USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 542 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=0) USER MOD Single : A 543 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 TYR OH : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 77:sc= 0.957 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 CYS SG : rot 104:sc= -0.0831 USER MOD Single : A 564 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.5!) USER MOD Single : A 570 MET CE :methyl -114:sc= -4.18! (180deg=-11.3!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.062) USER MOD Single : A 581 GLN : amide:sc= -2.64! C(o=-2.6!,f=-5!) USER MOD Single : A 588 SER OG : rot -63:sc= 0.887 USER MOD Single : A 589 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 592 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 593 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 -4.736 16.463 -9.751 1.00 33.33 N ATOM 2 CA GLY A 540 -4.003 17.236 -8.765 1.00 51.11 C ATOM 3 C GLY A 540 -2.972 18.151 -9.396 1.00 12.42 C ATOM 4 O GLY A 540 -1.766 17.935 -9.281 1.00 3.33 O ATOM 0 HA2 GLY A 540 -4.704 17.832 -8.181 1.00 51.11 H new ATOM 0 HA3 GLY A 540 -3.506 16.557 -8.072 1.00 51.11 H new ATOM 8 N PRO A 541 -3.449 19.201 -10.083 1.00 65.41 N ATOM 9 CA PRO A 541 -2.576 20.172 -10.750 1.00 20.23 C ATOM 10 C PRO A 541 -1.814 21.043 -9.757 1.00 2.14 C ATOM 11 O PRO A 541 -0.720 21.527 -10.052 1.00 33.42 O ATOM 12 CB PRO A 541 -3.551 21.022 -11.567 1.00 51.32 C ATOM 13 CG PRO A 541 -4.851 20.903 -10.849 1.00 54.50 C ATOM 14 CD PRO A 541 -4.875 19.520 -10.261 1.00 1.10 C ATOM 0 HA PRO A 541 -1.807 19.685 -11.350 1.00 20.23 H new ATOM 0 HB2 PRO A 541 -3.222 22.060 -11.621 1.00 51.32 H new ATOM 0 HB3 PRO A 541 -3.630 20.659 -12.592 1.00 51.32 H new ATOM 0 HG2 PRO A 541 -4.937 21.660 -10.069 1.00 54.50 H new ATOM 0 HG3 PRO A 541 -5.688 21.052 -11.531 1.00 54.50 H new ATOM 0 HD2 PRO A 541 -5.414 19.495 -9.314 1.00 1.10 H new ATOM 0 HD3 PRO A 541 -5.366 18.809 -10.926 1.00 1.10 H new ATOM 22 N HIS A 542 -2.397 21.239 -8.578 1.00 13.40 N ATOM 23 CA HIS A 542 -1.771 22.052 -7.542 1.00 11.04 C ATOM 24 C HIS A 542 -1.006 21.176 -6.553 1.00 54.45 C ATOM 25 O HIS A 542 0.217 21.269 -6.446 1.00 54.11 O ATOM 26 CB HIS A 542 -2.827 22.873 -6.802 1.00 2.15 C ATOM 27 CG HIS A 542 -2.277 24.101 -6.143 1.00 11.33 C ATOM 28 ND1 HIS A 542 -3.076 25.076 -5.583 1.00 1.31 N ATOM 29 CD2 HIS A 542 -1.001 24.508 -5.954 1.00 45.13 C ATOM 30 CE1 HIS A 542 -2.313 26.031 -5.080 1.00 2.32 C ATOM 31 NE2 HIS A 542 -1.049 25.711 -5.292 1.00 34.53 N ATOM 0 H HIS A 542 -3.301 20.846 -8.317 1.00 13.40 H new ATOM 0 HA HIS A 542 -1.065 22.730 -8.022 1.00 11.04 H new ATOM 0 HB2 HIS A 542 -3.606 23.166 -7.505 1.00 2.15 H new ATOM 0 HB3 HIS A 542 -3.299 22.246 -6.046 1.00 2.15 H new ATOM 0 HD2 HIS A 542 -0.109 23.984 -6.266 1.00 45.13 H new ATOM 0 HE1 HIS A 542 -2.664 26.922 -4.580 1.00 2.32 H new ATOM 0 HE2 HIS A 542 -0.241 26.266 -5.010 1.00 34.53 H new ATOM 40 N MET A 543 -1.734 20.329 -5.834 1.00 73.44 N ATOM 41 CA MET A 543 -1.123 19.437 -4.856 1.00 11.34 C ATOM 42 C MET A 543 -0.819 18.076 -5.474 1.00 54.33 C ATOM 43 O MET A 543 -1.728 17.295 -5.753 1.00 41.13 O ATOM 44 CB MET A 543 -2.043 19.266 -3.645 1.00 4.25 C ATOM 45 CG MET A 543 -2.473 20.582 -3.019 1.00 14.24 C ATOM 46 SD MET A 543 -1.084 21.528 -2.365 1.00 63.20 S ATOM 47 CE MET A 543 -1.830 22.271 -0.917 1.00 71.51 C ATOM 0 H MET A 543 -2.747 20.241 -5.910 1.00 73.44 H new ATOM 0 HA MET A 543 -0.184 19.885 -4.530 1.00 11.34 H new ATOM 0 HB2 MET A 543 -2.930 18.710 -3.949 1.00 4.25 H new ATOM 0 HB3 MET A 543 -1.532 18.665 -2.893 1.00 4.25 H new ATOM 0 HG2 MET A 543 -2.996 21.181 -3.765 1.00 14.24 H new ATOM 0 HG3 MET A 543 -3.182 20.383 -2.216 1.00 14.24 H new ATOM 0 HE1 MET A 543 -1.093 22.888 -0.404 1.00 71.51 H new ATOM 0 HE2 MET A 543 -2.674 22.890 -1.220 1.00 71.51 H new ATOM 0 HE3 MET A 543 -2.178 21.487 -0.244 1.00 71.51 H new ATOM 57 N GLY A 544 0.464 17.800 -5.687 1.00 32.11 N ATOM 58 CA GLY A 544 0.863 16.533 -6.271 1.00 50.24 C ATOM 59 C GLY A 544 2.240 16.093 -5.817 1.00 74.43 C ATOM 60 O GLY A 544 2.929 15.359 -6.525 1.00 33.41 O ATOM 0 H GLY A 544 1.234 18.431 -5.466 1.00 32.11 H new ATOM 0 HA2 GLY A 544 0.134 15.768 -6.004 1.00 50.24 H new ATOM 0 HA3 GLY A 544 0.852 16.618 -7.358 1.00 50.24 H new ATOM 64 N ASP A 545 2.642 16.543 -4.634 1.00 43.23 N ATOM 65 CA ASP A 545 3.947 16.192 -4.085 1.00 44.14 C ATOM 66 C ASP A 545 4.001 14.713 -3.716 1.00 13.30 C ATOM 67 O ASP A 545 5.046 14.071 -3.827 1.00 2.04 O ATOM 68 CB ASP A 545 4.255 17.049 -2.856 1.00 71.34 C ATOM 69 CG ASP A 545 3.780 18.479 -3.015 1.00 42.52 C ATOM 70 OD1 ASP A 545 4.415 19.235 -3.781 1.00 50.42 O ATOM 71 OD2 ASP A 545 2.773 18.844 -2.373 1.00 52.51 O ATOM 0 H ASP A 545 2.083 17.152 -4.036 1.00 43.23 H new ATOM 0 HA ASP A 545 4.699 16.385 -4.850 1.00 44.14 H new ATOM 0 HB2 ASP A 545 3.781 16.607 -1.980 1.00 71.34 H new ATOM 0 HB3 ASP A 545 5.330 17.044 -2.673 1.00 71.34 H new ATOM 77 N LEU A 546 2.867 14.177 -3.274 1.00 43.13 N ATOM 78 CA LEU A 546 2.785 12.774 -2.886 1.00 74.10 C ATOM 79 C LEU A 546 3.218 11.865 -4.033 1.00 40.31 C ATOM 80 O LEU A 546 3.663 10.740 -3.812 1.00 35.24 O ATOM 81 CB LEU A 546 1.358 12.426 -2.456 1.00 62.21 C ATOM 82 CG LEU A 546 1.009 12.712 -0.995 1.00 64.31 C ATOM 83 CD1 LEU A 546 1.767 11.771 -0.072 1.00 23.31 C ATOM 84 CD2 LEU A 546 1.313 14.161 -0.648 1.00 40.52 C ATOM 0 H LEU A 546 1.993 14.693 -3.176 1.00 43.13 H new ATOM 0 HA LEU A 546 3.461 12.615 -2.046 1.00 74.10 H new ATOM 0 HB2 LEU A 546 0.664 12.979 -3.089 1.00 62.21 H new ATOM 0 HB3 LEU A 546 1.190 11.366 -2.648 1.00 62.21 H new ATOM 0 HG LEU A 546 -0.059 12.543 -0.856 1.00 64.31 H new ATOM 0 HD11 LEU A 546 1.506 11.989 0.964 1.00 23.31 H new ATOM 0 HD12 LEU A 546 1.500 10.740 -0.304 1.00 23.31 H new ATOM 0 HD13 LEU A 546 2.839 11.908 -0.213 1.00 23.31 H new ATOM 0 HD21 LEU A 546 1.058 14.346 0.396 1.00 40.52 H new ATOM 0 HD22 LEU A 546 2.374 14.357 -0.803 1.00 40.52 H new ATOM 0 HD23 LEU A 546 0.725 14.819 -1.287 1.00 40.52 H new ATOM 96 N ALA A 547 3.087 12.364 -5.258 1.00 12.44 N ATOM 97 CA ALA A 547 3.469 11.600 -6.439 1.00 71.30 C ATOM 98 C ALA A 547 4.894 11.073 -6.315 1.00 12.21 C ATOM 99 O ALA A 547 5.200 9.969 -6.764 1.00 63.13 O ATOM 100 CB ALA A 547 3.327 12.455 -7.689 1.00 32.22 C ATOM 0 H ALA A 547 2.719 13.294 -5.458 1.00 12.44 H new ATOM 0 HA ALA A 547 2.799 10.744 -6.520 1.00 71.30 H new ATOM 0 HB1 ALA A 547 3.616 11.872 -8.563 1.00 32.22 H new ATOM 0 HB2 ALA A 547 2.291 12.777 -7.794 1.00 32.22 H new ATOM 0 HB3 ALA A 547 3.973 13.329 -7.607 1.00 32.22 H new ATOM 106 N LYS A 548 5.763 11.871 -5.703 1.00 24.11 N ATOM 107 CA LYS A 548 7.158 11.486 -5.518 1.00 34.11 C ATOM 108 C LYS A 548 7.278 10.341 -4.517 1.00 74.42 C ATOM 109 O LYS A 548 8.174 9.504 -4.624 1.00 33.11 O ATOM 110 CB LYS A 548 7.980 12.684 -5.040 1.00 32.34 C ATOM 111 CG LYS A 548 9.474 12.416 -4.993 1.00 40.41 C ATOM 112 CD LYS A 548 10.273 13.709 -4.990 1.00 14.41 C ATOM 113 CE LYS A 548 10.340 14.319 -3.598 1.00 32.13 C ATOM 114 NZ LYS A 548 11.462 13.754 -2.799 1.00 0.50 N ATOM 0 H LYS A 548 5.526 12.789 -5.326 1.00 24.11 H new ATOM 0 HA LYS A 548 7.546 11.148 -6.479 1.00 34.11 H new ATOM 0 HB2 LYS A 548 7.792 13.530 -5.701 1.00 32.34 H new ATOM 0 HB3 LYS A 548 7.640 12.974 -4.046 1.00 32.34 H new ATOM 0 HG2 LYS A 548 9.713 11.838 -4.101 1.00 40.41 H new ATOM 0 HG3 LYS A 548 9.763 11.811 -5.852 1.00 40.41 H new ATOM 0 HD2 LYS A 548 11.283 13.515 -5.352 1.00 14.41 H new ATOM 0 HD3 LYS A 548 9.818 14.421 -5.679 1.00 14.41 H new ATOM 0 HE2 LYS A 548 10.460 15.399 -3.680 1.00 32.13 H new ATOM 0 HE3 LYS A 548 9.399 14.142 -3.078 1.00 32.13 H new ATOM 0 HZ1 LYS A 548 11.474 14.195 -1.857 1.00 0.50 H new ATOM 0 HZ2 LYS A 548 11.334 12.727 -2.699 1.00 0.50 H new ATOM 0 HZ3 LYS A 548 12.363 13.945 -3.282 1.00 0.50 H new ATOM 128 N GLU A 549 6.370 10.311 -3.547 1.00 52.11 N ATOM 129 CA GLU A 549 6.375 9.268 -2.528 1.00 62.44 C ATOM 130 C GLU A 549 6.056 7.906 -3.142 1.00 4.44 C ATOM 131 O GLU A 549 6.863 6.979 -3.073 1.00 50.14 O ATOM 132 CB GLU A 549 5.364 9.593 -1.427 1.00 63.13 C ATOM 133 CG GLU A 549 6.005 10.036 -0.123 1.00 43.44 C ATOM 134 CD GLU A 549 5.050 10.815 0.761 1.00 44.33 C ATOM 135 OE1 GLU A 549 4.112 10.199 1.307 1.00 10.03 O ATOM 136 OE2 GLU A 549 5.242 12.041 0.906 1.00 53.13 O ATOM 0 H GLU A 549 5.622 10.997 -3.445 1.00 52.11 H new ATOM 0 HA GLU A 549 7.373 9.227 -2.092 1.00 62.44 H new ATOM 0 HB2 GLU A 549 4.696 10.379 -1.779 1.00 63.13 H new ATOM 0 HB3 GLU A 549 4.749 8.713 -1.239 1.00 63.13 H new ATOM 0 HG2 GLU A 549 6.362 9.160 0.418 1.00 43.44 H new ATOM 0 HG3 GLU A 549 6.877 10.653 -0.342 1.00 43.44 H new ATOM 144 N ARG A 550 4.875 7.796 -3.739 1.00 52.54 N ATOM 145 CA ARG A 550 4.447 6.550 -4.363 1.00 71.52 C ATOM 146 C ARG A 550 5.507 6.036 -5.334 1.00 2.14 C ATOM 147 O ARG A 550 5.744 4.832 -5.429 1.00 41.10 O ATOM 148 CB ARG A 550 3.121 6.751 -5.098 1.00 34.31 C ATOM 149 CG ARG A 550 2.643 5.513 -5.840 1.00 15.14 C ATOM 150 CD ARG A 550 1.136 5.537 -6.048 1.00 24.10 C ATOM 151 NE ARG A 550 0.721 6.626 -6.926 1.00 41.42 N ATOM 152 CZ ARG A 550 0.964 6.650 -8.232 1.00 3.32 C ATOM 153 NH1 ARG A 550 1.616 5.649 -8.807 1.00 11.31 N ATOM 154 NH2 ARG A 550 0.556 7.678 -8.966 1.00 13.11 N ATOM 0 H ARG A 550 4.197 8.555 -3.804 1.00 52.54 H new ATOM 0 HA ARG A 550 4.309 5.808 -3.576 1.00 71.52 H new ATOM 0 HB2 ARG A 550 2.358 7.051 -4.379 1.00 34.31 H new ATOM 0 HB3 ARG A 550 3.229 7.571 -5.808 1.00 34.31 H new ATOM 0 HG2 ARG A 550 3.144 5.450 -6.806 1.00 15.14 H new ATOM 0 HG3 ARG A 550 2.920 4.621 -5.278 1.00 15.14 H new ATOM 0 HD2 ARG A 550 0.814 4.586 -6.473 1.00 24.10 H new ATOM 0 HD3 ARG A 550 0.639 5.640 -5.083 1.00 24.10 H new ATOM 0 HE ARG A 550 0.217 7.412 -6.515 1.00 41.42 H new ATOM 0 HH11 ARG A 550 1.932 4.858 -8.247 1.00 11.31 H new ATOM 0 HH12 ARG A 550 1.801 5.670 -9.810 1.00 11.31 H new ATOM 0 HH21 ARG A 550 0.055 8.451 -8.527 1.00 13.11 H new ATOM 0 HH22 ARG A 550 0.743 7.695 -9.969 1.00 13.11 H new ATOM 168 N ALA A 551 6.140 6.957 -6.051 1.00 54.45 N ATOM 169 CA ALA A 551 7.175 6.598 -7.013 1.00 51.24 C ATOM 170 C ALA A 551 8.244 5.724 -6.369 1.00 2.14 C ATOM 171 O ALA A 551 8.469 4.590 -6.789 1.00 45.22 O ATOM 172 CB ALA A 551 7.802 7.851 -7.607 1.00 2.50 C ATOM 0 H ALA A 551 5.955 7.958 -5.984 1.00 54.45 H new ATOM 0 HA ALA A 551 6.708 6.024 -7.814 1.00 51.24 H new ATOM 0 HB1 ALA A 551 8.573 7.567 -8.323 1.00 2.50 H new ATOM 0 HB2 ALA A 551 7.035 8.437 -8.113 1.00 2.50 H new ATOM 0 HB3 ALA A 551 8.248 8.447 -6.811 1.00 2.50 H new ATOM 178 N GLY A 552 8.902 6.260 -5.344 1.00 71.54 N ATOM 179 CA GLY A 552 9.941 5.514 -4.658 1.00 74.00 C ATOM 180 C GLY A 552 9.383 4.379 -3.821 1.00 42.51 C ATOM 181 O GLY A 552 9.877 3.253 -3.882 1.00 13.04 O ATOM 0 H GLY A 552 8.734 7.197 -4.977 1.00 71.54 H new ATOM 0 HA2 GLY A 552 10.639 5.111 -5.391 1.00 74.00 H new ATOM 0 HA3 GLY A 552 10.507 6.190 -4.017 1.00 74.00 H new ATOM 185 N VAL A 553 8.353 4.676 -3.036 1.00 32.01 N ATOM 186 CA VAL A 553 7.728 3.673 -2.182 1.00 21.32 C ATOM 187 C VAL A 553 7.357 2.427 -2.980 1.00 1.34 C ATOM 188 O VAL A 553 7.775 1.318 -2.648 1.00 63.11 O ATOM 189 CB VAL A 553 6.465 4.226 -1.497 1.00 72.11 C ATOM 190 CG1 VAL A 553 5.783 3.141 -0.678 1.00 1.34 C ATOM 191 CG2 VAL A 553 6.813 5.425 -0.627 1.00 32.10 C ATOM 0 H VAL A 553 7.933 5.604 -2.974 1.00 32.01 H new ATOM 0 HA VAL A 553 8.459 3.408 -1.418 1.00 21.32 H new ATOM 0 HB VAL A 553 5.769 4.556 -2.268 1.00 72.11 H new ATOM 0 HG11 VAL A 553 4.892 3.551 -0.201 1.00 1.34 H new ATOM 0 HG12 VAL A 553 5.498 2.317 -1.332 1.00 1.34 H new ATOM 0 HG13 VAL A 553 6.469 2.777 0.087 1.00 1.34 H new ATOM 0 HG21 VAL A 553 5.909 5.803 -0.150 1.00 32.10 H new ATOM 0 HG22 VAL A 553 7.528 5.124 0.139 1.00 32.10 H new ATOM 0 HG23 VAL A 553 7.252 6.208 -1.245 1.00 32.10 H new ATOM 201 N TYR A 554 6.569 2.618 -4.032 1.00 1.55 N ATOM 202 CA TYR A 554 6.139 1.510 -4.876 1.00 2.23 C ATOM 203 C TYR A 554 7.333 0.676 -5.330 1.00 21.11 C ATOM 204 O TYR A 554 7.258 -0.551 -5.401 1.00 73.33 O ATOM 205 CB TYR A 554 5.377 2.035 -6.094 1.00 34.14 C ATOM 206 CG TYR A 554 4.963 0.950 -7.062 1.00 30.12 C ATOM 207 CD1 TYR A 554 5.817 0.534 -8.075 1.00 45.02 C ATOM 208 CD2 TYR A 554 3.717 0.343 -6.966 1.00 1.15 C ATOM 209 CE1 TYR A 554 5.443 -0.457 -8.963 1.00 42.13 C ATOM 210 CE2 TYR A 554 3.335 -0.649 -7.848 1.00 42.10 C ATOM 211 CZ TYR A 554 4.202 -1.044 -8.846 1.00 20.44 C ATOM 212 OH TYR A 554 3.825 -2.031 -9.727 1.00 72.33 O ATOM 0 H TYR A 554 6.215 3.530 -4.321 1.00 1.55 H new ATOM 0 HA TYR A 554 5.477 0.874 -4.288 1.00 2.23 H new ATOM 0 HB2 TYR A 554 4.488 2.566 -5.755 1.00 34.14 H new ATOM 0 HB3 TYR A 554 6.001 2.759 -6.618 1.00 34.14 H new ATOM 0 HD1 TYR A 554 6.790 0.993 -8.171 1.00 45.02 H new ATOM 0 HD2 TYR A 554 3.035 0.652 -6.188 1.00 1.15 H new ATOM 0 HE1 TYR A 554 6.120 -0.770 -9.744 1.00 42.13 H new ATOM 0 HE2 TYR A 554 2.364 -1.113 -7.757 1.00 42.10 H new ATOM 0 HH TYR A 554 2.922 -2.340 -9.505 1.00 72.33 H new ATOM 222 N THR A 555 8.436 1.352 -5.635 1.00 71.55 N ATOM 223 CA THR A 555 9.647 0.675 -6.083 1.00 64.00 C ATOM 224 C THR A 555 10.092 -0.380 -5.076 1.00 74.34 C ATOM 225 O THR A 555 10.417 -1.508 -5.446 1.00 64.23 O ATOM 226 CB THR A 555 10.798 1.673 -6.305 1.00 45.31 C ATOM 227 OG1 THR A 555 10.333 2.799 -7.058 1.00 30.34 O ATOM 228 CG2 THR A 555 11.956 1.010 -7.038 1.00 32.04 C ATOM 0 H THR A 555 8.516 2.367 -5.580 1.00 71.55 H new ATOM 0 HA THR A 555 9.407 0.191 -7.030 1.00 64.00 H new ATOM 0 HB THR A 555 11.150 2.009 -5.330 1.00 45.31 H new ATOM 0 HG1 THR A 555 9.823 3.396 -6.472 1.00 30.34 H new ATOM 0 HG21 THR A 555 12.757 1.735 -7.183 1.00 32.04 H new ATOM 0 HG22 THR A 555 12.327 0.172 -6.449 1.00 32.04 H new ATOM 0 HG23 THR A 555 11.614 0.648 -8.008 1.00 32.04 H new ATOM 236 N LYS A 556 10.102 -0.007 -3.801 1.00 41.00 N ATOM 237 CA LYS A 556 10.505 -0.921 -2.739 1.00 61.40 C ATOM 238 C LYS A 556 9.389 -1.913 -2.423 1.00 51.42 C ATOM 239 O LYS A 556 9.649 -3.073 -2.100 1.00 2.11 O ATOM 240 CB LYS A 556 10.879 -0.139 -1.478 1.00 63.52 C ATOM 241 CG LYS A 556 12.363 0.170 -1.372 1.00 35.21 C ATOM 242 CD LYS A 556 12.726 1.427 -2.144 1.00 10.25 C ATOM 243 CE LYS A 556 14.192 1.788 -1.961 1.00 65.24 C ATOM 244 NZ LYS A 556 14.524 3.096 -2.589 1.00 42.35 N ATOM 0 H LYS A 556 9.835 0.923 -3.478 1.00 41.00 H new ATOM 0 HA LYS A 556 11.376 -1.478 -3.084 1.00 61.40 H new ATOM 0 HB2 LYS A 556 10.319 0.796 -1.461 1.00 63.52 H new ATOM 0 HB3 LYS A 556 10.572 -0.710 -0.602 1.00 63.52 H new ATOM 0 HG2 LYS A 556 12.636 0.294 -0.324 1.00 35.21 H new ATOM 0 HG3 LYS A 556 12.939 -0.672 -1.754 1.00 35.21 H new ATOM 0 HD2 LYS A 556 12.516 1.278 -3.203 1.00 10.25 H new ATOM 0 HD3 LYS A 556 12.101 2.255 -1.808 1.00 10.25 H new ATOM 0 HE2 LYS A 556 14.426 1.826 -0.897 1.00 65.24 H new ATOM 0 HE3 LYS A 556 14.815 1.007 -2.397 1.00 65.24 H new ATOM 0 HZ1 LYS A 556 15.532 3.306 -2.442 1.00 42.35 H new ATOM 0 HZ2 LYS A 556 14.324 3.052 -3.609 1.00 42.35 H new ATOM 0 HZ3 LYS A 556 13.948 3.845 -2.155 1.00 42.35 H new ATOM 258 N LEU A 557 8.148 -1.449 -2.519 1.00 21.44 N ATOM 259 CA LEU A 557 6.992 -2.296 -2.244 1.00 24.41 C ATOM 260 C LEU A 557 7.010 -3.543 -3.122 1.00 54.04 C ATOM 261 O LEU A 557 6.493 -4.593 -2.737 1.00 70.10 O ATOM 262 CB LEU A 557 5.697 -1.515 -2.472 1.00 73.11 C ATOM 263 CG LEU A 557 5.137 -0.773 -1.258 1.00 42.35 C ATOM 264 CD1 LEU A 557 4.040 0.192 -1.681 1.00 61.20 C ATOM 265 CD2 LEU A 557 4.614 -1.759 -0.225 1.00 5.54 C ATOM 0 H LEU A 557 7.916 -0.492 -2.785 1.00 21.44 H new ATOM 0 HA LEU A 557 7.041 -2.608 -1.201 1.00 24.41 H new ATOM 0 HB2 LEU A 557 5.869 -0.790 -3.268 1.00 73.11 H new ATOM 0 HB3 LEU A 557 4.937 -2.209 -2.831 1.00 73.11 H new ATOM 0 HG LEU A 557 5.944 -0.197 -0.805 1.00 42.35 H new ATOM 0 HD11 LEU A 557 3.654 0.711 -0.804 1.00 61.20 H new ATOM 0 HD12 LEU A 557 4.447 0.920 -2.383 1.00 61.20 H new ATOM 0 HD13 LEU A 557 3.233 -0.362 -2.160 1.00 61.20 H new ATOM 0 HD21 LEU A 557 4.219 -1.213 0.632 1.00 5.54 H new ATOM 0 HD22 LEU A 557 3.821 -2.363 -0.667 1.00 5.54 H new ATOM 0 HD23 LEU A 557 5.426 -2.409 0.101 1.00 5.54 H new ATOM 277 N CYS A 558 7.607 -3.420 -4.302 1.00 63.50 N ATOM 278 CA CYS A 558 7.694 -4.538 -5.235 1.00 35.31 C ATOM 279 C CYS A 558 8.601 -5.635 -4.688 1.00 73.30 C ATOM 280 O CYS A 558 8.532 -6.785 -5.120 1.00 43.01 O ATOM 281 CB CYS A 558 8.214 -4.058 -6.591 1.00 35.41 C ATOM 282 SG CYS A 558 6.961 -3.255 -7.620 1.00 21.44 S ATOM 0 H CYS A 558 8.038 -2.558 -4.636 1.00 63.50 H new ATOM 0 HA CYS A 558 6.693 -4.951 -5.363 1.00 35.31 H new ATOM 0 HB2 CYS A 558 9.036 -3.361 -6.427 1.00 35.41 H new ATOM 0 HB3 CYS A 558 8.623 -4.910 -7.134 1.00 35.41 H new ATOM 0 HG CYS A 558 7.141 -1.968 -7.598 1.00 21.44 H new ATOM 288 N GLY A 559 9.453 -5.270 -3.734 1.00 40.34 N ATOM 289 CA GLY A 559 10.363 -6.233 -3.145 1.00 22.44 C ATOM 290 C GLY A 559 9.882 -6.739 -1.799 1.00 51.03 C ATOM 291 O GLY A 559 10.409 -7.718 -1.270 1.00 13.32 O ATOM 0 H GLY A 559 9.528 -4.324 -3.359 1.00 40.34 H new ATOM 0 HA2 GLY A 559 10.484 -7.077 -3.825 1.00 22.44 H new ATOM 0 HA3 GLY A 559 11.345 -5.775 -3.028 1.00 22.44 H new ATOM 295 N VAL A 560 8.877 -6.070 -1.243 1.00 11.44 N ATOM 296 CA VAL A 560 8.325 -6.456 0.051 1.00 50.42 C ATOM 297 C VAL A 560 6.983 -7.161 -0.114 1.00 14.21 C ATOM 298 O VAL A 560 6.579 -7.957 0.734 1.00 40.51 O ATOM 299 CB VAL A 560 8.141 -5.234 0.970 1.00 41.13 C ATOM 300 CG1 VAL A 560 7.786 -5.676 2.381 1.00 12.23 C ATOM 301 CG2 VAL A 560 9.397 -4.375 0.971 1.00 33.23 C ATOM 0 H VAL A 560 8.428 -5.258 -1.668 1.00 11.44 H new ATOM 0 HA VAL A 560 9.039 -7.141 0.509 1.00 50.42 H new ATOM 0 HB VAL A 560 7.317 -4.632 0.586 1.00 41.13 H new ATOM 0 HG11 VAL A 560 7.660 -4.799 3.016 1.00 12.23 H new ATOM 0 HG12 VAL A 560 6.857 -6.246 2.361 1.00 12.23 H new ATOM 0 HG13 VAL A 560 8.586 -6.300 2.779 1.00 12.23 H new ATOM 0 HG21 VAL A 560 9.250 -3.516 1.625 1.00 33.23 H new ATOM 0 HG22 VAL A 560 10.241 -4.964 1.330 1.00 33.23 H new ATOM 0 HG23 VAL A 560 9.602 -4.029 -0.042 1.00 33.23 H new ATOM 311 N PHE A 561 6.295 -6.863 -1.212 1.00 74.11 N ATOM 312 CA PHE A 561 4.997 -7.467 -1.488 1.00 61.24 C ATOM 313 C PHE A 561 4.686 -7.429 -2.981 1.00 64.34 C ATOM 314 O PHE A 561 5.253 -6.642 -3.739 1.00 63.51 O ATOM 315 CB PHE A 561 3.898 -6.744 -0.709 1.00 14.23 C ATOM 316 CG PHE A 561 3.792 -7.181 0.725 1.00 4.25 C ATOM 317 CD1 PHE A 561 3.155 -8.365 1.058 1.00 52.11 C ATOM 318 CD2 PHE A 561 4.330 -6.407 1.740 1.00 4.54 C ATOM 319 CE1 PHE A 561 3.057 -8.770 2.375 1.00 21.53 C ATOM 320 CE2 PHE A 561 4.236 -6.806 3.060 1.00 62.35 C ATOM 321 CZ PHE A 561 3.598 -7.989 3.378 1.00 13.40 C ATOM 0 H PHE A 561 6.615 -6.207 -1.925 1.00 74.11 H new ATOM 0 HA PHE A 561 5.034 -8.508 -1.168 1.00 61.24 H new ATOM 0 HB2 PHE A 561 4.087 -5.671 -0.740 1.00 14.23 H new ATOM 0 HB3 PHE A 561 2.942 -6.913 -1.204 1.00 14.23 H new ATOM 0 HD1 PHE A 561 2.730 -8.979 0.278 1.00 52.11 H new ATOM 0 HD2 PHE A 561 4.829 -5.481 1.497 1.00 4.54 H new ATOM 0 HE1 PHE A 561 2.558 -9.696 2.620 1.00 21.53 H new ATOM 0 HE2 PHE A 561 4.661 -6.194 3.842 1.00 62.35 H new ATOM 0 HZ PHE A 561 3.522 -8.303 4.409 1.00 13.40 H new ATOM 331 N PRO A 562 3.765 -8.302 -3.416 1.00 73.00 N ATOM 332 CA PRO A 562 3.357 -8.389 -4.821 1.00 24.10 C ATOM 333 C PRO A 562 2.557 -7.170 -5.269 1.00 23.13 C ATOM 334 O PRO A 562 2.121 -6.351 -4.459 1.00 30.23 O ATOM 335 CB PRO A 562 2.484 -9.645 -4.860 1.00 34.21 C ATOM 336 CG PRO A 562 1.964 -9.789 -3.472 1.00 5.23 C ATOM 337 CD PRO A 562 3.049 -9.270 -2.568 1.00 13.33 C ATOM 0 HA PRO A 562 4.215 -8.429 -5.493 1.00 24.10 H new ATOM 0 HB2 PRO A 562 1.671 -9.540 -5.578 1.00 34.21 H new ATOM 0 HB3 PRO A 562 3.062 -10.520 -5.159 1.00 34.21 H new ATOM 0 HG2 PRO A 562 1.042 -9.223 -3.340 1.00 5.23 H new ATOM 0 HG3 PRO A 562 1.734 -10.830 -3.247 1.00 5.23 H new ATOM 0 HD2 PRO A 562 2.637 -8.796 -1.677 1.00 13.33 H new ATOM 0 HD3 PRO A 562 3.706 -10.070 -2.229 1.00 13.33 H new ATOM 345 N PRO A 563 2.358 -7.045 -6.589 1.00 71.21 N ATOM 346 CA PRO A 563 1.608 -5.929 -7.174 1.00 63.42 C ATOM 347 C PRO A 563 0.118 -6.002 -6.857 1.00 71.24 C ATOM 348 O PRO A 563 -0.498 -5.002 -6.488 1.00 44.43 O ATOM 349 CB PRO A 563 1.843 -6.093 -8.678 1.00 22.40 C ATOM 350 CG PRO A 563 2.132 -7.544 -8.860 1.00 43.44 C ATOM 351 CD PRO A 563 2.848 -7.983 -7.613 1.00 63.11 C ATOM 0 HA PRO A 563 1.936 -4.967 -6.780 1.00 63.42 H new ATOM 0 HB2 PRO A 563 0.967 -5.789 -9.251 1.00 22.40 H new ATOM 0 HB3 PRO A 563 2.676 -5.478 -9.018 1.00 22.40 H new ATOM 0 HG2 PRO A 563 1.212 -8.110 -9.001 1.00 43.44 H new ATOM 0 HG3 PRO A 563 2.748 -7.711 -9.743 1.00 43.44 H new ATOM 0 HD2 PRO A 563 2.612 -9.016 -7.357 1.00 63.11 H new ATOM 0 HD3 PRO A 563 3.930 -7.922 -7.729 1.00 63.11 H new ATOM 359 N HIS A 564 -0.456 -7.192 -7.003 1.00 24.14 N ATOM 360 CA HIS A 564 -1.874 -7.395 -6.730 1.00 61.41 C ATOM 361 C HIS A 564 -2.227 -6.938 -5.318 1.00 32.33 C ATOM 362 O HIS A 564 -3.373 -6.584 -5.037 1.00 50.13 O ATOM 363 CB HIS A 564 -2.243 -8.869 -6.908 1.00 53.53 C ATOM 364 CG HIS A 564 -2.043 -9.691 -5.673 1.00 5.21 C ATOM 365 ND1 HIS A 564 -0.856 -10.326 -5.376 1.00 23.24 N ATOM 366 CD2 HIS A 564 -2.887 -9.977 -4.655 1.00 21.23 C ATOM 367 CE1 HIS A 564 -0.979 -10.970 -4.229 1.00 23.31 C ATOM 368 NE2 HIS A 564 -2.202 -10.775 -3.770 1.00 12.30 N ATOM 0 H HIS A 564 0.039 -8.030 -7.309 1.00 24.14 H new ATOM 0 HA HIS A 564 -2.444 -6.796 -7.440 1.00 61.41 H new ATOM 0 HB2 HIS A 564 -3.286 -8.939 -7.216 1.00 53.53 H new ATOM 0 HB3 HIS A 564 -1.644 -9.290 -7.715 1.00 53.53 H new ATOM 0 HD2 HIS A 564 -3.909 -9.641 -4.556 1.00 21.23 H new ATOM 0 HE1 HIS A 564 -0.210 -11.556 -3.748 1.00 23.31 H new ATOM 0 HE2 HIS A 564 -2.577 -11.155 -2.901 1.00 12.30 H new ATOM 377 N LEU A 565 -1.236 -6.950 -4.432 1.00 50.34 N ATOM 378 CA LEU A 565 -1.443 -6.537 -3.049 1.00 45.42 C ATOM 379 C LEU A 565 -1.360 -5.020 -2.916 1.00 4.23 C ATOM 380 O LEU A 565 -2.322 -4.369 -2.507 1.00 50.44 O ATOM 381 CB LEU A 565 -0.404 -7.197 -2.139 1.00 74.03 C ATOM 382 CG LEU A 565 -0.842 -8.492 -1.452 1.00 2.33 C ATOM 383 CD1 LEU A 565 0.285 -9.048 -0.597 1.00 5.23 C ATOM 384 CD2 LEU A 565 -2.086 -8.254 -0.609 1.00 44.01 C ATOM 0 H LEU A 565 -0.282 -7.241 -4.647 1.00 50.34 H new ATOM 0 HA LEU A 565 -2.440 -6.856 -2.745 1.00 45.42 H new ATOM 0 HB2 LEU A 565 0.488 -7.406 -2.730 1.00 74.03 H new ATOM 0 HB3 LEU A 565 -0.116 -6.480 -1.370 1.00 74.03 H new ATOM 0 HG LEU A 565 -1.084 -9.226 -2.221 1.00 2.33 H new ATOM 0 HD11 LEU A 565 -0.044 -9.969 -0.116 1.00 5.23 H new ATOM 0 HD12 LEU A 565 1.150 -9.256 -1.226 1.00 5.23 H new ATOM 0 HD13 LEU A 565 0.558 -8.318 0.165 1.00 5.23 H new ATOM 0 HD21 LEU A 565 -2.383 -9.186 -0.128 1.00 44.01 H new ATOM 0 HD22 LEU A 565 -1.871 -7.505 0.153 1.00 44.01 H new ATOM 0 HD23 LEU A 565 -2.896 -7.901 -1.247 1.00 44.01 H new ATOM 396 N VAL A 566 -0.205 -4.461 -3.264 1.00 73.20 N ATOM 397 CA VAL A 566 0.002 -3.020 -3.187 1.00 20.11 C ATOM 398 C VAL A 566 -1.058 -2.270 -3.984 1.00 51.42 C ATOM 399 O VAL A 566 -1.698 -1.350 -3.473 1.00 64.54 O ATOM 400 CB VAL A 566 1.397 -2.625 -3.707 1.00 64.44 C ATOM 401 CG1 VAL A 566 1.572 -1.115 -3.671 1.00 24.01 C ATOM 402 CG2 VAL A 566 2.484 -3.315 -2.897 1.00 35.44 C ATOM 0 H VAL A 566 0.602 -4.985 -3.602 1.00 73.20 H new ATOM 0 HA VAL A 566 -0.076 -2.744 -2.135 1.00 20.11 H new ATOM 0 HB VAL A 566 1.485 -2.953 -4.743 1.00 64.44 H new ATOM 0 HG11 VAL A 566 2.563 -0.855 -4.042 1.00 24.01 H new ATOM 0 HG12 VAL A 566 0.815 -0.646 -4.299 1.00 24.01 H new ATOM 0 HG13 VAL A 566 1.464 -0.760 -2.646 1.00 24.01 H new ATOM 0 HG21 VAL A 566 3.463 -3.024 -3.279 1.00 35.44 H new ATOM 0 HG22 VAL A 566 2.400 -3.021 -1.851 1.00 35.44 H new ATOM 0 HG23 VAL A 566 2.369 -4.396 -2.980 1.00 35.44 H new ATOM 412 N GLU A 567 -1.239 -2.667 -5.240 1.00 64.03 N ATOM 413 CA GLU A 567 -2.221 -2.030 -6.108 1.00 20.21 C ATOM 414 C GLU A 567 -3.590 -1.978 -5.434 1.00 63.21 C ATOM 415 O GLU A 567 -4.383 -1.072 -5.688 1.00 34.31 O ATOM 416 CB GLU A 567 -2.323 -2.782 -7.437 1.00 11.11 C ATOM 417 CG GLU A 567 -1.118 -2.587 -8.341 1.00 23.44 C ATOM 418 CD GLU A 567 -1.254 -3.319 -9.662 1.00 24.53 C ATOM 419 OE1 GLU A 567 -1.827 -4.428 -9.667 1.00 61.52 O ATOM 420 OE2 GLU A 567 -0.787 -2.784 -10.689 1.00 11.44 O ATOM 0 H GLU A 567 -0.718 -3.427 -5.678 1.00 64.03 H new ATOM 0 HA GLU A 567 -1.891 -1.009 -6.301 1.00 20.21 H new ATOM 0 HB2 GLU A 567 -2.446 -3.846 -7.234 1.00 11.11 H new ATOM 0 HB3 GLU A 567 -3.219 -2.452 -7.963 1.00 11.11 H new ATOM 0 HG2 GLU A 567 -0.981 -1.523 -8.532 1.00 23.44 H new ATOM 0 HG3 GLU A 567 -0.223 -2.937 -7.827 1.00 23.44 H new ATOM 428 N ALA A 568 -3.858 -2.956 -4.576 1.00 3.41 N ATOM 429 CA ALA A 568 -5.128 -3.022 -3.864 1.00 43.34 C ATOM 430 C ALA A 568 -5.109 -2.133 -2.625 1.00 54.31 C ATOM 431 O ALA A 568 -5.930 -1.225 -2.487 1.00 60.01 O ATOM 432 CB ALA A 568 -5.444 -4.460 -3.480 1.00 54.55 C ATOM 0 H ALA A 568 -3.212 -3.714 -4.357 1.00 3.41 H new ATOM 0 HA ALA A 568 -5.909 -2.656 -4.530 1.00 43.34 H new ATOM 0 HB1 ALA A 568 -6.395 -4.494 -2.949 1.00 54.55 H new ATOM 0 HB2 ALA A 568 -5.509 -5.071 -4.380 1.00 54.55 H new ATOM 0 HB3 ALA A 568 -4.655 -4.846 -2.835 1.00 54.55 H new ATOM 438 N VAL A 569 -4.169 -2.401 -1.725 1.00 14.31 N ATOM 439 CA VAL A 569 -4.044 -1.624 -0.496 1.00 70.34 C ATOM 440 C VAL A 569 -3.951 -0.133 -0.795 1.00 40.13 C ATOM 441 O VAL A 569 -4.457 0.695 -0.038 1.00 3.01 O ATOM 442 CB VAL A 569 -2.805 -2.052 0.314 1.00 53.11 C ATOM 443 CG1 VAL A 569 -2.774 -1.340 1.657 1.00 10.20 C ATOM 444 CG2 VAL A 569 -2.787 -3.561 0.501 1.00 73.30 C ATOM 0 H VAL A 569 -3.483 -3.149 -1.823 1.00 14.31 H new ATOM 0 HA VAL A 569 -4.940 -1.818 0.093 1.00 70.34 H new ATOM 0 HB VAL A 569 -1.912 -1.767 -0.242 1.00 53.11 H new ATOM 0 HG11 VAL A 569 -1.892 -1.655 2.215 1.00 10.20 H new ATOM 0 HG12 VAL A 569 -2.737 -0.262 1.497 1.00 10.20 H new ATOM 0 HG13 VAL A 569 -3.671 -1.592 2.223 1.00 10.20 H new ATOM 0 HG21 VAL A 569 -1.905 -3.846 1.075 1.00 73.30 H new ATOM 0 HG22 VAL A 569 -3.684 -3.872 1.036 1.00 73.30 H new ATOM 0 HG23 VAL A 569 -2.758 -4.048 -0.474 1.00 73.30 H new ATOM 454 N MET A 570 -3.304 0.203 -1.906 1.00 5.44 N ATOM 455 CA MET A 570 -3.146 1.597 -2.307 1.00 11.15 C ATOM 456 C MET A 570 -4.504 2.274 -2.465 1.00 72.43 C ATOM 457 O MET A 570 -4.623 3.489 -2.317 1.00 2.14 O ATOM 458 CB MET A 570 -2.362 1.688 -3.617 1.00 73.10 C ATOM 459 CG MET A 570 -0.855 1.644 -3.427 1.00 64.13 C ATOM 460 SD MET A 570 0.027 2.647 -4.638 1.00 43.33 S ATOM 461 CE MET A 570 1.611 2.844 -3.826 1.00 24.21 C ATOM 0 H MET A 570 -2.881 -0.470 -2.545 1.00 5.44 H new ATOM 0 HA MET A 570 -2.591 2.114 -1.524 1.00 11.15 H new ATOM 0 HB2 MET A 570 -2.662 0.867 -4.268 1.00 73.10 H new ATOM 0 HB3 MET A 570 -2.629 2.614 -4.127 1.00 73.10 H new ATOM 0 HG2 MET A 570 -0.609 1.992 -2.424 1.00 64.13 H new ATOM 0 HG3 MET A 570 -0.514 0.611 -3.498 1.00 64.13 H new ATOM 0 HE1 MET A 570 1.758 3.892 -3.564 1.00 24.21 H new ATOM 0 HE2 MET A 570 1.634 2.237 -2.921 1.00 24.21 H new ATOM 0 HE3 MET A 570 2.407 2.523 -4.498 1.00 24.21 H new ATOM 471 N ARG A 571 -5.525 1.477 -2.768 1.00 52.23 N ATOM 472 CA ARG A 571 -6.874 2.000 -2.948 1.00 44.25 C ATOM 473 C ARG A 571 -7.494 2.380 -1.607 1.00 24.44 C ATOM 474 O ARG A 571 -8.570 2.977 -1.555 1.00 24.30 O ATOM 475 CB ARG A 571 -7.754 0.968 -3.655 1.00 44.14 C ATOM 476 CG ARG A 571 -9.084 1.526 -4.132 1.00 74.21 C ATOM 477 CD ARG A 571 -10.245 0.644 -3.700 1.00 32.41 C ATOM 478 NE ARG A 571 -11.464 0.936 -4.450 1.00 52.32 N ATOM 479 CZ ARG A 571 -11.624 0.645 -5.735 1.00 64.04 C ATOM 480 NH1 ARG A 571 -10.647 0.055 -6.411 1.00 42.23 N ATOM 481 NH2 ARG A 571 -12.762 0.943 -6.349 1.00 13.40 N ATOM 0 H ARG A 571 -5.443 0.468 -2.894 1.00 52.23 H new ATOM 0 HA ARG A 571 -6.809 2.896 -3.565 1.00 44.25 H new ATOM 0 HB2 ARG A 571 -7.211 0.565 -4.510 1.00 44.14 H new ATOM 0 HB3 ARG A 571 -7.941 0.136 -2.976 1.00 44.14 H new ATOM 0 HG2 ARG A 571 -9.222 2.531 -3.734 1.00 74.21 H new ATOM 0 HG3 ARG A 571 -9.075 1.612 -5.219 1.00 74.21 H new ATOM 0 HD2 ARG A 571 -9.976 -0.403 -3.839 1.00 32.41 H new ATOM 0 HD3 ARG A 571 -10.432 0.786 -2.636 1.00 32.41 H new ATOM 0 HE ARG A 571 -12.235 1.389 -3.959 1.00 52.32 H new ATOM 0 HH11 ARG A 571 -9.770 -0.176 -5.943 1.00 42.23 H new ATOM 0 HH12 ARG A 571 -10.772 -0.168 -7.398 1.00 42.23 H new ATOM 0 HH21 ARG A 571 -13.516 1.397 -5.833 1.00 13.40 H new ATOM 0 HH22 ARG A 571 -12.883 0.718 -7.337 1.00 13.40 H new ATOM 495 N ARG A 572 -6.808 2.029 -0.524 1.00 32.41 N ATOM 496 CA ARG A 572 -7.292 2.330 0.818 1.00 64.13 C ATOM 497 C ARG A 572 -6.642 3.601 1.358 1.00 51.00 C ATOM 498 O ARG A 572 -7.293 4.414 2.014 1.00 70.21 O ATOM 499 CB ARG A 572 -7.008 1.159 1.761 1.00 3.14 C ATOM 500 CG ARG A 572 -7.669 1.300 3.122 1.00 35.41 C ATOM 501 CD ARG A 572 -8.163 -0.041 3.642 1.00 31.11 C ATOM 502 NE ARG A 572 -7.178 -0.691 4.503 1.00 0.41 N ATOM 503 CZ ARG A 572 -7.479 -1.651 5.370 1.00 3.54 C ATOM 504 NH1 ARG A 572 -8.731 -2.071 5.491 1.00 41.20 N ATOM 505 NH2 ARG A 572 -6.527 -2.193 6.119 1.00 44.31 N ATOM 0 H ARG A 572 -5.915 1.536 -0.550 1.00 32.41 H new ATOM 0 HA ARG A 572 -8.369 2.489 0.761 1.00 64.13 H new ATOM 0 HB2 ARG A 572 -7.351 0.236 1.294 1.00 3.14 H new ATOM 0 HB3 ARG A 572 -5.931 1.066 1.897 1.00 3.14 H new ATOM 0 HG2 ARG A 572 -6.959 1.727 3.830 1.00 35.41 H new ATOM 0 HG3 ARG A 572 -8.506 1.995 3.051 1.00 35.41 H new ATOM 0 HD2 ARG A 572 -9.090 0.105 4.197 1.00 31.11 H new ATOM 0 HD3 ARG A 572 -8.395 -0.693 2.800 1.00 31.11 H new ATOM 0 HE ARG A 572 -6.206 -0.391 4.435 1.00 0.41 H new ATOM 0 HH11 ARG A 572 -9.466 -1.657 4.917 1.00 41.20 H new ATOM 0 HH12 ARG A 572 -8.959 -2.808 6.158 1.00 41.20 H new ATOM 0 HH21 ARG A 572 -5.563 -1.872 6.029 1.00 44.31 H new ATOM 0 HH22 ARG A 572 -6.759 -2.930 6.785 1.00 44.31 H new ATOM 519 N PHE A 573 -5.353 3.765 1.077 1.00 10.12 N ATOM 520 CA PHE A 573 -4.614 4.936 1.535 1.00 32.33 C ATOM 521 C PHE A 573 -4.151 5.783 0.353 1.00 14.43 C ATOM 522 O PHE A 573 -2.974 5.803 -0.006 1.00 61.14 O ATOM 523 CB PHE A 573 -3.407 4.507 2.373 1.00 15.32 C ATOM 524 CG PHE A 573 -3.778 3.977 3.729 1.00 51.02 C ATOM 525 CD1 PHE A 573 -4.420 2.755 3.857 1.00 3.34 C ATOM 526 CD2 PHE A 573 -3.485 4.698 4.874 1.00 23.04 C ATOM 527 CE1 PHE A 573 -4.762 2.265 5.103 1.00 63.20 C ATOM 528 CE2 PHE A 573 -3.824 4.213 6.123 1.00 2.01 C ATOM 529 CZ PHE A 573 -4.463 2.994 6.238 1.00 73.23 C ATOM 0 H PHE A 573 -4.799 3.102 0.535 1.00 10.12 H new ATOM 0 HA PHE A 573 -5.281 5.538 2.152 1.00 32.33 H new ATOM 0 HB2 PHE A 573 -2.852 3.741 1.831 1.00 15.32 H new ATOM 0 HB3 PHE A 573 -2.738 5.359 2.495 1.00 15.32 H new ATOM 0 HD1 PHE A 573 -4.655 2.180 2.974 1.00 3.34 H new ATOM 0 HD2 PHE A 573 -2.985 5.652 4.790 1.00 23.04 H new ATOM 0 HE1 PHE A 573 -5.263 1.312 5.190 1.00 63.20 H new ATOM 0 HE2 PHE A 573 -3.590 4.786 7.008 1.00 2.01 H new ATOM 0 HZ PHE A 573 -4.728 2.612 7.213 1.00 73.23 H new ATOM 539 N PRO A 574 -5.100 6.501 -0.267 1.00 11.32 N ATOM 540 CA PRO A 574 -4.814 7.365 -1.416 1.00 72.15 C ATOM 541 C PRO A 574 -3.998 8.593 -1.031 1.00 41.00 C ATOM 542 O PRO A 574 -3.523 9.330 -1.895 1.00 21.31 O ATOM 543 CB PRO A 574 -6.205 7.778 -1.903 1.00 40.01 C ATOM 544 CG PRO A 574 -7.077 7.668 -0.700 1.00 43.11 C ATOM 545 CD PRO A 574 -6.523 6.527 0.108 1.00 32.11 C ATOM 0 HA PRO A 574 -4.217 6.854 -2.171 1.00 72.15 H new ATOM 0 HB2 PRO A 574 -6.201 8.794 -2.297 1.00 40.01 H new ATOM 0 HB3 PRO A 574 -6.553 7.127 -2.705 1.00 40.01 H new ATOM 0 HG2 PRO A 574 -7.068 8.594 -0.125 1.00 43.11 H new ATOM 0 HG3 PRO A 574 -8.112 7.479 -0.984 1.00 43.11 H new ATOM 0 HD2 PRO A 574 -6.653 6.692 1.178 1.00 32.11 H new ATOM 0 HD3 PRO A 574 -7.019 5.587 -0.132 1.00 32.11 H new ATOM 553 N GLN A 575 -3.839 8.808 0.271 1.00 4.13 N ATOM 554 CA GLN A 575 -3.080 9.949 0.770 1.00 71.51 C ATOM 555 C GLN A 575 -1.801 9.490 1.464 1.00 21.24 C ATOM 556 O GLN A 575 -0.902 10.290 1.723 1.00 5.31 O ATOM 557 CB GLN A 575 -3.933 10.771 1.738 1.00 64.14 C ATOM 558 CG GLN A 575 -4.121 10.112 3.095 1.00 63.21 C ATOM 559 CD GLN A 575 -4.974 10.942 4.033 1.00 4.13 C ATOM 560 OE1 GLN A 575 -4.463 11.592 4.945 1.00 2.13 O ATOM 561 NE2 GLN A 575 -6.284 10.924 3.814 1.00 42.20 N ATOM 0 H GLN A 575 -4.225 8.207 0.999 1.00 4.13 H new ATOM 0 HA GLN A 575 -2.806 10.572 -0.081 1.00 71.51 H new ATOM 0 HB2 GLN A 575 -3.469 11.747 1.879 1.00 64.14 H new ATOM 0 HB3 GLN A 575 -4.911 10.945 1.289 1.00 64.14 H new ATOM 0 HG2 GLN A 575 -4.583 9.134 2.959 1.00 63.21 H new ATOM 0 HG3 GLN A 575 -3.145 9.943 3.551 1.00 63.21 H new ATOM 0 HE21 GLN A 575 -6.665 10.371 3.046 1.00 42.20 H new ATOM 0 HE22 GLN A 575 -6.909 11.463 4.414 1.00 42.20 H new ATOM 570 N LEU A 576 -1.727 8.198 1.762 1.00 30.42 N ATOM 571 CA LEU A 576 -0.559 7.632 2.427 1.00 43.02 C ATOM 572 C LEU A 576 -0.019 6.432 1.653 1.00 45.53 C ATOM 573 O LEU A 576 -0.723 5.443 1.451 1.00 71.51 O ATOM 574 CB LEU A 576 -0.911 7.214 3.855 1.00 14.12 C ATOM 575 CG LEU A 576 -0.227 7.999 4.974 1.00 1.41 C ATOM 576 CD1 LEU A 576 -0.595 7.426 6.333 1.00 10.14 C ATOM 577 CD2 LEU A 576 1.283 7.994 4.783 1.00 41.43 C ATOM 0 H LEU A 576 -2.462 7.522 1.554 1.00 30.42 H new ATOM 0 HA LEU A 576 0.215 8.399 2.460 1.00 43.02 H new ATOM 0 HB2 LEU A 576 -1.990 7.304 3.983 1.00 14.12 H new ATOM 0 HB3 LEU A 576 -0.663 6.159 3.975 1.00 14.12 H new ATOM 0 HG LEU A 576 -0.576 9.031 4.932 1.00 1.41 H new ATOM 0 HD11 LEU A 576 -0.098 7.999 7.116 1.00 10.14 H new ATOM 0 HD12 LEU A 576 -1.675 7.483 6.472 1.00 10.14 H new ATOM 0 HD13 LEU A 576 -0.277 6.385 6.387 1.00 10.14 H new ATOM 0 HD21 LEU A 576 1.754 8.558 5.589 1.00 41.43 H new ATOM 0 HD22 LEU A 576 1.648 6.967 4.797 1.00 41.43 H new ATOM 0 HD23 LEU A 576 1.530 8.454 3.826 1.00 41.43 H new ATOM 589 N LEU A 577 1.235 6.528 1.224 1.00 34.24 N ATOM 590 CA LEU A 577 1.870 5.450 0.473 1.00 4.15 C ATOM 591 C LEU A 577 3.240 5.116 1.056 1.00 73.54 C ATOM 592 O LEU A 577 4.233 5.775 0.750 1.00 45.25 O ATOM 593 CB LEU A 577 2.011 5.841 -0.998 1.00 54.33 C ATOM 594 CG LEU A 577 0.717 5.861 -1.814 1.00 4.44 C ATOM 595 CD1 LEU A 577 -0.026 4.543 -1.668 1.00 32.22 C ATOM 596 CD2 LEU A 577 -0.165 7.025 -1.385 1.00 34.54 C ATOM 0 H LEU A 577 1.831 7.340 1.383 1.00 34.24 H new ATOM 0 HA LEU A 577 1.237 4.566 0.548 1.00 4.15 H new ATOM 0 HB2 LEU A 577 2.464 6.831 -1.048 1.00 54.33 H new ATOM 0 HB3 LEU A 577 2.706 5.148 -1.473 1.00 54.33 H new ATOM 0 HG LEU A 577 0.974 5.994 -2.865 1.00 4.44 H new ATOM 0 HD11 LEU A 577 -0.944 4.576 -2.255 1.00 32.22 H new ATOM 0 HD12 LEU A 577 0.604 3.729 -2.025 1.00 32.22 H new ATOM 0 HD13 LEU A 577 -0.272 4.378 -0.619 1.00 32.22 H new ATOM 0 HD21 LEU A 577 -1.081 7.024 -1.976 1.00 34.54 H new ATOM 0 HD22 LEU A 577 -0.414 6.923 -0.329 1.00 34.54 H new ATOM 0 HD23 LEU A 577 0.368 7.963 -1.543 1.00 34.54 H new ATOM 608 N ASP A 578 3.286 4.087 1.895 1.00 75.23 N ATOM 609 CA ASP A 578 4.534 3.662 2.517 1.00 1.21 C ATOM 610 C ASP A 578 4.759 2.167 2.319 1.00 32.11 C ATOM 611 O ASP A 578 3.817 1.387 2.166 1.00 45.32 O ATOM 612 CB ASP A 578 4.523 3.995 4.010 1.00 14.10 C ATOM 613 CG ASP A 578 5.264 5.280 4.322 1.00 15.31 C ATOM 614 OD1 ASP A 578 6.086 5.279 5.263 1.00 75.41 O ATOM 615 OD2 ASP A 578 5.022 6.288 3.625 1.00 31.43 O ATOM 0 H ASP A 578 2.473 3.532 2.160 1.00 75.23 H new ATOM 0 HA ASP A 578 5.352 4.200 2.038 1.00 1.21 H new ATOM 0 HB2 ASP A 578 3.492 4.081 4.352 1.00 14.10 H new ATOM 0 HB3 ASP A 578 4.976 3.174 4.566 1.00 14.10 H new ATOM 621 N PRO A 579 6.035 1.754 2.320 1.00 42.25 N ATOM 622 CA PRO A 579 6.414 0.350 2.139 1.00 4.15 C ATOM 623 C PRO A 579 6.033 -0.511 3.339 1.00 21.24 C ATOM 624 O PRO A 579 5.435 -1.576 3.186 1.00 42.24 O ATOM 625 CB PRO A 579 7.935 0.409 1.986 1.00 2.32 C ATOM 626 CG PRO A 579 8.339 1.658 2.692 1.00 24.20 C ATOM 627 CD PRO A 579 7.207 2.628 2.496 1.00 53.33 C ATOM 0 HA PRO A 579 5.904 -0.103 1.289 1.00 4.15 H new ATOM 0 HB2 PRO A 579 8.411 -0.467 2.427 1.00 2.32 H new ATOM 0 HB3 PRO A 579 8.226 0.436 0.936 1.00 2.32 H new ATOM 0 HG2 PRO A 579 8.512 1.469 3.751 1.00 24.20 H new ATOM 0 HG3 PRO A 579 9.268 2.055 2.283 1.00 24.20 H new ATOM 0 HD2 PRO A 579 7.090 3.288 3.355 1.00 53.33 H new ATOM 0 HD3 PRO A 579 7.369 3.264 1.625 1.00 53.33 H new ATOM 635 N GLN A 580 6.383 -0.043 4.533 1.00 0.24 N ATOM 636 CA GLN A 580 6.077 -0.771 5.758 1.00 22.12 C ATOM 637 C GLN A 580 4.632 -0.537 6.184 1.00 2.13 C ATOM 638 O GLN A 580 3.884 -1.485 6.422 1.00 25.30 O ATOM 639 CB GLN A 580 7.028 -0.347 6.879 1.00 14.33 C ATOM 640 CG GLN A 580 8.419 -0.948 6.759 1.00 50.02 C ATOM 641 CD GLN A 580 9.441 0.047 6.247 1.00 24.34 C ATOM 642 OE1 GLN A 580 10.154 -0.220 5.278 1.00 52.31 O ATOM 643 NE2 GLN A 580 9.521 1.202 6.897 1.00 4.33 N ATOM 0 H GLN A 580 6.878 0.837 4.678 1.00 0.24 H new ATOM 0 HA GLN A 580 6.210 -1.835 5.562 1.00 22.12 H new ATOM 0 HB2 GLN A 580 7.110 0.740 6.882 1.00 14.33 H new ATOM 0 HB3 GLN A 580 6.598 -0.637 7.838 1.00 14.33 H new ATOM 0 HG2 GLN A 580 8.736 -1.320 7.734 1.00 50.02 H new ATOM 0 HG3 GLN A 580 8.384 -1.805 6.087 1.00 50.02 H new ATOM 0 HE21 GLN A 580 8.911 1.382 7.695 1.00 4.33 H new ATOM 0 HE22 GLN A 580 10.192 1.910 6.599 1.00 4.33 H new ATOM 652 N GLN A 581 4.246 0.732 6.281 1.00 65.44 N ATOM 653 CA GLN A 581 2.891 1.089 6.679 1.00 1.14 C ATOM 654 C GLN A 581 1.862 0.258 5.920 1.00 65.25 C ATOM 655 O GLN A 581 1.022 -0.411 6.522 1.00 61.21 O ATOM 656 CB GLN A 581 2.640 2.579 6.436 1.00 63.40 C ATOM 657 CG GLN A 581 2.064 3.304 7.641 1.00 23.31 C ATOM 658 CD GLN A 581 2.055 4.809 7.467 1.00 43.44 C ATOM 659 OE1 GLN A 581 1.034 5.465 7.677 1.00 22.32 O ATOM 660 NE2 GLN A 581 3.196 5.367 7.080 1.00 42.14 N ATOM 0 H GLN A 581 4.853 1.529 6.089 1.00 65.44 H new ATOM 0 HA GLN A 581 2.786 0.879 7.743 1.00 1.14 H new ATOM 0 HB2 GLN A 581 3.578 3.055 6.151 1.00 63.40 H new ATOM 0 HB3 GLN A 581 1.957 2.691 5.594 1.00 63.40 H new ATOM 0 HG2 GLN A 581 1.046 2.956 7.817 1.00 23.31 H new ATOM 0 HG3 GLN A 581 2.646 3.048 8.527 1.00 23.31 H new ATOM 0 HE21 GLN A 581 4.018 4.786 6.917 1.00 42.14 H new ATOM 0 HE22 GLN A 581 3.250 6.377 6.946 1.00 42.14 H new ATOM 669 N LEU A 582 1.934 0.305 4.593 1.00 14.15 N ATOM 670 CA LEU A 582 1.009 -0.444 3.751 1.00 51.23 C ATOM 671 C LEU A 582 0.973 -1.915 4.154 1.00 54.35 C ATOM 672 O LEU A 582 -0.084 -2.544 4.151 1.00 53.34 O ATOM 673 CB LEU A 582 1.410 -0.316 2.280 1.00 43.14 C ATOM 674 CG LEU A 582 1.036 0.997 1.594 1.00 42.41 C ATOM 675 CD1 LEU A 582 1.592 1.038 0.178 1.00 13.14 C ATOM 676 CD2 LEU A 582 -0.474 1.181 1.581 1.00 52.11 C ATOM 0 H LEU A 582 2.623 0.854 4.079 1.00 14.15 H new ATOM 0 HA LEU A 582 0.012 -0.025 3.888 1.00 51.23 H new ATOM 0 HB2 LEU A 582 2.490 -0.447 2.206 1.00 43.14 H new ATOM 0 HB3 LEU A 582 0.951 -1.135 1.727 1.00 43.14 H new ATOM 0 HG LEU A 582 1.477 1.818 2.159 1.00 42.41 H new ATOM 0 HD11 LEU A 582 1.315 1.981 -0.294 1.00 13.14 H new ATOM 0 HD12 LEU A 582 2.678 0.954 0.211 1.00 13.14 H new ATOM 0 HD13 LEU A 582 1.181 0.209 -0.398 1.00 13.14 H new ATOM 0 HD21 LEU A 582 -0.722 2.121 1.089 1.00 52.11 H new ATOM 0 HD22 LEU A 582 -0.937 0.355 1.040 1.00 52.11 H new ATOM 0 HD23 LEU A 582 -0.847 1.198 2.605 1.00 52.11 H new ATOM 688 N ALA A 583 2.135 -2.456 4.502 1.00 45.30 N ATOM 689 CA ALA A 583 2.237 -3.851 4.912 1.00 43.11 C ATOM 690 C ALA A 583 1.248 -4.168 6.029 1.00 64.42 C ATOM 691 O ALA A 583 0.515 -5.155 5.961 1.00 5.41 O ATOM 692 CB ALA A 583 3.657 -4.170 5.355 1.00 51.13 C ATOM 0 H ALA A 583 3.020 -1.949 4.508 1.00 45.30 H new ATOM 0 HA ALA A 583 1.988 -4.475 4.054 1.00 43.11 H new ATOM 0 HB1 ALA A 583 3.717 -5.215 5.658 1.00 51.13 H new ATOM 0 HB2 ALA A 583 4.345 -3.992 4.528 1.00 51.13 H new ATOM 0 HB3 ALA A 583 3.928 -3.532 6.196 1.00 51.13 H new ATOM 698 N ALA A 584 1.235 -3.325 7.057 1.00 22.43 N ATOM 699 CA ALA A 584 0.335 -3.516 8.188 1.00 2.43 C ATOM 700 C ALA A 584 -1.104 -3.702 7.720 1.00 2.11 C ATOM 701 O ALA A 584 -1.875 -4.436 8.337 1.00 55.11 O ATOM 702 CB ALA A 584 0.434 -2.336 9.144 1.00 14.41 C ATOM 0 H ALA A 584 1.837 -2.505 7.130 1.00 22.43 H new ATOM 0 HA ALA A 584 0.637 -4.422 8.713 1.00 2.43 H new ATOM 0 HB1 ALA A 584 -0.243 -2.491 9.984 1.00 14.41 H new ATOM 0 HB2 ALA A 584 1.456 -2.251 9.512 1.00 14.41 H new ATOM 0 HB3 ALA A 584 0.160 -1.420 8.621 1.00 14.41 H new ATOM 708 N GLU A 585 -1.458 -3.033 6.628 1.00 44.33 N ATOM 709 CA GLU A 585 -2.805 -3.125 6.079 1.00 52.42 C ATOM 710 C GLU A 585 -2.989 -4.425 5.303 1.00 75.41 C ATOM 711 O GLU A 585 -4.078 -5.002 5.287 1.00 21.12 O ATOM 712 CB GLU A 585 -3.091 -1.929 5.167 1.00 62.12 C ATOM 713 CG GLU A 585 -2.991 -0.587 5.873 1.00 74.55 C ATOM 714 CD GLU A 585 -2.244 0.448 5.054 1.00 22.23 C ATOM 715 OE1 GLU A 585 -1.379 1.143 5.626 1.00 43.21 O ATOM 716 OE2 GLU A 585 -2.524 0.562 3.843 1.00 10.01 O ATOM 0 H GLU A 585 -0.831 -2.421 6.106 1.00 44.33 H new ATOM 0 HA GLU A 585 -3.510 -3.116 6.911 1.00 52.42 H new ATOM 0 HB2 GLU A 585 -2.390 -1.944 4.332 1.00 62.12 H new ATOM 0 HB3 GLU A 585 -4.091 -2.035 4.746 1.00 62.12 H new ATOM 0 HG2 GLU A 585 -3.994 -0.219 6.090 1.00 74.55 H new ATOM 0 HG3 GLU A 585 -2.487 -0.721 6.830 1.00 74.55 H new ATOM 724 N ILE A 586 -1.920 -4.881 4.661 1.00 65.14 N ATOM 725 CA ILE A 586 -1.963 -6.114 3.884 1.00 63.30 C ATOM 726 C ILE A 586 -2.236 -7.318 4.779 1.00 54.23 C ATOM 727 O ILE A 586 -3.129 -8.122 4.501 1.00 2.54 O ATOM 728 CB ILE A 586 -0.644 -6.345 3.121 1.00 54.13 C ATOM 729 CG1 ILE A 586 -0.363 -5.172 2.179 1.00 32.31 C ATOM 730 CG2 ILE A 586 -0.704 -7.653 2.345 1.00 50.52 C ATOM 731 CD1 ILE A 586 1.073 -5.105 1.711 1.00 62.34 C ATOM 0 H ILE A 586 -1.012 -4.415 4.663 1.00 65.14 H new ATOM 0 HA ILE A 586 -2.775 -6.006 3.165 1.00 63.30 H new ATOM 0 HB ILE A 586 0.171 -6.410 3.842 1.00 54.13 H new ATOM 0 HG12 ILE A 586 -1.017 -5.249 1.310 1.00 32.31 H new ATOM 0 HG13 ILE A 586 -0.615 -4.241 2.686 1.00 32.31 H new ATOM 0 HG21 ILE A 586 0.234 -7.803 1.811 1.00 50.52 H new ATOM 0 HG22 ILE A 586 -0.864 -8.480 3.037 1.00 50.52 H new ATOM 0 HG23 ILE A 586 -1.526 -7.615 1.630 1.00 50.52 H new ATOM 0 HD11 ILE A 586 1.200 -4.250 1.047 1.00 62.34 H new ATOM 0 HD12 ILE A 586 1.732 -4.996 2.573 1.00 62.34 H new ATOM 0 HD13 ILE A 586 1.324 -6.021 1.175 1.00 62.34 H new ATOM 743 N LEU A 587 -1.466 -7.437 5.854 1.00 44.11 N ATOM 744 CA LEU A 587 -1.627 -8.542 6.792 1.00 23.41 C ATOM 745 C LEU A 587 -3.075 -8.655 7.258 1.00 4.21 C ATOM 746 O LEU A 587 -3.577 -9.754 7.495 1.00 13.11 O ATOM 747 CB LEU A 587 -0.704 -8.354 7.997 1.00 1.31 C ATOM 748 CG LEU A 587 0.752 -8.778 7.801 1.00 71.25 C ATOM 749 CD1 LEU A 587 1.682 -7.888 8.610 1.00 12.45 C ATOM 750 CD2 LEU A 587 0.939 -10.238 8.187 1.00 71.33 C ATOM 0 H LEU A 587 -0.723 -6.782 6.098 1.00 44.11 H new ATOM 0 HA LEU A 587 -1.358 -9.464 6.277 1.00 23.41 H new ATOM 0 HB2 LEU A 587 -0.720 -7.302 8.281 1.00 1.31 H new ATOM 0 HB3 LEU A 587 -1.115 -8.916 8.835 1.00 1.31 H new ATOM 0 HG LEU A 587 1.003 -8.666 6.746 1.00 71.25 H new ATOM 0 HD11 LEU A 587 2.713 -8.206 8.457 1.00 12.45 H new ATOM 0 HD12 LEU A 587 1.569 -6.854 8.286 1.00 12.45 H new ATOM 0 HD13 LEU A 587 1.431 -7.966 9.668 1.00 12.45 H new ATOM 0 HD21 LEU A 587 1.981 -10.522 8.041 1.00 71.33 H new ATOM 0 HD22 LEU A 587 0.669 -10.375 9.234 1.00 71.33 H new ATOM 0 HD23 LEU A 587 0.301 -10.864 7.563 1.00 71.33 H new ATOM 762 N SER A 588 -3.740 -7.511 7.387 1.00 70.42 N ATOM 763 CA SER A 588 -5.130 -7.481 7.827 1.00 63.55 C ATOM 764 C SER A 588 -6.069 -7.852 6.683 1.00 54.52 C ATOM 765 O SER A 588 -7.047 -8.575 6.876 1.00 5.54 O ATOM 766 CB SER A 588 -5.485 -6.095 8.366 1.00 15.22 C ATOM 767 OG SER A 588 -6.009 -5.267 7.341 1.00 20.44 O ATOM 0 H SER A 588 -3.339 -6.593 7.193 1.00 70.42 H new ATOM 0 HA SER A 588 -5.250 -8.214 8.624 1.00 63.55 H new ATOM 0 HB2 SER A 588 -6.215 -6.190 9.170 1.00 15.22 H new ATOM 0 HB3 SER A 588 -4.597 -5.630 8.795 1.00 15.22 H new ATOM 0 HG SER A 588 -5.328 -5.131 6.650 1.00 20.44 H new ATOM 773 N TYR A 589 -5.767 -7.349 5.491 1.00 5.24 N ATOM 774 CA TYR A 589 -6.584 -7.624 4.315 1.00 14.44 C ATOM 775 C TYR A 589 -6.511 -9.099 3.934 1.00 51.34 C ATOM 776 O TYR A 589 -7.466 -9.662 3.396 1.00 42.32 O ATOM 777 CB TYR A 589 -6.130 -6.758 3.139 1.00 73.31 C ATOM 778 CG TYR A 589 -6.789 -7.124 1.828 1.00 62.10 C ATOM 779 CD1 TYR A 589 -8.136 -6.863 1.608 1.00 14.35 C ATOM 780 CD2 TYR A 589 -6.065 -7.732 0.810 1.00 31.53 C ATOM 781 CE1 TYR A 589 -8.742 -7.196 0.413 1.00 71.53 C ATOM 782 CE2 TYR A 589 -6.663 -8.068 -0.389 1.00 32.13 C ATOM 783 CZ TYR A 589 -8.002 -7.798 -0.583 1.00 63.20 C ATOM 784 OH TYR A 589 -8.601 -8.132 -1.775 1.00 52.13 O ATOM 0 H TYR A 589 -4.962 -6.748 5.314 1.00 5.24 H new ATOM 0 HA TYR A 589 -7.619 -7.381 4.558 1.00 14.44 H new ATOM 0 HB2 TYR A 589 -6.344 -5.713 3.364 1.00 73.31 H new ATOM 0 HB3 TYR A 589 -5.049 -6.846 3.030 1.00 73.31 H new ATOM 0 HD1 TYR A 589 -8.719 -6.391 2.385 1.00 14.35 H new ATOM 0 HD2 TYR A 589 -5.017 -7.946 0.959 1.00 31.53 H new ATOM 0 HE1 TYR A 589 -9.790 -6.986 0.259 1.00 71.53 H new ATOM 0 HE2 TYR A 589 -6.085 -8.540 -1.170 1.00 32.13 H new ATOM 0 HH TYR A 589 -7.940 -8.547 -2.368 1.00 52.13 H new ATOM 794 N LYS A 590 -5.373 -9.722 4.217 1.00 5.45 N ATOM 795 CA LYS A 590 -5.172 -11.132 3.908 1.00 52.44 C ATOM 796 C LYS A 590 -5.919 -12.019 4.899 1.00 4.31 C ATOM 797 O LYS A 590 -6.699 -12.886 4.507 1.00 52.44 O ATOM 798 CB LYS A 590 -3.681 -11.473 3.924 1.00 2.33 C ATOM 799 CG LYS A 590 -2.946 -11.052 2.663 1.00 70.14 C ATOM 800 CD LYS A 590 -2.935 -12.165 1.628 1.00 42.24 C ATOM 801 CE LYS A 590 -1.683 -12.109 0.765 1.00 72.23 C ATOM 802 NZ LYS A 590 -1.804 -12.974 -0.442 1.00 43.22 N ATOM 0 H LYS A 590 -4.573 -9.271 4.661 1.00 5.45 H new ATOM 0 HA LYS A 590 -5.569 -11.319 2.910 1.00 52.44 H new ATOM 0 HB2 LYS A 590 -3.216 -10.990 4.784 1.00 2.33 H new ATOM 0 HB3 LYS A 590 -3.564 -12.548 4.060 1.00 2.33 H new ATOM 0 HG2 LYS A 590 -3.422 -10.166 2.242 1.00 70.14 H new ATOM 0 HG3 LYS A 590 -1.922 -10.775 2.913 1.00 70.14 H new ATOM 0 HD2 LYS A 590 -2.990 -13.131 2.130 1.00 42.24 H new ATOM 0 HD3 LYS A 590 -3.819 -12.084 0.995 1.00 42.24 H new ATOM 0 HE2 LYS A 590 -1.499 -11.080 0.457 1.00 72.23 H new ATOM 0 HE3 LYS A 590 -0.821 -12.425 1.353 1.00 72.23 H new ATOM 0 HZ1 LYS A 590 -0.932 -12.909 -1.004 1.00 43.22 H new ATOM 0 HZ2 LYS A 590 -1.954 -13.960 -0.149 1.00 43.22 H new ATOM 0 HZ3 LYS A 590 -2.611 -12.657 -1.017 1.00 43.22 H new ATOM 816 N SER A 591 -5.675 -11.794 6.186 1.00 22.31 N ATOM 817 CA SER A 591 -6.322 -12.574 7.235 1.00 50.43 C ATOM 818 C SER A 591 -7.840 -12.502 7.105 1.00 32.35 C ATOM 819 O SER A 591 -8.553 -13.407 7.540 1.00 14.13 O ATOM 820 CB SER A 591 -5.891 -12.071 8.614 1.00 13.41 C ATOM 821 OG SER A 591 -6.546 -12.788 9.646 1.00 43.25 O ATOM 0 H SER A 591 -5.034 -11.078 6.528 1.00 22.31 H new ATOM 0 HA SER A 591 -6.014 -13.614 7.124 1.00 50.43 H new ATOM 0 HB2 SER A 591 -4.812 -12.177 8.722 1.00 13.41 H new ATOM 0 HB3 SER A 591 -6.118 -11.009 8.704 1.00 13.41 H new ATOM 0 HG SER A 591 -6.252 -12.449 10.517 1.00 43.25 H new ATOM 827 N GLN A 592 -8.326 -11.420 6.506 1.00 13.14 N ATOM 828 CA GLN A 592 -9.761 -11.230 6.321 1.00 5.33 C ATOM 829 C GLN A 592 -10.371 -12.400 5.558 1.00 40.25 C ATOM 830 O GLN A 592 -11.470 -12.855 5.875 1.00 73.32 O ATOM 831 CB GLN A 592 -10.030 -9.921 5.575 1.00 32.14 C ATOM 832 CG GLN A 592 -10.007 -8.694 6.471 1.00 11.15 C ATOM 833 CD GLN A 592 -11.397 -8.220 6.847 1.00 10.03 C ATOM 834 OE1 GLN A 592 -12.185 -8.968 7.427 1.00 3.21 O ATOM 835 NE2 GLN A 592 -11.707 -6.971 6.518 1.00 11.23 N ATOM 0 H GLN A 592 -7.749 -10.662 6.141 1.00 13.14 H new ATOM 0 HA GLN A 592 -10.227 -11.181 7.305 1.00 5.33 H new ATOM 0 HB2 GLN A 592 -9.284 -9.801 4.789 1.00 32.14 H new ATOM 0 HB3 GLN A 592 -11.002 -9.985 5.085 1.00 32.14 H new ATOM 0 HG2 GLN A 592 -9.447 -8.922 7.378 1.00 11.15 H new ATOM 0 HG3 GLN A 592 -9.477 -7.888 5.963 1.00 11.15 H new ATOM 0 HE21 GLN A 592 -11.024 -6.385 6.038 1.00 11.23 H new ATOM 0 HE22 GLN A 592 -12.628 -6.597 6.746 1.00 11.23 H new ATOM 844 N HIS A 593 -9.652 -12.882 4.549 1.00 23.22 N ATOM 845 CA HIS A 593 -10.123 -14.000 3.739 1.00 5.34 C ATOM 846 C HIS A 593 -9.359 -15.276 4.079 1.00 63.11 C ATOM 847 O HIS A 593 -9.157 -16.138 3.222 1.00 34.41 O ATOM 848 CB HIS A 593 -9.970 -13.680 2.253 1.00 61.23 C ATOM 849 CG HIS A 593 -10.959 -12.673 1.752 1.00 62.35 C ATOM 850 ND1 HIS A 593 -11.745 -12.880 0.638 1.00 72.13 N ATOM 851 CD2 HIS A 593 -11.288 -11.447 2.221 1.00 75.25 C ATOM 852 CE1 HIS A 593 -12.514 -11.824 0.442 1.00 74.31 C ATOM 853 NE2 HIS A 593 -12.257 -10.940 1.390 1.00 50.34 N ATOM 0 H HIS A 593 -8.741 -12.516 4.273 1.00 23.22 H new ATOM 0 HA HIS A 593 -11.178 -14.159 3.961 1.00 5.34 H new ATOM 0 HB2 HIS A 593 -8.962 -13.308 2.072 1.00 61.23 H new ATOM 0 HB3 HIS A 593 -10.078 -14.600 1.679 1.00 61.23 H new ATOM 0 HD2 HIS A 593 -10.867 -10.958 3.087 1.00 75.25 H new ATOM 0 HE1 HIS A 593 -13.231 -11.704 -0.357 1.00 74.31 H new ATOM 0 HE2 HIS A 593 -12.705 -10.029 1.489 1.00 50.34 H new ATOM 862 N LEU A 594 -8.935 -15.390 5.333 1.00 61.21 N ATOM 863 CA LEU A 594 -8.192 -16.562 5.785 1.00 34.33 C ATOM 864 C LEU A 594 -8.487 -16.860 7.252 1.00 4.14 C ATOM 865 O LEU A 594 -8.213 -16.042 8.129 1.00 31.20 O ATOM 866 CB LEU A 594 -6.691 -16.345 5.589 1.00 31.32 C ATOM 867 CG LEU A 594 -5.807 -17.582 5.757 1.00 3.35 C ATOM 868 CD1 LEU A 594 -4.561 -17.468 4.894 1.00 44.33 C ATOM 869 CD2 LEU A 594 -5.429 -17.772 7.219 1.00 51.13 C ATOM 0 H LEU A 594 -9.093 -14.686 6.054 1.00 61.21 H new ATOM 0 HA LEU A 594 -8.510 -17.417 5.188 1.00 34.33 H new ATOM 0 HB2 LEU A 594 -6.530 -15.941 4.590 1.00 31.32 H new ATOM 0 HB3 LEU A 594 -6.358 -15.586 6.297 1.00 31.32 H new ATOM 0 HG LEU A 594 -6.371 -18.456 5.431 1.00 3.35 H new ATOM 0 HD11 LEU A 594 -3.944 -18.357 5.026 1.00 44.33 H new ATOM 0 HD12 LEU A 594 -4.850 -17.380 3.847 1.00 44.33 H new ATOM 0 HD13 LEU A 594 -3.994 -16.585 5.189 1.00 44.33 H new ATOM 0 HD21 LEU A 594 -4.800 -18.657 7.320 1.00 51.13 H new ATOM 0 HD22 LEU A 594 -4.883 -16.896 7.570 1.00 51.13 H new ATOM 0 HD23 LEU A 594 -6.333 -17.899 7.815 1.00 51.13 H new ATOM 881 N SER A 595 -9.045 -18.038 7.510 1.00 23.44 N ATOM 882 CA SER A 595 -9.379 -18.445 8.871 1.00 40.50 C ATOM 883 C SER A 595 -8.599 -19.694 9.271 1.00 1.00 C ATOM 884 O SER A 595 -8.254 -20.520 8.427 1.00 42.21 O ATOM 885 CB SER A 595 -10.881 -18.707 8.993 1.00 11.25 C ATOM 886 OG SER A 595 -11.295 -18.674 10.348 1.00 21.20 O ATOM 0 H SER A 595 -9.276 -18.728 6.795 1.00 23.44 H new ATOM 0 HA SER A 595 -9.103 -17.634 9.545 1.00 40.50 H new ATOM 0 HB2 SER A 595 -11.432 -17.959 8.423 1.00 11.25 H new ATOM 0 HB3 SER A 595 -11.121 -19.678 8.560 1.00 11.25 H new ATOM 0 HG SER A 595 -12.259 -18.842 10.400 1.00 21.20 H new ATOM 892 N GLU A 596 -8.325 -19.823 10.565 1.00 10.23 N ATOM 893 CA GLU A 596 -7.585 -20.970 11.078 1.00 12.44 C ATOM 894 C GLU A 596 -8.466 -22.216 11.108 1.00 25.31 C ATOM 895 O GLU A 596 -9.056 -22.546 12.135 1.00 32.44 O ATOM 896 CB GLU A 596 -7.052 -20.675 12.481 1.00 1.04 C ATOM 897 CG GLU A 596 -6.082 -19.507 12.531 1.00 23.13 C ATOM 898 CD GLU A 596 -5.766 -19.070 13.949 1.00 23.33 C ATOM 899 OE1 GLU A 596 -5.325 -19.924 14.747 1.00 12.32 O ATOM 900 OE2 GLU A 596 -5.959 -17.876 14.260 1.00 71.51 O ATOM 0 H GLU A 596 -8.604 -19.148 11.277 1.00 10.23 H new ATOM 0 HA GLU A 596 -6.744 -21.156 10.410 1.00 12.44 H new ATOM 0 HB2 GLU A 596 -7.892 -20.467 13.143 1.00 1.04 H new ATOM 0 HB3 GLU A 596 -6.555 -21.565 12.866 1.00 1.04 H new ATOM 0 HG2 GLU A 596 -5.157 -19.786 12.026 1.00 23.13 H new ATOM 0 HG3 GLU A 596 -6.504 -18.666 11.981 1.00 23.13 H new TER 908 GLU A 596