USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 368 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 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot -20:sc= 0.187 USER MOD Single : A 701 MET CE :methyl 179:sc= 0 (180deg=-0.00127) USER MOD Single : A 720 THR OG1 : rot 68:sc= 0.58 USER MOD Single : A 722 HIS : no HE2:sc= -3.39! C(o=-3.4!,f=-9.8!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 60.404 -18.307 -4.137 1.00 1.00 N ATOM 2 CA PRO A 685 60.382 -18.112 -2.667 1.00 1.00 C ATOM 3 C PRO A 685 59.910 -16.697 -2.346 1.00 1.00 C ATOM 4 O PRO A 685 59.230 -16.470 -1.345 1.00 1.00 O ATOM 5 CB PRO A 685 61.795 -18.329 -2.134 1.00 1.00 C ATOM 6 CG PRO A 685 62.555 -18.916 -3.281 1.00 1.00 C ATOM 7 CD PRO A 685 61.812 -18.529 -4.569 1.00 1.00 C ATOM 0 HA PRO A 685 59.698 -18.820 -2.200 1.00 1.00 H new ATOM 0 HB2 PRO A 685 62.241 -17.391 -1.804 1.00 1.00 H new ATOM 0 HB3 PRO A 685 61.794 -19.001 -1.276 1.00 1.00 H new ATOM 0 HG2 PRO A 685 63.577 -18.537 -3.299 1.00 1.00 H new ATOM 0 HG3 PRO A 685 62.618 -20.000 -3.185 1.00 1.00 H new ATOM 0 HD2 PRO A 685 62.236 -17.630 -5.017 1.00 1.00 H new ATOM 0 HD3 PRO A 685 61.877 -19.319 -5.317 1.00 1.00 H new ATOM 17 N GLU A 686 60.276 -15.749 -3.203 1.00 1.00 N ATOM 18 CA GLU A 686 59.884 -14.359 -3.001 1.00 1.00 C ATOM 19 C GLU A 686 58.369 -14.218 -3.135 1.00 1.00 C ATOM 20 O GLU A 686 57.738 -13.465 -2.393 1.00 1.00 O ATOM 21 CB GLU A 686 60.588 -13.468 -4.034 1.00 1.00 C ATOM 22 CG GLU A 686 60.258 -11.989 -3.785 1.00 1.00 C ATOM 23 CD GLU A 686 60.915 -11.513 -2.492 1.00 1.00 C ATOM 24 OE1 GLU A 686 61.694 -12.267 -1.932 1.00 1.00 O ATOM 25 OE2 GLU A 686 60.630 -10.401 -2.082 1.00 1.00 O ATOM 0 H GLU A 686 60.839 -15.916 -4.037 1.00 1.00 H new ATOM 0 HA GLU A 686 60.179 -14.047 -1.999 1.00 1.00 H new ATOM 0 HB2 GLU A 686 61.666 -13.620 -3.979 1.00 1.00 H new ATOM 0 HB3 GLU A 686 60.277 -13.752 -5.039 1.00 1.00 H new ATOM 0 HG2 GLU A 686 60.607 -11.385 -4.623 1.00 1.00 H new ATOM 0 HG3 GLU A 686 59.178 -11.855 -3.723 1.00 1.00 H new ATOM 32 N SER A 687 57.794 -14.946 -4.087 1.00 1.00 N ATOM 33 CA SER A 687 56.353 -14.895 -4.310 1.00 1.00 C ATOM 34 C SER A 687 55.825 -16.271 -4.707 1.00 1.00 C ATOM 35 O SER A 687 55.510 -16.512 -5.872 1.00 1.00 O ATOM 36 CB SER A 687 56.033 -13.886 -5.413 1.00 1.00 C ATOM 37 OG SER A 687 56.409 -12.585 -4.982 1.00 1.00 O ATOM 0 H SER A 687 58.299 -15.574 -4.712 1.00 1.00 H new ATOM 0 HA SER A 687 55.870 -14.586 -3.383 1.00 1.00 H new ATOM 0 HB2 SER A 687 56.566 -14.147 -6.327 1.00 1.00 H new ATOM 0 HB3 SER A 687 54.969 -13.911 -5.647 1.00 1.00 H new ATOM 0 HG SER A 687 56.207 -11.936 -5.687 1.00 1.00 H new ATOM 43 N PRO A 688 55.726 -17.167 -3.762 1.00 1.00 N ATOM 44 CA PRO A 688 55.227 -18.551 -4.011 1.00 1.00 C ATOM 45 C PRO A 688 53.789 -18.557 -4.523 1.00 1.00 C ATOM 46 O PRO A 688 52.974 -17.722 -4.129 1.00 1.00 O ATOM 47 CB PRO A 688 55.315 -19.236 -2.640 1.00 1.00 C ATOM 48 CG PRO A 688 56.209 -18.377 -1.806 1.00 1.00 C ATOM 49 CD PRO A 688 56.085 -16.959 -2.355 1.00 1.00 C ATOM 0 HA PRO A 688 55.811 -19.057 -4.780 1.00 1.00 H new ATOM 0 HB2 PRO A 688 54.328 -19.328 -2.186 1.00 1.00 H new ATOM 0 HB3 PRO A 688 55.719 -20.244 -2.733 1.00 1.00 H new ATOM 0 HG2 PRO A 688 55.914 -18.414 -0.757 1.00 1.00 H new ATOM 0 HG3 PRO A 688 57.241 -18.725 -1.859 1.00 1.00 H new ATOM 0 HD2 PRO A 688 55.321 -16.389 -1.826 1.00 1.00 H new ATOM 0 HD3 PRO A 688 57.020 -16.407 -2.257 1.00 1.00 H new ATOM 57 N LYS A 689 53.486 -19.503 -5.406 1.00 1.00 N ATOM 58 CA LYS A 689 52.146 -19.611 -5.970 1.00 1.00 C ATOM 59 C LYS A 689 51.147 -20.057 -4.905 1.00 1.00 C ATOM 60 O LYS A 689 51.405 -20.998 -4.155 1.00 1.00 O ATOM 61 CB LYS A 689 52.145 -20.613 -7.125 1.00 1.00 C ATOM 62 CG LYS A 689 50.771 -20.618 -7.799 1.00 1.00 C ATOM 63 CD LYS A 689 50.788 -21.578 -8.990 1.00 1.00 C ATOM 64 CE LYS A 689 49.419 -21.570 -9.673 1.00 1.00 C ATOM 65 NZ LYS A 689 49.441 -22.495 -10.841 1.00 1.00 N ATOM 0 H LYS A 689 54.147 -20.202 -5.745 1.00 1.00 H new ATOM 0 HA LYS A 689 51.849 -18.630 -6.340 1.00 1.00 H new ATOM 0 HB2 LYS A 689 52.916 -20.349 -7.849 1.00 1.00 H new ATOM 0 HB3 LYS A 689 52.383 -21.610 -6.755 1.00 1.00 H new ATOM 0 HG2 LYS A 689 50.005 -20.922 -7.085 1.00 1.00 H new ATOM 0 HG3 LYS A 689 50.515 -19.613 -8.133 1.00 1.00 H new ATOM 0 HD2 LYS A 689 51.561 -21.281 -9.699 1.00 1.00 H new ATOM 0 HD3 LYS A 689 51.033 -22.586 -8.655 1.00 1.00 H new ATOM 0 HE2 LYS A 689 48.647 -21.877 -8.967 1.00 1.00 H new ATOM 0 HE3 LYS A 689 49.170 -20.560 -10.000 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 48.511 -22.490 -11.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 50.167 -22.183 -11.517 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 49.661 -23.458 -10.517 1.00 1.00 H new ATOM 79 N GLY A 690 50.006 -19.379 -4.850 1.00 1.00 N ATOM 80 CA GLY A 690 48.974 -19.717 -3.877 1.00 1.00 C ATOM 81 C GLY A 690 47.584 -19.505 -4.470 1.00 1.00 C ATOM 82 O GLY A 690 47.445 -19.225 -5.661 1.00 1.00 O ATOM 0 H GLY A 690 49.773 -18.598 -5.463 1.00 1.00 H new ATOM 0 HA2 GLY A 690 49.087 -20.755 -3.565 1.00 1.00 H new ATOM 0 HA3 GLY A 690 49.092 -19.101 -2.985 1.00 1.00 H new ATOM 86 N PRO A 691 46.559 -19.628 -3.667 1.00 1.00 N ATOM 87 CA PRO A 691 45.151 -19.444 -4.129 1.00 1.00 C ATOM 88 C PRO A 691 44.904 -18.031 -4.654 1.00 1.00 C ATOM 89 O PRO A 691 45.445 -17.059 -4.127 1.00 1.00 O ATOM 90 CB PRO A 691 44.305 -19.711 -2.876 1.00 1.00 C ATOM 91 CG PRO A 691 45.206 -20.407 -1.910 1.00 1.00 C ATOM 92 CD PRO A 691 46.627 -19.961 -2.238 1.00 1.00 C ATOM 0 HA PRO A 691 44.907 -20.109 -4.957 1.00 1.00 H new ATOM 0 HB2 PRO A 691 43.927 -18.779 -2.455 1.00 1.00 H new ATOM 0 HB3 PRO A 691 43.438 -20.328 -3.115 1.00 1.00 H new ATOM 0 HG2 PRO A 691 44.946 -20.149 -0.883 1.00 1.00 H new ATOM 0 HG3 PRO A 691 45.109 -21.489 -2.001 1.00 1.00 H new ATOM 0 HD2 PRO A 691 46.926 -19.101 -1.639 1.00 1.00 H new ATOM 0 HD3 PRO A 691 47.351 -20.752 -2.044 1.00 1.00 H new ATOM 100 N ASP A 692 44.073 -17.925 -5.686 1.00 1.00 N ATOM 101 CA ASP A 692 43.750 -16.624 -6.261 1.00 1.00 C ATOM 102 C ASP A 692 42.423 -16.111 -5.706 1.00 1.00 C ATOM 103 O ASP A 692 42.015 -14.984 -5.988 1.00 1.00 O ATOM 104 CB ASP A 692 43.662 -16.733 -7.785 1.00 1.00 C ATOM 105 CG ASP A 692 45.044 -17.004 -8.370 1.00 1.00 C ATOM 106 OD1 ASP A 692 46.015 -16.825 -7.653 1.00 1.00 O ATOM 107 OD2 ASP A 692 45.112 -17.390 -9.525 1.00 1.00 O ATOM 0 H ASP A 692 43.615 -18.716 -6.138 1.00 1.00 H new ATOM 0 HA ASP A 692 44.540 -15.922 -5.994 1.00 1.00 H new ATOM 0 HB2 ASP A 692 42.978 -17.535 -8.061 1.00 1.00 H new ATOM 0 HB3 ASP A 692 43.257 -15.811 -8.201 1.00 1.00 H new ATOM 112 N ILE A 693 41.761 -16.948 -4.915 1.00 1.00 N ATOM 113 CA ILE A 693 40.483 -16.595 -4.308 1.00 1.00 C ATOM 114 C ILE A 693 40.666 -15.462 -3.324 1.00 1.00 C ATOM 115 O ILE A 693 39.889 -14.509 -3.292 1.00 1.00 O ATOM 116 CB ILE A 693 39.888 -17.808 -3.590 1.00 1.00 C ATOM 117 CG1 ILE A 693 39.492 -18.866 -4.623 1.00 1.00 C ATOM 118 CG2 ILE A 693 38.650 -17.377 -2.801 1.00 1.00 C ATOM 119 CD1 ILE A 693 39.160 -20.179 -3.910 1.00 1.00 C ATOM 0 H ILE A 693 42.092 -17.883 -4.678 1.00 1.00 H new ATOM 0 HA ILE A 693 39.801 -16.275 -5.096 1.00 1.00 H new ATOM 0 HB ILE A 693 40.627 -18.225 -2.906 1.00 1.00 H new ATOM 0 HG12 ILE A 693 38.631 -18.524 -5.197 1.00 1.00 H new ATOM 0 HG13 ILE A 693 40.306 -19.020 -5.331 1.00 1.00 H new ATOM 0 HG21 ILE A 693 38.226 -18.241 -2.289 1.00 1.00 H new ATOM 0 HG22 ILE A 693 38.931 -16.622 -2.067 1.00 1.00 H new ATOM 0 HG23 ILE A 693 37.910 -16.960 -3.484 1.00 1.00 H new ATOM 0 HD11 ILE A 693 38.878 -20.932 -4.646 1.00 1.00 H new ATOM 0 HD12 ILE A 693 40.033 -20.523 -3.356 1.00 1.00 H new ATOM 0 HD13 ILE A 693 38.332 -20.019 -3.220 1.00 1.00 H new ATOM 131 N LEU A 694 41.717 -15.570 -2.527 1.00 1.00 N ATOM 132 CA LEU A 694 42.027 -14.556 -1.544 1.00 1.00 C ATOM 133 C LEU A 694 42.326 -13.243 -2.245 1.00 1.00 C ATOM 134 O LEU A 694 41.921 -12.178 -1.786 1.00 1.00 O ATOM 135 CB LEU A 694 43.233 -14.982 -0.705 1.00 1.00 C ATOM 136 CG LEU A 694 42.772 -15.927 0.407 1.00 1.00 C ATOM 137 CD1 LEU A 694 42.128 -17.172 -0.208 1.00 1.00 C ATOM 138 CD2 LEU A 694 43.979 -16.342 1.252 1.00 1.00 C ATOM 0 H LEU A 694 42.369 -16.354 -2.545 1.00 1.00 H new ATOM 0 HA LEU A 694 41.169 -14.428 -0.884 1.00 1.00 H new ATOM 0 HB2 LEU A 694 43.971 -15.478 -1.335 1.00 1.00 H new ATOM 0 HB3 LEU A 694 43.718 -14.106 -0.275 1.00 1.00 H new ATOM 0 HG LEU A 694 42.042 -15.417 1.036 1.00 1.00 H new ATOM 0 HD11 LEU A 694 41.801 -17.843 0.587 1.00 1.00 H new ATOM 0 HD12 LEU A 694 41.269 -16.877 -0.811 1.00 1.00 H new ATOM 0 HD13 LEU A 694 42.855 -17.684 -0.839 1.00 1.00 H new ATOM 0 HD21 LEU A 694 43.654 -17.015 2.045 1.00 1.00 H new ATOM 0 HD22 LEU A 694 44.708 -16.850 0.621 1.00 1.00 H new ATOM 0 HD23 LEU A 694 44.436 -15.456 1.693 1.00 1.00 H new ATOM 150 N VAL A 695 43.040 -13.325 -3.362 1.00 1.00 N ATOM 151 CA VAL A 695 43.395 -12.130 -4.123 1.00 1.00 C ATOM 152 C VAL A 695 42.139 -11.468 -4.651 1.00 1.00 C ATOM 153 O VAL A 695 41.960 -10.255 -4.545 1.00 1.00 O ATOM 154 CB VAL A 695 44.310 -12.504 -5.292 1.00 1.00 C ATOM 155 CG1 VAL A 695 44.509 -11.287 -6.199 1.00 1.00 C ATOM 156 CG2 VAL A 695 45.666 -12.961 -4.751 1.00 1.00 C ATOM 0 H VAL A 695 43.383 -14.199 -3.760 1.00 1.00 H new ATOM 0 HA VAL A 695 43.921 -11.436 -3.467 1.00 1.00 H new ATOM 0 HB VAL A 695 43.853 -13.312 -5.864 1.00 1.00 H new ATOM 0 HG11 VAL A 695 45.161 -11.556 -7.030 1.00 1.00 H new ATOM 0 HG12 VAL A 695 43.544 -10.960 -6.586 1.00 1.00 H new ATOM 0 HG13 VAL A 695 44.964 -10.478 -5.628 1.00 1.00 H new ATOM 0 HG21 VAL A 695 46.318 -13.228 -5.583 1.00 1.00 H new ATOM 0 HG22 VAL A 695 46.120 -12.153 -4.178 1.00 1.00 H new ATOM 0 HG23 VAL A 695 45.527 -13.829 -4.106 1.00 1.00 H new ATOM 166 N VAL A 696 41.260 -12.292 -5.197 1.00 1.00 N ATOM 167 CA VAL A 696 40.002 -11.811 -5.724 1.00 1.00 C ATOM 168 C VAL A 696 39.166 -11.240 -4.591 1.00 1.00 C ATOM 169 O VAL A 696 38.536 -10.195 -4.739 1.00 1.00 O ATOM 170 CB VAL A 696 39.242 -12.954 -6.401 1.00 1.00 C ATOM 171 CG1 VAL A 696 37.840 -12.477 -6.785 1.00 1.00 C ATOM 172 CG2 VAL A 696 39.996 -13.390 -7.660 1.00 1.00 C ATOM 0 H VAL A 696 41.399 -13.299 -5.285 1.00 1.00 H new ATOM 0 HA VAL A 696 40.198 -11.033 -6.462 1.00 1.00 H new ATOM 0 HB VAL A 696 39.163 -13.796 -5.714 1.00 1.00 H new ATOM 0 HG11 VAL A 696 37.298 -13.291 -7.267 1.00 1.00 H new ATOM 0 HG12 VAL A 696 37.304 -12.165 -5.889 1.00 1.00 H new ATOM 0 HG13 VAL A 696 37.918 -11.635 -7.473 1.00 1.00 H new ATOM 0 HG21 VAL A 696 39.456 -14.204 -8.144 1.00 1.00 H new ATOM 0 HG22 VAL A 696 40.074 -12.548 -8.347 1.00 1.00 H new ATOM 0 HG23 VAL A 696 40.995 -13.729 -7.387 1.00 1.00 H new ATOM 182 N LEU A 697 39.150 -11.950 -3.467 1.00 1.00 N ATOM 183 CA LEU A 697 38.363 -11.528 -2.307 1.00 1.00 C ATOM 184 C LEU A 697 38.824 -10.170 -1.762 1.00 1.00 C ATOM 185 O LEU A 697 38.011 -9.323 -1.397 1.00 1.00 O ATOM 186 CB LEU A 697 38.489 -12.587 -1.202 1.00 1.00 C ATOM 187 CG LEU A 697 37.689 -12.171 0.041 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.223 -11.944 -0.330 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.775 -13.283 1.087 1.00 1.00 C ATOM 0 H LEU A 697 39.670 -12.817 -3.332 1.00 1.00 H new ATOM 0 HA LEU A 697 37.326 -11.424 -2.625 1.00 1.00 H new ATOM 0 HB2 LEU A 697 38.127 -13.548 -1.569 1.00 1.00 H new ATOM 0 HB3 LEU A 697 39.538 -12.721 -0.938 1.00 1.00 H new ATOM 0 HG LEU A 697 38.104 -11.246 0.442 1.00 1.00 H new ATOM 0 HD11 LEU A 697 35.664 -11.649 0.558 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.155 -11.155 -1.079 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.803 -12.865 -0.734 1.00 1.00 H new ATOM 0 HD21 LEU A 697 37.209 -12.994 1.973 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.360 -14.203 0.675 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.818 -13.446 1.360 1.00 1.00 H new ATOM 201 N LEU A 698 40.129 -9.983 -1.691 1.00 1.00 N ATOM 202 CA LEU A 698 40.697 -8.736 -1.185 1.00 1.00 C ATOM 203 C LEU A 698 40.376 -7.579 -2.112 1.00 1.00 C ATOM 204 O LEU A 698 40.047 -6.479 -1.668 1.00 1.00 O ATOM 205 CB LEU A 698 42.214 -8.866 -1.028 1.00 1.00 C ATOM 206 CG LEU A 698 42.535 -9.808 0.141 1.00 1.00 C ATOM 207 CD1 LEU A 698 44.029 -10.139 0.136 1.00 1.00 C ATOM 208 CD2 LEU A 698 42.171 -9.143 1.476 1.00 1.00 C ATOM 0 H LEU A 698 40.821 -10.676 -1.976 1.00 1.00 H new ATOM 0 HA LEU A 698 40.252 -8.536 -0.210 1.00 1.00 H new ATOM 0 HB2 LEU A 698 42.653 -9.251 -1.949 1.00 1.00 H new ATOM 0 HB3 LEU A 698 42.656 -7.886 -0.850 1.00 1.00 H new ATOM 0 HG LEU A 698 41.952 -10.722 0.026 1.00 1.00 H new ATOM 0 HD11 LEU A 698 44.256 -10.808 0.966 1.00 1.00 H new ATOM 0 HD12 LEU A 698 44.291 -10.625 -0.804 1.00 1.00 H new ATOM 0 HD13 LEU A 698 44.606 -9.220 0.242 1.00 1.00 H new ATOM 0 HD21 LEU A 698 42.404 -9.822 2.296 1.00 1.00 H new ATOM 0 HD22 LEU A 698 42.744 -8.223 1.593 1.00 1.00 H new ATOM 0 HD23 LEU A 698 41.106 -8.911 1.488 1.00 1.00 H new ATOM 220 N SER A 699 40.490 -7.838 -3.406 1.00 1.00 N ATOM 221 CA SER A 699 40.236 -6.824 -4.413 1.00 1.00 C ATOM 222 C SER A 699 38.798 -6.326 -4.358 1.00 1.00 C ATOM 223 O SER A 699 38.545 -5.132 -4.510 1.00 1.00 O ATOM 224 CB SER A 699 40.533 -7.417 -5.790 1.00 1.00 C ATOM 225 OG SER A 699 39.727 -8.575 -5.975 1.00 1.00 O ATOM 0 H SER A 699 40.758 -8.747 -3.783 1.00 1.00 H new ATOM 0 HA SER A 699 40.884 -5.969 -4.220 1.00 1.00 H new ATOM 0 HB2 SER A 699 40.325 -6.684 -6.569 1.00 1.00 H new ATOM 0 HB3 SER A 699 41.589 -7.676 -5.870 1.00 1.00 H new ATOM 0 HG SER A 699 39.421 -8.903 -5.104 1.00 1.00 H new ATOM 231 N VAL A 700 37.853 -7.233 -4.127 1.00 1.00 N ATOM 232 CA VAL A 700 36.445 -6.814 -4.049 1.00 1.00 C ATOM 233 C VAL A 700 36.225 -6.015 -2.782 1.00 1.00 C ATOM 234 O VAL A 700 35.519 -5.008 -2.783 1.00 1.00 O ATOM 235 CB VAL A 700 35.480 -7.999 -4.115 1.00 1.00 C ATOM 236 CG1 VAL A 700 35.527 -8.611 -5.516 1.00 1.00 C ATOM 237 CG2 VAL A 700 35.894 -9.048 -3.099 1.00 1.00 C ATOM 0 H VAL A 700 38.020 -8.230 -3.994 1.00 1.00 H new ATOM 0 HA VAL A 700 36.233 -6.190 -4.918 1.00 1.00 H new ATOM 0 HB VAL A 700 34.469 -7.656 -3.895 1.00 1.00 H new ATOM 0 HG11 VAL A 700 34.840 -9.456 -5.567 1.00 1.00 H new ATOM 0 HG12 VAL A 700 35.234 -7.861 -6.251 1.00 1.00 H new ATOM 0 HG13 VAL A 700 36.540 -8.953 -5.730 1.00 1.00 H new ATOM 0 HG21 VAL A 700 35.206 -9.892 -3.147 1.00 1.00 H new ATOM 0 HG22 VAL A 700 36.905 -9.391 -3.321 1.00 1.00 H new ATOM 0 HG23 VAL A 700 35.869 -8.616 -2.099 1.00 1.00 H new ATOM 247 N MET A 701 36.845 -6.464 -1.702 1.00 1.00 N ATOM 248 CA MET A 701 36.723 -5.773 -0.435 1.00 1.00 C ATOM 249 C MET A 701 37.278 -4.365 -0.592 1.00 1.00 C ATOM 250 O MET A 701 36.719 -3.404 -0.060 1.00 1.00 O ATOM 251 CB MET A 701 37.496 -6.528 0.652 1.00 1.00 C ATOM 252 CG MET A 701 37.319 -5.822 2.001 1.00 1.00 C ATOM 253 SD MET A 701 38.190 -6.744 3.293 1.00 1.00 S ATOM 254 CE MET A 701 39.832 -6.020 3.043 1.00 1.00 C ATOM 0 H MET A 701 37.433 -7.297 -1.680 1.00 1.00 H new ATOM 0 HA MET A 701 35.675 -5.724 -0.140 1.00 1.00 H new ATOM 0 HB2 MET A 701 37.137 -7.555 0.719 1.00 1.00 H new ATOM 0 HB3 MET A 701 38.554 -6.576 0.392 1.00 1.00 H new ATOM 0 HG2 MET A 701 37.706 -4.805 1.943 1.00 1.00 H new ATOM 0 HG3 MET A 701 36.260 -5.746 2.246 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.531 -6.445 3.764 1.00 1.00 H new ATOM 0 HE2 MET A 701 40.176 -6.238 2.032 1.00 1.00 H new ATOM 0 HE3 MET A 701 39.779 -4.940 3.183 1.00 1.00 H new ATOM 264 N GLY A 702 38.383 -4.257 -1.340 1.00 1.00 N ATOM 265 CA GLY A 702 39.025 -2.961 -1.585 1.00 1.00 C ATOM 266 C GLY A 702 38.102 -2.048 -2.377 1.00 1.00 C ATOM 267 O GLY A 702 38.013 -0.849 -2.107 1.00 1.00 O ATOM 0 H GLY A 702 38.849 -5.048 -1.784 1.00 1.00 H new ATOM 0 HA2 GLY A 702 39.283 -2.492 -0.636 1.00 1.00 H new ATOM 0 HA3 GLY A 702 39.957 -3.108 -2.131 1.00 1.00 H new ATOM 271 N ALA A 703 37.426 -2.623 -3.355 1.00 1.00 N ATOM 272 CA ALA A 703 36.515 -1.853 -4.176 1.00 1.00 C ATOM 273 C ALA A 703 35.360 -1.316 -3.331 1.00 1.00 C ATOM 274 O ALA A 703 34.910 -0.185 -3.532 1.00 1.00 O ATOM 275 CB ALA A 703 35.959 -2.738 -5.299 1.00 1.00 C ATOM 0 H ALA A 703 37.491 -3.612 -3.597 1.00 1.00 H new ATOM 0 HA ALA A 703 37.058 -1.012 -4.607 1.00 1.00 H new ATOM 0 HB1 ALA A 703 35.274 -2.156 -5.915 1.00 1.00 H new ATOM 0 HB2 ALA A 703 36.781 -3.103 -5.915 1.00 1.00 H new ATOM 0 HB3 ALA A 703 35.427 -3.585 -4.865 1.00 1.00 H new ATOM 281 N ILE A 704 34.874 -2.123 -2.383 1.00 1.00 N ATOM 282 CA ILE A 704 33.756 -1.693 -1.546 1.00 1.00 C ATOM 283 C ILE A 704 34.154 -0.473 -0.717 1.00 1.00 C ATOM 284 O ILE A 704 33.400 0.496 -0.615 1.00 1.00 O ATOM 285 CB ILE A 704 33.333 -2.836 -0.610 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.728 -3.966 -1.448 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.294 -2.331 0.405 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.585 -5.220 -0.589 1.00 1.00 C ATOM 0 H ILE A 704 35.229 -3.057 -2.180 1.00 1.00 H new ATOM 0 HA ILE A 704 32.919 -1.426 -2.192 1.00 1.00 H new ATOM 0 HB ILE A 704 34.204 -3.202 -0.067 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.754 -3.665 -1.834 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.363 -4.173 -2.310 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.001 -3.149 1.063 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.726 -1.525 0.998 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.417 -1.961 -0.126 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.154 -6.023 -1.187 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.566 -5.525 -0.224 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.933 -5.008 0.258 1.00 1.00 H new ATOM 300 N LEU A 705 35.346 -0.523 -0.135 1.00 1.00 N ATOM 301 CA LEU A 705 35.820 0.581 0.695 1.00 1.00 C ATOM 302 C LEU A 705 35.923 1.868 -0.127 1.00 1.00 C ATOM 303 O LEU A 705 35.532 2.935 0.336 1.00 1.00 O ATOM 304 CB LEU A 705 37.207 0.238 1.259 1.00 1.00 C ATOM 305 CG LEU A 705 37.710 1.385 2.148 1.00 1.00 C ATOM 306 CD1 LEU A 705 36.732 1.617 3.299 1.00 1.00 C ATOM 307 CD2 LEU A 705 39.071 1.018 2.731 1.00 1.00 C ATOM 0 H LEU A 705 35.996 -1.305 -0.219 1.00 1.00 H new ATOM 0 HA LEU A 705 35.109 0.733 1.507 1.00 1.00 H new ATOM 0 HB2 LEU A 705 37.156 -0.685 1.836 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.908 0.065 0.443 1.00 1.00 H new ATOM 0 HG LEU A 705 37.792 2.290 1.545 1.00 1.00 H new ATOM 0 HD11 LEU A 705 37.094 2.432 3.926 1.00 1.00 H new ATOM 0 HD12 LEU A 705 35.752 1.876 2.897 1.00 1.00 H new ATOM 0 HD13 LEU A 705 36.651 0.709 3.896 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.428 1.832 3.362 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.979 0.110 3.327 1.00 1.00 H new ATOM 0 HD23 LEU A 705 39.780 0.849 1.921 1.00 1.00 H new ATOM 319 N LEU A 706 36.451 1.763 -1.341 1.00 1.00 N ATOM 320 CA LEU A 706 36.601 2.939 -2.210 1.00 1.00 C ATOM 321 C LEU A 706 35.237 3.551 -2.553 1.00 1.00 C ATOM 322 O LEU A 706 35.090 4.766 -2.601 1.00 1.00 O ATOM 323 CB LEU A 706 37.321 2.557 -3.506 1.00 1.00 C ATOM 324 CG LEU A 706 37.460 3.788 -4.419 1.00 1.00 C ATOM 325 CD1 LEU A 706 38.203 4.927 -3.706 1.00 1.00 C ATOM 326 CD2 LEU A 706 38.241 3.380 -5.661 1.00 1.00 C ATOM 0 H LEU A 706 36.781 0.888 -1.749 1.00 1.00 H new ATOM 0 HA LEU A 706 37.192 3.677 -1.667 1.00 1.00 H new ATOM 0 HB2 LEU A 706 38.307 2.152 -3.277 1.00 1.00 H new ATOM 0 HB3 LEU A 706 36.766 1.773 -4.022 1.00 1.00 H new ATOM 0 HG LEU A 706 36.465 4.146 -4.685 1.00 1.00 H new ATOM 0 HD11 LEU A 706 38.286 5.783 -4.376 1.00 1.00 H new ATOM 0 HD12 LEU A 706 37.651 5.218 -2.812 1.00 1.00 H new ATOM 0 HD13 LEU A 706 39.200 4.590 -3.423 1.00 1.00 H new ATOM 0 HD21 LEU A 706 38.350 4.240 -6.321 1.00 1.00 H new ATOM 0 HD22 LEU A 706 39.227 3.020 -5.369 1.00 1.00 H new ATOM 0 HD23 LEU A 706 37.705 2.587 -6.183 1.00 1.00 H new ATOM 338 N ILE A 707 34.261 2.681 -2.807 1.00 1.00 N ATOM 339 CA ILE A 707 32.905 3.108 -3.160 1.00 1.00 C ATOM 340 C ILE A 707 32.246 3.908 -2.029 1.00 1.00 C ATOM 341 O ILE A 707 31.521 4.857 -2.290 1.00 1.00 O ATOM 342 CB ILE A 707 32.037 1.907 -3.572 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.529 1.368 -4.918 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.582 2.356 -3.723 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.888 0.009 -5.200 1.00 1.00 C ATOM 0 H ILE A 707 34.384 1.669 -2.775 1.00 1.00 H new ATOM 0 HA ILE A 707 32.987 3.774 -4.019 1.00 1.00 H new ATOM 0 HB ILE A 707 32.107 1.131 -2.810 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.279 2.070 -5.714 1.00 1.00 H new ATOM 0 HG13 ILE A 707 33.615 1.272 -4.906 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.967 1.505 -4.015 1.00 1.00 H new ATOM 0 HG22 ILE A 707 30.224 2.754 -2.774 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.518 3.130 -4.488 1.00 1.00 H new ATOM 0 HD11 ILE A 707 32.242 -0.368 -6.159 1.00 1.00 H new ATOM 0 HD12 ILE A 707 32.160 -0.692 -4.411 1.00 1.00 H new ATOM 0 HD13 ILE A 707 30.804 0.118 -5.231 1.00 1.00 H new ATOM 357 N GLY A 708 32.434 3.459 -0.790 1.00 1.00 N ATOM 358 CA GLY A 708 31.834 4.113 0.383 1.00 1.00 C ATOM 359 C GLY A 708 32.469 5.472 0.640 1.00 1.00 C ATOM 360 O GLY A 708 31.785 6.460 0.906 1.00 1.00 O ATOM 0 H GLY A 708 33.000 2.640 -0.566 1.00 1.00 H new ATOM 0 HA2 GLY A 708 30.762 4.233 0.227 1.00 1.00 H new ATOM 0 HA3 GLY A 708 31.959 3.478 1.260 1.00 1.00 H new ATOM 364 N LEU A 709 33.793 5.508 0.561 1.00 1.00 N ATOM 365 CA LEU A 709 34.553 6.731 0.767 1.00 1.00 C ATOM 366 C LEU A 709 34.338 7.727 -0.355 1.00 1.00 C ATOM 367 O LEU A 709 34.369 8.932 -0.130 1.00 1.00 O ATOM 368 CB LEU A 709 36.046 6.434 0.919 1.00 1.00 C ATOM 369 CG LEU A 709 36.361 6.152 2.392 1.00 1.00 C ATOM 370 CD1 LEU A 709 35.431 5.059 2.927 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.822 5.700 2.524 1.00 1.00 C ATOM 0 H LEU A 709 34.368 4.692 0.353 1.00 1.00 H new ATOM 0 HA LEU A 709 34.185 7.177 1.691 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.322 5.576 0.306 1.00 1.00 H new ATOM 0 HB3 LEU A 709 36.634 7.281 0.565 1.00 1.00 H new ATOM 0 HG LEU A 709 36.208 7.062 2.973 1.00 1.00 H new ATOM 0 HD11 LEU A 709 35.662 4.865 3.974 1.00 1.00 H new ATOM 0 HD12 LEU A 709 34.395 5.387 2.839 1.00 1.00 H new ATOM 0 HD13 LEU A 709 35.573 4.146 2.349 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.047 5.499 3.571 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.977 4.793 1.939 1.00 1.00 H new ATOM 0 HD23 LEU A 709 38.481 6.486 2.155 1.00 1.00 H new ATOM 383 N ALA A 710 34.184 7.234 -1.580 1.00 1.00 N ATOM 384 CA ALA A 710 34.039 8.148 -2.708 1.00 1.00 C ATOM 385 C ALA A 710 32.960 9.208 -2.443 1.00 1.00 C ATOM 386 O ALA A 710 33.271 10.397 -2.440 1.00 1.00 O ATOM 387 CB ALA A 710 33.774 7.391 -4.012 1.00 1.00 C ATOM 0 H ALA A 710 34.157 6.241 -1.813 1.00 1.00 H new ATOM 0 HA ALA A 710 34.987 8.674 -2.823 1.00 1.00 H new ATOM 0 HB1 ALA A 710 33.671 8.103 -4.831 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.607 6.718 -4.218 1.00 1.00 H new ATOM 0 HB3 ALA A 710 32.855 6.812 -3.917 1.00 1.00 H new ATOM 393 N PRO A 711 31.715 8.838 -2.207 1.00 1.00 N ATOM 394 CA PRO A 711 30.645 9.836 -1.930 1.00 1.00 C ATOM 395 C PRO A 711 31.020 10.788 -0.799 1.00 1.00 C ATOM 396 O PRO A 711 30.785 11.992 -0.888 1.00 1.00 O ATOM 397 CB PRO A 711 29.442 8.997 -1.492 1.00 1.00 C ATOM 398 CG PRO A 711 29.674 7.635 -2.042 1.00 1.00 C ATOM 399 CD PRO A 711 31.189 7.466 -2.190 1.00 1.00 C ATOM 0 HA PRO A 711 30.459 10.455 -2.807 1.00 1.00 H new ATOM 0 HB2 PRO A 711 29.359 8.971 -0.405 1.00 1.00 H new ATOM 0 HB3 PRO A 711 28.512 9.419 -1.873 1.00 1.00 H new ATOM 0 HG2 PRO A 711 29.264 6.875 -1.377 1.00 1.00 H new ATOM 0 HG3 PRO A 711 29.177 7.518 -3.005 1.00 1.00 H new ATOM 0 HD2 PRO A 711 31.606 6.892 -1.363 1.00 1.00 H new ATOM 0 HD3 PRO A 711 31.441 6.933 -3.107 1.00 1.00 H new ATOM 407 N LEU A 712 31.632 10.244 0.250 1.00 1.00 N ATOM 408 CA LEU A 712 32.056 11.067 1.368 1.00 1.00 C ATOM 409 C LEU A 712 33.143 12.023 0.910 1.00 1.00 C ATOM 410 O LEU A 712 33.111 13.207 1.228 1.00 1.00 O ATOM 411 CB LEU A 712 32.590 10.186 2.501 1.00 1.00 C ATOM 412 CG LEU A 712 31.434 9.397 3.131 1.00 1.00 C ATOM 413 CD1 LEU A 712 31.991 8.358 4.107 1.00 1.00 C ATOM 414 CD2 LEU A 712 30.493 10.346 3.885 1.00 1.00 C ATOM 0 H LEU A 712 31.841 9.250 0.345 1.00 1.00 H new ATOM 0 HA LEU A 712 31.201 11.634 1.735 1.00 1.00 H new ATOM 0 HB2 LEU A 712 33.344 9.500 2.116 1.00 1.00 H new ATOM 0 HB3 LEU A 712 33.076 10.803 3.256 1.00 1.00 H new ATOM 0 HG LEU A 712 30.878 8.897 2.338 1.00 1.00 H new ATOM 0 HD11 LEU A 712 31.168 7.799 4.553 1.00 1.00 H new ATOM 0 HD12 LEU A 712 32.648 7.672 3.572 1.00 1.00 H new ATOM 0 HD13 LEU A 712 32.555 8.862 4.892 1.00 1.00 H new ATOM 0 HD21 LEU A 712 29.677 9.774 4.327 1.00 1.00 H new ATOM 0 HD22 LEU A 712 31.046 10.857 4.673 1.00 1.00 H new ATOM 0 HD23 LEU A 712 30.086 11.082 3.191 1.00 1.00 H new ATOM 426 N LEU A 713 34.095 11.506 0.135 1.00 1.00 N ATOM 427 CA LEU A 713 35.167 12.345 -0.375 1.00 1.00 C ATOM 428 C LEU A 713 34.599 13.394 -1.315 1.00 1.00 C ATOM 429 O LEU A 713 34.959 14.567 -1.245 1.00 1.00 O ATOM 430 CB LEU A 713 36.206 11.495 -1.114 1.00 1.00 C ATOM 431 CG LEU A 713 36.979 10.632 -0.106 1.00 1.00 C ATOM 432 CD1 LEU A 713 37.827 9.604 -0.857 1.00 1.00 C ATOM 433 CD2 LEU A 713 37.896 11.514 0.757 1.00 1.00 C ATOM 0 H LEU A 713 34.143 10.527 -0.147 1.00 1.00 H new ATOM 0 HA LEU A 713 35.653 12.840 0.466 1.00 1.00 H new ATOM 0 HB2 LEU A 713 35.713 10.859 -1.850 1.00 1.00 H new ATOM 0 HB3 LEU A 713 36.895 12.139 -1.660 1.00 1.00 H new ATOM 0 HG LEU A 713 36.265 10.121 0.540 1.00 1.00 H new ATOM 0 HD11 LEU A 713 38.375 8.992 -0.141 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.178 8.966 -1.458 1.00 1.00 H new ATOM 0 HD13 LEU A 713 38.532 10.120 -1.508 1.00 1.00 H new ATOM 0 HD21 LEU A 713 38.438 10.890 1.467 1.00 1.00 H new ATOM 0 HD22 LEU A 713 38.607 12.036 0.116 1.00 1.00 H new ATOM 0 HD23 LEU A 713 37.294 12.243 1.300 1.00 1.00 H new ATOM 445 N ILE A 714 33.687 12.967 -2.188 1.00 1.00 N ATOM 446 CA ILE A 714 33.066 13.893 -3.120 1.00 1.00 C ATOM 447 C ILE A 714 32.248 14.916 -2.352 1.00 1.00 C ATOM 448 O ILE A 714 32.333 16.113 -2.610 1.00 1.00 O ATOM 449 CB ILE A 714 32.161 13.134 -4.093 1.00 1.00 C ATOM 450 CG1 ILE A 714 33.021 12.259 -5.010 1.00 1.00 C ATOM 451 CG2 ILE A 714 31.365 14.131 -4.939 1.00 1.00 C ATOM 452 CD1 ILE A 714 32.123 11.293 -5.787 1.00 1.00 C ATOM 0 H ILE A 714 33.369 12.001 -2.266 1.00 1.00 H new ATOM 0 HA ILE A 714 33.845 14.402 -3.687 1.00 1.00 H new ATOM 0 HB ILE A 714 31.471 12.506 -3.531 1.00 1.00 H new ATOM 0 HG12 ILE A 714 33.585 12.884 -5.702 1.00 1.00 H new ATOM 0 HG13 ILE A 714 33.748 11.701 -4.420 1.00 1.00 H new ATOM 0 HG21 ILE A 714 30.721 13.588 -5.631 1.00 1.00 H new ATOM 0 HG22 ILE A 714 30.753 14.754 -4.287 1.00 1.00 H new ATOM 0 HG23 ILE A 714 32.053 14.761 -5.502 1.00 1.00 H new ATOM 0 HD11 ILE A 714 32.736 10.671 -6.439 1.00 1.00 H new ATOM 0 HD12 ILE A 714 31.579 10.659 -5.087 1.00 1.00 H new ATOM 0 HD13 ILE A 714 31.413 11.860 -6.389 1.00 1.00 H new ATOM 464 N TRP A 715 31.480 14.437 -1.376 1.00 1.00 N ATOM 465 CA TRP A 715 30.677 15.328 -0.558 1.00 1.00 C ATOM 466 C TRP A 715 31.599 16.249 0.220 1.00 1.00 C ATOM 467 O TRP A 715 31.380 17.455 0.291 1.00 1.00 O ATOM 468 CB TRP A 715 29.813 14.516 0.409 1.00 1.00 C ATOM 469 CG TRP A 715 29.117 15.436 1.360 1.00 1.00 C ATOM 470 CD1 TRP A 715 29.447 15.606 2.661 1.00 1.00 C ATOM 471 CD2 TRP A 715 27.976 16.306 1.108 1.00 1.00 C ATOM 472 NE1 TRP A 715 28.581 16.527 3.224 1.00 1.00 N ATOM 473 CE2 TRP A 715 27.656 16.986 2.308 1.00 1.00 C ATOM 474 CE3 TRP A 715 27.193 16.569 -0.031 1.00 1.00 C ATOM 475 CZ2 TRP A 715 26.598 17.895 2.373 1.00 1.00 C ATOM 476 CZ3 TRP A 715 26.129 17.483 0.032 1.00 1.00 C ATOM 477 CH2 TRP A 715 25.832 18.144 1.231 1.00 1.00 C ATOM 0 H TRP A 715 31.400 13.448 -1.138 1.00 1.00 H new ATOM 0 HA TRP A 715 30.022 15.919 -1.197 1.00 1.00 H new ATOM 0 HB2 TRP A 715 29.081 13.931 -0.147 1.00 1.00 H new ATOM 0 HB3 TRP A 715 30.434 13.810 0.960 1.00 1.00 H new ATOM 0 HD1 TRP A 715 30.254 15.105 3.176 1.00 1.00 H new ATOM 0 HE1 TRP A 715 28.621 16.830 4.197 1.00 1.00 H new ATOM 0 HE3 TRP A 715 27.412 16.064 -0.960 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 26.373 18.402 3.300 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 25.536 17.678 -0.849 1.00 1.00 H new ATOM 0 HH2 TRP A 715 25.012 18.845 1.273 1.00 1.00 H new ATOM 488 N ALA A 716 32.635 15.661 0.808 1.00 1.00 N ATOM 489 CA ALA A 716 33.586 16.430 1.588 1.00 1.00 C ATOM 490 C ALA A 716 34.229 17.498 0.718 1.00 1.00 C ATOM 491 O ALA A 716 34.421 18.625 1.159 1.00 1.00 O ATOM 492 CB ALA A 716 34.667 15.509 2.154 1.00 1.00 C ATOM 0 H ALA A 716 32.833 14.662 0.758 1.00 1.00 H new ATOM 0 HA ALA A 716 33.057 16.909 2.412 1.00 1.00 H new ATOM 0 HB1 ALA A 716 35.376 16.096 2.738 1.00 1.00 H new ATOM 0 HB2 ALA A 716 34.206 14.756 2.793 1.00 1.00 H new ATOM 0 HB3 ALA A 716 35.191 15.017 1.335 1.00 1.00 H new ATOM 498 N LEU A 717 34.551 17.147 -0.523 1.00 1.00 N ATOM 499 CA LEU A 717 35.156 18.102 -1.428 1.00 1.00 C ATOM 500 C LEU A 717 34.202 19.254 -1.699 1.00 1.00 C ATOM 501 O LEU A 717 34.600 20.407 -1.655 1.00 1.00 O ATOM 502 CB LEU A 717 35.531 17.418 -2.747 1.00 1.00 C ATOM 503 CG LEU A 717 36.835 16.627 -2.571 1.00 1.00 C ATOM 504 CD1 LEU A 717 37.067 15.754 -3.806 1.00 1.00 C ATOM 505 CD2 LEU A 717 38.024 17.585 -2.404 1.00 1.00 C ATOM 0 H LEU A 717 34.403 16.218 -0.916 1.00 1.00 H new ATOM 0 HA LEU A 717 36.059 18.495 -0.961 1.00 1.00 H new ATOM 0 HB2 LEU A 717 34.729 16.750 -3.061 1.00 1.00 H new ATOM 0 HB3 LEU A 717 35.651 18.164 -3.533 1.00 1.00 H new ATOM 0 HG LEU A 717 36.751 16.004 -1.680 1.00 1.00 H new ATOM 0 HD11 LEU A 717 37.992 15.191 -3.685 1.00 1.00 H new ATOM 0 HD12 LEU A 717 36.233 15.062 -3.924 1.00 1.00 H new ATOM 0 HD13 LEU A 717 37.141 16.387 -4.690 1.00 1.00 H new ATOM 0 HD21 LEU A 717 38.941 17.009 -2.280 1.00 1.00 H new ATOM 0 HD22 LEU A 717 38.109 18.217 -3.288 1.00 1.00 H new ATOM 0 HD23 LEU A 717 37.867 18.210 -1.525 1.00 1.00 H new ATOM 517 N LEU A 718 32.927 18.959 -1.932 1.00 1.00 N ATOM 518 CA LEU A 718 31.973 20.035 -2.148 1.00 1.00 C ATOM 519 C LEU A 718 31.870 20.868 -0.880 1.00 1.00 C ATOM 520 O LEU A 718 31.888 22.094 -0.924 1.00 1.00 O ATOM 521 CB LEU A 718 30.583 19.497 -2.529 1.00 1.00 C ATOM 522 CG LEU A 718 30.488 19.208 -4.040 1.00 1.00 C ATOM 523 CD1 LEU A 718 31.291 17.961 -4.412 1.00 1.00 C ATOM 524 CD2 LEU A 718 29.022 18.981 -4.414 1.00 1.00 C ATOM 0 H LEU A 718 32.542 18.016 -1.975 1.00 1.00 H new ATOM 0 HA LEU A 718 32.329 20.647 -2.977 1.00 1.00 H new ATOM 0 HB2 LEU A 718 30.378 18.585 -1.969 1.00 1.00 H new ATOM 0 HB3 LEU A 718 29.820 20.223 -2.247 1.00 1.00 H new ATOM 0 HG LEU A 718 30.896 20.061 -4.581 1.00 1.00 H new ATOM 0 HD11 LEU A 718 31.207 17.780 -5.484 1.00 1.00 H new ATOM 0 HD12 LEU A 718 32.338 18.111 -4.151 1.00 1.00 H new ATOM 0 HD13 LEU A 718 30.901 17.101 -3.867 1.00 1.00 H new ATOM 0 HD21 LEU A 718 28.946 18.776 -5.482 1.00 1.00 H new ATOM 0 HD22 LEU A 718 28.631 18.132 -3.853 1.00 1.00 H new ATOM 0 HD23 LEU A 718 28.443 19.873 -4.174 1.00 1.00 H new ATOM 536 N ILE A 719 31.795 20.191 0.261 1.00 1.00 N ATOM 537 CA ILE A 719 31.722 20.883 1.537 1.00 1.00 C ATOM 538 C ILE A 719 33.011 21.637 1.765 1.00 1.00 C ATOM 539 O ILE A 719 33.001 22.811 2.133 1.00 1.00 O ATOM 540 CB ILE A 719 31.493 19.870 2.670 1.00 1.00 C ATOM 541 CG1 ILE A 719 30.084 19.255 2.555 1.00 1.00 C ATOM 542 CG2 ILE A 719 31.677 20.531 4.041 1.00 1.00 C ATOM 543 CD1 ILE A 719 28.990 20.329 2.695 1.00 1.00 C ATOM 0 H ILE A 719 31.783 19.173 0.326 1.00 1.00 H new ATOM 0 HA ILE A 719 30.889 21.586 1.526 1.00 1.00 H new ATOM 0 HB ILE A 719 32.234 19.076 2.575 1.00 1.00 H new ATOM 0 HG12 ILE A 719 29.982 18.753 1.593 1.00 1.00 H new ATOM 0 HG13 ILE A 719 29.952 18.496 3.326 1.00 1.00 H new ATOM 0 HG21 ILE A 719 31.510 19.793 4.826 1.00 1.00 H new ATOM 0 HG22 ILE A 719 32.690 20.924 4.122 1.00 1.00 H new ATOM 0 HG23 ILE A 719 30.962 21.346 4.151 1.00 1.00 H new ATOM 0 HD11 ILE A 719 28.009 19.862 2.609 1.00 1.00 H new ATOM 0 HD12 ILE A 719 29.078 20.813 3.668 1.00 1.00 H new ATOM 0 HD13 ILE A 719 29.108 21.073 1.907 1.00 1.00 H new ATOM 555 N THR A 720 34.125 20.968 1.502 1.00 1.00 N ATOM 556 CA THR A 720 35.416 21.616 1.645 1.00 1.00 C ATOM 557 C THR A 720 35.544 22.749 0.634 1.00 1.00 C ATOM 558 O THR A 720 35.975 23.851 0.971 1.00 1.00 O ATOM 559 CB THR A 720 36.551 20.611 1.443 1.00 1.00 C ATOM 560 OG1 THR A 720 36.315 19.459 2.242 1.00 1.00 O ATOM 561 CG2 THR A 720 37.879 21.248 1.850 1.00 1.00 C ATOM 0 H THR A 720 34.160 19.996 1.195 1.00 1.00 H new ATOM 0 HA THR A 720 35.487 22.022 2.654 1.00 1.00 H new ATOM 0 HB THR A 720 36.594 20.323 0.393 1.00 1.00 H new ATOM 0 HG1 THR A 720 35.535 18.976 1.897 1.00 1.00 H new ATOM 0 HG21 THR A 720 38.686 20.530 1.705 1.00 1.00 H new ATOM 0 HG22 THR A 720 38.063 22.130 1.236 1.00 1.00 H new ATOM 0 HG23 THR A 720 37.836 21.539 2.899 1.00 1.00 H new ATOM 569 N ILE A 721 35.182 22.462 -0.616 1.00 1.00 N ATOM 570 CA ILE A 721 35.282 23.476 -1.678 1.00 1.00 C ATOM 571 C ILE A 721 34.338 24.671 -1.479 1.00 1.00 C ATOM 572 O ILE A 721 34.741 25.819 -1.674 1.00 1.00 O ATOM 573 CB ILE A 721 35.038 22.842 -3.048 1.00 1.00 C ATOM 574 CG1 ILE A 721 36.216 21.924 -3.406 1.00 1.00 C ATOM 575 CG2 ILE A 721 34.913 23.942 -4.103 1.00 1.00 C ATOM 576 CD1 ILE A 721 35.832 21.042 -4.595 1.00 1.00 C ATOM 0 H ILE A 721 34.823 21.557 -0.920 1.00 1.00 H new ATOM 0 HA ILE A 721 36.297 23.868 -1.624 1.00 1.00 H new ATOM 0 HB ILE A 721 34.118 22.258 -3.019 1.00 1.00 H new ATOM 0 HG12 ILE A 721 37.095 22.521 -3.651 1.00 1.00 H new ATOM 0 HG13 ILE A 721 36.481 21.304 -2.550 1.00 1.00 H new ATOM 0 HG21 ILE A 721 34.739 23.491 -5.080 1.00 1.00 H new ATOM 0 HG22 ILE A 721 34.077 24.595 -3.851 1.00 1.00 H new ATOM 0 HG23 ILE A 721 35.833 24.525 -4.131 1.00 1.00 H new ATOM 0 HD11 ILE A 721 36.668 20.390 -4.849 1.00 1.00 H new ATOM 0 HD12 ILE A 721 34.965 20.435 -4.333 1.00 1.00 H new ATOM 0 HD13 ILE A 721 35.589 21.671 -5.451 1.00 1.00 H new ATOM 588 N HIS A 722 33.088 24.405 -1.113 1.00 1.00 N ATOM 589 CA HIS A 722 32.133 25.503 -0.929 1.00 1.00 C ATOM 590 C HIS A 722 32.523 26.355 0.277 1.00 1.00 C ATOM 591 O HIS A 722 32.226 27.547 0.308 1.00 1.00 O ATOM 592 CB HIS A 722 30.702 24.986 -0.754 1.00 1.00 C ATOM 593 CG HIS A 722 30.358 24.944 0.705 1.00 1.00 C ATOM 594 ND1 HIS A 722 30.878 23.990 1.561 1.00 1.00 N ATOM 595 CD2 HIS A 722 29.549 25.742 1.477 1.00 1.00 C ATOM 596 CE1 HIS A 722 30.382 24.239 2.790 1.00 1.00 C ATOM 597 NE2 HIS A 722 29.566 25.295 2.792 1.00 1.00 N ATOM 0 H HIS A 722 32.716 23.471 -0.941 1.00 1.00 H new ATOM 0 HA HIS A 722 32.165 26.115 -1.831 1.00 1.00 H new ATOM 0 HB2 HIS A 722 30.003 25.633 -1.284 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.608 23.991 -1.189 1.00 1.00 H new ATOM 0 HD1 HIS A 722 31.518 23.237 1.309 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.985 26.589 1.116 1.00 1.00 H new ATOM 0 HE1 HIS A 722 30.617 23.654 3.667 1.00 1.00 H new ATOM 605 N ASP A 723 33.163 25.712 1.266 1.00 1.00 N ATOM 606 CA ASP A 723 33.594 26.365 2.515 1.00 1.00 C ATOM 607 C ASP A 723 33.396 27.881 2.507 1.00 1.00 C ATOM 608 O ASP A 723 33.872 28.578 1.611 1.00 1.00 O ATOM 609 CB ASP A 723 35.067 26.049 2.784 1.00 1.00 C ATOM 610 CG ASP A 723 35.932 26.568 1.640 1.00 1.00 C ATOM 611 OD1 ASP A 723 35.372 27.031 0.661 1.00 1.00 O ATOM 612 OD2 ASP A 723 37.143 26.486 1.757 1.00 1.00 O ATOM 0 H ASP A 723 33.398 24.720 1.223 1.00 1.00 H new ATOM 0 HA ASP A 723 32.961 25.965 3.307 1.00 1.00 H new ATOM 0 HB2 ASP A 723 35.379 26.506 3.723 1.00 1.00 H new ATOM 0 HB3 ASP A 723 35.202 24.973 2.893 1.00 1.00 H new ATOM 617 N ARG A 724 32.701 28.382 3.523 1.00 1.00 N ATOM 618 CA ARG A 724 32.448 29.816 3.636 1.00 1.00 C ATOM 619 C ARG A 724 33.763 30.577 3.783 1.00 1.00 C ATOM 620 O ARG A 724 33.954 31.627 3.168 1.00 1.00 O ATOM 621 CB ARG A 724 31.548 30.091 4.847 1.00 1.00 C ATOM 622 CG ARG A 724 31.206 31.584 4.921 1.00 1.00 C ATOM 623 CD ARG A 724 30.359 31.850 6.166 1.00 1.00 C ATOM 624 NE ARG A 724 29.068 31.183 6.049 1.00 1.00 N ATOM 625 CZ ARG A 724 28.061 31.745 5.388 1.00 1.00 C ATOM 626 NH1 ARG A 724 28.218 32.914 4.830 1.00 1.00 N ATOM 627 NH2 ARG A 724 26.915 31.127 5.297 1.00 1.00 N ATOM 0 H ARG A 724 32.304 27.821 4.277 1.00 1.00 H new ATOM 0 HA ARG A 724 31.946 30.157 2.730 1.00 1.00 H new ATOM 0 HB2 ARG A 724 30.633 29.504 4.771 1.00 1.00 H new ATOM 0 HB3 ARG A 724 32.051 29.779 5.762 1.00 1.00 H new ATOM 0 HG2 ARG A 724 32.120 32.176 4.956 1.00 1.00 H new ATOM 0 HG3 ARG A 724 30.663 31.889 4.026 1.00 1.00 H new ATOM 0 HD2 ARG A 724 30.882 31.493 7.053 1.00 1.00 H new ATOM 0 HD3 ARG A 724 30.212 32.923 6.292 1.00 1.00 H new ATOM 0 HE ARG A 724 28.935 30.269 6.482 1.00 1.00 H new ATOM 0 HH11 ARG A 724 29.114 33.397 4.901 1.00 1.00 H new ATOM 0 HH12 ARG A 724 27.445 33.345 4.323 1.00 1.00 H new ATOM 0 HH21 ARG A 724 26.792 30.213 5.733 1.00 1.00 H new ATOM 0 HH22 ARG A 724 26.142 31.558 4.790 1.00 1.00 H new ATOM 641 N LYS A 725 34.660 30.042 4.606 1.00 1.00 N ATOM 642 CA LYS A 725 35.955 30.675 4.838 1.00 1.00 C ATOM 643 C LYS A 725 37.090 29.703 4.536 1.00 1.00 C ATOM 644 O LYS A 725 36.958 28.496 4.745 1.00 1.00 O ATOM 645 CB LYS A 725 36.054 31.137 6.293 1.00 1.00 C ATOM 646 CG LYS A 725 35.038 32.253 6.545 1.00 1.00 C ATOM 647 CD LYS A 725 35.129 32.703 8.004 1.00 1.00 C ATOM 648 CE LYS A 725 34.118 33.823 8.258 1.00 1.00 C ATOM 649 NZ LYS A 725 34.201 34.254 9.682 1.00 1.00 N ATOM 0 H LYS A 725 34.515 29.174 5.122 1.00 1.00 H new ATOM 0 HA LYS A 725 36.042 31.535 4.174 1.00 1.00 H new ATOM 0 HB2 LYS A 725 35.865 30.300 6.965 1.00 1.00 H new ATOM 0 HB3 LYS A 725 37.062 31.494 6.504 1.00 1.00 H new ATOM 0 HG2 LYS A 725 35.233 33.095 5.880 1.00 1.00 H new ATOM 0 HG3 LYS A 725 34.031 31.900 6.324 1.00 1.00 H new ATOM 0 HD2 LYS A 725 34.930 31.862 8.668 1.00 1.00 H new ATOM 0 HD3 LYS A 725 36.138 33.052 8.226 1.00 1.00 H new ATOM 0 HE2 LYS A 725 34.321 34.667 7.599 1.00 1.00 H new ATOM 0 HE3 LYS A 725 33.110 33.476 8.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 33.514 35.015 9.855 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 33.987 33.447 10.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 35.160 34.601 9.884 1.00 1.00 H new ATOM 663 N GLU A 726 38.202 30.238 4.040 1.00 1.00 N ATOM 664 CA GLU A 726 39.359 29.413 3.706 1.00 1.00 C ATOM 665 C GLU A 726 40.494 29.659 4.694 1.00 1.00 C ATOM 666 O GLU A 726 40.935 30.793 4.879 1.00 1.00 O ATOM 667 CB GLU A 726 39.838 29.738 2.290 1.00 1.00 C ATOM 668 CG GLU A 726 38.790 29.278 1.276 1.00 1.00 C ATOM 669 CD GLU A 726 39.215 29.678 -0.132 1.00 1.00 C ATOM 670 OE1 GLU A 726 40.279 30.260 -0.265 1.00 1.00 O ATOM 671 OE2 GLU A 726 38.472 29.395 -1.057 1.00 1.00 O ATOM 0 H GLU A 726 38.326 31.234 3.861 1.00 1.00 H new ATOM 0 HA GLU A 726 39.063 28.365 3.761 1.00 1.00 H new ATOM 0 HB2 GLU A 726 40.009 30.810 2.190 1.00 1.00 H new ATOM 0 HB3 GLU A 726 40.789 29.243 2.095 1.00 1.00 H new ATOM 0 HG2 GLU A 726 38.666 28.197 1.334 1.00 1.00 H new ATOM 0 HG3 GLU A 726 37.823 29.722 1.513 1.00 1.00 H new ATOM 678 N PHE A 727 40.963 28.588 5.327 1.00 1.00 N ATOM 679 CA PHE A 727 42.047 28.697 6.296 1.00 1.00 C ATOM 680 C PHE A 727 43.236 29.437 5.689 1.00 1.00 C ATOM 681 O PHE A 727 43.923 28.844 4.873 1.00 1.00 O ATOM 682 CB PHE A 727 42.487 27.303 6.746 1.00 1.00 C ATOM 683 CG PHE A 727 43.648 27.426 7.705 1.00 1.00 C ATOM 684 CD1 PHE A 727 43.430 27.874 9.014 1.00 1.00 C ATOM 685 CD2 PHE A 727 44.941 27.092 7.286 1.00 1.00 C ATOM 686 CE1 PHE A 727 44.506 27.989 9.903 1.00 1.00 C ATOM 687 CE2 PHE A 727 46.017 27.207 8.174 1.00 1.00 C ATOM 688 CZ PHE A 727 45.799 27.654 9.482 1.00 1.00 C ATOM 689 OXT PHE A 727 43.440 30.585 6.048 1.00 1.00 O ATOM 0 H PHE A 727 40.612 27.641 5.187 1.00 1.00 H new ATOM 0 HA PHE A 727 41.685 29.259 7.157 1.00 1.00 H new ATOM 0 HB2 PHE A 727 41.657 26.786 7.228 1.00 1.00 H new ATOM 0 HB3 PHE A 727 42.777 26.705 5.882 1.00 1.00 H new ATOM 0 HD1 PHE A 727 42.432 28.131 9.338 1.00 1.00 H new ATOM 0 HD2 PHE A 727 45.109 26.745 6.277 1.00 1.00 H new ATOM 0 HE1 PHE A 727 44.339 28.336 10.912 1.00 1.00 H new ATOM 0 HE2 PHE A 727 47.015 26.951 7.850 1.00 1.00 H new ATOM 0 HZ PHE A 727 46.629 27.741 10.168 1.00 1.00 H new TER 699 PHE A 727