USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 374 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 687 SER OG : rot 180:sc= -0.388 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 98:sc= 1.26 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.171 (180deg=-1.05) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 74:sc= 0.632 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 2.921 1.278 -13.612 1.00 1.00 N ATOM 2 CA PRO A 685 3.678 0.945 -12.377 1.00 1.00 C ATOM 3 C PRO A 685 4.540 2.130 -11.953 1.00 1.00 C ATOM 4 O PRO A 685 4.572 2.495 -10.778 1.00 1.00 O ATOM 5 CB PRO A 685 4.565 -0.259 -12.668 1.00 1.00 C ATOM 6 CG PRO A 685 4.474 -0.466 -14.147 1.00 1.00 C ATOM 7 CD PRO A 685 3.200 0.239 -14.641 1.00 1.00 C ATOM 0 HA PRO A 685 2.984 0.716 -11.568 1.00 1.00 H new ATOM 0 HB2 PRO A 685 5.594 -0.074 -12.359 1.00 1.00 H new ATOM 0 HB3 PRO A 685 4.223 -1.140 -12.125 1.00 1.00 H new ATOM 0 HG2 PRO A 685 5.354 -0.059 -14.645 1.00 1.00 H new ATOM 0 HG3 PRO A 685 4.438 -1.530 -14.383 1.00 1.00 H new ATOM 0 HD2 PRO A 685 3.350 0.685 -15.624 1.00 1.00 H new ATOM 0 HD3 PRO A 685 2.370 -0.461 -14.732 1.00 1.00 H new ATOM 17 N GLU A 686 5.243 2.723 -12.912 1.00 1.00 N ATOM 18 CA GLU A 686 6.102 3.866 -12.614 1.00 1.00 C ATOM 19 C GLU A 686 5.266 5.022 -12.075 1.00 1.00 C ATOM 20 O GLU A 686 4.122 5.213 -12.486 1.00 1.00 O ATOM 21 CB GLU A 686 6.837 4.310 -13.883 1.00 1.00 C ATOM 22 CG GLU A 686 7.837 5.431 -13.557 1.00 1.00 C ATOM 23 CD GLU A 686 9.009 4.879 -12.750 1.00 1.00 C ATOM 24 OE1 GLU A 686 9.073 3.673 -12.577 1.00 1.00 O ATOM 25 OE2 GLU A 686 9.829 5.675 -12.322 1.00 1.00 O ATOM 0 H GLU A 686 5.237 2.437 -13.891 1.00 1.00 H new ATOM 0 HA GLU A 686 6.832 3.571 -11.860 1.00 1.00 H new ATOM 0 HB2 GLU A 686 7.362 3.462 -14.323 1.00 1.00 H new ATOM 0 HB3 GLU A 686 6.118 4.659 -14.624 1.00 1.00 H new ATOM 0 HG2 GLU A 686 8.202 5.881 -14.480 1.00 1.00 H new ATOM 0 HG3 GLU A 686 7.338 6.220 -12.994 1.00 1.00 H new ATOM 32 N SER A 687 5.846 5.794 -11.162 1.00 1.00 N ATOM 33 CA SER A 687 5.143 6.934 -10.584 1.00 1.00 C ATOM 34 C SER A 687 6.146 7.952 -10.030 1.00 1.00 C ATOM 35 O SER A 687 7.346 7.683 -9.999 1.00 1.00 O ATOM 36 CB SER A 687 4.219 6.454 -9.466 1.00 1.00 C ATOM 37 OG SER A 687 4.707 6.934 -8.222 1.00 1.00 O ATOM 0 H SER A 687 6.792 5.653 -10.809 1.00 1.00 H new ATOM 0 HA SER A 687 4.550 7.415 -11.362 1.00 1.00 H new ATOM 0 HB2 SER A 687 3.204 6.814 -9.636 1.00 1.00 H new ATOM 0 HB3 SER A 687 4.174 5.365 -9.457 1.00 1.00 H new ATOM 0 HG SER A 687 4.117 6.631 -7.500 1.00 1.00 H new ATOM 43 N PRO A 688 5.688 9.105 -9.595 1.00 1.00 N ATOM 44 CA PRO A 688 6.586 10.161 -9.038 1.00 1.00 C ATOM 45 C PRO A 688 7.454 9.628 -7.908 1.00 1.00 C ATOM 46 O PRO A 688 8.628 9.981 -7.793 1.00 1.00 O ATOM 47 CB PRO A 688 5.629 11.237 -8.517 1.00 1.00 C ATOM 48 CG PRO A 688 4.351 11.023 -9.255 1.00 1.00 C ATOM 49 CD PRO A 688 4.280 9.532 -9.583 1.00 1.00 C ATOM 0 HA PRO A 688 7.280 10.536 -9.790 1.00 1.00 H new ATOM 0 HB2 PRO A 688 5.481 11.144 -7.441 1.00 1.00 H new ATOM 0 HB3 PRO A 688 6.025 12.236 -8.699 1.00 1.00 H new ATOM 0 HG2 PRO A 688 3.498 11.327 -8.649 1.00 1.00 H new ATOM 0 HG3 PRO A 688 4.325 11.622 -10.166 1.00 1.00 H new ATOM 0 HD2 PRO A 688 3.703 8.986 -8.837 1.00 1.00 H new ATOM 0 HD3 PRO A 688 3.801 9.357 -10.546 1.00 1.00 H new ATOM 57 N LYS A 689 6.876 8.770 -7.076 1.00 1.00 N ATOM 58 CA LYS A 689 7.618 8.193 -5.966 1.00 1.00 C ATOM 59 C LYS A 689 8.781 7.358 -6.493 1.00 1.00 C ATOM 60 O LYS A 689 9.887 7.419 -5.959 1.00 1.00 O ATOM 61 CB LYS A 689 6.702 7.319 -5.104 1.00 1.00 C ATOM 62 CG LYS A 689 5.683 8.197 -4.370 1.00 1.00 C ATOM 63 CD LYS A 689 4.771 7.315 -3.517 1.00 1.00 C ATOM 64 CE LYS A 689 3.770 8.194 -2.769 1.00 1.00 C ATOM 65 NZ LYS A 689 2.884 7.332 -1.940 1.00 1.00 N ATOM 0 H LYS A 689 5.906 8.462 -7.148 1.00 1.00 H new ATOM 0 HA LYS A 689 8.007 9.005 -5.352 1.00 1.00 H new ATOM 0 HB2 LYS A 689 6.185 6.592 -5.730 1.00 1.00 H new ATOM 0 HB3 LYS A 689 7.295 6.755 -4.384 1.00 1.00 H new ATOM 0 HG2 LYS A 689 6.199 8.922 -3.740 1.00 1.00 H new ATOM 0 HG3 LYS A 689 5.091 8.763 -5.089 1.00 1.00 H new ATOM 0 HD2 LYS A 689 4.243 6.600 -4.149 1.00 1.00 H new ATOM 0 HD3 LYS A 689 5.364 6.737 -2.809 1.00 1.00 H new ATOM 0 HE2 LYS A 689 4.297 8.909 -2.137 1.00 1.00 H new ATOM 0 HE3 LYS A 689 3.176 8.772 -3.477 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 2.201 7.926 -1.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 2.373 6.667 -2.555 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 3.459 6.799 -1.256 1.00 1.00 H new ATOM 79 N GLY A 690 8.529 6.583 -7.545 1.00 1.00 N ATOM 80 CA GLY A 690 9.573 5.744 -8.124 1.00 1.00 C ATOM 81 C GLY A 690 10.341 5.019 -7.024 1.00 1.00 C ATOM 82 O GLY A 690 9.966 5.079 -5.853 1.00 1.00 O ATOM 0 H GLY A 690 7.623 6.519 -8.009 1.00 1.00 H new ATOM 0 HA2 GLY A 690 9.129 5.018 -8.806 1.00 1.00 H new ATOM 0 HA3 GLY A 690 10.257 6.357 -8.711 1.00 1.00 H new ATOM 86 N PRO A 691 11.403 4.345 -7.375 1.00 1.00 N ATOM 87 CA PRO A 691 12.245 3.606 -6.389 1.00 1.00 C ATOM 88 C PRO A 691 12.811 4.530 -5.313 1.00 1.00 C ATOM 89 O PRO A 691 13.187 5.669 -5.594 1.00 1.00 O ATOM 90 CB PRO A 691 13.381 3.015 -7.231 1.00 1.00 C ATOM 91 CG PRO A 691 12.905 3.053 -8.646 1.00 1.00 C ATOM 92 CD PRO A 691 11.906 4.202 -8.747 1.00 1.00 C ATOM 0 HA PRO A 691 11.667 2.852 -5.855 1.00 1.00 H new ATOM 0 HB2 PRO A 691 14.297 3.593 -7.112 1.00 1.00 H new ATOM 0 HB3 PRO A 691 13.606 1.994 -6.922 1.00 1.00 H new ATOM 0 HG2 PRO A 691 13.740 3.206 -9.330 1.00 1.00 H new ATOM 0 HG3 PRO A 691 12.436 2.108 -8.921 1.00 1.00 H new ATOM 0 HD2 PRO A 691 12.383 5.118 -9.097 1.00 1.00 H new ATOM 0 HD3 PRO A 691 11.102 3.974 -9.447 1.00 1.00 H new ATOM 100 N ASP A 692 12.866 4.033 -4.084 1.00 1.00 N ATOM 101 CA ASP A 692 13.383 4.827 -2.981 1.00 1.00 C ATOM 102 C ASP A 692 14.866 5.117 -3.194 1.00 1.00 C ATOM 103 O ASP A 692 15.634 4.253 -3.618 1.00 1.00 O ATOM 104 CB ASP A 692 13.180 4.089 -1.650 1.00 1.00 C ATOM 105 CG ASP A 692 11.717 4.174 -1.212 1.00 1.00 C ATOM 106 OD1 ASP A 692 10.986 4.955 -1.799 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.352 3.457 -0.295 1.00 1.00 O ATOM 0 H ASP A 692 12.562 3.093 -3.829 1.00 1.00 H new ATOM 0 HA ASP A 692 12.837 5.770 -2.946 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.474 3.045 -1.757 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.822 4.524 -0.884 1.00 1.00 H new ATOM 112 N ILE A 693 15.250 6.345 -2.873 1.00 1.00 N ATOM 113 CA ILE A 693 16.634 6.776 -2.995 1.00 1.00 C ATOM 114 C ILE A 693 17.467 6.110 -1.915 1.00 1.00 C ATOM 115 O ILE A 693 18.638 5.783 -2.115 1.00 1.00 O ATOM 116 CB ILE A 693 16.711 8.292 -2.847 1.00 1.00 C ATOM 117 CG1 ILE A 693 18.120 8.778 -3.205 1.00 1.00 C ATOM 118 CG2 ILE A 693 16.385 8.664 -1.400 1.00 1.00 C ATOM 119 CD1 ILE A 693 18.108 10.301 -3.348 1.00 1.00 C ATOM 0 H ILE A 693 14.617 7.064 -2.524 1.00 1.00 H new ATOM 0 HA ILE A 693 17.020 6.492 -3.974 1.00 1.00 H new ATOM 0 HB ILE A 693 15.995 8.765 -3.519 1.00 1.00 H new ATOM 0 HG12 ILE A 693 18.828 8.479 -2.432 1.00 1.00 H new ATOM 0 HG13 ILE A 693 18.451 8.316 -4.135 1.00 1.00 H new ATOM 0 HG21 ILE A 693 16.437 9.746 -1.282 1.00 1.00 H new ATOM 0 HG22 ILE A 693 15.381 8.320 -1.153 1.00 1.00 H new ATOM 0 HG23 ILE A 693 17.105 8.191 -0.732 1.00 1.00 H new ATOM 0 HD11 ILE A 693 19.109 10.650 -3.603 1.00 1.00 H new ATOM 0 HD12 ILE A 693 17.412 10.587 -4.137 1.00 1.00 H new ATOM 0 HD13 ILE A 693 17.795 10.752 -2.407 1.00 1.00 H new ATOM 131 N LEU A 694 16.842 5.937 -0.756 1.00 1.00 N ATOM 132 CA LEU A 694 17.504 5.333 0.386 1.00 1.00 C ATOM 133 C LEU A 694 17.895 3.890 0.087 1.00 1.00 C ATOM 134 O LEU A 694 18.968 3.435 0.483 1.00 1.00 O ATOM 135 CB LEU A 694 16.580 5.353 1.606 1.00 1.00 C ATOM 136 CG LEU A 694 16.342 6.793 2.081 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.296 6.788 3.196 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.642 7.399 2.623 1.00 1.00 C ATOM 0 H LEU A 694 15.874 6.209 -0.586 1.00 1.00 H new ATOM 0 HA LEU A 694 18.404 5.912 0.594 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.628 4.885 1.355 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.021 4.767 2.412 1.00 1.00 H new ATOM 0 HG LEU A 694 15.994 7.389 1.237 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.123 7.809 3.537 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.363 6.369 2.818 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.655 6.183 4.029 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.456 8.420 2.956 1.00 1.00 H new ATOM 0 HD22 LEU A 694 17.999 6.803 3.463 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.396 7.405 1.836 1.00 1.00 H new ATOM 150 N VAL A 695 17.009 3.166 -0.596 1.00 1.00 N ATOM 151 CA VAL A 695 17.252 1.762 -0.925 1.00 1.00 C ATOM 152 C VAL A 695 18.477 1.608 -1.824 1.00 1.00 C ATOM 153 O VAL A 695 19.291 0.706 -1.625 1.00 1.00 O ATOM 154 CB VAL A 695 16.012 1.156 -1.603 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.359 -0.202 -2.215 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.908 0.947 -0.564 1.00 1.00 C ATOM 0 H VAL A 695 16.117 3.528 -0.932 1.00 1.00 H new ATOM 0 HA VAL A 695 17.449 1.225 0.003 1.00 1.00 H new ATOM 0 HB VAL A 695 15.674 1.839 -2.383 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.474 -0.623 -2.693 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.147 -0.076 -2.958 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.704 -0.877 -1.431 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.030 0.517 -1.047 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.263 0.269 0.213 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.643 1.905 -0.117 1.00 1.00 H new ATOM 166 N VAL A 696 18.611 2.494 -2.807 1.00 1.00 N ATOM 167 CA VAL A 696 19.755 2.435 -3.712 1.00 1.00 C ATOM 168 C VAL A 696 21.048 2.640 -2.931 1.00 1.00 C ATOM 169 O VAL A 696 22.020 1.903 -3.100 1.00 1.00 O ATOM 170 CB VAL A 696 19.636 3.511 -4.795 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.933 3.566 -5.611 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.465 3.175 -5.722 1.00 1.00 C ATOM 0 H VAL A 696 17.953 3.250 -2.996 1.00 1.00 H new ATOM 0 HA VAL A 696 19.770 1.454 -4.187 1.00 1.00 H new ATOM 0 HB VAL A 696 19.463 4.479 -4.325 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.846 4.332 -6.381 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.767 3.807 -4.952 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.109 2.598 -6.081 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.380 3.941 -6.493 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.638 2.206 -6.190 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.542 3.139 -5.144 1.00 1.00 H new ATOM 182 N LEU A 697 21.049 3.661 -2.081 1.00 1.00 N ATOM 183 CA LEU A 697 22.230 3.970 -1.282 1.00 1.00 C ATOM 184 C LEU A 697 22.557 2.827 -0.317 1.00 1.00 C ATOM 185 O LEU A 697 23.723 2.470 -0.139 1.00 1.00 O ATOM 186 CB LEU A 697 21.994 5.258 -0.487 1.00 1.00 C ATOM 187 CG LEU A 697 21.902 6.455 -1.448 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.479 7.705 -0.673 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.262 6.711 -2.112 1.00 1.00 C ATOM 0 H LEU A 697 20.255 4.283 -1.928 1.00 1.00 H new ATOM 0 HA LEU A 697 23.074 4.102 -1.959 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.075 5.175 0.093 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.807 5.412 0.223 1.00 1.00 H new ATOM 0 HG LEU A 697 21.164 6.229 -2.218 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.414 8.552 -1.356 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.506 7.535 -0.212 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.215 7.919 0.102 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.182 7.561 -2.790 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.006 6.927 -1.345 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.565 5.827 -2.673 1.00 1.00 H new ATOM 201 N LEU A 698 21.518 2.263 0.304 1.00 1.00 N ATOM 202 CA LEU A 698 21.684 1.161 1.253 1.00 1.00 C ATOM 203 C LEU A 698 22.296 -0.053 0.566 1.00 1.00 C ATOM 204 O LEU A 698 23.122 -0.765 1.140 1.00 1.00 O ATOM 205 CB LEU A 698 20.324 0.768 1.840 1.00 1.00 C ATOM 206 CG LEU A 698 19.924 1.735 2.959 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.467 1.465 3.343 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.827 1.530 4.188 1.00 1.00 C ATOM 0 H LEU A 698 20.550 2.553 0.165 1.00 1.00 H new ATOM 0 HA LEU A 698 22.350 1.495 2.049 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.567 0.776 1.056 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.369 -0.249 2.229 1.00 1.00 H new ATOM 0 HG LEU A 698 20.037 2.762 2.611 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.168 2.147 4.139 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.827 1.619 2.474 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.367 0.436 3.689 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.532 2.223 4.976 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.724 0.506 4.548 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.865 1.715 3.912 1.00 1.00 H new ATOM 220 N SER A 699 21.873 -0.278 -0.672 1.00 1.00 N ATOM 221 CA SER A 699 22.364 -1.397 -1.462 1.00 1.00 C ATOM 222 C SER A 699 23.840 -1.210 -1.816 1.00 1.00 C ATOM 223 O SER A 699 24.616 -2.165 -1.802 1.00 1.00 O ATOM 224 CB SER A 699 21.542 -1.524 -2.747 1.00 1.00 C ATOM 225 OG SER A 699 20.159 -1.620 -2.420 1.00 1.00 O ATOM 0 H SER A 699 21.187 0.305 -1.152 1.00 1.00 H new ATOM 0 HA SER A 699 22.262 -2.306 -0.868 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.715 -0.660 -3.389 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.856 -2.405 -3.306 1.00 1.00 H new ATOM 0 HG SER A 699 19.740 -0.739 -2.508 1.00 1.00 H new ATOM 231 N VAL A 700 24.209 0.026 -2.153 1.00 1.00 N ATOM 232 CA VAL A 700 25.592 0.323 -2.533 1.00 1.00 C ATOM 233 C VAL A 700 26.559 0.083 -1.378 1.00 1.00 C ATOM 234 O VAL A 700 27.628 -0.502 -1.562 1.00 1.00 O ATOM 235 CB VAL A 700 25.706 1.780 -2.991 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.176 2.159 -3.187 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.978 1.945 -4.320 1.00 1.00 C ATOM 0 H VAL A 700 23.580 0.829 -2.171 1.00 1.00 H new ATOM 0 HA VAL A 700 25.860 -0.349 -3.348 1.00 1.00 H new ATOM 0 HB VAL A 700 25.264 2.425 -2.232 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.244 3.197 -3.513 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.712 2.038 -2.245 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.621 1.512 -3.943 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.056 2.981 -4.651 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.429 1.291 -5.066 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.928 1.682 -4.195 1.00 1.00 H new ATOM 247 N MET A 701 26.193 0.572 -0.203 1.00 1.00 N ATOM 248 CA MET A 701 27.052 0.452 0.970 1.00 1.00 C ATOM 249 C MET A 701 27.308 -1.005 1.358 1.00 1.00 C ATOM 250 O MET A 701 28.429 -1.363 1.720 1.00 1.00 O ATOM 251 CB MET A 701 26.408 1.185 2.149 1.00 1.00 C ATOM 252 CG MET A 701 26.575 2.696 1.964 1.00 1.00 C ATOM 253 SD MET A 701 25.681 3.570 3.278 1.00 1.00 S ATOM 254 CE MET A 701 26.675 2.991 4.676 1.00 1.00 C ATOM 0 H MET A 701 25.310 1.055 -0.034 1.00 1.00 H new ATOM 0 HA MET A 701 28.014 0.899 0.719 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.350 0.931 2.215 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.871 0.869 3.084 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.632 2.962 1.990 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.195 2.998 0.988 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.607 3.709 5.493 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.302 2.023 5.011 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.715 2.892 4.366 1.00 1.00 H new ATOM 264 N GLY A 702 26.275 -1.839 1.300 1.00 1.00 N ATOM 265 CA GLY A 702 26.427 -3.245 1.676 1.00 1.00 C ATOM 266 C GLY A 702 27.325 -4.003 0.704 1.00 1.00 C ATOM 267 O GLY A 702 28.188 -4.779 1.118 1.00 1.00 O ATOM 0 H GLY A 702 25.336 -1.574 1.001 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.845 -3.308 2.681 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.446 -3.720 1.709 1.00 1.00 H new ATOM 271 N ALA A 703 27.108 -3.791 -0.586 1.00 1.00 N ATOM 272 CA ALA A 703 27.888 -4.478 -1.605 1.00 1.00 C ATOM 273 C ALA A 703 29.381 -4.250 -1.417 1.00 1.00 C ATOM 274 O ALA A 703 30.178 -5.187 -1.469 1.00 1.00 O ATOM 275 CB ALA A 703 27.486 -3.965 -2.986 1.00 1.00 C ATOM 0 H ALA A 703 26.402 -3.152 -0.951 1.00 1.00 H new ATOM 0 HA ALA A 703 27.685 -5.545 -1.515 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.070 -4.479 -3.749 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.426 -4.156 -3.151 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.675 -2.893 -3.045 1.00 1.00 H new ATOM 281 N ILE A 704 29.747 -2.991 -1.207 1.00 1.00 N ATOM 282 CA ILE A 704 31.149 -2.635 -1.024 1.00 1.00 C ATOM 283 C ILE A 704 31.715 -3.282 0.244 1.00 1.00 C ATOM 284 O ILE A 704 32.831 -3.800 0.238 1.00 1.00 O ATOM 285 CB ILE A 704 31.286 -1.104 -0.946 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.925 -0.507 -2.309 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.730 -0.719 -0.596 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.788 1.017 -2.201 1.00 1.00 C ATOM 0 H ILE A 704 29.098 -2.205 -1.159 1.00 1.00 H new ATOM 0 HA ILE A 704 31.718 -3.006 -1.876 1.00 1.00 H new ATOM 0 HB ILE A 704 30.619 -0.721 -0.174 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.694 -0.759 -3.040 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.991 -0.939 -2.667 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.815 0.366 -0.544 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.998 -1.151 0.368 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.404 -1.099 -1.364 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.531 1.429 -3.177 1.00 1.00 H new ATOM 0 HD12 ILE A 704 30.003 1.262 -1.486 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.732 1.444 -1.864 1.00 1.00 H new ATOM 300 N LEU A 705 30.946 -3.231 1.327 1.00 1.00 N ATOM 301 CA LEU A 705 31.379 -3.793 2.608 1.00 1.00 C ATOM 302 C LEU A 705 31.554 -5.305 2.539 1.00 1.00 C ATOM 303 O LEU A 705 32.504 -5.852 3.103 1.00 1.00 O ATOM 304 CB LEU A 705 30.349 -3.451 3.685 1.00 1.00 C ATOM 305 CG LEU A 705 30.380 -1.945 3.960 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.128 -1.552 4.742 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.626 -1.568 4.777 1.00 1.00 C ATOM 0 H LEU A 705 30.019 -2.807 1.346 1.00 1.00 H new ATOM 0 HA LEU A 705 32.348 -3.357 2.852 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.353 -3.752 3.360 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.566 -4.003 4.599 1.00 1.00 H new ATOM 0 HG LEU A 705 30.412 -1.415 3.008 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.145 -0.480 4.941 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.242 -1.799 4.158 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.103 -2.096 5.686 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.629 -0.494 4.961 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.612 -2.100 5.729 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.522 -1.843 4.221 1.00 1.00 H new ATOM 319 N LEU A 706 30.635 -5.984 1.868 1.00 1.00 N ATOM 320 CA LEU A 706 30.701 -7.435 1.762 1.00 1.00 C ATOM 321 C LEU A 706 31.945 -7.882 1.009 1.00 1.00 C ATOM 322 O LEU A 706 32.612 -8.842 1.390 1.00 1.00 O ATOM 323 CB LEU A 706 29.451 -7.961 1.056 1.00 1.00 C ATOM 324 CG LEU A 706 28.246 -7.796 1.989 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.949 -8.014 1.208 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.321 -8.805 3.149 1.00 1.00 C ATOM 0 H LEU A 706 29.840 -5.558 1.392 1.00 1.00 H new ATOM 0 HA LEU A 706 30.753 -7.844 2.771 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.286 -7.416 0.127 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.581 -9.010 0.791 1.00 1.00 H new ATOM 0 HG LEU A 706 28.261 -6.785 2.397 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.097 -7.895 1.877 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.882 -7.283 0.402 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.942 -9.019 0.787 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.458 -8.674 3.802 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.323 -9.819 2.750 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.235 -8.637 3.718 1.00 1.00 H new ATOM 338 N ILE A 707 32.250 -7.158 -0.061 1.00 1.00 N ATOM 339 CA ILE A 707 33.423 -7.460 -0.865 1.00 1.00 C ATOM 340 C ILE A 707 34.693 -7.276 -0.027 1.00 1.00 C ATOM 341 O ILE A 707 35.616 -8.089 -0.086 1.00 1.00 O ATOM 342 CB ILE A 707 33.460 -6.550 -2.094 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.294 -6.905 -3.026 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.782 -6.763 -2.830 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.125 -5.810 -4.082 1.00 1.00 C ATOM 0 H ILE A 707 31.703 -6.362 -0.389 1.00 1.00 H new ATOM 0 HA ILE A 707 33.371 -8.497 -1.198 1.00 1.00 H new ATOM 0 HB ILE A 707 33.373 -5.508 -1.786 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.481 -7.864 -3.509 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.375 -7.013 -2.450 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.818 -6.118 -3.708 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.611 -6.518 -2.166 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.861 -7.805 -3.141 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.296 -6.066 -4.742 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.918 -4.859 -3.591 1.00 1.00 H new ATOM 0 HD13 ILE A 707 33.041 -5.724 -4.667 1.00 1.00 H new ATOM 357 N GLY A 708 34.726 -6.199 0.755 1.00 1.00 N ATOM 358 CA GLY A 708 35.882 -5.920 1.606 1.00 1.00 C ATOM 359 C GLY A 708 36.144 -7.074 2.578 1.00 1.00 C ATOM 360 O GLY A 708 37.289 -7.473 2.787 1.00 1.00 O ATOM 0 H GLY A 708 33.975 -5.512 0.818 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.763 -5.756 0.985 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.711 -5.001 2.166 1.00 1.00 H new ATOM 364 N LEU A 709 35.074 -7.609 3.161 1.00 1.00 N ATOM 365 CA LEU A 709 35.207 -8.718 4.104 1.00 1.00 C ATOM 366 C LEU A 709 35.796 -9.941 3.397 1.00 1.00 C ATOM 367 O LEU A 709 36.687 -10.606 3.926 1.00 1.00 O ATOM 368 CB LEU A 709 33.831 -9.052 4.694 1.00 1.00 C ATOM 369 CG LEU A 709 33.358 -7.882 5.574 1.00 1.00 C ATOM 370 CD1 LEU A 709 31.904 -8.097 5.996 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.234 -7.766 6.829 1.00 1.00 C ATOM 0 H LEU A 709 34.116 -7.298 3.000 1.00 1.00 H new ATOM 0 HA LEU A 709 35.881 -8.430 4.911 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.114 -9.233 3.894 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.888 -9.966 5.284 1.00 1.00 H new ATOM 0 HG LEU A 709 33.439 -6.963 4.993 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.579 -7.263 6.619 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.273 -8.156 5.109 1.00 1.00 H new ATOM 0 HD13 LEU A 709 31.823 -9.025 6.561 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.886 -6.933 7.440 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.170 -8.690 7.404 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.269 -7.592 6.535 1.00 1.00 H new ATOM 383 N ALA A 710 35.304 -10.224 2.194 1.00 1.00 N ATOM 384 CA ALA A 710 35.802 -11.362 1.423 1.00 1.00 C ATOM 385 C ALA A 710 37.270 -11.156 1.062 1.00 1.00 C ATOM 386 O ALA A 710 38.053 -12.107 1.038 1.00 1.00 O ATOM 387 CB ALA A 710 34.981 -11.528 0.143 1.00 1.00 C ATOM 0 H ALA A 710 34.568 -9.688 1.734 1.00 1.00 H new ATOM 0 HA ALA A 710 35.707 -12.261 2.033 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.360 -12.378 -0.424 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.936 -11.700 0.401 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.062 -10.624 -0.461 1.00 1.00 H new ATOM 393 N ALA A 711 37.629 -9.912 0.771 1.00 1.00 N ATOM 394 CA ALA A 711 39.006 -9.602 0.402 1.00 1.00 C ATOM 395 C ALA A 711 39.954 -9.887 1.562 1.00 1.00 C ATOM 396 O ALA A 711 41.013 -10.489 1.382 1.00 1.00 O ATOM 397 CB ALA A 711 39.116 -8.132 -0.004 1.00 1.00 C ATOM 0 H ALA A 711 36.997 -9.111 0.782 1.00 1.00 H new ATOM 0 HA ALA A 711 39.288 -10.234 -0.440 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.146 -7.906 -0.278 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.463 -7.940 -0.856 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.817 -7.500 0.832 1.00 1.00 H new ATOM 403 N LEU A 712 39.574 -9.430 2.748 1.00 1.00 N ATOM 404 CA LEU A 712 40.400 -9.616 3.937 1.00 1.00 C ATOM 405 C LEU A 712 40.564 -11.090 4.293 1.00 1.00 C ATOM 406 O LEU A 712 41.631 -11.513 4.742 1.00 1.00 O ATOM 407 CB LEU A 712 39.783 -8.868 5.122 1.00 1.00 C ATOM 408 CG LEU A 712 39.876 -7.354 4.879 1.00 1.00 C ATOM 409 CD1 LEU A 712 39.036 -6.617 5.924 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.339 -6.887 4.969 1.00 1.00 C ATOM 0 H LEU A 712 38.701 -8.929 2.914 1.00 1.00 H new ATOM 0 HA LEU A 712 41.389 -9.214 3.716 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.741 -9.163 5.249 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.304 -9.132 6.043 1.00 1.00 H new ATOM 0 HG LEU A 712 39.497 -7.132 3.881 1.00 1.00 H new ATOM 0 HD11 LEU A 712 39.102 -5.543 5.752 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.996 -6.934 5.845 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.411 -6.848 6.921 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.389 -5.812 4.795 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.733 -7.113 5.960 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.933 -7.405 4.216 1.00 1.00 H new ATOM 422 N LEU A 713 39.495 -11.862 4.130 1.00 1.00 N ATOM 423 CA LEU A 713 39.529 -13.279 4.479 1.00 1.00 C ATOM 424 C LEU A 713 40.542 -14.054 3.649 1.00 1.00 C ATOM 425 O LEU A 713 41.287 -14.880 4.171 1.00 1.00 O ATOM 426 CB LEU A 713 38.142 -13.896 4.298 1.00 1.00 C ATOM 427 CG LEU A 713 37.204 -13.383 5.393 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.772 -13.766 5.032 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.575 -14.002 6.751 1.00 1.00 C ATOM 0 H LEU A 713 38.602 -11.535 3.762 1.00 1.00 H new ATOM 0 HA LEU A 713 39.835 -13.346 5.523 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.745 -13.640 3.316 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.208 -14.983 4.342 1.00 1.00 H new ATOM 0 HG LEU A 713 37.297 -12.300 5.469 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.093 -13.406 5.805 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.505 -13.316 4.076 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.693 -14.851 4.957 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.898 -13.627 7.519 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.490 -15.087 6.692 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.599 -13.731 7.006 1.00 1.00 H new ATOM 441 N ILE A 714 40.582 -13.769 2.355 1.00 1.00 N ATOM 442 CA ILE A 714 41.535 -14.431 1.481 1.00 1.00 C ATOM 443 C ILE A 714 42.952 -14.053 1.894 1.00 1.00 C ATOM 444 O ILE A 714 43.845 -14.893 1.949 1.00 1.00 O ATOM 445 CB ILE A 714 41.302 -14.011 0.030 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.972 -14.598 -0.468 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.466 -14.497 -0.839 1.00 1.00 C ATOM 448 CD1 ILE A 714 40.178 -16.019 -1.001 1.00 1.00 C ATOM 0 H ILE A 714 39.974 -13.093 1.893 1.00 1.00 H new ATOM 0 HA ILE A 714 41.401 -15.509 1.565 1.00 1.00 H new ATOM 0 HB ILE A 714 41.250 -12.924 -0.035 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.246 -14.610 0.345 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.560 -13.965 -1.254 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.298 -14.197 -1.873 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.396 -14.057 -0.480 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.533 -15.584 -0.783 1.00 1.00 H new ATOM 0 HD11 ILE A 714 39.226 -16.419 -1.349 1.00 1.00 H new ATOM 0 HD12 ILE A 714 40.887 -15.998 -1.829 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.568 -16.653 -0.205 1.00 1.00 H new ATOM 460 N TRP A 715 43.140 -12.771 2.179 1.00 1.00 N ATOM 461 CA TRP A 715 44.465 -12.315 2.577 1.00 1.00 C ATOM 462 C TRP A 715 44.952 -13.150 3.760 1.00 1.00 C ATOM 463 O TRP A 715 46.065 -13.683 3.756 1.00 1.00 O ATOM 464 CB TRP A 715 44.388 -10.831 2.966 1.00 1.00 C ATOM 465 CG TRP A 715 45.749 -10.259 3.263 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.941 -10.882 3.072 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.068 -8.937 3.798 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.958 -10.029 3.456 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.474 -8.820 3.912 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.281 -7.837 4.197 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.077 -7.660 4.399 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.886 -6.668 4.688 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.281 -6.580 4.790 1.00 1.00 C ATOM 0 H TRP A 715 42.419 -12.050 2.144 1.00 1.00 H new ATOM 0 HA TRP A 715 45.167 -12.432 1.751 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.925 -10.267 2.156 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.747 -10.717 3.840 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.072 -11.881 2.683 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.949 -10.265 3.408 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.205 -7.894 4.125 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.153 -7.597 4.473 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.272 -5.832 4.989 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.740 -5.679 5.170 1.00 1.00 H new ATOM 484 N LYS A 716 44.097 -13.257 4.770 1.00 1.00 N ATOM 485 CA LYS A 716 44.414 -14.014 5.976 1.00 1.00 C ATOM 486 C LYS A 716 44.656 -15.485 5.637 1.00 1.00 C ATOM 487 O LYS A 716 45.539 -16.124 6.207 1.00 1.00 O ATOM 488 CB LYS A 716 43.234 -13.891 6.959 1.00 1.00 C ATOM 489 CG LYS A 716 43.519 -14.500 8.352 1.00 1.00 C ATOM 490 CD LYS A 716 44.320 -13.563 9.296 1.00 1.00 C ATOM 491 CE LYS A 716 45.788 -13.397 8.903 1.00 1.00 C ATOM 492 NZ LYS A 716 46.519 -12.803 10.054 1.00 1.00 N ATOM 0 H LYS A 716 43.173 -12.826 4.778 1.00 1.00 H new ATOM 0 HA LYS A 716 45.322 -13.614 6.428 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.980 -12.838 7.078 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.362 -14.383 6.529 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.572 -14.755 8.827 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.072 -15.431 8.225 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.844 -12.582 9.308 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.268 -13.955 10.312 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.220 -14.361 8.636 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.875 -12.755 8.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.521 -12.683 9.804 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.107 -11.877 10.287 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.441 -13.433 10.877 1.00 1.00 H new ATOM 506 N LEU A 717 43.875 -16.009 4.700 1.00 1.00 N ATOM 507 CA LEU A 717 44.026 -17.401 4.291 1.00 1.00 C ATOM 508 C LEU A 717 45.424 -17.611 3.724 1.00 1.00 C ATOM 509 O LEU A 717 46.041 -18.641 3.980 1.00 1.00 O ATOM 510 CB LEU A 717 42.969 -17.759 3.239 1.00 1.00 C ATOM 511 CG LEU A 717 43.150 -19.206 2.760 1.00 1.00 C ATOM 512 CD1 LEU A 717 43.044 -20.169 3.946 1.00 1.00 C ATOM 513 CD2 LEU A 717 42.061 -19.532 1.736 1.00 1.00 C ATOM 0 H LEU A 717 43.138 -15.498 4.213 1.00 1.00 H new ATOM 0 HA LEU A 717 43.887 -18.049 5.156 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.972 -17.632 3.660 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.046 -17.078 2.392 1.00 1.00 H new ATOM 0 HG LEU A 717 44.134 -19.316 2.303 1.00 1.00 H new ATOM 0 HD11 LEU A 717 43.174 -21.193 3.596 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.819 -19.934 4.676 1.00 1.00 H new ATOM 0 HD13 LEU A 717 42.064 -20.066 4.412 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.182 -20.559 1.390 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.081 -19.418 2.199 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.143 -18.852 0.888 1.00 1.00 H new ATOM 525 N LEU A 718 45.909 -16.664 2.933 1.00 1.00 N ATOM 526 CA LEU A 718 47.224 -16.823 2.325 1.00 1.00 C ATOM 527 C LEU A 718 48.324 -16.898 3.375 1.00 1.00 C ATOM 528 O LEU A 718 49.176 -17.788 3.335 1.00 1.00 O ATOM 529 CB LEU A 718 47.497 -15.655 1.379 1.00 1.00 C ATOM 530 CG LEU A 718 46.524 -15.717 0.199 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.687 -14.466 -0.654 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.806 -16.952 -0.662 1.00 1.00 C ATOM 0 H LEU A 718 45.426 -15.796 2.700 1.00 1.00 H new ATOM 0 HA LEU A 718 47.225 -17.761 1.770 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.383 -14.709 1.909 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.525 -15.697 1.019 1.00 1.00 H new ATOM 0 HG LEU A 718 45.506 -15.778 0.585 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.995 -14.507 -1.496 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.473 -13.584 -0.051 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.710 -14.411 -1.027 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.106 -16.981 -1.497 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.825 -16.903 -1.045 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.688 -17.851 -0.058 1.00 1.00 H new ATOM 544 N ILE A 719 48.316 -15.940 4.299 1.00 1.00 N ATOM 545 CA ILE A 719 49.323 -15.868 5.349 1.00 1.00 C ATOM 546 C ILE A 719 49.204 -17.011 6.360 1.00 1.00 C ATOM 547 O ILE A 719 50.214 -17.595 6.751 1.00 1.00 O ATOM 548 CB ILE A 719 49.225 -14.524 6.084 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.643 -13.376 5.148 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.162 -14.555 7.289 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.294 -12.028 5.793 1.00 1.00 C ATOM 0 H ILE A 719 47.617 -15.199 4.339 1.00 1.00 H new ATOM 0 HA ILE A 719 50.293 -15.960 4.861 1.00 1.00 H new ATOM 0 HB ILE A 719 48.197 -14.361 6.407 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.713 -13.428 4.949 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.135 -13.473 4.189 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.102 -13.605 7.821 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.868 -15.364 7.957 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.185 -14.717 6.950 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.592 -11.218 5.127 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.220 -11.976 5.970 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.823 -11.931 6.741 1.00 1.00 H new ATOM 563 N THR A 720 47.984 -17.345 6.778 1.00 1.00 N ATOM 564 CA THR A 720 47.789 -18.438 7.730 1.00 1.00 C ATOM 565 C THR A 720 48.284 -19.757 7.137 1.00 1.00 C ATOM 566 O THR A 720 48.954 -20.538 7.814 1.00 1.00 O ATOM 567 CB THR A 720 46.306 -18.563 8.086 1.00 1.00 C ATOM 568 OG1 THR A 720 45.870 -17.374 8.732 1.00 1.00 O ATOM 569 CG2 THR A 720 46.103 -19.758 9.019 1.00 1.00 C ATOM 0 H THR A 720 47.126 -16.882 6.478 1.00 1.00 H new ATOM 0 HA THR A 720 48.361 -18.218 8.631 1.00 1.00 H new ATOM 0 HB THR A 720 45.726 -18.713 7.175 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.786 -16.655 8.072 1.00 1.00 H new ATOM 0 HG21 THR A 720 45.047 -19.847 9.272 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.434 -20.669 8.521 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.683 -19.611 9.930 1.00 1.00 H new ATOM 577 N ILE A 721 47.951 -20.003 5.870 1.00 1.00 N ATOM 578 CA ILE A 721 48.377 -21.236 5.206 1.00 1.00 C ATOM 579 C ILE A 721 49.734 -21.019 4.541 1.00 1.00 C ATOM 580 O ILE A 721 50.281 -21.915 3.904 1.00 1.00 O ATOM 581 CB ILE A 721 47.338 -21.656 4.156 1.00 1.00 C ATOM 582 CG1 ILE A 721 47.599 -23.102 3.713 1.00 1.00 C ATOM 583 CG2 ILE A 721 47.420 -20.736 2.934 1.00 1.00 C ATOM 584 CD1 ILE A 721 46.434 -23.577 2.849 1.00 1.00 C ATOM 0 H ILE A 721 47.395 -19.375 5.289 1.00 1.00 H new ATOM 0 HA ILE A 721 48.465 -22.029 5.949 1.00 1.00 H new ATOM 0 HB ILE A 721 46.345 -21.581 4.600 1.00 1.00 H new ATOM 0 HG12 ILE A 721 48.532 -23.161 3.152 1.00 1.00 H new ATOM 0 HG13 ILE A 721 47.709 -23.748 4.584 1.00 1.00 H new ATOM 0 HG21 ILE A 721 46.679 -21.044 2.197 1.00 1.00 H new ATOM 0 HG22 ILE A 721 47.224 -19.708 3.239 1.00 1.00 H new ATOM 0 HG23 ILE A 721 48.416 -20.801 2.496 1.00 1.00 H new ATOM 0 HD11 ILE A 721 46.612 -24.604 2.530 1.00 1.00 H new ATOM 0 HD12 ILE A 721 45.511 -23.531 3.426 1.00 1.00 H new ATOM 0 HD13 ILE A 721 46.346 -22.935 1.972 1.00 1.00 H new ATOM 596 N HIS A 722 50.270 -19.817 4.707 1.00 1.00 N ATOM 597 CA HIS A 722 51.569 -19.487 4.129 1.00 1.00 C ATOM 598 C HIS A 722 51.658 -19.936 2.671 1.00 1.00 C ATOM 599 O HIS A 722 51.881 -21.112 2.389 1.00 1.00 O ATOM 600 CB HIS A 722 52.683 -20.171 4.929 1.00 1.00 C ATOM 601 CG HIS A 722 52.779 -19.558 6.299 1.00 1.00 C ATOM 602 ND1 HIS A 722 53.336 -18.307 6.506 1.00 1.00 N ATOM 603 CD2 HIS A 722 52.407 -20.014 7.540 1.00 1.00 C ATOM 604 CE1 HIS A 722 53.285 -18.054 7.826 1.00 1.00 C ATOM 605 NE2 HIS A 722 52.729 -19.063 8.503 1.00 1.00 N ATOM 0 H HIS A 722 49.832 -19.060 5.232 1.00 1.00 H new ATOM 0 HA HIS A 722 51.687 -18.404 4.169 1.00 1.00 H new ATOM 0 HB2 HIS A 722 52.480 -21.239 5.012 1.00 1.00 H new ATOM 0 HB3 HIS A 722 53.634 -20.067 4.407 1.00 1.00 H new ATOM 0 HD2 HIS A 722 51.936 -20.966 7.738 1.00 1.00 H new ATOM 0 HE1 HIS A 722 53.649 -17.146 8.283 1.00 1.00 H new ATOM 0 HE2 HIS A 722 52.574 -19.123 9.509 1.00 1.00 H new ATOM 613 N ASP A 723 51.506 -18.991 1.748 1.00 1.00 N ATOM 614 CA ASP A 723 51.597 -19.311 0.328 1.00 1.00 C ATOM 615 C ASP A 723 53.031 -19.123 -0.169 1.00 1.00 C ATOM 616 O ASP A 723 53.328 -19.359 -1.340 1.00 1.00 O ATOM 617 CB ASP A 723 50.638 -18.429 -0.484 1.00 1.00 C ATOM 618 CG ASP A 723 50.816 -16.956 -0.123 1.00 1.00 C ATOM 619 OD1 ASP A 723 51.649 -16.664 0.721 1.00 1.00 O ATOM 620 OD2 ASP A 723 50.107 -16.140 -0.692 1.00 1.00 O ATOM 0 H ASP A 723 51.322 -18.009 1.954 1.00 1.00 H new ATOM 0 HA ASP A 723 51.312 -20.354 0.192 1.00 1.00 H new ATOM 0 HB2 ASP A 723 50.820 -18.571 -1.549 1.00 1.00 H new ATOM 0 HB3 ASP A 723 49.609 -18.733 -0.293 1.00 1.00 H new ATOM 625 N ARG A 724 53.918 -18.703 0.734 1.00 1.00 N ATOM 626 CA ARG A 724 55.322 -18.490 0.384 1.00 1.00 C ATOM 627 C ARG A 724 56.239 -19.040 1.467 1.00 1.00 C ATOM 628 O ARG A 724 55.921 -18.968 2.655 1.00 1.00 O ATOM 629 CB ARG A 724 55.594 -16.993 0.200 1.00 1.00 C ATOM 630 CG ARG A 724 55.304 -16.240 1.503 1.00 1.00 C ATOM 631 CD ARG A 724 55.518 -14.744 1.270 1.00 1.00 C ATOM 632 NE ARG A 724 55.268 -13.996 2.494 1.00 1.00 N ATOM 633 CZ ARG A 724 55.657 -12.732 2.612 1.00 1.00 C ATOM 634 NH1 ARG A 724 56.332 -12.163 1.651 1.00 1.00 N ATOM 635 NH2 ARG A 724 55.377 -12.060 3.692 1.00 1.00 N ATOM 0 H ARG A 724 53.690 -18.505 1.708 1.00 1.00 H new ATOM 0 HA ARG A 724 55.524 -19.017 -0.548 1.00 1.00 H new ATOM 0 HB2 ARG A 724 56.632 -16.838 -0.095 1.00 1.00 H new ATOM 0 HB3 ARG A 724 54.972 -16.599 -0.603 1.00 1.00 H new ATOM 0 HG2 ARG A 724 54.280 -16.428 1.827 1.00 1.00 H new ATOM 0 HG3 ARG A 724 55.960 -16.595 2.297 1.00 1.00 H new ATOM 0 HD2 ARG A 724 56.538 -14.565 0.930 1.00 1.00 H new ATOM 0 HD3 ARG A 724 54.853 -14.394 0.481 1.00 1.00 H new ATOM 0 HE ARG A 724 54.788 -14.449 3.271 1.00 1.00 H new ATOM 0 HH11 ARG A 724 56.561 -12.689 0.808 1.00 1.00 H new ATOM 0 HH12 ARG A 724 56.630 -11.192 1.743 1.00 1.00 H new ATOM 0 HH21 ARG A 724 54.858 -12.505 4.449 1.00 1.00 H new ATOM 0 HH22 ARG A 724 55.677 -11.089 3.781 1.00 1.00 H new ATOM 649 N LYS A 725 57.383 -19.576 1.050 1.00 1.00 N ATOM 650 CA LYS A 725 58.350 -20.125 1.994 1.00 1.00 C ATOM 651 C LYS A 725 59.613 -19.271 1.996 1.00 1.00 C ATOM 652 O LYS A 725 60.198 -19.008 0.945 1.00 1.00 O ATOM 653 CB LYS A 725 58.698 -21.567 1.611 1.00 1.00 C ATOM 654 CG LYS A 725 59.448 -22.244 2.762 1.00 1.00 C ATOM 655 CD LYS A 725 59.691 -23.712 2.407 1.00 1.00 C ATOM 656 CE LYS A 725 60.377 -24.425 3.573 1.00 1.00 C ATOM 657 NZ LYS A 725 60.681 -25.831 3.181 1.00 1.00 N ATOM 0 H LYS A 725 57.661 -19.641 0.071 1.00 1.00 H new ATOM 0 HA LYS A 725 57.912 -20.120 2.992 1.00 1.00 H new ATOM 0 HB2 LYS A 725 57.788 -22.122 1.382 1.00 1.00 H new ATOM 0 HB3 LYS A 725 59.312 -21.576 0.710 1.00 1.00 H new ATOM 0 HG2 LYS A 725 60.397 -21.739 2.941 1.00 1.00 H new ATOM 0 HG3 LYS A 725 58.869 -22.171 3.683 1.00 1.00 H new ATOM 0 HD2 LYS A 725 58.744 -24.201 2.177 1.00 1.00 H new ATOM 0 HD3 LYS A 725 60.310 -23.781 1.513 1.00 1.00 H new ATOM 0 HE2 LYS A 725 61.296 -23.904 3.843 1.00 1.00 H new ATOM 0 HE3 LYS A 725 59.733 -24.412 4.452 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 61.148 -26.319 3.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 59.797 -26.324 2.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 61.311 -25.832 2.354 1.00 1.00 H new ATOM 671 N GLU A 726 60.018 -18.830 3.181 1.00 1.00 N ATOM 672 CA GLU A 726 61.205 -17.994 3.303 1.00 1.00 C ATOM 673 C GLU A 726 62.457 -18.787 2.945 1.00 1.00 C ATOM 674 O GLU A 726 63.367 -18.268 2.301 1.00 1.00 O ATOM 675 CB GLU A 726 61.332 -17.467 4.733 1.00 1.00 C ATOM 676 CG GLU A 726 60.143 -16.560 5.051 1.00 1.00 C ATOM 677 CD GLU A 726 60.234 -16.072 6.492 1.00 1.00 C ATOM 678 OE1 GLU A 726 61.177 -16.451 7.165 1.00 1.00 O ATOM 679 OE2 GLU A 726 59.357 -15.329 6.903 1.00 1.00 O ATOM 0 H GLU A 726 59.547 -19.035 4.062 1.00 1.00 H new ATOM 0 HA GLU A 726 61.105 -17.156 2.613 1.00 1.00 H new ATOM 0 HB2 GLU A 726 61.367 -18.299 5.436 1.00 1.00 H new ATOM 0 HB3 GLU A 726 62.265 -16.915 4.847 1.00 1.00 H new ATOM 0 HG2 GLU A 726 60.131 -15.709 4.370 1.00 1.00 H new ATOM 0 HG3 GLU A 726 59.210 -17.103 4.900 1.00 1.00 H new ATOM 686 N PHE A 727 62.498 -20.048 3.369 1.00 1.00 N ATOM 687 CA PHE A 727 63.651 -20.899 3.086 1.00 1.00 C ATOM 688 C PHE A 727 63.368 -21.824 1.909 1.00 1.00 C ATOM 689 O PHE A 727 62.245 -21.821 1.433 1.00 1.00 O ATOM 690 CB PHE A 727 64.007 -21.739 4.312 1.00 1.00 C ATOM 691 CG PHE A 727 64.571 -20.847 5.384 1.00 1.00 C ATOM 692 CD1 PHE A 727 63.715 -20.203 6.286 1.00 1.00 C ATOM 693 CD2 PHE A 727 65.953 -20.659 5.474 1.00 1.00 C ATOM 694 CE1 PHE A 727 64.246 -19.372 7.279 1.00 1.00 C ATOM 695 CE2 PHE A 727 66.484 -19.830 6.466 1.00 1.00 C ATOM 696 CZ PHE A 727 65.631 -19.184 7.369 1.00 1.00 C ATOM 697 OXT PHE A 727 64.280 -22.524 1.506 1.00 1.00 O ATOM 0 H PHE A 727 61.756 -20.499 3.904 1.00 1.00 H new ATOM 0 HA PHE A 727 64.490 -20.250 2.834 1.00 1.00 H new ATOM 0 HB2 PHE A 727 63.121 -22.255 4.682 1.00 1.00 H new ATOM 0 HB3 PHE A 727 64.733 -22.506 4.042 1.00 1.00 H new ATOM 0 HD1 PHE A 727 62.647 -20.347 6.215 1.00 1.00 H new ATOM 0 HD2 PHE A 727 66.611 -21.155 4.776 1.00 1.00 H new ATOM 0 HE1 PHE A 727 63.587 -18.875 7.976 1.00 1.00 H new ATOM 0 HE2 PHE A 727 67.552 -19.688 6.536 1.00 1.00 H new ATOM 0 HZ PHE A 727 66.041 -18.541 8.134 1.00 1.00 H new TER 707 PHE A 727