USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=18 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 Set 1.1: A 604 THR OG1 : rot -79:sc= -0.0968 USER MOD Set 1.2: A 605 GLN : amide:sc= -1.34 K(o=-1.4,f=-3.1!) USER MOD Set 2.1: A 563 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 565 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00366) USER MOD Single : A 551 LYS NZ :NH3+ -163:sc= -0.0281 (180deg=-0.23) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 145:sc= 0.361 (180deg=0.0201) USER MOD Single : A 558 SER OG : rot 1:sc= 0.437 USER MOD Single : A 559 SER OG : rot -143:sc= 1.32 USER MOD Single : A 560 SER OG : rot -34:sc= 0.0346 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 180:sc= 0.793 USER MOD Single : A 567 GLN : amide:sc= -0.649 K(o=-0.65,f=-0.073) USER MOD Single : A 572 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.2!) USER MOD Single : A 575 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.046) USER MOD Single : A 583 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.957) USER MOD Single : A 588 GLN : amide:sc= -0.701 K(o=-0.7,f=-3.6!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -0.896 K(o=-0.9,f=-0.016) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot -38:sc= 0.182 USER MOD Single : A 599 GLN : amide:sc= -0.997 X(o=-1,f=-0.59) USER MOD Single : A 601 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.25) USER MOD Single : A 603 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 606 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.712) USER MOD Single : A 611 MET CE :methyl 161:sc= -1.21 (180deg=-1.96) USER MOD Single : A 616 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.62) USER MOD Single : A 620 GLN : amide:sc= -5.07! K(o=-5.1!,f=-1.8) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 152:sc= -0.181 (180deg=-2.53!) USER MOD Single : A 633 ASN : amide:sc= -0.921 K(o=-0.92,f=-0.00076) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 551 -39.676 15.365 14.144 1.00 0.00 N ATOM 2 CA LYS A 551 -38.453 15.247 14.969 1.00 0.00 C ATOM 3 C LYS A 551 -37.846 13.851 14.862 1.00 0.00 C ATOM 4 O LYS A 551 -37.284 13.332 15.829 1.00 0.00 O ATOM 5 CB LYS A 551 -38.762 15.586 16.429 1.00 0.00 C ATOM 6 CG LYS A 551 -40.053 14.974 16.951 1.00 0.00 C ATOM 7 CD LYS A 551 -40.346 15.422 18.370 1.00 0.00 C ATOM 8 CE LYS A 551 -39.493 14.676 19.383 1.00 0.00 C ATOM 9 NZ LYS A 551 -39.890 13.246 19.494 1.00 0.00 N ATOM 0 HA LYS A 551 -37.721 15.960 14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 551 -37.934 15.247 17.052 1.00 0.00 H new ATOM 0 HB3 LYS A 551 -38.818 16.669 16.535 1.00 0.00 H new ATOM 0 HG2 LYS A 551 -40.880 15.258 16.301 1.00 0.00 H new ATOM 0 HG3 LYS A 551 -39.981 13.887 16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 551 -40.163 16.493 18.459 1.00 0.00 H new ATOM 0 HD3 LYS A 551 -41.401 15.259 18.592 1.00 0.00 H new ATOM 0 HE2 LYS A 551 -38.444 14.741 19.093 1.00 0.00 H new ATOM 0 HE3 LYS A 551 -39.584 15.155 20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 -39.502 12.845 20.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 -40.927 13.174 19.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 -39.518 12.718 18.679 1.00 0.00 H new ATOM 23 N ALA A 552 -37.956 13.251 13.680 1.00 0.00 N ATOM 24 CA ALA A 552 -37.407 11.924 13.430 1.00 0.00 C ATOM 25 C ALA A 552 -37.483 11.593 11.947 1.00 0.00 C ATOM 26 O ALA A 552 -38.426 11.990 11.263 1.00 0.00 O ATOM 27 CB ALA A 552 -38.160 10.877 14.234 1.00 0.00 C ATOM 0 H ALA A 552 -38.424 13.668 12.875 1.00 0.00 H new ATOM 0 HA ALA A 552 -36.362 11.920 13.741 1.00 0.00 H new ATOM 0 HB1 ALA A 552 -37.737 9.892 14.035 1.00 0.00 H new ATOM 0 HB2 ALA A 552 -38.072 11.102 15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 552 -39.212 10.885 13.947 1.00 0.00 H new ATOM 33 N GLU A 553 -36.480 10.882 11.453 1.00 0.00 N ATOM 34 CA GLU A 553 -36.446 10.501 10.051 1.00 0.00 C ATOM 35 C GLU A 553 -36.838 9.041 9.887 1.00 0.00 C ATOM 36 O GLU A 553 -37.900 8.738 9.349 1.00 0.00 O ATOM 37 CB GLU A 553 -35.054 10.718 9.459 1.00 0.00 C ATOM 38 CG GLU A 553 -34.507 12.120 9.643 1.00 0.00 C ATOM 39 CD GLU A 553 -33.252 12.355 8.829 1.00 0.00 C ATOM 40 OE1 GLU A 553 -32.280 11.583 8.979 1.00 0.00 O ATOM 41 OE2 GLU A 553 -33.245 13.294 8.004 1.00 0.00 O ATOM 0 H GLU A 553 -35.682 10.559 12.001 1.00 0.00 H new ATOM 0 HA GLU A 553 -37.159 11.131 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 553 -34.364 10.009 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 553 -35.086 10.490 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 553 -35.267 12.846 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 553 -34.291 12.288 10.698 1.00 0.00 H new ATOM 48 N THR A 554 -35.977 8.150 10.377 1.00 0.00 N ATOM 49 CA THR A 554 -36.152 6.712 10.205 1.00 0.00 C ATOM 50 C THR A 554 -36.079 6.327 8.724 1.00 0.00 C ATOM 51 O THR A 554 -37.047 6.495 7.985 1.00 0.00 O ATOM 52 CB THR A 554 -37.481 6.214 10.815 1.00 0.00 C ATOM 53 OG1 THR A 554 -37.559 6.599 12.196 1.00 0.00 O ATOM 54 CG2 THR A 554 -37.598 4.698 10.707 1.00 0.00 C ATOM 0 H THR A 554 -35.141 8.406 10.903 1.00 0.00 H new ATOM 0 HA THR A 554 -35.336 6.226 10.740 1.00 0.00 H new ATOM 0 HB THR A 554 -38.300 6.668 10.258 1.00 0.00 H new ATOM 0 HG1 THR A 554 -38.405 6.282 12.577 1.00 0.00 H new ATOM 0 HG21 THR A 554 -38.543 4.374 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 554 -37.564 4.404 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 554 -36.771 4.230 11.242 1.00 0.00 H new ATOM 62 N VAL A 555 -34.906 5.826 8.327 1.00 0.00 N ATOM 63 CA VAL A 555 -34.583 5.400 6.954 1.00 0.00 C ATOM 64 C VAL A 555 -34.631 6.563 5.955 1.00 0.00 C ATOM 65 O VAL A 555 -35.539 7.401 5.962 1.00 0.00 O ATOM 66 CB VAL A 555 -35.436 4.197 6.433 1.00 0.00 C ATOM 67 CG1 VAL A 555 -35.610 3.143 7.517 1.00 0.00 C ATOM 68 CG2 VAL A 555 -36.785 4.625 5.863 1.00 0.00 C ATOM 0 H VAL A 555 -34.125 5.700 8.971 1.00 0.00 H new ATOM 0 HA VAL A 555 -33.556 5.041 7.022 1.00 0.00 H new ATOM 0 HB VAL A 555 -34.878 3.757 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 555 -36.207 2.317 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 555 -34.632 2.771 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 555 -36.116 3.584 8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 555 -37.330 3.746 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 555 -37.363 5.130 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 555 -36.627 5.305 5.026 1.00 0.00 H new ATOM 78 N LYS A 556 -33.622 6.619 5.100 1.00 0.00 N ATOM 79 CA LYS A 556 -33.533 7.646 4.078 1.00 0.00 C ATOM 80 C LYS A 556 -34.344 7.228 2.852 1.00 0.00 C ATOM 81 O LYS A 556 -33.821 7.162 1.736 1.00 0.00 O ATOM 82 CB LYS A 556 -32.063 7.877 3.705 1.00 0.00 C ATOM 83 CG LYS A 556 -31.798 9.206 3.008 1.00 0.00 C ATOM 84 CD LYS A 556 -32.201 10.388 3.880 1.00 0.00 C ATOM 85 CE LYS A 556 -31.448 10.405 5.203 1.00 0.00 C ATOM 86 NZ LYS A 556 -31.961 11.460 6.118 1.00 0.00 N ATOM 0 H LYS A 556 -32.846 5.957 5.096 1.00 0.00 H new ATOM 0 HA LYS A 556 -33.945 8.579 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 556 -31.458 7.827 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 556 -31.733 7.066 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 556 -30.740 9.282 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 556 -32.350 9.241 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 556 -32.010 11.317 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 556 -33.273 10.347 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 556 -31.538 9.431 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 556 -30.387 10.571 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 -31.911 11.122 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 -31.382 12.318 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 -32.949 11.678 5.877 1.00 0.00 H new ATOM 100 N ARG A 557 -35.627 6.941 3.092 1.00 0.00 N ATOM 101 CA ARG A 557 -36.561 6.458 2.070 1.00 0.00 C ATOM 102 C ARG A 557 -36.199 5.041 1.624 1.00 0.00 C ATOM 103 O ARG A 557 -36.909 4.085 1.933 1.00 0.00 O ATOM 104 CB ARG A 557 -36.626 7.400 0.861 1.00 0.00 C ATOM 105 CG ARG A 557 -37.136 8.796 1.192 1.00 0.00 C ATOM 106 CD ARG A 557 -38.490 8.755 1.887 1.00 0.00 C ATOM 107 NE ARG A 557 -39.511 8.099 1.075 1.00 0.00 N ATOM 108 CZ ARG A 557 -40.758 7.878 1.482 1.00 0.00 C ATOM 109 NH1 ARG A 557 -41.168 8.317 2.669 1.00 0.00 N ATOM 110 NH2 ARG A 557 -41.604 7.237 0.685 1.00 0.00 N ATOM 0 H ARG A 557 -36.052 7.039 4.014 1.00 0.00 H new ATOM 0 HA ARG A 557 -37.551 6.438 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -35.631 7.482 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -37.273 6.958 0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -36.415 9.304 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -37.216 9.380 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -38.392 8.230 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -38.809 9.772 2.116 1.00 0.00 H new ATOM 0 HE ARG A 557 -39.252 7.791 0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -40.525 8.827 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -42.126 8.144 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -41.297 6.917 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -42.562 7.064 0.991 1.00 0.00 H new ATOM 124 N SER A 558 -35.099 4.914 0.899 1.00 0.00 N ATOM 125 CA SER A 558 -34.618 3.621 0.438 1.00 0.00 C ATOM 126 C SER A 558 -33.117 3.679 0.171 1.00 0.00 C ATOM 127 O SER A 558 -32.666 4.347 -0.761 1.00 0.00 O ATOM 128 CB SER A 558 -35.366 3.193 -0.828 1.00 0.00 C ATOM 129 OG SER A 558 -36.749 3.021 -0.563 1.00 0.00 O ATOM 0 H SER A 558 -34.516 5.701 0.614 1.00 0.00 H new ATOM 0 HA SER A 558 -34.806 2.883 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 558 -35.231 3.944 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 558 -34.945 2.262 -1.207 1.00 0.00 H new ATOM 0 HG SER A 558 -36.931 3.233 0.376 1.00 0.00 H new ATOM 135 N SER A 559 -32.348 2.998 1.004 1.00 0.00 N ATOM 136 CA SER A 559 -30.907 2.947 0.841 1.00 0.00 C ATOM 137 C SER A 559 -30.509 1.734 0.008 1.00 0.00 C ATOM 138 O SER A 559 -30.897 0.602 0.311 1.00 0.00 O ATOM 139 CB SER A 559 -30.224 2.899 2.210 1.00 0.00 C ATOM 140 OG SER A 559 -28.817 2.759 2.086 1.00 0.00 O ATOM 0 H SER A 559 -32.701 2.471 1.803 1.00 0.00 H new ATOM 0 HA SER A 559 -30.582 3.847 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 559 -30.452 3.810 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 559 -30.624 2.066 2.788 1.00 0.00 H new ATOM 0 HG SER A 559 -28.482 2.178 2.800 1.00 0.00 H new ATOM 146 N SER A 560 -29.747 1.981 -1.050 1.00 0.00 N ATOM 147 CA SER A 560 -29.217 0.915 -1.884 1.00 0.00 C ATOM 148 C SER A 560 -28.146 0.139 -1.119 1.00 0.00 C ATOM 149 O SER A 560 -27.766 -0.968 -1.513 1.00 0.00 O ATOM 150 CB SER A 560 -28.641 1.502 -3.179 1.00 0.00 C ATOM 151 OG SER A 560 -28.297 0.484 -4.101 1.00 0.00 O ATOM 0 H SER A 560 -29.482 2.919 -1.351 1.00 0.00 H new ATOM 0 HA SER A 560 -30.022 0.227 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 560 -29.371 2.173 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 560 -27.759 2.099 -2.948 1.00 0.00 H new ATOM 0 HG SER A 560 -27.982 -0.306 -3.614 1.00 0.00 H new ATOM 157 N LYS A 561 -27.681 0.734 -0.014 1.00 0.00 N ATOM 158 CA LYS A 561 -26.695 0.123 0.876 1.00 0.00 C ATOM 159 C LYS A 561 -25.316 0.066 0.222 1.00 0.00 C ATOM 160 O LYS A 561 -24.396 0.767 0.642 1.00 0.00 O ATOM 161 CB LYS A 561 -27.164 -1.269 1.317 1.00 0.00 C ATOM 162 CG LYS A 561 -26.241 -1.958 2.307 1.00 0.00 C ATOM 163 CD LYS A 561 -26.916 -3.171 2.927 1.00 0.00 C ATOM 164 CE LYS A 561 -27.281 -4.211 1.881 1.00 0.00 C ATOM 165 NZ LYS A 561 -28.144 -5.280 2.444 1.00 0.00 N ATOM 0 H LYS A 561 -27.983 1.661 0.287 1.00 0.00 H new ATOM 0 HA LYS A 561 -26.603 0.748 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -28.155 -1.181 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -27.267 -1.901 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -25.325 -2.265 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -25.954 -1.257 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -26.252 -3.618 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -27.816 -2.856 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -27.796 -3.727 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -26.371 -4.654 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -28.371 -5.970 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -27.642 -5.759 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -29.023 -4.861 2.808 1.00 0.00 H new ATOM 179 N LEU A 562 -25.184 -0.742 -0.815 1.00 0.00 N ATOM 180 CA LEU A 562 -23.923 -0.876 -1.519 1.00 0.00 C ATOM 181 C LEU A 562 -24.089 -0.382 -2.950 1.00 0.00 C ATOM 182 O LEU A 562 -24.661 -1.072 -3.797 1.00 0.00 O ATOM 183 CB LEU A 562 -23.455 -2.337 -1.501 1.00 0.00 C ATOM 184 CG LEU A 562 -21.943 -2.567 -1.613 1.00 0.00 C ATOM 185 CD1 LEU A 562 -21.429 -2.159 -2.977 1.00 0.00 C ATOM 186 CD2 LEU A 562 -21.207 -1.812 -0.519 1.00 0.00 C ATOM 0 H LEU A 562 -25.939 -1.317 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 562 -23.164 -0.273 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -23.803 -2.797 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -23.943 -2.863 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 562 -21.755 -3.633 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -20.354 -2.333 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -21.929 -2.749 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -21.633 -1.101 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -20.135 -1.987 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -21.410 -0.745 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -21.547 -2.162 0.456 1.00 0.00 H new ATOM 198 N SER A 563 -23.615 0.826 -3.204 1.00 0.00 N ATOM 199 CA SER A 563 -23.628 1.383 -4.544 1.00 0.00 C ATOM 200 C SER A 563 -22.615 0.635 -5.407 1.00 0.00 C ATOM 201 O SER A 563 -21.568 0.200 -4.925 1.00 0.00 O ATOM 202 CB SER A 563 -23.295 2.878 -4.493 1.00 0.00 C ATOM 203 OG SER A 563 -23.613 3.523 -5.715 1.00 0.00 O ATOM 0 H SER A 563 -23.215 1.441 -2.496 1.00 0.00 H new ATOM 0 HA SER A 563 -24.620 1.270 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.847 3.347 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.235 3.009 -4.277 1.00 0.00 H new ATOM 0 HG SER A 563 -23.391 4.475 -5.650 1.00 0.00 H new ATOM 209 N TYR A 564 -22.948 0.488 -6.684 1.00 0.00 N ATOM 210 CA TYR A 564 -22.151 -0.288 -7.632 1.00 0.00 C ATOM 211 C TYR A 564 -20.687 0.141 -7.649 1.00 0.00 C ATOM 212 O TYR A 564 -19.799 -0.679 -7.895 1.00 0.00 O ATOM 213 CB TYR A 564 -22.734 -0.152 -9.031 1.00 0.00 C ATOM 214 CG TYR A 564 -22.011 -0.979 -10.064 1.00 0.00 C ATOM 215 CD1 TYR A 564 -22.328 -2.314 -10.246 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.006 -0.428 -10.849 1.00 0.00 C ATOM 217 CE1 TYR A 564 -21.668 -3.078 -11.182 1.00 0.00 C ATOM 218 CE2 TYR A 564 -20.340 -1.187 -11.786 1.00 0.00 C ATOM 219 CZ TYR A 564 -20.674 -2.510 -11.951 1.00 0.00 C ATOM 220 OH TYR A 564 -20.012 -3.269 -12.891 1.00 0.00 O ATOM 0 H TYR A 564 -23.783 0.905 -7.095 1.00 0.00 H new ATOM 0 HA TYR A 564 -22.187 -1.328 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.783 -0.447 -9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.703 0.896 -9.329 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -23.105 -2.763 -9.645 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.743 0.612 -10.723 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.928 -4.118 -11.314 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -19.560 -0.745 -12.388 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.343 -2.716 -13.346 1.00 0.00 H new ATOM 230 N LYS A 565 -20.441 1.421 -7.399 1.00 0.00 N ATOM 231 CA LYS A 565 -19.083 1.948 -7.383 1.00 0.00 C ATOM 232 C LYS A 565 -18.243 1.308 -6.283 1.00 0.00 C ATOM 233 O LYS A 565 -17.037 1.171 -6.433 1.00 0.00 O ATOM 234 CB LYS A 565 -19.092 3.464 -7.242 1.00 0.00 C ATOM 235 CG LYS A 565 -19.919 3.968 -6.081 1.00 0.00 C ATOM 236 CD LYS A 565 -19.818 5.465 -5.958 1.00 0.00 C ATOM 237 CE LYS A 565 -20.165 6.155 -7.261 1.00 0.00 C ATOM 238 NZ LYS A 565 -21.572 5.916 -7.682 1.00 0.00 N ATOM 0 H LYS A 565 -21.165 2.113 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.623 1.693 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.066 3.814 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.474 3.902 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.961 3.680 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.579 3.500 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.488 5.812 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.806 5.739 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.999 7.227 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -19.492 5.804 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.760 6.424 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.722 4.897 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -22.218 6.259 -6.943 1.00 0.00 H new ATOM 252 N LEU A 566 -18.886 0.884 -5.201 1.00 0.00 N ATOM 253 CA LEU A 566 -18.179 0.213 -4.116 1.00 0.00 C ATOM 254 C LEU A 566 -18.080 -1.259 -4.426 1.00 0.00 C ATOM 255 O LEU A 566 -17.176 -1.940 -3.957 1.00 0.00 O ATOM 256 CB LEU A 566 -18.896 0.354 -2.770 1.00 0.00 C ATOM 257 CG LEU A 566 -19.172 1.768 -2.269 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.393 2.359 -2.947 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.375 1.736 -0.771 1.00 0.00 C ATOM 0 H LEU A 566 -19.889 0.992 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.198 0.682 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.849 -0.171 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.301 -0.161 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.316 2.398 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.566 3.367 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.229 2.397 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.263 1.738 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.573 2.745 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.222 1.093 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.477 1.347 -0.290 1.00 0.00 H new ATOM 271 N GLN A 567 -19.039 -1.743 -5.205 1.00 0.00 N ATOM 272 CA GLN A 567 -19.077 -3.139 -5.598 1.00 0.00 C ATOM 273 C GLN A 567 -17.762 -3.521 -6.243 1.00 0.00 C ATOM 274 O GLN A 567 -17.031 -4.370 -5.745 1.00 0.00 O ATOM 275 CB GLN A 567 -20.253 -3.389 -6.554 1.00 0.00 C ATOM 276 CG GLN A 567 -21.309 -4.318 -5.983 1.00 0.00 C ATOM 277 CD GLN A 567 -20.813 -5.739 -5.812 1.00 0.00 C ATOM 278 OE1 GLN A 567 -20.932 -6.567 -6.715 1.00 0.00 O ATOM 279 NE2 GLN A 567 -20.254 -6.025 -4.653 1.00 0.00 N ATOM 0 H GLN A 567 -19.805 -1.182 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.224 -3.761 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.717 -2.435 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.872 -3.812 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.639 -3.935 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -22.179 -4.319 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -20.177 -5.307 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -19.899 -6.965 -4.476 1.00 0.00 H new ATOM 288 N ARG A 568 -17.444 -2.835 -7.320 1.00 0.00 N ATOM 289 CA ARG A 568 -16.219 -3.088 -8.056 1.00 0.00 C ATOM 290 C ARG A 568 -15.010 -2.491 -7.339 1.00 0.00 C ATOM 291 O ARG A 568 -13.879 -2.921 -7.564 1.00 0.00 O ATOM 292 CB ARG A 568 -16.345 -2.551 -9.482 1.00 0.00 C ATOM 293 CG ARG A 568 -17.047 -3.509 -10.436 1.00 0.00 C ATOM 294 CD ARG A 568 -18.358 -4.030 -9.864 1.00 0.00 C ATOM 295 NE ARG A 568 -19.092 -4.859 -10.824 1.00 0.00 N ATOM 296 CZ ARG A 568 -19.644 -6.037 -10.529 1.00 0.00 C ATOM 297 NH1 ARG A 568 -19.361 -6.644 -9.391 1.00 0.00 N ATOM 298 NH2 ARG A 568 -20.445 -6.638 -11.399 1.00 0.00 N ATOM 0 H ARG A 568 -18.022 -2.090 -7.710 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.061 -4.165 -8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -16.892 -1.609 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -15.349 -2.332 -9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -17.241 -3.001 -11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -16.388 -4.349 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -18.154 -4.612 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -18.981 -3.188 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 568 -19.187 -4.513 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -18.716 -6.212 -8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -19.788 -7.545 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -20.641 -6.199 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -20.864 -7.539 -11.168 1.00 0.00 H new ATOM 312 N GLU A 569 -15.252 -1.515 -6.461 1.00 0.00 N ATOM 313 CA GLU A 569 -14.184 -0.921 -5.664 1.00 0.00 C ATOM 314 C GLU A 569 -13.631 -1.965 -4.703 1.00 0.00 C ATOM 315 O GLU A 569 -12.422 -2.158 -4.589 1.00 0.00 O ATOM 316 CB GLU A 569 -14.712 0.289 -4.877 1.00 0.00 C ATOM 317 CG GLU A 569 -13.629 1.107 -4.198 1.00 0.00 C ATOM 318 CD GLU A 569 -14.176 2.322 -3.472 1.00 0.00 C ATOM 319 OE1 GLU A 569 -14.373 3.370 -4.124 1.00 0.00 O ATOM 320 OE2 GLU A 569 -14.411 2.241 -2.250 1.00 0.00 O ATOM 0 H GLU A 569 -16.177 -1.122 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.390 -0.581 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.269 0.935 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.415 -0.061 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.095 0.476 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.904 1.432 -4.944 1.00 0.00 H new ATOM 327 N LEU A 570 -14.546 -2.665 -4.054 1.00 0.00 N ATOM 328 CA LEU A 570 -14.211 -3.675 -3.065 1.00 0.00 C ATOM 329 C LEU A 570 -13.558 -4.885 -3.730 1.00 0.00 C ATOM 330 O LEU A 570 -12.723 -5.549 -3.135 1.00 0.00 O ATOM 331 CB LEU A 570 -15.498 -4.093 -2.338 1.00 0.00 C ATOM 332 CG LEU A 570 -15.334 -4.796 -0.981 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.672 -4.860 -0.275 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.784 -6.205 -1.131 1.00 0.00 C ATOM 0 H LEU A 570 -15.549 -2.548 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.498 -3.264 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.107 -3.202 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.060 -4.755 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.621 -4.215 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.552 -5.359 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.048 -3.849 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.380 -5.418 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.685 -6.663 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.465 -6.798 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.807 -6.165 -1.613 1.00 0.00 H new ATOM 346 N GLU A 571 -13.932 -5.158 -4.971 1.00 0.00 N ATOM 347 CA GLU A 571 -13.495 -6.376 -5.651 1.00 0.00 C ATOM 348 C GLU A 571 -12.103 -6.242 -6.261 1.00 0.00 C ATOM 349 O GLU A 571 -11.463 -7.245 -6.583 1.00 0.00 O ATOM 350 CB GLU A 571 -14.524 -6.772 -6.706 1.00 0.00 C ATOM 351 CG GLU A 571 -15.859 -7.159 -6.097 1.00 0.00 C ATOM 352 CD GLU A 571 -16.919 -7.435 -7.135 1.00 0.00 C ATOM 353 OE1 GLU A 571 -17.412 -6.473 -7.753 1.00 0.00 O ATOM 354 OE2 GLU A 571 -17.266 -8.621 -7.337 1.00 0.00 O ATOM 0 H GLU A 571 -14.536 -4.556 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.422 -7.166 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.670 -5.941 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -14.138 -7.608 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.726 -8.045 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.200 -6.358 -5.441 1.00 0.00 H new ATOM 361 N GLN A 572 -11.636 -5.018 -6.415 1.00 0.00 N ATOM 362 CA GLN A 572 -10.298 -4.780 -6.944 1.00 0.00 C ATOM 363 C GLN A 572 -9.320 -4.527 -5.804 1.00 0.00 C ATOM 364 O GLN A 572 -8.145 -4.890 -5.857 1.00 0.00 O ATOM 365 CB GLN A 572 -10.312 -3.564 -7.867 1.00 0.00 C ATOM 366 CG GLN A 572 -10.522 -2.245 -7.136 1.00 0.00 C ATOM 367 CD GLN A 572 -10.924 -1.115 -8.065 1.00 0.00 C ATOM 368 OE1 GLN A 572 -11.629 -0.187 -7.668 1.00 0.00 O ATOM 369 NE2 GLN A 572 -10.467 -1.179 -9.305 1.00 0.00 N ATOM 0 H GLN A 572 -12.158 -4.173 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.984 -5.662 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -9.369 -3.521 -8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -11.102 -3.689 -8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.292 -2.375 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -9.603 -1.973 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -9.885 -1.965 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -10.696 -0.442 -9.972 1.00 0.00 H new ATOM 378 N LEU A 573 -9.860 -3.904 -4.782 1.00 0.00 N ATOM 379 CA LEU A 573 -9.127 -3.426 -3.617 1.00 0.00 C ATOM 380 C LEU A 573 -8.235 -4.511 -2.957 1.00 0.00 C ATOM 381 O LEU A 573 -7.104 -4.207 -2.605 1.00 0.00 O ATOM 382 CB LEU A 573 -10.165 -2.863 -2.642 1.00 0.00 C ATOM 383 CG LEU A 573 -9.729 -1.691 -1.759 1.00 0.00 C ATOM 384 CD1 LEU A 573 -10.909 -1.177 -0.956 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.594 -2.075 -0.831 1.00 0.00 C ATOM 0 H LEU A 573 -10.859 -3.705 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.419 -2.656 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.034 -2.547 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.492 -3.674 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.364 -0.901 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.588 -0.343 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.693 -0.841 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.295 -1.977 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.315 -1.215 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.914 -2.890 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.735 -2.396 -1.420 1.00 0.00 H new ATOM 397 N PRO A 574 -8.687 -5.778 -2.773 1.00 0.00 N ATOM 398 CA PRO A 574 -7.836 -6.827 -2.179 1.00 0.00 C ATOM 399 C PRO A 574 -6.577 -7.081 -3.002 1.00 0.00 C ATOM 400 O PRO A 574 -5.497 -7.306 -2.453 1.00 0.00 O ATOM 401 CB PRO A 574 -8.730 -8.070 -2.172 1.00 0.00 C ATOM 402 CG PRO A 574 -10.117 -7.544 -2.261 1.00 0.00 C ATOM 403 CD PRO A 574 -10.024 -6.298 -3.091 1.00 0.00 C ATOM 0 HA PRO A 574 -7.482 -6.544 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.501 -8.726 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.587 -8.655 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -10.784 -8.273 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.518 -7.326 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.129 -6.514 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.805 -5.583 -2.832 1.00 0.00 H new ATOM 411 N GLN A 575 -6.719 -7.018 -4.323 1.00 0.00 N ATOM 412 CA GLN A 575 -5.588 -7.200 -5.228 1.00 0.00 C ATOM 413 C GLN A 575 -4.619 -6.037 -5.084 1.00 0.00 C ATOM 414 O GLN A 575 -3.422 -6.158 -5.349 1.00 0.00 O ATOM 415 CB GLN A 575 -6.075 -7.297 -6.672 1.00 0.00 C ATOM 416 CG GLN A 575 -7.009 -8.472 -6.917 1.00 0.00 C ATOM 417 CD GLN A 575 -7.654 -8.446 -8.291 1.00 0.00 C ATOM 418 OE1 GLN A 575 -7.967 -9.491 -8.864 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.860 -7.254 -8.834 1.00 0.00 N ATOM 0 H GLN A 575 -7.608 -6.842 -4.791 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.076 -8.127 -4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.589 -6.373 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.213 -7.384 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.451 -9.401 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.790 -8.472 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -7.588 -6.410 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -8.291 -7.181 -9.756 1.00 0.00 H new ATOM 428 N LEU A 576 -5.163 -4.910 -4.663 1.00 0.00 N ATOM 429 CA LEU A 576 -4.378 -3.720 -4.399 1.00 0.00 C ATOM 430 C LEU A 576 -3.739 -3.790 -3.011 1.00 0.00 C ATOM 431 O LEU A 576 -2.619 -3.328 -2.813 1.00 0.00 O ATOM 432 CB LEU A 576 -5.267 -2.488 -4.537 1.00 0.00 C ATOM 433 CG LEU A 576 -4.678 -1.193 -4.001 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.565 -0.691 -4.913 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.759 -0.137 -3.833 1.00 0.00 C ATOM 0 H LEU A 576 -6.162 -4.795 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.569 -3.652 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.505 -2.349 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.207 -2.680 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.248 -1.394 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.157 0.237 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.775 -1.440 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -3.966 -0.510 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.314 0.781 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.226 0.062 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.513 -0.496 -3.132 1.00 0.00 H new ATOM 447 N LEU A 577 -4.455 -4.370 -2.055 1.00 0.00 N ATOM 448 CA LEU A 577 -3.904 -4.623 -0.726 1.00 0.00 C ATOM 449 C LEU A 577 -2.684 -5.510 -0.806 1.00 0.00 C ATOM 450 O LEU A 577 -1.634 -5.177 -0.267 1.00 0.00 O ATOM 451 CB LEU A 577 -4.950 -5.260 0.197 1.00 0.00 C ATOM 452 CG LEU A 577 -5.769 -4.294 1.058 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.553 -2.843 0.645 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.248 -4.658 1.014 1.00 0.00 C ATOM 0 H LEU A 577 -5.421 -4.675 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.612 -3.660 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.639 -5.841 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.442 -5.962 0.858 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.419 -4.392 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.152 -2.191 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.499 -2.587 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.853 -2.712 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.813 -3.960 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.606 -4.604 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.385 -5.671 1.393 1.00 0.00 H new ATOM 466 N GLU A 578 -2.815 -6.632 -1.488 1.00 0.00 N ATOM 467 CA GLU A 578 -1.691 -7.531 -1.650 1.00 0.00 C ATOM 468 C GLU A 578 -0.606 -6.873 -2.499 1.00 0.00 C ATOM 469 O GLU A 578 0.569 -7.212 -2.389 1.00 0.00 O ATOM 470 CB GLU A 578 -2.126 -8.864 -2.263 1.00 0.00 C ATOM 471 CG GLU A 578 -2.755 -8.747 -3.641 1.00 0.00 C ATOM 472 CD GLU A 578 -3.068 -10.096 -4.255 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.172 -10.624 -4.016 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.202 -10.639 -4.978 1.00 0.00 O ATOM 0 H GLU A 578 -3.679 -6.940 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.282 -7.742 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.258 -9.520 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.838 -9.343 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.673 -8.163 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.080 -8.200 -4.299 1.00 0.00 H new ATOM 481 N ASP A 579 -1.007 -5.909 -3.324 1.00 0.00 N ATOM 482 CA ASP A 579 -0.061 -5.162 -4.147 1.00 0.00 C ATOM 483 C ASP A 579 0.799 -4.273 -3.276 1.00 0.00 C ATOM 484 O ASP A 579 2.020 -4.320 -3.336 1.00 0.00 O ATOM 485 CB ASP A 579 -0.778 -4.265 -5.149 1.00 0.00 C ATOM 486 CG ASP A 579 0.075 -3.999 -6.371 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.334 -4.952 -7.135 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.523 -2.850 -6.552 1.00 0.00 O ATOM 0 H ASP A 579 -1.980 -5.627 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 579 0.546 -5.895 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.714 -4.734 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.036 -3.319 -4.672 1.00 0.00 H new ATOM 493 N LEU A 580 0.133 -3.454 -2.472 1.00 0.00 N ATOM 494 CA LEU A 580 0.801 -2.480 -1.624 1.00 0.00 C ATOM 495 C LEU A 580 1.540 -3.165 -0.490 1.00 0.00 C ATOM 496 O LEU A 580 2.570 -2.678 -0.028 1.00 0.00 O ATOM 497 CB LEU A 580 -0.221 -1.498 -1.067 1.00 0.00 C ATOM 498 CG LEU A 580 -1.035 -0.768 -2.128 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.125 0.061 -1.479 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.127 0.095 -2.993 1.00 0.00 C ATOM 0 H LEU A 580 -0.884 -3.448 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 580 1.531 -1.939 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.903 -2.036 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.298 -0.761 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.513 -1.505 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.698 0.576 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.787 -0.591 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.675 0.794 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.724 0.610 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.381 0.830 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.613 -0.536 -3.485 1.00 0.00 H new ATOM 512 N GLU A 581 1.004 -4.288 -0.043 1.00 0.00 N ATOM 513 CA GLU A 581 1.672 -5.105 0.955 1.00 0.00 C ATOM 514 C GLU A 581 2.993 -5.601 0.400 1.00 0.00 C ATOM 515 O GLU A 581 4.055 -5.350 0.971 1.00 0.00 O ATOM 516 CB GLU A 581 0.798 -6.294 1.333 1.00 0.00 C ATOM 517 CG GLU A 581 1.401 -7.161 2.421 1.00 0.00 C ATOM 518 CD GLU A 581 0.587 -8.406 2.679 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.639 -9.334 1.851 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.124 -8.455 3.700 1.00 0.00 O ATOM 0 H GLU A 581 0.106 -4.655 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 581 1.852 -4.502 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.174 -5.930 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.624 -6.904 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.414 -7.445 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.478 -6.583 3.342 1.00 0.00 H new ATOM 527 N ALA A 582 2.912 -6.287 -0.735 1.00 0.00 N ATOM 528 CA ALA A 582 4.092 -6.794 -1.422 1.00 0.00 C ATOM 529 C ALA A 582 5.025 -5.652 -1.800 1.00 0.00 C ATOM 530 O ALA A 582 6.244 -5.815 -1.822 1.00 0.00 O ATOM 531 CB ALA A 582 3.684 -7.575 -2.661 1.00 0.00 C ATOM 0 H ALA A 582 2.032 -6.506 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 582 4.625 -7.463 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.575 -7.949 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.053 -8.415 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.131 -6.922 -3.337 1.00 0.00 H new ATOM 537 N LYS A 583 4.436 -4.495 -2.079 1.00 0.00 N ATOM 538 CA LYS A 583 5.200 -3.311 -2.442 1.00 0.00 C ATOM 539 C LYS A 583 6.003 -2.827 -1.243 1.00 0.00 C ATOM 540 O LYS A 583 7.200 -2.563 -1.344 1.00 0.00 O ATOM 541 CB LYS A 583 4.268 -2.194 -2.935 1.00 0.00 C ATOM 542 CG LYS A 583 5.026 -0.969 -3.414 1.00 0.00 C ATOM 543 CD LYS A 583 4.116 0.202 -3.751 1.00 0.00 C ATOM 544 CE LYS A 583 4.953 1.430 -4.074 1.00 0.00 C ATOM 545 NZ LYS A 583 4.139 2.643 -4.339 1.00 0.00 N ATOM 0 H LYS A 583 3.426 -4.353 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 583 5.882 -3.572 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.649 -2.575 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.593 -1.907 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.733 -0.662 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.611 -1.233 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.482 -0.051 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.454 0.413 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.629 1.629 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.573 1.220 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.745 3.487 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.720 2.579 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 3.381 2.714 -3.630 1.00 0.00 H new ATOM 559 N LEU A 584 5.332 -2.729 -0.104 1.00 0.00 N ATOM 560 CA LEU A 584 5.968 -2.315 1.133 1.00 0.00 C ATOM 561 C LEU A 584 7.057 -3.315 1.515 1.00 0.00 C ATOM 562 O LEU A 584 8.172 -2.925 1.845 1.00 0.00 O ATOM 563 CB LEU A 584 4.909 -2.181 2.241 1.00 0.00 C ATOM 564 CG LEU A 584 5.385 -1.556 3.563 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.056 -2.595 4.448 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.336 -0.396 3.290 1.00 0.00 C ATOM 0 H LEU A 584 4.337 -2.934 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 584 6.440 -1.342 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.084 -1.581 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.510 -3.172 2.455 1.00 0.00 H new ATOM 0 HG LEU A 584 4.511 -1.176 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.383 -2.126 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.348 -3.392 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.919 -3.012 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.664 0.036 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.202 -0.758 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.822 0.365 2.702 1.00 0.00 H new ATOM 578 N GLU A 585 6.727 -4.601 1.442 1.00 0.00 N ATOM 579 CA GLU A 585 7.691 -5.667 1.708 1.00 0.00 C ATOM 580 C GLU A 585 8.926 -5.520 0.819 1.00 0.00 C ATOM 581 O GLU A 585 10.059 -5.695 1.271 1.00 0.00 O ATOM 582 CB GLU A 585 7.043 -7.030 1.461 1.00 0.00 C ATOM 583 CG GLU A 585 5.943 -7.379 2.451 1.00 0.00 C ATOM 584 CD GLU A 585 6.482 -7.748 3.816 1.00 0.00 C ATOM 585 OE1 GLU A 585 6.926 -8.904 3.984 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.466 -6.893 4.725 1.00 0.00 O ATOM 0 H GLU A 585 5.794 -4.933 1.199 1.00 0.00 H new ATOM 0 HA GLU A 585 8.001 -5.593 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.629 -7.047 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.813 -7.800 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.266 -6.531 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.357 -8.211 2.059 1.00 0.00 H new ATOM 593 N ALA A 586 8.694 -5.169 -0.441 1.00 0.00 N ATOM 594 CA ALA A 586 9.768 -5.033 -1.414 1.00 0.00 C ATOM 595 C ALA A 586 10.645 -3.834 -1.082 1.00 0.00 C ATOM 596 O ALA A 586 11.870 -3.935 -1.038 1.00 0.00 O ATOM 597 CB ALA A 586 9.192 -4.894 -2.816 1.00 0.00 C ATOM 0 H ALA A 586 7.765 -4.973 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 586 10.385 -5.931 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 586 10.005 -4.793 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.603 -5.779 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.555 -4.011 -2.862 1.00 0.00 H new ATOM 603 N LEU A 587 10.005 -2.705 -0.825 1.00 0.00 N ATOM 604 CA LEU A 587 10.714 -1.470 -0.531 1.00 0.00 C ATOM 605 C LEU A 587 11.427 -1.548 0.816 1.00 0.00 C ATOM 606 O LEU A 587 12.577 -1.137 0.933 1.00 0.00 O ATOM 607 CB LEU A 587 9.741 -0.293 -0.563 1.00 0.00 C ATOM 608 CG LEU A 587 9.116 -0.038 -1.936 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.979 0.957 -1.827 1.00 0.00 C ATOM 610 CD2 LEU A 587 10.169 0.462 -2.914 1.00 0.00 C ATOM 0 H LEU A 587 8.989 -2.618 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 587 11.476 -1.319 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.945 -0.474 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.265 0.607 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 587 8.714 -0.979 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.547 1.126 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.214 0.563 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.357 1.899 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.708 0.639 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.599 1.392 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.955 -0.286 -3.016 1.00 0.00 H new ATOM 622 N GLN A 588 10.760 -2.114 1.815 1.00 0.00 N ATOM 623 CA GLN A 588 11.336 -2.221 3.152 1.00 0.00 C ATOM 624 C GLN A 588 12.563 -3.125 3.158 1.00 0.00 C ATOM 625 O GLN A 588 13.465 -2.938 3.962 1.00 0.00 O ATOM 626 CB GLN A 588 10.299 -2.737 4.155 1.00 0.00 C ATOM 627 CG GLN A 588 9.444 -1.639 4.773 1.00 0.00 C ATOM 628 CD GLN A 588 10.183 -0.856 5.847 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.406 -0.720 5.809 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.445 -0.326 6.812 1.00 0.00 N ATOM 0 H GLN A 588 9.822 -2.505 1.726 1.00 0.00 H new ATOM 0 HA GLN A 588 11.647 -1.221 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.648 -3.453 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.813 -3.276 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.117 -0.955 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.547 -2.082 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 588 8.434 -0.459 6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 588 9.888 0.215 7.555 1.00 0.00 H new ATOM 639 N THR A 589 12.605 -4.098 2.256 1.00 0.00 N ATOM 640 CA THR A 589 13.744 -5.003 2.186 1.00 0.00 C ATOM 641 C THR A 589 14.910 -4.343 1.443 1.00 0.00 C ATOM 642 O THR A 589 16.068 -4.712 1.634 1.00 0.00 O ATOM 643 CB THR A 589 13.358 -6.351 1.525 1.00 0.00 C ATOM 644 OG1 THR A 589 14.208 -7.402 2.005 1.00 0.00 O ATOM 645 CG2 THR A 589 13.461 -6.282 0.008 1.00 0.00 C ATOM 0 H THR A 589 11.872 -4.279 1.570 1.00 0.00 H new ATOM 0 HA THR A 589 14.063 -5.219 3.206 1.00 0.00 H new ATOM 0 HB THR A 589 12.322 -6.559 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.953 -8.248 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.183 -7.245 -0.420 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.789 -5.510 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.485 -6.041 -0.277 1.00 0.00 H new ATOM 653 N GLN A 590 14.599 -3.359 0.604 1.00 0.00 N ATOM 654 CA GLN A 590 15.630 -2.542 -0.022 1.00 0.00 C ATOM 655 C GLN A 590 16.269 -1.676 1.045 1.00 0.00 C ATOM 656 O GLN A 590 17.485 -1.626 1.201 1.00 0.00 O ATOM 657 CB GLN A 590 15.033 -1.626 -1.091 1.00 0.00 C ATOM 658 CG GLN A 590 14.247 -2.330 -2.176 1.00 0.00 C ATOM 659 CD GLN A 590 15.076 -3.340 -2.946 1.00 0.00 C ATOM 660 OE1 GLN A 590 15.755 -2.992 -3.911 1.00 0.00 O ATOM 661 NE2 GLN A 590 15.001 -4.599 -2.543 1.00 0.00 N ATOM 0 H GLN A 590 13.645 -3.110 0.344 1.00 0.00 H new ATOM 0 HA GLN A 590 16.361 -3.201 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.380 -0.902 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.842 -1.063 -1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.392 -2.836 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.851 -1.588 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 590 14.425 -4.843 -1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 590 15.519 -5.325 -3.038 1.00 0.00 H new ATOM 670 N VAL A 591 15.398 -1.022 1.791 1.00 0.00 N ATOM 671 CA VAL A 591 15.775 -0.110 2.854 1.00 0.00 C ATOM 672 C VAL A 591 16.351 -0.879 4.046 1.00 0.00 C ATOM 673 O VAL A 591 17.032 -0.314 4.903 1.00 0.00 O ATOM 674 CB VAL A 591 14.529 0.706 3.268 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.851 1.760 4.310 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.906 1.344 2.035 1.00 0.00 C ATOM 0 H VAL A 591 14.389 -1.112 1.672 1.00 0.00 H new ATOM 0 HA VAL A 591 16.551 0.569 2.501 1.00 0.00 H new ATOM 0 HB VAL A 591 13.816 0.020 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.944 2.306 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.251 1.279 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.590 2.454 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.028 1.919 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.632 2.005 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.612 0.565 1.332 1.00 0.00 H new ATOM 686 N ALA A 592 16.087 -2.182 4.076 1.00 0.00 N ATOM 687 CA ALA A 592 16.634 -3.062 5.101 1.00 0.00 C ATOM 688 C ALA A 592 18.132 -3.271 4.897 1.00 0.00 C ATOM 689 O ALA A 592 18.848 -3.668 5.816 1.00 0.00 O ATOM 690 CB ALA A 592 15.916 -4.404 5.090 1.00 0.00 C ATOM 0 H ALA A 592 15.492 -2.654 3.395 1.00 0.00 H new ATOM 0 HA ALA A 592 16.480 -2.586 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.337 -5.048 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.855 -4.250 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.041 -4.876 4.115 1.00 0.00 H new ATOM 696 N ASP A 593 18.593 -3.010 3.682 1.00 0.00 N ATOM 697 CA ASP A 593 20.005 -3.156 3.346 1.00 0.00 C ATOM 698 C ASP A 593 20.784 -1.914 3.765 1.00 0.00 C ATOM 699 O ASP A 593 20.339 -0.786 3.558 1.00 0.00 O ATOM 700 CB ASP A 593 20.169 -3.402 1.847 1.00 0.00 C ATOM 701 CG ASP A 593 21.619 -3.566 1.447 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.169 -4.671 1.631 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.215 -2.591 0.959 1.00 0.00 O ATOM 0 H ASP A 593 18.008 -2.695 2.908 1.00 0.00 H new ATOM 0 HA ASP A 593 20.403 -4.014 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.613 -4.296 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.734 -2.569 1.295 1.00 0.00 H new ATOM 708 N ALA A 594 21.947 -2.131 4.363 1.00 0.00 N ATOM 709 CA ALA A 594 22.745 -1.040 4.915 1.00 0.00 C ATOM 710 C ALA A 594 23.422 -0.219 3.824 1.00 0.00 C ATOM 711 O ALA A 594 23.797 0.933 4.049 1.00 0.00 O ATOM 712 CB ALA A 594 23.778 -1.592 5.881 1.00 0.00 C ATOM 0 H ALA A 594 22.362 -3.055 4.480 1.00 0.00 H new ATOM 0 HA ALA A 594 22.070 -0.372 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.370 -0.772 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.274 -2.115 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.434 -2.286 5.355 1.00 0.00 H new ATOM 718 N SER A 595 23.575 -0.805 2.645 1.00 0.00 N ATOM 719 CA SER A 595 24.197 -0.111 1.529 1.00 0.00 C ATOM 720 C SER A 595 23.169 0.710 0.759 1.00 0.00 C ATOM 721 O SER A 595 23.524 1.468 -0.142 1.00 0.00 O ATOM 722 CB SER A 595 24.889 -1.109 0.599 1.00 0.00 C ATOM 723 OG SER A 595 25.871 -1.855 1.298 1.00 0.00 O ATOM 0 H SER A 595 23.277 -1.758 2.438 1.00 0.00 H new ATOM 0 HA SER A 595 24.947 0.572 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.150 -1.785 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.353 -0.577 -0.231 1.00 0.00 H new ATOM 0 HG SER A 595 26.299 -2.488 0.684 1.00 0.00 H new ATOM 729 N PHE A 596 21.898 0.556 1.121 1.00 0.00 N ATOM 730 CA PHE A 596 20.830 1.329 0.499 1.00 0.00 C ATOM 731 C PHE A 596 21.066 2.824 0.686 1.00 0.00 C ATOM 732 O PHE A 596 21.068 3.587 -0.278 1.00 0.00 O ATOM 733 CB PHE A 596 19.463 0.943 1.073 1.00 0.00 C ATOM 734 CG PHE A 596 18.383 1.926 0.730 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.911 2.035 -0.565 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.859 2.763 1.704 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.934 2.954 -0.881 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.886 3.685 1.391 1.00 0.00 C ATOM 739 CZ PHE A 596 16.422 3.781 0.099 1.00 0.00 C ATOM 0 H PHE A 596 21.584 -0.096 1.840 1.00 0.00 H new ATOM 0 HA PHE A 596 20.836 1.101 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.183 -0.041 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.541 0.861 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.312 1.394 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.219 2.690 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.569 3.027 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.487 4.332 2.158 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.658 4.503 -0.148 1.00 0.00 H new ATOM 749 N PHE A 597 21.287 3.232 1.929 1.00 0.00 N ATOM 750 CA PHE A 597 21.487 4.644 2.248 1.00 0.00 C ATOM 751 C PHE A 597 22.851 5.142 1.769 1.00 0.00 C ATOM 752 O PHE A 597 23.218 6.289 2.006 1.00 0.00 O ATOM 753 CB PHE A 597 21.360 4.877 3.752 1.00 0.00 C ATOM 754 CG PHE A 597 19.996 4.584 4.305 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.992 5.536 4.243 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.719 3.362 4.896 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.737 5.276 4.758 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.466 3.096 5.412 1.00 0.00 C ATOM 759 CZ PHE A 597 17.474 4.054 5.344 1.00 0.00 C ATOM 0 H PHE A 597 21.333 2.607 2.734 1.00 0.00 H new ATOM 0 HA PHE A 597 20.713 5.206 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.091 4.254 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.614 5.914 3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.193 6.494 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.491 2.609 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.963 6.027 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.262 2.139 5.869 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.494 3.848 5.749 1.00 0.00 H new ATOM 769 N SER A 598 23.598 4.276 1.098 1.00 0.00 N ATOM 770 CA SER A 598 24.886 4.657 0.544 1.00 0.00 C ATOM 771 C SER A 598 24.689 5.176 -0.877 1.00 0.00 C ATOM 772 O SER A 598 25.633 5.620 -1.534 1.00 0.00 O ATOM 773 CB SER A 598 25.847 3.460 0.568 1.00 0.00 C ATOM 774 OG SER A 598 27.160 3.831 0.183 1.00 0.00 O ATOM 0 H SER A 598 23.333 3.306 0.925 1.00 0.00 H new ATOM 0 HA SER A 598 25.326 5.450 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.869 3.032 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.477 2.684 -0.102 1.00 0.00 H new ATOM 0 HG SER A 598 27.115 4.485 -0.546 1.00 0.00 H new ATOM 780 N GLN A 599 23.444 5.113 -1.338 1.00 0.00 N ATOM 781 CA GLN A 599 23.073 5.623 -2.644 1.00 0.00 C ATOM 782 C GLN A 599 22.718 7.102 -2.566 1.00 0.00 C ATOM 783 O GLN A 599 22.456 7.630 -1.482 1.00 0.00 O ATOM 784 CB GLN A 599 21.897 4.827 -3.214 1.00 0.00 C ATOM 785 CG GLN A 599 22.314 3.556 -3.929 1.00 0.00 C ATOM 786 CD GLN A 599 23.285 3.822 -5.063 1.00 0.00 C ATOM 787 OE1 GLN A 599 22.880 4.083 -6.197 1.00 0.00 O ATOM 788 NE2 GLN A 599 24.574 3.743 -4.772 1.00 0.00 N ATOM 0 H GLN A 599 22.669 4.707 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 599 23.929 5.509 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.215 4.571 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.343 5.459 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.773 2.874 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.429 3.056 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 599 24.870 3.524 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 599 25.272 3.901 -5.499 1.00 0.00 H new ATOM 797 N PRO A 600 22.719 7.780 -3.723 1.00 0.00 N ATOM 798 CA PRO A 600 22.380 9.204 -3.822 1.00 0.00 C ATOM 799 C PRO A 600 20.977 9.514 -3.310 1.00 0.00 C ATOM 800 O PRO A 600 20.074 8.676 -3.356 1.00 0.00 O ATOM 801 CB PRO A 600 22.463 9.489 -5.325 1.00 0.00 C ATOM 802 CG PRO A 600 23.336 8.417 -5.872 1.00 0.00 C ATOM 803 CD PRO A 600 23.072 7.207 -5.030 1.00 0.00 C ATOM 0 HA PRO A 600 23.047 9.815 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.476 9.467 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.883 10.476 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.106 8.222 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.386 8.705 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.262 6.602 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.949 6.563 -4.964 1.00 0.00 H new ATOM 811 N HIS A 601 20.830 10.750 -2.840 1.00 0.00 N ATOM 812 CA HIS A 601 19.586 11.279 -2.278 1.00 0.00 C ATOM 813 C HIS A 601 18.405 11.048 -3.211 1.00 0.00 C ATOM 814 O HIS A 601 17.291 10.798 -2.760 1.00 0.00 O ATOM 815 CB HIS A 601 19.779 12.784 -2.044 1.00 0.00 C ATOM 816 CG HIS A 601 18.586 13.533 -1.518 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.489 13.979 -0.220 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.475 13.984 -2.150 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.375 14.674 -0.077 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.740 14.694 -1.234 1.00 0.00 N ATOM 0 H HIS A 601 21.590 11.430 -2.838 1.00 0.00 H new ATOM 0 HA HIS A 601 19.365 10.762 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.604 12.919 -1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.082 13.241 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.216 13.815 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.040 15.147 0.834 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.851 15.160 -1.417 1.00 0.00 H new ATOM 829 N GLU A 602 18.653 11.144 -4.506 1.00 0.00 N ATOM 830 CA GLU A 602 17.591 11.026 -5.490 1.00 0.00 C ATOM 831 C GLU A 602 17.103 9.582 -5.603 1.00 0.00 C ATOM 832 O GLU A 602 15.960 9.332 -5.981 1.00 0.00 O ATOM 833 CB GLU A 602 18.070 11.557 -6.839 1.00 0.00 C ATOM 834 CG GLU A 602 18.592 12.983 -6.750 1.00 0.00 C ATOM 835 CD GLU A 602 18.837 13.616 -8.104 1.00 0.00 C ATOM 836 OE1 GLU A 602 19.889 13.344 -8.716 1.00 0.00 O ATOM 837 OE2 GLU A 602 17.982 14.403 -8.555 1.00 0.00 O ATOM 0 H GLU A 602 19.580 11.303 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 602 16.744 11.628 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.857 10.908 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.248 11.518 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.876 13.591 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.522 12.988 -6.181 1.00 0.00 H new ATOM 844 N GLN A 603 17.964 8.636 -5.253 1.00 0.00 N ATOM 845 CA GLN A 603 17.589 7.227 -5.238 1.00 0.00 C ATOM 846 C GLN A 603 16.902 6.904 -3.934 1.00 0.00 C ATOM 847 O GLN A 603 15.790 6.381 -3.901 1.00 0.00 O ATOM 848 CB GLN A 603 18.820 6.324 -5.346 1.00 0.00 C ATOM 849 CG GLN A 603 19.784 6.705 -6.443 1.00 0.00 C ATOM 850 CD GLN A 603 19.163 6.583 -7.825 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.273 5.759 -8.048 1.00 0.00 O ATOM 852 NE2 GLN A 603 19.627 7.393 -8.759 1.00 0.00 N ATOM 0 H GLN A 603 18.928 8.818 -4.975 1.00 0.00 H new ATOM 0 HA GLN A 603 16.931 7.051 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.350 6.339 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.489 5.299 -5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.121 7.730 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.666 6.067 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.364 8.061 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.248 7.351 -9.705 1.00 0.00 H new ATOM 861 N THR A 604 17.588 7.240 -2.861 1.00 0.00 N ATOM 862 CA THR A 604 17.188 6.849 -1.534 1.00 0.00 C ATOM 863 C THR A 604 15.879 7.495 -1.123 1.00 0.00 C ATOM 864 O THR A 604 14.974 6.811 -0.649 1.00 0.00 O ATOM 865 CB THR A 604 18.291 7.201 -0.537 1.00 0.00 C ATOM 866 OG1 THR A 604 18.662 8.578 -0.683 1.00 0.00 O ATOM 867 CG2 THR A 604 19.506 6.317 -0.773 1.00 0.00 C ATOM 0 H THR A 604 18.443 7.795 -2.890 1.00 0.00 H new ATOM 0 HA THR A 604 17.029 5.771 -1.536 1.00 0.00 H new ATOM 0 HB THR A 604 17.918 7.035 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.254 8.677 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.288 6.574 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.226 5.272 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.876 6.471 -1.787 1.00 0.00 H new ATOM 875 N GLN A 605 15.766 8.798 -1.326 1.00 0.00 N ATOM 876 CA GLN A 605 14.551 9.504 -0.958 1.00 0.00 C ATOM 877 C GLN A 605 13.376 9.028 -1.794 1.00 0.00 C ATOM 878 O GLN A 605 12.247 9.027 -1.324 1.00 0.00 O ATOM 879 CB GLN A 605 14.706 11.017 -1.092 1.00 0.00 C ATOM 880 CG GLN A 605 15.691 11.628 -0.109 1.00 0.00 C ATOM 881 CD GLN A 605 15.704 10.929 1.237 1.00 0.00 C ATOM 882 OE1 GLN A 605 16.503 10.022 1.466 1.00 0.00 O ATOM 883 NE2 GLN A 605 14.813 11.332 2.129 1.00 0.00 N ATOM 0 H GLN A 605 16.493 9.382 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 605 14.358 9.279 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.029 11.250 -2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.732 11.485 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.692 11.593 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.443 12.679 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 605 14.168 12.088 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.772 10.887 3.046 1.00 0.00 H new ATOM 892 N LYS A 606 13.643 8.626 -3.031 1.00 0.00 N ATOM 893 CA LYS A 606 12.614 8.043 -3.870 1.00 0.00 C ATOM 894 C LYS A 606 12.088 6.781 -3.213 1.00 0.00 C ATOM 895 O LYS A 606 10.889 6.623 -3.018 1.00 0.00 O ATOM 896 CB LYS A 606 13.174 7.732 -5.261 1.00 0.00 C ATOM 897 CG LYS A 606 12.144 7.196 -6.242 1.00 0.00 C ATOM 898 CD LYS A 606 12.004 5.686 -6.138 1.00 0.00 C ATOM 899 CE LYS A 606 11.060 5.126 -7.194 1.00 0.00 C ATOM 900 NZ LYS A 606 9.629 5.415 -6.894 1.00 0.00 N ATOM 0 H LYS A 606 14.561 8.694 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 606 11.796 8.754 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.615 8.639 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.978 7.003 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.179 7.665 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.433 7.466 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 606 12.985 5.223 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.635 5.424 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.316 5.548 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 606 11.201 4.048 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 9.087 5.445 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 9.246 4.669 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 9.554 6.333 -6.412 1.00 0.00 H new ATOM 914 N VAL A 607 13.006 5.901 -2.851 1.00 0.00 N ATOM 915 CA VAL A 607 12.646 4.626 -2.248 1.00 0.00 C ATOM 916 C VAL A 607 12.008 4.828 -0.876 1.00 0.00 C ATOM 917 O VAL A 607 11.009 4.193 -0.551 1.00 0.00 O ATOM 918 CB VAL A 607 13.872 3.696 -2.118 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.478 2.364 -1.490 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.513 3.473 -3.480 1.00 0.00 C ATOM 0 H VAL A 607 14.009 6.045 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 607 11.920 4.153 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 607 14.599 4.178 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.358 1.726 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 607 13.063 2.538 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.731 1.874 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.376 2.816 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.788 3.014 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.835 4.430 -3.892 1.00 0.00 H new ATOM 930 N LEU A 608 12.582 5.724 -0.084 1.00 0.00 N ATOM 931 CA LEU A 608 12.071 6.017 1.253 1.00 0.00 C ATOM 932 C LEU A 608 10.678 6.639 1.193 1.00 0.00 C ATOM 933 O LEU A 608 9.791 6.270 1.966 1.00 0.00 O ATOM 934 CB LEU A 608 13.032 6.952 1.995 1.00 0.00 C ATOM 935 CG LEU A 608 14.403 6.357 2.315 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.291 7.395 2.982 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.263 5.129 3.202 1.00 0.00 C ATOM 0 H LEU A 608 13.407 6.265 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 608 11.997 5.074 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.175 7.850 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.562 7.263 2.928 1.00 0.00 H new ATOM 0 HG LEU A 608 14.870 6.052 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.263 6.954 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.422 8.246 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.826 7.730 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.251 4.721 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.774 5.408 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.664 4.376 2.690 1.00 0.00 H new ATOM 949 N ALA A 609 10.490 7.584 0.277 1.00 0.00 N ATOM 950 CA ALA A 609 9.204 8.248 0.115 1.00 0.00 C ATOM 951 C ALA A 609 8.176 7.286 -0.466 1.00 0.00 C ATOM 952 O ALA A 609 7.008 7.294 -0.069 1.00 0.00 O ATOM 953 CB ALA A 609 9.351 9.479 -0.769 1.00 0.00 C ATOM 0 H ALA A 609 11.214 7.907 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 609 8.853 8.570 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.382 9.965 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.054 10.174 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.723 9.181 -1.749 1.00 0.00 H new ATOM 959 N ASP A 610 8.626 6.452 -1.398 1.00 0.00 N ATOM 960 CA ASP A 610 7.777 5.442 -2.026 1.00 0.00 C ATOM 961 C ASP A 610 7.369 4.396 -0.994 1.00 0.00 C ATOM 962 O ASP A 610 6.217 3.970 -0.940 1.00 0.00 O ATOM 963 CB ASP A 610 8.533 4.779 -3.181 1.00 0.00 C ATOM 964 CG ASP A 610 7.626 4.143 -4.218 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.395 4.109 -4.012 1.00 0.00 O ATOM 966 OD2 ASP A 610 8.158 3.685 -5.257 1.00 0.00 O ATOM 0 H ASP A 610 9.587 6.456 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 610 6.878 5.918 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 610 9.161 5.525 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.199 4.017 -2.777 1.00 0.00 H new ATOM 971 N MET A 611 8.331 4.003 -0.161 1.00 0.00 N ATOM 972 CA MET A 611 8.086 3.061 0.926 1.00 0.00 C ATOM 973 C MET A 611 7.010 3.586 1.863 1.00 0.00 C ATOM 974 O MET A 611 6.045 2.887 2.175 1.00 0.00 O ATOM 975 CB MET A 611 9.381 2.801 1.706 1.00 0.00 C ATOM 976 CG MET A 611 9.171 2.042 3.002 1.00 0.00 C ATOM 977 SD MET A 611 10.708 1.760 3.896 1.00 0.00 S ATOM 978 CE MET A 611 11.196 3.443 4.260 1.00 0.00 C ATOM 0 H MET A 611 9.296 4.327 -0.221 1.00 0.00 H new ATOM 0 HA MET A 611 7.739 2.123 0.492 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.069 2.239 1.074 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.859 3.755 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.482 2.599 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.700 1.083 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.919 3.444 5.075 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.647 3.891 3.374 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.319 4.021 4.552 1.00 0.00 H new ATOM 988 N ALA A 612 7.170 4.830 2.290 1.00 0.00 N ATOM 989 CA ALA A 612 6.214 5.452 3.189 1.00 0.00 C ATOM 990 C ALA A 612 4.852 5.597 2.519 1.00 0.00 C ATOM 991 O ALA A 612 3.816 5.503 3.169 1.00 0.00 O ATOM 992 CB ALA A 612 6.729 6.804 3.655 1.00 0.00 C ATOM 0 H ALA A 612 7.954 5.427 2.027 1.00 0.00 H new ATOM 0 HA ALA A 612 6.094 4.808 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.002 7.258 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.676 6.672 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.880 7.453 2.792 1.00 0.00 H new ATOM 998 N ALA A 613 4.858 5.819 1.212 1.00 0.00 N ATOM 999 CA ALA A 613 3.619 5.938 0.453 1.00 0.00 C ATOM 1000 C ALA A 613 2.929 4.584 0.328 1.00 0.00 C ATOM 1001 O ALA A 613 1.704 4.506 0.286 1.00 0.00 O ATOM 1002 CB ALA A 613 3.892 6.525 -0.923 1.00 0.00 C ATOM 0 H ALA A 613 5.706 5.920 0.655 1.00 0.00 H new ATOM 0 HA ALA A 613 2.953 6.612 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.956 6.607 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.337 7.514 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.579 5.875 -1.466 1.00 0.00 H new ATOM 1008 N ALA A 614 3.724 3.522 0.281 1.00 0.00 N ATOM 1009 CA ALA A 614 3.196 2.170 0.150 1.00 0.00 C ATOM 1010 C ALA A 614 2.399 1.769 1.383 1.00 0.00 C ATOM 1011 O ALA A 614 1.242 1.366 1.275 1.00 0.00 O ATOM 1012 CB ALA A 614 4.322 1.179 -0.100 1.00 0.00 C ATOM 0 H ALA A 614 4.742 3.572 0.332 1.00 0.00 H new ATOM 0 HA ALA A 614 2.522 2.155 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.909 0.175 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.844 1.445 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.022 1.206 0.735 1.00 0.00 H new ATOM 1018 N GLU A 615 3.018 1.890 2.551 1.00 0.00 N ATOM 1019 CA GLU A 615 2.354 1.542 3.801 1.00 0.00 C ATOM 1020 C GLU A 615 1.156 2.452 4.048 1.00 0.00 C ATOM 1021 O GLU A 615 0.081 1.974 4.401 1.00 0.00 O ATOM 1022 CB GLU A 615 3.338 1.599 4.971 1.00 0.00 C ATOM 1023 CG GLU A 615 4.143 2.886 5.041 1.00 0.00 C ATOM 1024 CD GLU A 615 5.097 2.905 6.212 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.149 2.238 6.141 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.798 3.585 7.216 1.00 0.00 O ATOM 0 H GLU A 615 3.975 2.225 2.659 1.00 0.00 H new ATOM 0 HA GLU A 615 1.987 0.519 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.786 1.477 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.025 0.756 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.705 3.010 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.462 3.734 5.117 1.00 0.00 H new ATOM 1033 N GLN A 616 1.327 3.752 3.824 1.00 0.00 N ATOM 1034 CA GLN A 616 0.225 4.696 3.992 1.00 0.00 C ATOM 1035 C GLN A 616 -0.953 4.319 3.105 1.00 0.00 C ATOM 1036 O GLN A 616 -2.091 4.284 3.566 1.00 0.00 O ATOM 1037 CB GLN A 616 0.661 6.129 3.690 1.00 0.00 C ATOM 1038 CG GLN A 616 1.502 6.757 4.787 1.00 0.00 C ATOM 1039 CD GLN A 616 0.814 6.724 6.139 1.00 0.00 C ATOM 1040 OE1 GLN A 616 0.999 5.788 6.919 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.003 7.731 6.417 1.00 0.00 N ATOM 0 H GLN A 616 2.208 4.173 3.529 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.085 4.645 5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.229 6.138 2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.225 6.742 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.455 6.232 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.726 7.790 4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -0.122 8.486 5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -0.498 7.752 7.305 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.671 4.017 1.839 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.713 3.643 0.890 1.00 0.00 C ATOM 1052 C GLU A 617 -2.366 2.332 1.314 1.00 0.00 C ATOM 1053 O GLU A 617 -3.585 2.192 1.270 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.126 3.501 -0.519 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.172 3.382 -1.616 1.00 0.00 C ATOM 1056 CD GLU A 617 -2.915 4.678 -1.857 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.339 5.582 -2.499 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.071 4.807 -1.406 1.00 0.00 O ATOM 0 H GLU A 617 0.271 4.025 1.448 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.468 4.429 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.493 4.364 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.484 2.621 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.688 3.068 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.886 2.603 -1.349 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.539 1.389 1.748 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.008 0.068 2.140 1.00 0.00 C ATOM 1067 C LEU A 618 -3.053 0.138 3.252 1.00 0.00 C ATOM 1068 O LEU A 618 -4.128 -0.449 3.136 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.825 -0.795 2.585 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.183 -2.204 3.062 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.966 -2.949 1.997 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.069 -2.979 3.424 1.00 0.00 C ATOM 0 H LEU A 618 -0.531 1.518 1.837 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.485 -0.384 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.125 -0.878 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.303 -0.279 3.391 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.807 -2.111 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.210 -3.948 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.886 -2.408 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.365 -3.027 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.206 -3.978 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.715 -3.056 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.600 -2.460 4.222 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.745 0.863 4.318 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.621 0.886 5.484 1.00 0.00 C ATOM 1086 C GLU A 619 -4.917 1.628 5.190 1.00 0.00 C ATOM 1087 O GLU A 619 -5.992 1.175 5.574 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.934 1.525 6.679 1.00 0.00 C ATOM 1089 CG GLU A 619 -1.459 1.195 6.780 1.00 0.00 C ATOM 1090 CD GLU A 619 -0.885 1.537 8.136 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.666 2.738 8.409 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.669 0.609 8.942 1.00 0.00 O ATOM 0 H GLU A 619 -1.906 1.437 4.401 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.855 -0.151 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.052 2.607 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -3.434 1.199 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.313 0.133 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -0.914 1.740 6.009 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.822 2.766 4.514 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.023 3.533 4.182 1.00 0.00 C ATOM 1101 C GLN A 620 -6.905 2.754 3.212 1.00 0.00 C ATOM 1102 O GLN A 620 -8.133 2.843 3.265 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.684 4.909 3.603 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.782 4.869 2.387 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.517 6.247 1.812 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -5.363 7.139 1.886 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -3.343 6.429 1.238 1.00 0.00 N ATOM 0 H GLN A 620 -3.946 3.175 4.189 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.570 3.694 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.611 5.416 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.204 5.508 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.834 4.404 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.238 4.241 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -2.671 5.663 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -3.108 7.336 0.834 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.275 1.984 2.335 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.008 1.124 1.425 1.00 0.00 C ATOM 1118 C ALA A 621 -7.662 -0.013 2.201 1.00 0.00 C ATOM 1119 O ALA A 621 -8.786 -0.414 1.907 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.091 0.580 0.342 1.00 0.00 C ATOM 0 H ALA A 621 -5.261 1.939 2.237 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.788 1.711 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.661 -0.062 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.665 1.408 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.288 0.003 0.801 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.950 -0.517 3.201 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.485 -1.539 4.091 1.00 0.00 C ATOM 1128 C PHE A 622 -8.711 -1.015 4.834 1.00 0.00 C ATOM 1129 O PHE A 622 -9.744 -1.683 4.900 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.422 -1.973 5.098 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.900 -3.363 4.871 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.694 -4.467 5.143 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.615 -3.568 4.396 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.216 -5.748 4.941 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.132 -4.847 4.193 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.933 -5.938 4.466 1.00 0.00 C ATOM 0 H PHE A 622 -5.995 -0.232 3.417 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.778 -2.397 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.589 -1.271 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.841 -1.912 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.697 -4.324 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.983 -2.719 4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.845 -6.600 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.129 -4.993 3.821 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.557 -6.938 4.308 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.585 0.188 5.389 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.687 0.842 6.083 1.00 0.00 C ATOM 1148 C GLU A 623 -10.875 1.028 5.145 1.00 0.00 C ATOM 1149 O GLU A 623 -12.029 0.877 5.550 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.236 2.197 6.632 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.203 2.100 7.743 1.00 0.00 C ATOM 1152 CD GLU A 623 -8.740 1.409 8.977 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -9.464 2.058 9.764 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.447 0.215 9.167 1.00 0.00 O ATOM 0 H GLU A 623 -7.722 0.732 5.370 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.996 0.208 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.822 2.789 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.107 2.735 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.331 1.557 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.866 3.102 8.009 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.584 1.364 3.892 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.611 1.440 2.861 1.00 0.00 C ATOM 1163 C ARG A 624 -12.281 0.084 2.708 1.00 0.00 C ATOM 1164 O ARG A 624 -13.500 -0.030 2.776 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.000 1.845 1.516 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.022 2.078 0.412 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.658 3.452 0.525 1.00 0.00 C ATOM 1168 NE ARG A 624 -11.659 4.511 0.404 1.00 0.00 N ATOM 1169 CZ ARG A 624 -11.938 5.808 0.373 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -13.195 6.230 0.456 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -10.952 6.682 0.255 1.00 0.00 N ATOM 0 H ARG A 624 -9.644 1.588 3.567 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.343 2.190 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.417 2.755 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.306 1.067 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.539 1.978 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.796 1.312 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.413 3.571 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.170 3.540 1.483 1.00 0.00 H new ATOM 0 HE ARG A 624 -10.679 4.234 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.955 5.555 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -13.400 7.229 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -9.987 6.357 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -11.156 7.681 0.230 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.455 -0.937 2.528 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.924 -2.290 2.274 1.00 0.00 C ATOM 1187 C TRP A 625 -12.843 -2.798 3.382 1.00 0.00 C ATOM 1188 O TRP A 625 -13.957 -3.245 3.111 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.737 -3.240 2.109 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.165 -4.645 1.840 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.708 -5.125 0.686 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.110 -5.746 2.750 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.993 -6.462 0.821 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.635 -6.866 2.081 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.664 -5.893 4.067 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.730 -8.115 2.689 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.758 -7.132 4.669 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.288 -8.230 3.981 1.00 0.00 C ATOM 0 H TRP A 625 -10.439 -0.849 2.554 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.503 -2.262 1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.108 -2.892 1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.127 -3.215 3.012 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.888 -4.540 -0.204 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.404 -7.057 0.101 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.253 -5.051 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.138 -8.964 2.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.417 -7.256 5.686 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.350 -9.187 4.478 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.379 -2.730 4.623 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.151 -3.240 5.747 1.00 0.00 C ATOM 1211 C GLU A 626 -14.430 -2.428 5.935 1.00 0.00 C ATOM 1212 O GLU A 626 -15.454 -2.957 6.366 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.304 -3.245 7.019 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.048 -4.094 6.889 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.297 -4.260 8.193 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.617 -3.309 8.618 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.357 -5.356 8.789 1.00 0.00 O ATOM 0 H GLU A 626 -11.476 -2.328 4.875 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.440 -4.269 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.021 -2.222 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.905 -3.618 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.321 -5.078 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.386 -3.639 6.152 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.370 -1.150 5.585 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.561 -0.311 5.562 1.00 0.00 C ATOM 1226 C TYR A 627 -16.523 -0.800 4.488 1.00 0.00 C ATOM 1227 O TYR A 627 -17.721 -0.908 4.727 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.184 1.157 5.320 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.261 1.993 4.655 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.510 2.182 5.242 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.019 2.601 3.429 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.479 2.948 4.622 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.984 3.368 2.807 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.211 3.537 3.407 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.175 4.304 2.792 1.00 0.00 O ATOM 0 H TYR A 627 -13.511 -0.672 5.313 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.054 -0.379 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.929 1.614 6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.287 1.189 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.724 1.723 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.058 2.471 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.443 3.084 5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.777 3.833 1.854 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.827 4.648 1.943 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.992 -1.107 3.316 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.812 -1.585 2.214 1.00 0.00 C ATOM 1247 C LEU A 628 -17.466 -2.917 2.578 1.00 0.00 C ATOM 1248 O LEU A 628 -18.633 -3.152 2.266 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.974 -1.719 0.936 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.271 -0.436 0.481 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.545 -0.657 -0.835 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.264 0.708 0.360 1.00 0.00 C ATOM 0 H LEU A 628 -14.997 -1.034 3.103 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.600 -0.856 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.221 -2.491 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.622 -2.065 0.130 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.532 -0.168 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.053 0.267 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.799 -1.442 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.262 -0.955 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.743 1.609 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.030 0.449 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.732 0.888 1.328 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.706 -3.782 3.246 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.236 -5.039 3.762 1.00 0.00 C ATOM 1266 C GLU A 629 -18.364 -4.794 4.757 1.00 0.00 C ATOM 1267 O GLU A 629 -19.468 -5.327 4.604 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.130 -5.861 4.428 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.313 -6.699 3.455 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.172 -7.679 2.682 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -17.155 -8.202 3.259 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.873 -7.940 1.502 1.00 0.00 O ATOM 0 H GLU A 629 -15.716 -3.633 3.443 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.635 -5.599 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.461 -5.186 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.578 -6.520 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.797 -6.041 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.546 -7.245 4.004 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.082 -3.975 5.761 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.032 -3.687 6.828 1.00 0.00 C ATOM 1281 C ALA A 630 -20.253 -2.931 6.314 1.00 0.00 C ATOM 1282 O ALA A 630 -21.358 -3.112 6.820 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.349 -2.885 7.918 1.00 0.00 C ATOM 0 H ALA A 630 -17.189 -3.492 5.859 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.379 -4.638 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.062 -2.672 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.515 -3.458 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.978 -1.948 7.502 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.052 -2.088 5.309 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.141 -1.297 4.751 1.00 0.00 C ATOM 1291 C LEU A 631 -22.209 -2.196 4.148 1.00 0.00 C ATOM 1292 O LEU A 631 -23.392 -1.866 4.167 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.632 -0.339 3.684 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.631 0.749 3.303 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.808 1.719 4.455 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.176 1.472 2.060 1.00 0.00 C ATOM 0 H LEU A 631 -19.147 -1.935 4.864 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.575 -0.720 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.715 0.131 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.373 -0.909 2.792 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.594 0.284 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.523 2.492 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.179 1.183 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.850 2.181 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.901 2.245 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.204 1.932 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.094 0.763 1.236 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.784 -3.336 3.618 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.715 -4.299 3.047 1.00 0.00 C ATOM 1310 C LYS A 632 -23.582 -4.908 4.142 1.00 0.00 C ATOM 1311 O LYS A 632 -24.675 -5.411 3.883 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.969 -5.426 2.332 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.183 -4.981 1.117 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.522 -6.157 0.407 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.286 -6.668 1.143 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.604 -7.375 2.415 1.00 0.00 N ATOM 0 H LYS A 632 -20.804 -3.615 3.572 1.00 0.00 H new ATOM 0 HA LYS A 632 -23.339 -3.768 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -21.287 -5.899 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -22.689 -6.185 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -21.847 -4.465 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -20.420 -4.264 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -21.243 -6.969 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -20.241 -5.856 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -18.736 -7.344 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.627 -5.827 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.863 -8.076 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.651 -6.686 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -20.521 -7.857 2.324 1.00 0.00 H new ATOM 1330 N ASN A 633 -23.074 -4.863 5.365 1.00 0.00 N ATOM 1331 CA ASN A 633 -23.738 -5.479 6.504 1.00 0.00 C ATOM 1332 C ASN A 633 -24.672 -4.488 7.183 1.00 0.00 C ATOM 1333 O ASN A 633 -25.748 -4.856 7.656 1.00 0.00 O ATOM 1334 CB ASN A 633 -22.692 -5.989 7.503 1.00 0.00 C ATOM 1335 CG ASN A 633 -21.826 -7.100 6.933 1.00 0.00 C ATOM 1336 OD1 ASN A 633 -20.640 -7.203 7.249 1.00 0.00 O ATOM 1337 ND2 ASN A 633 -22.407 -7.950 6.099 1.00 0.00 N ATOM 0 H ASN A 633 -22.194 -4.401 5.595 1.00 0.00 H new ATOM 0 HA ASN A 633 -24.332 -6.320 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 633 -22.055 -5.160 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 633 -23.198 -6.351 8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 633 -21.870 -8.719 5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 633 -23.392 -7.836 5.858 1.00 0.00 H new ATOM 1344 N GLY A 634 -24.266 -3.226 7.212 1.00 0.00 N ATOM 1345 CA GLY A 634 -25.075 -2.201 7.835 1.00 0.00 C ATOM 1346 C GLY A 634 -25.189 -0.961 6.976 1.00 0.00 C ATOM 1347 O GLY A 634 -24.489 0.026 7.204 1.00 0.00 O ATOM 0 H GLY A 634 -23.388 -2.894 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 634 -26.071 -2.597 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 634 -24.641 -1.934 8.799 1.00 0.00 H new ATOM 1351 N GLY A 635 -26.078 -1.004 5.995 1.00 0.00 N ATOM 1352 CA GLY A 635 -26.246 0.120 5.094 1.00 0.00 C ATOM 1353 C GLY A 635 -27.601 0.784 5.254 1.00 0.00 C ATOM 1354 O GLY A 635 -28.126 1.327 4.258 1.00 0.00 O ATOM 1355 OXT GLY A 635 -28.150 0.757 6.378 1.00 0.00 O ATOM 0 H GLY A 635 -26.688 -1.799 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -25.460 0.852 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -26.129 -0.220 4.065 1.00 0.00 H new TER 1359 GLY A 635