023 CG GLU A 615 4.288 2.868 4.891 1.00 0.00 C ATOM 1024 CD GLU A 615 5.080 3.043 6.166 1.00 0.00 C ATOM 1025 OE1 GLU A 615 5.985 2.229 6.428 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.799 4.002 6.914 1.00 0.00 O ATOM 0 H GLU A 615 4.080 2.172 2.483 1.00 0.00 H new ATOM 0 HA GLU A 615 2.236 0.382 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 615 3.047 1.378 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.294 0.739 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.960 2.946 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.564 3.678 4.803 1.00 0.00 H new ATOM 1033 N GLN A 616 1.390 3.575 3.789 1.00 0.00 N ATOM 1034 CA GLN A 616 0.253 4.443 4.058 1.00 0.00 C ATOM 1035 C GLN A 616 -0.920 4.088 3.149 1.00 0.00 C ATOM 1036 O GLN A 616 -2.055 4.015 3.605 1.00 0.00 O ATOM 1037 CB GLN A 616 0.616 5.926 3.911 1.00 0.00 C ATOM 1038 CG GLN A 616 0.958 6.352 2.494 1.00 0.00 C ATOM 1039 CD GLN A 616 1.243 7.833 2.385 1.00 0.00 C ATOM 1040 OE1 GLN A 616 0.343 8.634 2.138 1.00 0.00 O ATOM 1041 NE2 GLN A 616 2.496 8.206 2.579 1.00 0.00 N ATOM 0 H GLN A 616 2.221 4.052 3.439 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.042 4.280 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.220 6.529 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.465 6.145 4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.828 5.792 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 616 0.131 6.095 1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 616 3.211 7.507 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 616 2.748 9.193 2.526 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.636 3.838 1.870 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.685 3.499 0.918 1.00 0.00 C ATOM 1052 C GLU A 617 -2.292 2.150 1.264 1.00 0.00 C ATOM 1053 O GLU A 617 -3.490 1.941 1.101 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.147 3.467 -0.511 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.243 3.314 -1.553 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.105 4.554 -1.667 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.708 5.493 -2.392 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.180 4.599 -1.035 1.00 0.00 O ATOM 0 H GLU A 617 0.304 3.864 1.476 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.453 4.270 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.593 4.385 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.441 2.642 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.793 3.097 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.870 2.461 -1.295 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.460 1.241 1.752 1.00 0.00 N ATOM 1066 CA LEU A 618 -1.924 -0.077 2.153 1.00 0.00 C ATOM 1067 C LEU A 618 -3.000 0.048 3.223 1.00 0.00 C ATOM 1068 O LEU A 618 -4.053 -0.577 3.132 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.749 -0.924 2.659 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.104 -2.344 3.101 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.858 -3.068 2.004 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.151 -3.117 3.464 1.00 0.00 C ATOM 0 H LEU A 618 -0.460 1.393 1.879 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.357 -0.577 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.001 -0.984 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.285 -0.406 3.498 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.743 -2.278 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.103 -4.077 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.777 -2.528 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.237 -3.121 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.120 -4.125 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.809 -3.170 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.667 -2.611 4.280 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.744 0.884 4.219 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.692 1.081 5.307 1.00 0.00 C ATOM 1086 C GLU A 619 -4.871 1.920 4.848 1.00 0.00 C ATOM 1087 O GLU A 619 -6.001 1.684 5.259 1.00 0.00 O ATOM 1088 CB GLU A 619 -3.011 1.752 6.487 1.00 0.00 C ATOM 1089 CG GLU A 619 -1.588 1.287 6.680 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.257 1.029 8.133 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -1.776 0.035 8.687 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.489 1.811 8.731 1.00 0.00 O ATOM 0 H GLU A 619 -1.890 1.436 4.297 1.00 0.00 H new ATOM 0 HA GLU A 619 -4.059 0.103 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.019 2.832 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -3.581 1.549 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.426 0.375 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -0.906 2.039 6.283 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.589 2.906 4.009 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.638 3.710 3.377 1.00 0.00 C ATOM 1101 C GLN A 620 -6.651 2.815 2.676 1.00 0.00 C ATOM 1102 O GLN A 620 -7.856 2.895 2.926 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.032 4.676 2.360 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.335 5.869 2.981 1.00 0.00 C ATOM 1105 CD GLN A 620 -5.311 6.914 3.479 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -5.751 6.882 4.629 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.659 7.846 2.609 1.00 0.00 N ATOM 0 H GLN A 620 -3.640 3.173 3.746 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.142 4.278 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.318 4.134 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.821 5.033 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.714 5.532 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -3.668 6.320 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -5.270 7.834 1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -6.317 8.577 2.880 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.147 1.954 1.806 1.00 0.00 N ATOM 1117 CA ALA A 621 -6.983 1.042 1.053 1.00 0.00 C ATOM 1118 C ALA A 621 -7.615 0.001 1.970 1.00 0.00 C ATOM 1119 O ALA A 621 -8.758 -0.394 1.768 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.172 0.379 -0.049 1.00 0.00 C ATOM 0 H ALA A 621 -5.151 1.870 1.605 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.791 1.610 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.810 -0.305 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.780 1.142 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.344 -0.176 0.392 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.870 -0.432 2.983 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.398 -1.372 3.969 1.00 0.00 C ATOM 1128 C PHE A 622 -8.600 -0.771 4.696 1.00 0.00 C ATOM 1129 O PHE A 622 -9.626 -1.429 4.870 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.321 -1.768 4.984 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.819 -3.174 4.816 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.641 -4.252 5.097 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.527 -3.415 4.381 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.185 -5.547 4.947 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.064 -4.708 4.229 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.893 -5.776 4.511 1.00 0.00 C ATOM 0 H PHE A 622 -5.903 -0.149 3.143 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.718 -2.267 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.481 -1.079 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.723 -1.653 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.651 -4.078 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.874 -2.584 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.836 -6.379 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.054 -4.883 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.533 -6.787 4.391 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.465 0.487 5.108 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.550 1.213 5.759 1.00 0.00 C ATOM 1148 C GLU A 623 -10.742 1.347 4.821 1.00 0.00 C ATOM 1149 O GLU A 623 -11.889 1.225 5.246 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.070 2.593 6.211 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.258 2.564 7.495 1.00 0.00 C ATOM 1152 CD GLU A 623 -9.116 2.278 8.710 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -9.638 3.242 9.309 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -9.279 1.095 9.072 1.00 0.00 O ATOM 0 H GLU A 623 -7.607 1.028 5.001 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.865 0.649 6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.466 3.036 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -9.935 3.241 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.481 1.804 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.754 3.522 7.626 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.463 1.604 3.547 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.505 1.619 2.527 1.00 0.00 C ATOM 1163 C ARG A 624 -12.201 0.265 2.493 1.00 0.00 C ATOM 1164 O ARG A 624 -13.424 0.185 2.542 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.905 1.930 1.150 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.918 1.956 0.016 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.843 3.156 0.113 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.108 4.420 0.065 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.682 5.608 -0.115 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -13.982 5.688 -0.367 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -11.953 6.715 -0.072 1.00 0.00 N ATOM 0 H ARG A 624 -9.526 1.804 3.197 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.229 2.396 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.403 2.897 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.142 1.185 0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.394 1.978 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.508 1.040 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.564 3.125 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.411 3.102 1.042 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.095 4.389 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.544 4.839 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.420 6.599 -0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -10.949 6.658 0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.396 7.623 -0.210 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.400 -0.791 2.443 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.904 -2.154 2.344 1.00 0.00 C ATOM 1187 C TRP A 625 -12.762 -2.529 3.549 1.00 0.00 C ATOM 1188 O TRP A 625 -13.888 -3.005 3.393 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.739 -3.135 2.206 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.187 -4.556 2.142 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.789 -5.177 1.090 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.076 -5.529 3.181 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -12.073 -6.482 1.418 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.644 -6.720 2.698 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.559 -5.503 4.478 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.703 -7.877 3.467 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.616 -6.652 5.240 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.187 -7.823 4.735 1.00 0.00 C ATOM 0 H TRP A 625 -10.382 -0.727 2.470 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.535 -2.210 1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.173 -2.896 1.306 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.062 -3.010 3.051 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -12.010 -4.714 0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.528 -7.162 0.809 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.122 -4.600 4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.140 -8.785 3.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.213 -6.646 6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.222 -8.705 5.358 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.233 -2.309 4.748 1.00 0.00 N ATOM 1210 CA GLU A 626 -12.948 -2.655 5.971 1.00 0.00 C ATOM 1211 C GLU A 626 -14.212 -1.811 6.113 1.00 0.00 C ATOM 1212 O GLU A 626 -15.198 -2.251 6.700 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.035 -2.494 7.190 1.00 0.00 C ATOM 1214 CG GLU A 626 -10.817 -3.408 7.141 1.00 0.00 C ATOM 1215 CD GLU A 626 -9.942 -3.309 8.371 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -10.262 -3.960 9.388 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -8.916 -2.602 8.326 1.00 0.00 O ATOM 0 H GLU A 626 -11.314 -1.894 4.899 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.250 -3.701 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.703 -1.458 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.605 -2.704 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.150 -4.439 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.223 -3.162 6.261 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.181 -0.604 5.557 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.369 0.235 5.487 1.00 0.00 C ATOM 1226 C TYR A 627 -16.382 -0.369 4.519 1.00 0.00 C ATOM 1227 O TYR A 627 -17.573 -0.393 4.798 1.00 0.00 O ATOM 1228 CB TYR A 627 -14.995 1.661 5.057 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.136 2.459 4.454 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.176 2.947 5.237 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.166 2.727 3.089 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.208 3.676 4.678 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.196 3.454 2.526 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.212 3.924 3.324 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.239 4.649 2.762 1.00 0.00 O ATOM 0 H TYR A 627 -13.345 -0.186 5.149 1.00 0.00 H new ATOM 0 HA TYR A 627 -15.821 0.285 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.611 2.199 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.184 1.606 4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.177 2.753 6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.370 2.360 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.008 4.049 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -17.203 3.652 1.464 1.00 0.00 H new ATOM 0 HH TYR A 627 -19.089 4.734 1.797 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.897 -0.870 3.393 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.764 -1.441 2.372 1.00 0.00 C ATOM 1247 C LEU A 628 -17.403 -2.740 2.858 1.00 0.00 C ATOM 1248 O LEU A 628 -18.598 -2.965 2.663 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.973 -1.670 1.083 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.381 -0.398 0.470 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.559 -0.721 -0.761 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.482 0.595 0.132 1.00 0.00 C ATOM 0 H LEU A 628 -14.904 -0.893 3.162 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.569 -0.735 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.164 -2.371 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.626 -2.142 0.349 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.720 0.057 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.150 0.200 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.743 -1.390 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.192 -1.205 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -16.042 1.492 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.170 0.145 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -17.024 0.860 1.040 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.605 -3.586 3.501 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.110 -4.826 4.086 1.00 0.00 C ATOM 1266 C GLU A 629 -18.147 -4.532 5.168 1.00 0.00 C ATOM 1267 O GLU A 629 -19.144 -5.243 5.300 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.961 -5.643 4.682 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.138 -6.409 3.660 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.919 -7.532 3.008 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.179 -8.548 3.684 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.276 -7.412 1.821 1.00 0.00 O ATOM 0 H GLU A 629 -15.604 -3.437 3.631 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.585 -5.403 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.301 -4.972 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.370 -6.350 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.788 -5.720 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.253 -6.821 4.146 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.902 -3.480 5.939 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.803 -3.093 7.019 1.00 0.00 C ATOM 1281 C ALA A 630 -20.064 -2.426 6.477 1.00 0.00 C ATOM 1282 O ALA A 630 -21.174 -2.765 6.883 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.092 -2.166 7.993 1.00 0.00 C ATOM 0 H ALA A 630 -17.085 -2.878 5.837 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.103 -3.998 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.776 -1.885 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.228 -2.677 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.762 -1.270 7.467 1.00 0.00 H new ATOM 1289 N LEU A 631 -19.875 -1.488 5.553 1.00 0.00 N ATOM 1290 CA LEU A 631 -20.980 -0.733 4.959 1.00 0.00 C ATOM 1291 C LEU A 631 -21.958 -1.669 4.267 1.00 0.00 C ATOM 1292 O LEU A 631 -23.166 -1.433 4.253 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.442 0.268 3.939 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.403 1.393 3.573 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.368 2.480 4.631 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.067 1.956 2.205 1.00 0.00 C ATOM 0 H LEU A 631 -18.956 -1.229 5.194 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.497 -0.203 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.525 0.707 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.174 -0.271 3.030 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.415 0.989 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.059 3.277 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -21.661 2.061 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.358 2.884 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.763 2.758 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.050 2.348 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.146 1.167 1.457 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.406 -2.731 3.695 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.187 -3.750 3.010 1.00 0.00 C ATOM 1310 C LYS A 632 -23.245 -4.337 3.944 1.00 0.00 C ATOM 1311 O LYS A 632 -24.363 -4.653 3.528 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.251 -4.866 2.540 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.925 -5.952 1.720 1.00 0.00 C ATOM 1314 CD LYS A 632 -21.075 -7.213 1.679 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.637 -6.920 1.270 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.784 -8.136 1.331 1.00 0.00 N ATOM 0 H LYS A 632 -20.402 -2.910 3.694 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.690 -3.295 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.450 -4.425 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.786 -5.324 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.901 -6.181 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -22.097 -5.592 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -21.083 -7.688 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.514 -7.923 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.623 -6.517 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -19.223 -6.153 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.788 -7.869 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.896 -8.593 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.070 -8.799 0.582 1.00 0.00 H new ATOM 1330 N ASN A 633 -22.874 -4.476 5.213 1.00 0.00 N ATOM 1331 CA ASN A 633 -23.737 -5.105 6.207 1.00 0.00 C ATOM 1332 C ASN A 633 -24.534 -4.058 6.985 1.00 0.00 C ATOM 1333 O ASN A 633 -25.686 -4.290 7.354 1.00 0.00 O ATOM 1334 CB ASN A 633 -22.891 -5.951 7.167 1.00 0.00 C ATOM 1335 CG ASN A 633 -23.725 -6.692 8.198 1.00 0.00 C ATOM 1336 OD1 ASN A 633 -24.241 -7.777 7.931 1.00 0.00 O ATOM 1337 ND2 ASN A 633 -23.840 -6.127 9.390 1.00 0.00 N ATOM 0 H ASN A 633 -21.976 -4.159 5.579 1.00 0.00 H new ATOM 0 HA ASN A 633 -24.447 -5.750 5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 633 -22.310 -6.672 6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 633 -22.179 -5.305 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 633 -24.371 -6.592 10.126 1.00 0.00 H new ATOM 0 HD22 ASN A 633 -23.397 -5.226 9.572 1.00 0.00 H new ATOM 1344 N GLY A 634 -23.915 -2.913 7.233 1.00 0.00 N ATOM 1345 CA GLY A 634 -24.569 -1.859 7.980 1.00 0.00 C ATOM 1346 C GLY A 634 -23.946 -0.508 7.719 1.00 0.00 C ATOM 1347 O GLY A 634 -22.785 -0.274 8.059 1.00 0.00 O ATOM 0 H GLY A 634 -22.966 -2.695 6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 634 -25.626 -1.828 7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 634 -24.515 -2.083 9.045 1.00 0.00 H new ATOM 1351 N GLY A 635 -24.717 0.375 7.118 1.00 0.00 N ATOM 1352 CA GLY A 635 -24.223 1.690 6.787 1.00 0.00 C ATOM 1353 C GLY A 635 -25.328 2.719 6.804 1.00 0.00 C ATOM 1354 O GLY A 635 -26.505 2.332 6.639 1.00 0.00 O ATOM 1355 OXT GLY A 635 -25.029 3.923 6.941 1.00 0.00 O ATOM 0 H GLY A 635 -25.686 0.204 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -23.447 1.977 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -23.761 1.668 5.800 1.00 0.00 H new TER 1359 GLY A 635