USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=6 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= -0.0498 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot -8:sc= -0.172 USER MOD Single : A 701 MET CE :methyl -157:sc= -0.0703 (180deg=-0.69) USER MOD Single : A 720 THR OG1 : rot 85:sc= 0.897 USER MOD Single : A 722 HIS : no HE2:sc= 0.929 K(o=0.93,f=-3.1!) USER MOD Single : A 725 LYS NZ :NH3+ 162:sc= -0.0453 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 45.732 -17.899 -23.427 1.00 1.00 N ATOM 2 CA PRO A 685 46.271 -16.610 -23.927 1.00 1.00 C ATOM 3 C PRO A 685 45.472 -15.459 -23.325 1.00 1.00 C ATOM 4 O PRO A 685 45.673 -14.299 -23.683 1.00 1.00 O ATOM 5 CB PRO A 685 46.150 -16.601 -25.448 1.00 1.00 C ATOM 6 CG PRO A 685 45.278 -17.771 -25.774 1.00 1.00 C ATOM 7 CD PRO A 685 45.364 -18.749 -24.592 1.00 1.00 C ATOM 0 HA PRO A 685 47.316 -16.493 -23.640 1.00 1.00 H new ATOM 0 HB2 PRO A 685 45.710 -15.669 -25.803 1.00 1.00 H new ATOM 0 HB3 PRO A 685 47.127 -16.693 -25.922 1.00 1.00 H new ATOM 0 HG2 PRO A 685 44.248 -17.450 -25.933 1.00 1.00 H new ATOM 0 HG3 PRO A 685 45.608 -18.251 -26.695 1.00 1.00 H new ATOM 0 HD2 PRO A 685 44.414 -19.257 -24.428 1.00 1.00 H new ATOM 0 HD3 PRO A 685 46.112 -19.522 -24.771 1.00 1.00 H new ATOM 17 N GLU A 686 44.565 -15.788 -22.411 1.00 1.00 N ATOM 18 CA GLU A 686 43.740 -14.771 -21.767 1.00 1.00 C ATOM 19 C GLU A 686 44.602 -13.850 -20.906 1.00 1.00 C ATOM 20 O GLU A 686 44.374 -12.642 -20.855 1.00 1.00 O ATOM 21 CB GLU A 686 42.670 -15.436 -20.893 1.00 1.00 C ATOM 22 CG GLU A 686 41.700 -16.232 -21.771 1.00 1.00 C ATOM 23 CD GLU A 686 40.934 -15.293 -22.696 1.00 1.00 C ATOM 24 OE1 GLU A 686 40.876 -14.112 -22.392 1.00 1.00 O ATOM 25 OE2 GLU A 686 40.417 -15.766 -23.693 1.00 1.00 O ATOM 0 H GLU A 686 44.383 -16.743 -22.101 1.00 1.00 H new ATOM 0 HA GLU A 686 43.256 -14.179 -22.544 1.00 1.00 H new ATOM 0 HB2 GLU A 686 43.141 -16.097 -20.166 1.00 1.00 H new ATOM 0 HB3 GLU A 686 42.126 -14.678 -20.330 1.00 1.00 H new ATOM 0 HG2 GLU A 686 42.250 -16.966 -22.360 1.00 1.00 H new ATOM 0 HG3 GLU A 686 41.001 -16.786 -21.144 1.00 1.00 H new ATOM 32 N SER A 687 45.592 -14.427 -20.233 1.00 1.00 N ATOM 33 CA SER A 687 46.479 -13.644 -19.379 1.00 1.00 C ATOM 34 C SER A 687 45.709 -13.048 -18.203 1.00 1.00 C ATOM 35 O SER A 687 45.662 -11.830 -18.033 1.00 1.00 O ATOM 36 CB SER A 687 47.122 -12.519 -20.189 1.00 1.00 C ATOM 37 OG SER A 687 47.403 -12.989 -21.502 1.00 1.00 O ATOM 0 H SER A 687 45.800 -15.425 -20.261 1.00 1.00 H new ATOM 0 HA SER A 687 47.254 -14.305 -18.992 1.00 1.00 H new ATOM 0 HB2 SER A 687 46.454 -11.659 -20.233 1.00 1.00 H new ATOM 0 HB3 SER A 687 48.040 -12.185 -19.705 1.00 1.00 H new ATOM 0 HG SER A 687 47.814 -12.270 -22.026 1.00 1.00 H new ATOM 43 N PRO A 688 45.108 -13.883 -17.397 1.00 1.00 N ATOM 44 CA PRO A 688 44.320 -13.441 -16.212 1.00 1.00 C ATOM 45 C PRO A 688 45.204 -12.924 -15.081 1.00 1.00 C ATOM 46 O PRO A 688 46.370 -13.301 -14.973 1.00 1.00 O ATOM 47 CB PRO A 688 43.562 -14.705 -15.806 1.00 1.00 C ATOM 48 CG PRO A 688 44.455 -15.821 -16.221 1.00 1.00 C ATOM 49 CD PRO A 688 45.125 -15.354 -17.515 1.00 1.00 C ATOM 0 HA PRO A 688 43.664 -12.601 -16.439 1.00 1.00 H new ATOM 0 HB2 PRO A 688 43.371 -14.727 -14.733 1.00 1.00 H new ATOM 0 HB3 PRO A 688 42.594 -14.765 -16.303 1.00 1.00 H new ATOM 0 HG2 PRO A 688 45.196 -16.036 -15.452 1.00 1.00 H new ATOM 0 HG3 PRO A 688 43.888 -16.738 -16.382 1.00 1.00 H new ATOM 0 HD2 PRO A 688 46.141 -15.738 -17.603 1.00 1.00 H new ATOM 0 HD3 PRO A 688 44.579 -15.693 -18.395 1.00 1.00 H new ATOM 57 N LYS A 689 44.637 -12.061 -14.244 1.00 1.00 N ATOM 58 CA LYS A 689 45.374 -11.496 -13.120 1.00 1.00 C ATOM 59 C LYS A 689 44.624 -11.748 -11.815 1.00 1.00 C ATOM 60 O LYS A 689 43.393 -11.725 -11.781 1.00 1.00 O ATOM 61 CB LYS A 689 45.557 -9.989 -13.319 1.00 1.00 C ATOM 62 CG LYS A 689 46.465 -9.738 -14.526 1.00 1.00 C ATOM 63 CD LYS A 689 46.638 -8.230 -14.735 1.00 1.00 C ATOM 64 CE LYS A 689 47.553 -7.981 -15.936 1.00 1.00 C ATOM 65 NZ LYS A 689 47.714 -6.514 -16.144 1.00 1.00 N ATOM 0 H LYS A 689 43.672 -11.739 -14.323 1.00 1.00 H new ATOM 0 HA LYS A 689 46.351 -11.977 -13.069 1.00 1.00 H new ATOM 0 HB2 LYS A 689 44.589 -9.512 -13.474 1.00 1.00 H new ATOM 0 HB3 LYS A 689 45.993 -9.544 -12.424 1.00 1.00 H new ATOM 0 HG2 LYS A 689 47.436 -10.207 -14.367 1.00 1.00 H new ATOM 0 HG3 LYS A 689 46.034 -10.192 -15.418 1.00 1.00 H new ATOM 0 HD2 LYS A 689 45.668 -7.762 -14.901 1.00 1.00 H new ATOM 0 HD3 LYS A 689 47.063 -7.775 -13.840 1.00 1.00 H new ATOM 0 HE2 LYS A 689 48.525 -8.444 -15.768 1.00 1.00 H new ATOM 0 HE3 LYS A 689 47.131 -8.441 -16.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 48.336 -6.345 -16.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 46.784 -6.085 -16.323 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 48.135 -6.087 -15.294 1.00 1.00 H new ATOM 79 N GLY A 690 45.374 -11.990 -10.747 1.00 1.00 N ATOM 80 CA GLY A 690 44.771 -12.246 -9.446 1.00 1.00 C ATOM 81 C GLY A 690 43.792 -13.415 -9.517 1.00 1.00 C ATOM 82 O GLY A 690 42.642 -13.302 -9.094 1.00 1.00 O ATOM 0 H GLY A 690 46.394 -12.014 -10.756 1.00 1.00 H new ATOM 0 HA2 GLY A 690 45.551 -12.464 -8.716 1.00 1.00 H new ATOM 0 HA3 GLY A 690 44.251 -11.352 -9.100 1.00 1.00 H new ATOM 86 N PRO A 691 44.236 -14.529 -10.036 1.00 1.00 N ATOM 87 CA PRO A 691 43.395 -15.756 -10.167 1.00 1.00 C ATOM 88 C PRO A 691 43.009 -16.332 -8.808 1.00 1.00 C ATOM 89 O PRO A 691 42.032 -17.071 -8.694 1.00 1.00 O ATOM 90 CB PRO A 691 44.278 -16.726 -10.957 1.00 1.00 C ATOM 91 CG PRO A 691 45.676 -16.254 -10.735 1.00 1.00 C ATOM 92 CD PRO A 691 45.594 -14.741 -10.555 1.00 1.00 C ATOM 0 HA PRO A 691 42.445 -15.553 -10.662 1.00 1.00 H new ATOM 0 HB2 PRO A 691 44.148 -17.750 -10.607 1.00 1.00 H new ATOM 0 HB3 PRO A 691 44.023 -16.716 -12.017 1.00 1.00 H new ATOM 0 HG2 PRO A 691 46.111 -16.727 -9.855 1.00 1.00 H new ATOM 0 HG3 PRO A 691 46.312 -16.511 -11.582 1.00 1.00 H new ATOM 0 HD2 PRO A 691 46.351 -14.378 -9.859 1.00 1.00 H new ATOM 0 HD3 PRO A 691 45.750 -14.216 -11.497 1.00 1.00 H new ATOM 100 N ASP A 692 43.776 -15.986 -7.786 1.00 1.00 N ATOM 101 CA ASP A 692 43.499 -16.473 -6.441 1.00 1.00 C ATOM 102 C ASP A 692 42.185 -15.880 -5.911 1.00 1.00 C ATOM 103 O ASP A 692 41.833 -14.743 -6.202 1.00 1.00 O ATOM 104 CB ASP A 692 44.668 -16.129 -5.515 1.00 1.00 C ATOM 105 CG ASP A 692 45.824 -17.111 -5.719 1.00 1.00 C ATOM 106 OD1 ASP A 692 45.648 -18.073 -6.451 1.00 1.00 O ATOM 107 OD2 ASP A 692 46.874 -16.885 -5.139 1.00 1.00 O ATOM 0 H ASP A 692 44.589 -15.375 -7.859 1.00 1.00 H new ATOM 0 HA ASP A 692 43.386 -17.557 -6.472 1.00 1.00 H new ATOM 0 HB2 ASP A 692 45.008 -15.112 -5.712 1.00 1.00 H new ATOM 0 HB3 ASP A 692 44.337 -16.159 -4.477 1.00 1.00 H new ATOM 112 N ILE A 693 41.454 -16.688 -5.157 1.00 1.00 N ATOM 113 CA ILE A 693 40.180 -16.258 -4.586 1.00 1.00 C ATOM 114 C ILE A 693 40.432 -15.225 -3.500 1.00 1.00 C ATOM 115 O ILE A 693 39.730 -14.221 -3.389 1.00 1.00 O ATOM 116 CB ILE A 693 39.393 -17.443 -4.022 1.00 1.00 C ATOM 117 CG1 ILE A 693 38.985 -18.390 -5.153 1.00 1.00 C ATOM 118 CG2 ILE A 693 38.118 -16.933 -3.325 1.00 1.00 C ATOM 119 CD1 ILE A 693 38.480 -19.689 -4.530 1.00 1.00 C ATOM 0 H ILE A 693 41.719 -17.645 -4.925 1.00 1.00 H new ATOM 0 HA ILE A 693 39.580 -15.812 -5.379 1.00 1.00 H new ATOM 0 HB ILE A 693 40.025 -17.973 -3.309 1.00 1.00 H new ATOM 0 HG12 ILE A 693 38.207 -17.936 -5.767 1.00 1.00 H new ATOM 0 HG13 ILE A 693 39.834 -18.587 -5.808 1.00 1.00 H new ATOM 0 HG21 ILE A 693 37.559 -17.779 -2.924 1.00 1.00 H new ATOM 0 HG22 ILE A 693 38.392 -16.261 -2.512 1.00 1.00 H new ATOM 0 HG23 ILE A 693 37.499 -16.398 -4.045 1.00 1.00 H new ATOM 0 HD11 ILE A 693 38.183 -20.380 -5.319 1.00 1.00 H new ATOM 0 HD12 ILE A 693 39.274 -20.139 -3.933 1.00 1.00 H new ATOM 0 HD13 ILE A 693 37.622 -19.477 -3.892 1.00 1.00 H new ATOM 131 N LEU A 694 41.449 -15.497 -2.689 1.00 1.00 N ATOM 132 CA LEU A 694 41.806 -14.606 -1.599 1.00 1.00 C ATOM 133 C LEU A 694 42.212 -13.267 -2.179 1.00 1.00 C ATOM 134 O LEU A 694 41.878 -12.222 -1.638 1.00 1.00 O ATOM 135 CB LEU A 694 42.972 -15.183 -0.778 1.00 1.00 C ATOM 136 CG LEU A 694 42.436 -16.197 0.235 1.00 1.00 C ATOM 137 CD1 LEU A 694 41.756 -17.341 -0.514 1.00 1.00 C ATOM 138 CD2 LEU A 694 43.592 -16.750 1.073 1.00 1.00 C ATOM 0 H LEU A 694 42.037 -16.326 -2.768 1.00 1.00 H new ATOM 0 HA LEU A 694 40.947 -14.491 -0.938 1.00 1.00 H new ATOM 0 HB2 LEU A 694 43.694 -15.662 -1.440 1.00 1.00 H new ATOM 0 HB3 LEU A 694 43.498 -14.380 -0.261 1.00 1.00 H new ATOM 0 HG LEU A 694 41.717 -15.710 0.894 1.00 1.00 H new ATOM 0 HD11 LEU A 694 41.372 -18.067 0.202 1.00 1.00 H new ATOM 0 HD12 LEU A 694 40.932 -16.947 -1.109 1.00 1.00 H new ATOM 0 HD13 LEU A 694 42.478 -17.826 -1.171 1.00 1.00 H new ATOM 0 HD21 LEU A 694 43.207 -17.472 1.793 1.00 1.00 H new ATOM 0 HD22 LEU A 694 44.314 -17.240 0.419 1.00 1.00 H new ATOM 0 HD23 LEU A 694 44.080 -15.933 1.604 1.00 1.00 H new ATOM 150 N VAL A 695 42.928 -13.309 -3.299 1.00 1.00 N ATOM 151 CA VAL A 695 43.363 -12.081 -3.954 1.00 1.00 C ATOM 152 C VAL A 695 42.150 -11.323 -4.448 1.00 1.00 C ATOM 153 O VAL A 695 42.031 -10.110 -4.270 1.00 1.00 O ATOM 154 CB VAL A 695 44.305 -12.383 -5.116 1.00 1.00 C ATOM 155 CG1 VAL A 695 44.556 -11.102 -5.910 1.00 1.00 C ATOM 156 CG2 VAL A 695 45.634 -12.895 -4.560 1.00 1.00 C ATOM 0 H VAL A 695 43.216 -14.169 -3.767 1.00 1.00 H new ATOM 0 HA VAL A 695 43.908 -11.472 -3.233 1.00 1.00 H new ATOM 0 HB VAL A 695 43.858 -13.136 -5.766 1.00 1.00 H new ATOM 0 HG11 VAL A 695 45.229 -11.315 -6.741 1.00 1.00 H new ATOM 0 HG12 VAL A 695 43.610 -10.723 -6.297 1.00 1.00 H new ATOM 0 HG13 VAL A 695 45.008 -10.353 -5.259 1.00 1.00 H new ATOM 0 HG21 VAL A 695 46.313 -13.113 -5.384 1.00 1.00 H new ATOM 0 HG22 VAL A 695 46.077 -12.134 -3.917 1.00 1.00 H new ATOM 0 HG23 VAL A 695 45.461 -13.803 -3.982 1.00 1.00 H new ATOM 166 N VAL A 696 41.239 -12.066 -5.049 1.00 1.00 N ATOM 167 CA VAL A 696 40.012 -11.492 -5.553 1.00 1.00 C ATOM 168 C VAL A 696 39.204 -10.940 -4.389 1.00 1.00 C ATOM 169 O VAL A 696 38.626 -9.859 -4.475 1.00 1.00 O ATOM 170 CB VAL A 696 39.205 -12.560 -6.285 1.00 1.00 C ATOM 171 CG1 VAL A 696 37.832 -11.999 -6.648 1.00 1.00 C ATOM 172 CG2 VAL A 696 39.948 -12.969 -7.560 1.00 1.00 C ATOM 0 H VAL A 696 41.329 -13.071 -5.199 1.00 1.00 H new ATOM 0 HA VAL A 696 40.244 -10.686 -6.249 1.00 1.00 H new ATOM 0 HB VAL A 696 39.080 -13.431 -5.642 1.00 1.00 H new ATOM 0 HG11 VAL A 696 37.254 -12.761 -7.171 1.00 1.00 H new ATOM 0 HG12 VAL A 696 37.307 -11.706 -5.739 1.00 1.00 H new ATOM 0 HG13 VAL A 696 37.953 -11.129 -7.293 1.00 1.00 H new ATOM 0 HG21 VAL A 696 39.375 -13.732 -8.086 1.00 1.00 H new ATOM 0 HG22 VAL A 696 40.071 -12.099 -8.205 1.00 1.00 H new ATOM 0 HG23 VAL A 696 40.928 -13.368 -7.298 1.00 1.00 H new ATOM 182 N LEU A 697 39.147 -11.701 -3.306 1.00 1.00 N ATOM 183 CA LEU A 697 38.381 -11.282 -2.138 1.00 1.00 C ATOM 184 C LEU A 697 38.932 -9.985 -1.546 1.00 1.00 C ATOM 185 O LEU A 697 38.169 -9.092 -1.183 1.00 1.00 O ATOM 186 CB LEU A 697 38.409 -12.390 -1.076 1.00 1.00 C ATOM 187 CG LEU A 697 37.621 -11.964 0.172 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.178 -11.620 -0.209 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.609 -13.119 1.178 1.00 1.00 C ATOM 0 H LEU A 697 39.616 -12.602 -3.210 1.00 1.00 H new ATOM 0 HA LEU A 697 37.354 -11.100 -2.454 1.00 1.00 H new ATOM 0 HB2 LEU A 697 37.983 -13.305 -1.487 1.00 1.00 H new ATOM 0 HB3 LEU A 697 39.440 -12.613 -0.803 1.00 1.00 H new ATOM 0 HG LEU A 697 38.096 -11.087 0.612 1.00 1.00 H new ATOM 0 HD11 LEU A 697 35.628 -11.319 0.683 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.177 -10.802 -0.929 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.701 -12.494 -0.652 1.00 1.00 H new ATOM 0 HD21 LEU A 697 37.051 -12.822 2.066 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.135 -13.990 0.726 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.632 -13.368 1.459 1.00 1.00 H new ATOM 201 N LEU A 698 40.251 -9.875 -1.449 1.00 1.00 N ATOM 202 CA LEU A 698 40.865 -8.671 -0.899 1.00 1.00 C ATOM 203 C LEU A 698 40.556 -7.484 -1.792 1.00 1.00 C ATOM 204 O LEU A 698 40.213 -6.401 -1.321 1.00 1.00 O ATOM 205 CB LEU A 698 42.380 -8.852 -0.780 1.00 1.00 C ATOM 206 CG LEU A 698 42.695 -9.861 0.332 1.00 1.00 C ATOM 207 CD1 LEU A 698 44.182 -10.213 0.289 1.00 1.00 C ATOM 208 CD2 LEU A 698 42.350 -9.268 1.706 1.00 1.00 C ATOM 0 H LEU A 698 40.911 -10.596 -1.740 1.00 1.00 H new ATOM 0 HA LEU A 698 40.456 -8.491 0.095 1.00 1.00 H new ATOM 0 HB2 LEU A 698 42.790 -9.201 -1.728 1.00 1.00 H new ATOM 0 HB3 LEU A 698 42.854 -7.895 -0.561 1.00 1.00 H new ATOM 0 HG LEU A 698 42.096 -10.758 0.176 1.00 1.00 H new ATOM 0 HD11 LEU A 698 44.409 -10.930 1.078 1.00 1.00 H new ATOM 0 HD12 LEU A 698 44.425 -10.650 -0.679 1.00 1.00 H new ATOM 0 HD13 LEU A 698 44.774 -9.310 0.438 1.00 1.00 H new ATOM 0 HD21 LEU A 698 42.579 -9.996 2.484 1.00 1.00 H new ATOM 0 HD22 LEU A 698 42.937 -8.364 1.870 1.00 1.00 H new ATOM 0 HD23 LEU A 698 41.289 -9.022 1.740 1.00 1.00 H new ATOM 220 N SER A 699 40.659 -7.710 -3.091 1.00 1.00 N ATOM 221 CA SER A 699 40.368 -6.673 -4.060 1.00 1.00 C ATOM 222 C SER A 699 38.904 -6.271 -3.968 1.00 1.00 C ATOM 223 O SER A 699 38.554 -5.108 -4.167 1.00 1.00 O ATOM 224 CB SER A 699 40.688 -7.187 -5.461 1.00 1.00 C ATOM 225 OG SER A 699 39.923 -8.356 -5.706 1.00 1.00 O ATOM 0 H SER A 699 40.942 -8.602 -3.496 1.00 1.00 H new ATOM 0 HA SER A 699 40.982 -5.797 -3.850 1.00 1.00 H new ATOM 0 HB2 SER A 699 40.459 -6.424 -6.204 1.00 1.00 H new ATOM 0 HB3 SER A 699 41.752 -7.407 -5.548 1.00 1.00 H new ATOM 0 HG SER A 699 39.468 -8.628 -4.882 1.00 1.00 H new ATOM 231 N VAL A 700 38.050 -7.242 -3.649 1.00 1.00 N ATOM 232 CA VAL A 700 36.621 -6.974 -3.519 1.00 1.00 C ATOM 233 C VAL A 700 36.383 -6.044 -2.343 1.00 1.00 C ATOM 234 O VAL A 700 35.627 -5.077 -2.439 1.00 1.00 O ATOM 235 CB VAL A 700 35.843 -8.277 -3.320 1.00 1.00 C ATOM 236 CG1 VAL A 700 34.384 -7.954 -2.996 1.00 1.00 C ATOM 237 CG2 VAL A 700 35.907 -9.110 -4.603 1.00 1.00 C ATOM 0 H VAL A 700 38.320 -8.211 -3.478 1.00 1.00 H new ATOM 0 HA VAL A 700 36.269 -6.500 -4.435 1.00 1.00 H new ATOM 0 HB VAL A 700 36.283 -8.841 -2.497 1.00 1.00 H new ATOM 0 HG11 VAL A 700 33.829 -8.881 -2.854 1.00 1.00 H new ATOM 0 HG12 VAL A 700 34.337 -7.360 -2.084 1.00 1.00 H new ATOM 0 HG13 VAL A 700 33.945 -7.391 -3.819 1.00 1.00 H new ATOM 0 HG21 VAL A 700 35.353 -10.038 -4.462 1.00 1.00 H new ATOM 0 HG22 VAL A 700 35.467 -8.546 -5.425 1.00 1.00 H new ATOM 0 HG23 VAL A 700 36.947 -9.340 -4.836 1.00 1.00 H new ATOM 247 N MET A 701 37.042 -6.344 -1.233 1.00 1.00 N ATOM 248 CA MET A 701 36.905 -5.528 -0.041 1.00 1.00 C ATOM 249 C MET A 701 37.434 -4.133 -0.322 1.00 1.00 C ATOM 250 O MET A 701 36.870 -3.142 0.146 1.00 1.00 O ATOM 251 CB MET A 701 37.680 -6.152 1.126 1.00 1.00 C ATOM 252 CG MET A 701 37.064 -7.504 1.515 1.00 1.00 C ATOM 253 SD MET A 701 35.354 -7.280 2.076 1.00 1.00 S ATOM 254 CE MET A 701 35.712 -6.457 3.649 1.00 1.00 C ATOM 0 H MET A 701 37.672 -7.141 -1.135 1.00 1.00 H new ATOM 0 HA MET A 701 35.851 -5.472 0.232 1.00 1.00 H new ATOM 0 HB2 MET A 701 38.725 -6.288 0.846 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.665 -5.478 1.983 1.00 1.00 H new ATOM 0 HG2 MET A 701 37.088 -8.181 0.661 1.00 1.00 H new ATOM 0 HG3 MET A 701 37.655 -7.967 2.305 1.00 1.00 H new ATOM 0 HE1 MET A 701 34.871 -6.591 4.329 1.00 1.00 H new ATOM 0 HE2 MET A 701 36.609 -6.891 4.091 1.00 1.00 H new ATOM 0 HE3 MET A 701 35.872 -5.393 3.475 1.00 1.00 H new ATOM 264 N GLY A 702 38.516 -4.055 -1.094 1.00 1.00 N ATOM 265 CA GLY A 702 39.101 -2.762 -1.434 1.00 1.00 C ATOM 266 C GLY A 702 38.121 -1.929 -2.253 1.00 1.00 C ATOM 267 O GLY A 702 37.981 -0.725 -2.041 1.00 1.00 O ATOM 0 H GLY A 702 38.999 -4.861 -1.491 1.00 1.00 H new ATOM 0 HA2 GLY A 702 39.369 -2.227 -0.523 1.00 1.00 H new ATOM 0 HA3 GLY A 702 40.021 -2.910 -1.999 1.00 1.00 H new ATOM 271 N ALA A 703 37.451 -2.582 -3.199 1.00 1.00 N ATOM 272 CA ALA A 703 36.491 -1.895 -4.054 1.00 1.00 C ATOM 273 C ALA A 703 35.325 -1.359 -3.233 1.00 1.00 C ATOM 274 O ALA A 703 34.829 -0.263 -3.486 1.00 1.00 O ATOM 275 CB ALA A 703 35.964 -2.850 -5.127 1.00 1.00 C ATOM 0 H ALA A 703 37.555 -3.578 -3.391 1.00 1.00 H new ATOM 0 HA ALA A 703 36.999 -1.057 -4.532 1.00 1.00 H new ATOM 0 HB1 ALA A 703 35.248 -2.326 -5.760 1.00 1.00 H new ATOM 0 HB2 ALA A 703 36.794 -3.206 -5.737 1.00 1.00 H new ATOM 0 HB3 ALA A 703 35.474 -3.699 -4.650 1.00 1.00 H new ATOM 281 N ILE A 704 34.890 -2.136 -2.249 1.00 1.00 N ATOM 282 CA ILE A 704 33.776 -1.712 -1.408 1.00 1.00 C ATOM 283 C ILE A 704 34.140 -0.442 -0.647 1.00 1.00 C ATOM 284 O ILE A 704 33.332 0.481 -0.548 1.00 1.00 O ATOM 285 CB ILE A 704 33.416 -2.821 -0.415 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.824 -4.011 -1.176 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.386 -2.302 0.595 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.728 -5.220 -0.243 1.00 1.00 C ATOM 0 H ILE A 704 35.283 -3.048 -2.015 1.00 1.00 H new ATOM 0 HA ILE A 704 32.917 -1.508 -2.047 1.00 1.00 H new ATOM 0 HB ILE A 704 34.315 -3.133 0.116 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.836 -3.755 -1.559 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.448 -4.252 -2.037 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.134 -3.096 1.298 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.804 -1.455 1.138 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.486 -1.986 0.067 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.307 -6.066 -0.786 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.723 -5.480 0.119 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.086 -4.976 0.604 1.00 1.00 H new ATOM 300 N LEU A 705 35.348 -0.401 -0.096 1.00 1.00 N ATOM 301 CA LEU A 705 35.778 0.766 0.664 1.00 1.00 C ATOM 302 C LEU A 705 35.817 2.010 -0.227 1.00 1.00 C ATOM 303 O LEU A 705 35.384 3.086 0.179 1.00 1.00 O ATOM 304 CB LEU A 705 37.169 0.518 1.254 1.00 1.00 C ATOM 305 CG LEU A 705 37.089 -0.567 2.338 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.502 -0.967 2.768 1.00 1.00 C ATOM 307 CD2 LEU A 705 36.315 -0.050 3.561 1.00 1.00 C ATOM 0 H LEU A 705 36.037 -1.150 -0.160 1.00 1.00 H new ATOM 0 HA LEU A 705 35.062 0.934 1.469 1.00 1.00 H new ATOM 0 HB2 LEU A 705 37.858 0.209 0.468 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.564 1.441 1.679 1.00 1.00 H new ATOM 0 HG LEU A 705 36.567 -1.431 1.928 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.444 -1.737 3.537 1.00 1.00 H new ATOM 0 HD12 LEU A 705 39.048 -1.354 1.908 1.00 1.00 H new ATOM 0 HD13 LEU A 705 39.022 -0.095 3.166 1.00 1.00 H new ATOM 0 HD21 LEU A 705 36.268 -0.832 4.319 1.00 1.00 H new ATOM 0 HD22 LEU A 705 36.823 0.823 3.971 1.00 1.00 H new ATOM 0 HD23 LEU A 705 35.304 0.226 3.262 1.00 1.00 H new ATOM 319 N LEU A 706 36.334 1.860 -1.445 1.00 1.00 N ATOM 320 CA LEU A 706 36.416 2.990 -2.371 1.00 1.00 C ATOM 321 C LEU A 706 35.021 3.513 -2.703 1.00 1.00 C ATOM 322 O LEU A 706 34.799 4.719 -2.756 1.00 1.00 O ATOM 323 CB LEU A 706 37.126 2.560 -3.660 1.00 1.00 C ATOM 324 CG LEU A 706 37.219 3.739 -4.645 1.00 1.00 C ATOM 325 CD1 LEU A 706 37.976 4.905 -3.998 1.00 1.00 C ATOM 326 CD2 LEU A 706 37.958 3.281 -5.907 1.00 1.00 C ATOM 0 H LEU A 706 36.698 0.980 -1.811 1.00 1.00 H new ATOM 0 HA LEU A 706 36.985 3.787 -1.893 1.00 1.00 H new ATOM 0 HB2 LEU A 706 38.126 2.194 -3.426 1.00 1.00 H new ATOM 0 HB3 LEU A 706 36.585 1.735 -4.122 1.00 1.00 H new ATOM 0 HG LEU A 706 36.215 4.073 -4.907 1.00 1.00 H new ATOM 0 HD11 LEU A 706 38.037 5.735 -4.702 1.00 1.00 H new ATOM 0 HD12 LEU A 706 37.448 5.228 -3.101 1.00 1.00 H new ATOM 0 HD13 LEU A 706 38.982 4.582 -3.730 1.00 1.00 H new ATOM 0 HD21 LEU A 706 38.028 4.112 -6.610 1.00 1.00 H new ATOM 0 HD22 LEU A 706 38.960 2.946 -5.640 1.00 1.00 H new ATOM 0 HD23 LEU A 706 37.412 2.459 -6.370 1.00 1.00 H new ATOM 338 N ILE A 707 34.085 2.600 -2.922 1.00 1.00 N ATOM 339 CA ILE A 707 32.719 2.994 -3.249 1.00 1.00 C ATOM 340 C ILE A 707 32.086 3.775 -2.098 1.00 1.00 C ATOM 341 O ILE A 707 31.402 4.770 -2.324 1.00 1.00 O ATOM 342 CB ILE A 707 31.871 1.757 -3.545 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.345 1.125 -4.853 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.397 2.160 -3.673 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.710 -0.256 -5.014 1.00 1.00 C ATOM 0 H ILE A 707 34.242 1.593 -2.880 1.00 1.00 H new ATOM 0 HA ILE A 707 32.756 3.633 -4.131 1.00 1.00 H new ATOM 0 HB ILE A 707 31.976 1.039 -2.732 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.074 1.761 -5.695 1.00 1.00 H new ATOM 0 HG13 ILE A 707 33.432 1.039 -4.855 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.795 1.276 -3.884 1.00 1.00 H new ATOM 0 HG22 ILE A 707 30.061 2.613 -2.740 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.285 2.878 -4.486 1.00 1.00 H new ATOM 0 HD11 ILE A 707 32.049 -0.706 -5.947 1.00 1.00 H new ATOM 0 HD12 ILE A 707 32.003 -0.891 -4.178 1.00 1.00 H new ATOM 0 HD13 ILE A 707 30.625 -0.158 -5.032 1.00 1.00 H new ATOM 357 N GLY A 708 32.300 3.307 -0.873 1.00 1.00 N ATOM 358 CA GLY A 708 31.738 3.969 0.307 1.00 1.00 C ATOM 359 C GLY A 708 32.393 5.325 0.526 1.00 1.00 C ATOM 360 O GLY A 708 31.721 6.315 0.817 1.00 1.00 O ATOM 0 H GLY A 708 32.855 2.476 -0.668 1.00 1.00 H new ATOM 0 HA2 GLY A 708 30.663 4.095 0.182 1.00 1.00 H new ATOM 0 HA3 GLY A 708 31.885 3.342 1.186 1.00 1.00 H new ATOM 364 N LEU A 709 33.709 5.358 0.373 1.00 1.00 N ATOM 365 CA LEU A 709 34.491 6.574 0.518 1.00 1.00 C ATOM 366 C LEU A 709 34.183 7.560 -0.599 1.00 1.00 C ATOM 367 O LEU A 709 34.191 8.771 -0.393 1.00 1.00 O ATOM 368 CB LEU A 709 35.984 6.243 0.504 1.00 1.00 C ATOM 369 CG LEU A 709 36.358 5.486 1.783 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.791 4.965 1.666 1.00 1.00 C ATOM 371 CD2 LEU A 709 36.254 6.415 3.001 1.00 1.00 C ATOM 0 H LEU A 709 34.266 4.535 0.143 1.00 1.00 H new ATOM 0 HA LEU A 709 34.225 7.032 1.471 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.224 5.639 -0.371 1.00 1.00 H new ATOM 0 HB3 LEU A 709 36.569 7.160 0.428 1.00 1.00 H new ATOM 0 HG LEU A 709 35.669 4.651 1.913 1.00 1.00 H new ATOM 0 HD11 LEU A 709 38.058 4.426 2.575 1.00 1.00 H new ATOM 0 HD12 LEU A 709 37.865 4.293 0.811 1.00 1.00 H new ATOM 0 HD13 LEU A 709 38.473 5.804 1.528 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.522 5.864 3.903 1.00 1.00 H new ATOM 0 HD22 LEU A 709 36.934 7.258 2.875 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.232 6.783 3.092 1.00 1.00 H new ATOM 383 N ALA A 710 33.971 7.023 -1.797 1.00 1.00 N ATOM 384 CA ALA A 710 33.725 7.857 -2.972 1.00 1.00 C ATOM 385 C ALA A 710 32.797 9.036 -2.673 1.00 1.00 C ATOM 386 O ALA A 710 33.196 10.189 -2.835 1.00 1.00 O ATOM 387 CB ALA A 710 33.137 7.017 -4.108 1.00 1.00 C ATOM 0 H ALA A 710 33.964 6.020 -1.981 1.00 1.00 H new ATOM 0 HA ALA A 710 34.689 8.266 -3.273 1.00 1.00 H new ATOM 0 HB1 ALA A 710 32.959 7.652 -4.976 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.837 6.225 -4.375 1.00 1.00 H new ATOM 0 HB3 ALA A 710 32.195 6.574 -3.783 1.00 1.00 H new ATOM 393 N PRO A 711 31.577 8.789 -2.266 1.00 1.00 N ATOM 394 CA PRO A 711 30.610 9.885 -1.975 1.00 1.00 C ATOM 395 C PRO A 711 31.060 10.778 -0.825 1.00 1.00 C ATOM 396 O PRO A 711 30.817 11.982 -0.838 1.00 1.00 O ATOM 397 CB PRO A 711 29.309 9.156 -1.626 1.00 1.00 C ATOM 398 CG PRO A 711 29.716 7.774 -1.243 1.00 1.00 C ATOM 399 CD PRO A 711 30.989 7.467 -2.027 1.00 1.00 C ATOM 0 HA PRO A 711 30.508 10.560 -2.825 1.00 1.00 H new ATOM 0 HB2 PRO A 711 28.789 9.653 -0.807 1.00 1.00 H new ATOM 0 HB3 PRO A 711 28.627 9.143 -2.476 1.00 1.00 H new ATOM 0 HG2 PRO A 711 29.895 7.705 -0.170 1.00 1.00 H new ATOM 0 HG3 PRO A 711 28.930 7.057 -1.482 1.00 1.00 H new ATOM 0 HD2 PRO A 711 31.663 6.825 -1.460 1.00 1.00 H new ATOM 0 HD3 PRO A 711 30.769 6.952 -2.962 1.00 1.00 H new ATOM 407 N LEU A 712 31.753 10.196 0.150 1.00 1.00 N ATOM 408 CA LEU A 712 32.257 10.979 1.258 1.00 1.00 C ATOM 409 C LEU A 712 33.311 11.936 0.743 1.00 1.00 C ATOM 410 O LEU A 712 33.322 13.114 1.094 1.00 1.00 O ATOM 411 CB LEU A 712 32.862 10.063 2.324 1.00 1.00 C ATOM 412 CG LEU A 712 31.748 9.254 2.999 1.00 1.00 C ATOM 413 CD1 LEU A 712 32.364 8.184 3.903 1.00 1.00 C ATOM 414 CD2 LEU A 712 30.855 10.177 3.839 1.00 1.00 C ATOM 0 H LEU A 712 31.972 9.201 0.190 1.00 1.00 H new ATOM 0 HA LEU A 712 31.437 11.539 1.709 1.00 1.00 H new ATOM 0 HB2 LEU A 712 33.590 9.390 1.870 1.00 1.00 H new ATOM 0 HB3 LEU A 712 33.396 10.656 3.067 1.00 1.00 H new ATOM 0 HG LEU A 712 31.143 8.779 2.227 1.00 1.00 H new ATOM 0 HD11 LEU A 712 31.570 7.611 4.381 1.00 1.00 H new ATOM 0 HD12 LEU A 712 32.984 7.516 3.306 1.00 1.00 H new ATOM 0 HD13 LEU A 712 32.977 8.662 4.667 1.00 1.00 H new ATOM 0 HD21 LEU A 712 30.068 9.590 4.313 1.00 1.00 H new ATOM 0 HD22 LEU A 712 31.456 10.665 4.607 1.00 1.00 H new ATOM 0 HD23 LEU A 712 30.406 10.933 3.195 1.00 1.00 H new ATOM 426 N LEU A 713 34.188 11.424 -0.118 1.00 1.00 N ATOM 427 CA LEU A 713 35.228 12.254 -0.695 1.00 1.00 C ATOM 428 C LEU A 713 34.610 13.327 -1.575 1.00 1.00 C ATOM 429 O LEU A 713 34.994 14.493 -1.513 1.00 1.00 O ATOM 430 CB LEU A 713 36.186 11.395 -1.526 1.00 1.00 C ATOM 431 CG LEU A 713 36.998 10.483 -0.599 1.00 1.00 C ATOM 432 CD1 LEU A 713 37.781 9.474 -1.440 1.00 1.00 C ATOM 433 CD2 LEU A 713 37.978 11.313 0.245 1.00 1.00 C ATOM 0 H LEU A 713 34.196 10.451 -0.425 1.00 1.00 H new ATOM 0 HA LEU A 713 35.784 12.730 0.113 1.00 1.00 H new ATOM 0 HB2 LEU A 713 35.624 10.795 -2.242 1.00 1.00 H new ATOM 0 HB3 LEU A 713 36.856 12.033 -2.102 1.00 1.00 H new ATOM 0 HG LEU A 713 36.314 9.959 0.069 1.00 1.00 H new ATOM 0 HD11 LEU A 713 38.359 8.824 -0.783 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.086 8.872 -2.026 1.00 1.00 H new ATOM 0 HD13 LEU A 713 38.456 10.006 -2.111 1.00 1.00 H new ATOM 0 HD21 LEU A 713 38.547 10.651 0.898 1.00 1.00 H new ATOM 0 HD22 LEU A 713 38.662 11.849 -0.413 1.00 1.00 H new ATOM 0 HD23 LEU A 713 37.421 12.029 0.850 1.00 1.00 H new ATOM 445 N ILE A 714 33.630 12.926 -2.386 1.00 1.00 N ATOM 446 CA ILE A 714 32.958 13.876 -3.259 1.00 1.00 C ATOM 447 C ILE A 714 32.202 14.898 -2.429 1.00 1.00 C ATOM 448 O ILE A 714 32.285 16.097 -2.681 1.00 1.00 O ATOM 449 CB ILE A 714 31.984 13.141 -4.183 1.00 1.00 C ATOM 450 CG1 ILE A 714 32.772 12.274 -5.169 1.00 1.00 C ATOM 451 CG2 ILE A 714 31.146 14.161 -4.957 1.00 1.00 C ATOM 452 CD1 ILE A 714 31.813 11.332 -5.899 1.00 1.00 C ATOM 0 H ILE A 714 33.292 11.966 -2.453 1.00 1.00 H new ATOM 0 HA ILE A 714 33.706 14.388 -3.864 1.00 1.00 H new ATOM 0 HB ILE A 714 31.326 12.508 -3.588 1.00 1.00 H new ATOM 0 HG12 ILE A 714 33.295 12.905 -5.887 1.00 1.00 H new ATOM 0 HG13 ILE A 714 33.530 11.698 -4.638 1.00 1.00 H new ATOM 0 HG21 ILE A 714 30.452 13.638 -5.615 1.00 1.00 H new ATOM 0 HG22 ILE A 714 30.585 14.778 -4.255 1.00 1.00 H new ATOM 0 HG23 ILE A 714 31.803 14.795 -5.553 1.00 1.00 H new ATOM 0 HD11 ILE A 714 32.373 10.715 -6.601 1.00 1.00 H new ATOM 0 HD12 ILE A 714 31.310 10.692 -5.174 1.00 1.00 H new ATOM 0 HD13 ILE A 714 31.071 11.917 -6.443 1.00 1.00 H new ATOM 464 N TRP A 715 31.486 14.422 -1.412 1.00 1.00 N ATOM 465 CA TRP A 715 30.748 15.321 -0.544 1.00 1.00 C ATOM 466 C TRP A 715 31.725 16.221 0.186 1.00 1.00 C ATOM 467 O TRP A 715 31.540 17.433 0.256 1.00 1.00 O ATOM 468 CB TRP A 715 29.925 14.517 0.465 1.00 1.00 C ATOM 469 CG TRP A 715 29.145 15.450 1.335 1.00 1.00 C ATOM 470 CD1 TRP A 715 29.406 15.697 2.640 1.00 1.00 C ATOM 471 CD2 TRP A 715 27.984 16.261 0.990 1.00 1.00 C ATOM 472 NE1 TRP A 715 28.478 16.605 3.117 1.00 1.00 N ATOM 473 CE2 TRP A 715 27.581 16.983 2.137 1.00 1.00 C ATOM 474 CE3 TRP A 715 27.248 16.437 -0.197 1.00 1.00 C ATOM 475 CZ2 TRP A 715 26.489 17.850 2.110 1.00 1.00 C ATOM 476 CZ3 TRP A 715 26.148 17.309 -0.228 1.00 1.00 C ATOM 477 CH2 TRP A 715 25.769 18.014 0.923 1.00 1.00 C ATOM 0 H TRP A 715 31.405 13.433 -1.175 1.00 1.00 H new ATOM 0 HA TRP A 715 30.069 15.929 -1.143 1.00 1.00 H new ATOM 0 HB2 TRP A 715 29.249 13.841 -0.059 1.00 1.00 H new ATOM 0 HB3 TRP A 715 30.583 13.899 1.076 1.00 1.00 H new ATOM 0 HD1 TRP A 715 30.208 15.257 3.215 1.00 1.00 H new ATOM 0 HE1 TRP A 715 28.458 16.953 4.076 1.00 1.00 H new ATOM 0 HE3 TRP A 715 27.531 15.898 -1.089 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 26.202 18.391 3.000 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 25.590 17.437 -1.144 1.00 1.00 H new ATOM 0 HH2 TRP A 715 24.922 18.683 0.893 1.00 1.00 H new ATOM 488 N ALA A 716 32.776 15.614 0.724 1.00 1.00 N ATOM 489 CA ALA A 716 33.780 16.372 1.446 1.00 1.00 C ATOM 490 C ALA A 716 34.413 17.399 0.521 1.00 1.00 C ATOM 491 O ALA A 716 34.675 18.527 0.924 1.00 1.00 O ATOM 492 CB ALA A 716 34.859 15.433 1.989 1.00 1.00 C ATOM 0 H ALA A 716 32.951 14.610 0.673 1.00 1.00 H new ATOM 0 HA ALA A 716 33.303 16.884 2.281 1.00 1.00 H new ATOM 0 HB1 ALA A 716 35.608 16.013 2.529 1.00 1.00 H new ATOM 0 HB2 ALA A 716 34.404 14.708 2.664 1.00 1.00 H new ATOM 0 HB3 ALA A 716 35.335 14.908 1.161 1.00 1.00 H new ATOM 498 N LEU A 717 34.652 17.003 -0.726 1.00 1.00 N ATOM 499 CA LEU A 717 35.248 17.901 -1.694 1.00 1.00 C ATOM 500 C LEU A 717 34.320 19.082 -1.947 1.00 1.00 C ATOM 501 O LEU A 717 34.756 20.231 -1.929 1.00 1.00 O ATOM 502 CB LEU A 717 35.499 17.144 -3.005 1.00 1.00 C ATOM 503 CG LEU A 717 36.189 18.055 -4.029 1.00 1.00 C ATOM 504 CD1 LEU A 717 37.558 18.494 -3.501 1.00 1.00 C ATOM 505 CD2 LEU A 717 36.375 17.288 -5.340 1.00 1.00 C ATOM 0 H LEU A 717 34.442 16.071 -1.083 1.00 1.00 H new ATOM 0 HA LEU A 717 36.195 18.274 -1.305 1.00 1.00 H new ATOM 0 HB2 LEU A 717 36.119 16.268 -2.813 1.00 1.00 H new ATOM 0 HB3 LEU A 717 34.554 16.783 -3.410 1.00 1.00 H new ATOM 0 HG LEU A 717 35.572 18.937 -4.199 1.00 1.00 H new ATOM 0 HD11 LEU A 717 38.041 19.140 -4.234 1.00 1.00 H new ATOM 0 HD12 LEU A 717 37.430 19.039 -2.566 1.00 1.00 H new ATOM 0 HD13 LEU A 717 38.179 17.616 -3.327 1.00 1.00 H new ATOM 0 HD21 LEU A 717 36.865 17.931 -6.071 1.00 1.00 H new ATOM 0 HD22 LEU A 717 36.991 16.406 -5.162 1.00 1.00 H new ATOM 0 HD23 LEU A 717 35.402 16.980 -5.722 1.00 1.00 H new ATOM 517 N LEU A 718 33.027 18.799 -2.151 1.00 1.00 N ATOM 518 CA LEU A 718 32.067 19.874 -2.367 1.00 1.00 C ATOM 519 C LEU A 718 31.955 20.737 -1.117 1.00 1.00 C ATOM 520 O LEU A 718 31.979 21.964 -1.195 1.00 1.00 O ATOM 521 CB LEU A 718 30.676 19.323 -2.736 1.00 1.00 C ATOM 522 CG LEU A 718 30.564 19.045 -4.249 1.00 1.00 C ATOM 523 CD1 LEU A 718 31.403 17.832 -4.657 1.00 1.00 C ATOM 524 CD2 LEU A 718 29.099 18.773 -4.593 1.00 1.00 C ATOM 0 H LEU A 718 32.634 17.858 -2.170 1.00 1.00 H new ATOM 0 HA LEU A 718 32.429 20.477 -3.199 1.00 1.00 H new ATOM 0 HB2 LEU A 718 30.488 18.404 -2.181 1.00 1.00 H new ATOM 0 HB3 LEU A 718 29.909 20.038 -2.438 1.00 1.00 H new ATOM 0 HG LEU A 718 30.936 19.916 -4.788 1.00 1.00 H new ATOM 0 HD11 LEU A 718 31.302 17.664 -5.729 1.00 1.00 H new ATOM 0 HD12 LEU A 718 32.450 18.016 -4.416 1.00 1.00 H new ATOM 0 HD13 LEU A 718 31.056 16.951 -4.117 1.00 1.00 H new ATOM 0 HD21 LEU A 718 29.007 18.575 -5.661 1.00 1.00 H new ATOM 0 HD22 LEU A 718 28.748 17.907 -4.032 1.00 1.00 H new ATOM 0 HD23 LEU A 718 28.496 19.643 -4.332 1.00 1.00 H new ATOM 536 N ILE A 719 31.859 20.087 0.043 1.00 1.00 N ATOM 537 CA ILE A 719 31.774 20.805 1.310 1.00 1.00 C ATOM 538 C ILE A 719 33.073 21.531 1.560 1.00 1.00 C ATOM 539 O ILE A 719 33.088 22.703 1.931 1.00 1.00 O ATOM 540 CB ILE A 719 31.485 19.837 2.464 1.00 1.00 C ATOM 541 CG1 ILE A 719 30.065 19.250 2.328 1.00 1.00 C ATOM 542 CG2 ILE A 719 31.634 20.562 3.805 1.00 1.00 C ATOM 543 CD1 ILE A 719 28.991 20.351 2.382 1.00 1.00 C ATOM 0 H ILE A 719 31.838 19.071 0.129 1.00 1.00 H new ATOM 0 HA ILE A 719 30.956 21.524 1.255 1.00 1.00 H new ATOM 0 HB ILE A 719 32.203 19.018 2.425 1.00 1.00 H new ATOM 0 HG12 ILE A 719 29.984 18.707 1.386 1.00 1.00 H new ATOM 0 HG13 ILE A 719 29.890 18.530 3.127 1.00 1.00 H new ATOM 0 HG21 ILE A 719 31.427 19.867 4.619 1.00 1.00 H new ATOM 0 HG22 ILE A 719 32.651 20.942 3.902 1.00 1.00 H new ATOM 0 HG23 ILE A 719 30.930 21.393 3.849 1.00 1.00 H new ATOM 0 HD11 ILE A 719 28.003 19.901 2.283 1.00 1.00 H new ATOM 0 HD12 ILE A 719 29.056 20.877 3.335 1.00 1.00 H new ATOM 0 HD13 ILE A 719 29.152 21.056 1.567 1.00 1.00 H new ATOM 555 N THR A 720 34.172 20.829 1.316 1.00 1.00 N ATOM 556 CA THR A 720 35.481 21.428 1.481 1.00 1.00 C ATOM 557 C THR A 720 35.607 22.578 0.499 1.00 1.00 C ATOM 558 O THR A 720 36.087 23.657 0.842 1.00 1.00 O ATOM 559 CB THR A 720 36.583 20.396 1.227 1.00 1.00 C ATOM 560 OG1 THR A 720 36.489 19.357 2.190 1.00 1.00 O ATOM 561 CG2 THR A 720 37.952 21.070 1.339 1.00 1.00 C ATOM 0 H THR A 720 34.180 19.857 1.007 1.00 1.00 H new ATOM 0 HA THR A 720 35.592 21.791 2.503 1.00 1.00 H new ATOM 0 HB THR A 720 36.464 19.979 0.227 1.00 1.00 H new ATOM 0 HG1 THR A 720 35.840 18.688 1.887 1.00 1.00 H new ATOM 0 HG21 THR A 720 38.736 20.334 1.158 1.00 1.00 H new ATOM 0 HG22 THR A 720 38.026 21.868 0.600 1.00 1.00 H new ATOM 0 HG23 THR A 720 38.071 21.488 2.338 1.00 1.00 H new ATOM 569 N ILE A 721 35.170 22.334 -0.733 1.00 1.00 N ATOM 570 CA ILE A 721 35.241 23.373 -1.765 1.00 1.00 C ATOM 571 C ILE A 721 34.342 24.557 -1.406 1.00 1.00 C ATOM 572 O ILE A 721 34.723 25.719 -1.556 1.00 1.00 O ATOM 573 CB ILE A 721 34.823 22.810 -3.126 1.00 1.00 C ATOM 574 CG1 ILE A 721 35.988 22.019 -3.733 1.00 1.00 C ATOM 575 CG2 ILE A 721 34.442 23.959 -4.066 1.00 1.00 C ATOM 576 CD1 ILE A 721 36.917 22.951 -4.520 1.00 1.00 C ATOM 0 H ILE A 721 34.771 21.447 -1.041 1.00 1.00 H new ATOM 0 HA ILE A 721 36.274 23.716 -1.821 1.00 1.00 H new ATOM 0 HB ILE A 721 33.964 22.151 -2.994 1.00 1.00 H new ATOM 0 HG12 ILE A 721 36.548 21.521 -2.942 1.00 1.00 H new ATOM 0 HG13 ILE A 721 35.603 21.240 -4.391 1.00 1.00 H new ATOM 0 HG21 ILE A 721 34.145 23.554 -5.034 1.00 1.00 H new ATOM 0 HG22 ILE A 721 33.612 24.520 -3.637 1.00 1.00 H new ATOM 0 HG23 ILE A 721 35.298 24.621 -4.197 1.00 1.00 H new ATOM 0 HD11 ILE A 721 37.738 22.373 -4.944 1.00 1.00 H new ATOM 0 HD12 ILE A 721 36.357 23.429 -5.324 1.00 1.00 H new ATOM 0 HD13 ILE A 721 37.317 23.714 -3.853 1.00 1.00 H new ATOM 588 N HIS A 722 33.138 24.238 -0.942 1.00 1.00 N ATOM 589 CA HIS A 722 32.166 25.264 -0.573 1.00 1.00 C ATOM 590 C HIS A 722 32.668 26.098 0.604 1.00 1.00 C ATOM 591 O HIS A 722 32.389 27.296 0.670 1.00 1.00 O ATOM 592 CB HIS A 722 30.835 24.611 -0.196 1.00 1.00 C ATOM 593 CG HIS A 722 29.950 24.539 -1.410 1.00 1.00 C ATOM 594 ND1 HIS A 722 30.041 23.505 -2.329 1.00 1.00 N ATOM 595 CD2 HIS A 722 28.954 25.364 -1.869 1.00 1.00 C ATOM 596 CE1 HIS A 722 29.123 23.733 -3.286 1.00 1.00 C ATOM 597 NE2 HIS A 722 28.434 24.852 -3.054 1.00 1.00 N ATOM 0 H HIS A 722 32.812 23.280 -0.812 1.00 1.00 H new ATOM 0 HA HIS A 722 32.027 25.920 -1.432 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.008 23.611 0.201 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.346 25.186 0.590 1.00 1.00 H new ATOM 0 HD1 HIS A 722 30.686 22.716 -2.287 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.624 26.271 -1.385 1.00 1.00 H new ATOM 0 HE1 HIS A 722 28.963 23.089 -4.138 1.00 1.00 H new ATOM 605 N ASP A 723 33.381 25.442 1.531 1.00 1.00 N ATOM 606 CA ASP A 723 33.919 26.088 2.742 1.00 1.00 C ATOM 607 C ASP A 723 33.764 27.607 2.721 1.00 1.00 C ATOM 608 O ASP A 723 32.945 28.168 3.447 1.00 1.00 O ATOM 609 CB ASP A 723 35.399 25.737 2.902 1.00 1.00 C ATOM 610 CG ASP A 723 35.554 24.279 3.326 1.00 1.00 C ATOM 611 OD1 ASP A 723 34.567 23.691 3.735 1.00 1.00 O ATOM 612 OD2 ASP A 723 36.659 23.771 3.234 1.00 1.00 O ATOM 0 H ASP A 723 33.602 24.448 1.464 1.00 1.00 H new ATOM 0 HA ASP A 723 33.341 25.711 3.585 1.00 1.00 H new ATOM 0 HB2 ASP A 723 35.924 25.907 1.962 1.00 1.00 H new ATOM 0 HB3 ASP A 723 35.856 26.390 3.645 1.00 1.00 H new ATOM 617 N ARG A 724 34.559 28.264 1.881 1.00 1.00 N ATOM 618 CA ARG A 724 34.506 29.716 1.770 1.00 1.00 C ATOM 619 C ARG A 724 33.323 30.147 0.907 1.00 1.00 C ATOM 620 O ARG A 724 32.972 29.473 -0.060 1.00 1.00 O ATOM 621 CB ARG A 724 35.805 30.243 1.156 1.00 1.00 C ATOM 622 CG ARG A 724 36.974 29.940 2.097 1.00 1.00 C ATOM 623 CD ARG A 724 38.285 30.372 1.438 1.00 1.00 C ATOM 624 NE ARG A 724 38.307 31.819 1.259 1.00 1.00 N ATOM 625 CZ ARG A 724 39.305 32.417 0.617 1.00 1.00 C ATOM 626 NH1 ARG A 724 40.288 31.708 0.133 1.00 1.00 N ATOM 627 NH2 ARG A 724 39.301 33.714 0.470 1.00 1.00 N ATOM 0 H ARG A 724 35.243 27.816 1.271 1.00 1.00 H new ATOM 0 HA ARG A 724 34.382 30.131 2.770 1.00 1.00 H new ATOM 0 HB2 ARG A 724 35.976 29.778 0.185 1.00 1.00 H new ATOM 0 HB3 ARG A 724 35.730 31.317 0.986 1.00 1.00 H new ATOM 0 HG2 ARG A 724 36.839 30.466 3.042 1.00 1.00 H new ATOM 0 HG3 ARG A 724 37.004 28.875 2.326 1.00 1.00 H new ATOM 0 HD2 ARG A 724 39.129 30.062 2.054 1.00 1.00 H new ATOM 0 HD3 ARG A 724 38.395 29.877 0.473 1.00 1.00 H new ATOM 0 HE ARG A 724 37.543 32.382 1.633 1.00 1.00 H new ATOM 0 HH11 ARG A 724 40.290 30.694 0.247 1.00 1.00 H new ATOM 0 HH12 ARG A 724 41.054 32.167 -0.360 1.00 1.00 H new ATOM 0 HH21 ARG A 724 38.532 34.268 0.848 1.00 1.00 H new ATOM 0 HH22 ARG A 724 40.067 34.174 -0.023 1.00 1.00 H new ATOM 641 N LYS A 725 32.715 31.275 1.268 1.00 1.00 N ATOM 642 CA LYS A 725 31.572 31.795 0.523 1.00 1.00 C ATOM 643 C LYS A 725 31.939 33.097 -0.180 1.00 1.00 C ATOM 644 O LYS A 725 32.725 33.892 0.337 1.00 1.00 O ATOM 645 CB LYS A 725 30.398 32.040 1.473 1.00 1.00 C ATOM 646 CG LYS A 725 29.895 30.703 2.021 1.00 1.00 C ATOM 647 CD LYS A 725 28.722 30.950 2.972 1.00 1.00 C ATOM 648 CE LYS A 725 28.165 29.609 3.455 1.00 1.00 C ATOM 649 NZ LYS A 725 29.212 28.887 4.231 1.00 1.00 N ATOM 0 H LYS A 725 32.993 31.844 2.068 1.00 1.00 H new ATOM 0 HA LYS A 725 31.285 31.058 -0.227 1.00 1.00 H new ATOM 0 HB2 LYS A 725 30.709 32.687 2.293 1.00 1.00 H new ATOM 0 HB3 LYS A 725 29.594 32.555 0.948 1.00 1.00 H new ATOM 0 HG2 LYS A 725 29.582 30.056 1.201 1.00 1.00 H new ATOM 0 HG3 LYS A 725 30.699 30.187 2.545 1.00 1.00 H new ATOM 0 HD2 LYS A 725 29.049 31.547 3.823 1.00 1.00 H new ATOM 0 HD3 LYS A 725 27.942 31.518 2.465 1.00 1.00 H new ATOM 0 HE2 LYS A 725 27.284 29.771 4.076 1.00 1.00 H new ATOM 0 HE3 LYS A 725 27.848 29.007 2.604 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 28.767 28.144 4.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 29.894 28.455 3.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 29.707 29.557 4.853 1.00 1.00 H new ATOM 663 N GLU A 726 31.366 33.309 -1.361 1.00 1.00 N ATOM 664 CA GLU A 726 31.641 34.518 -2.128 1.00 1.00 C ATOM 665 C GLU A 726 33.139 34.808 -2.155 1.00 1.00 C ATOM 666 O GLU A 726 33.852 34.351 -3.049 1.00 1.00 O ATOM 667 CB GLU A 726 30.901 35.707 -1.512 1.00 1.00 C ATOM 668 CG GLU A 726 29.394 35.523 -1.699 1.00 1.00 C ATOM 669 CD GLU A 726 28.640 36.658 -1.012 1.00 1.00 C ATOM 670 OE1 GLU A 726 29.294 37.525 -0.456 1.00 1.00 O ATOM 671 OE2 GLU A 726 27.422 36.644 -1.053 1.00 1.00 O ATOM 0 H GLU A 726 30.713 32.664 -1.805 1.00 1.00 H new ATOM 0 HA GLU A 726 31.294 34.363 -3.150 1.00 1.00 H new ATOM 0 HB2 GLU A 726 31.139 35.787 -0.451 1.00 1.00 H new ATOM 0 HB3 GLU A 726 31.226 36.635 -1.983 1.00 1.00 H new ATOM 0 HG2 GLU A 726 29.151 35.505 -2.761 1.00 1.00 H new ATOM 0 HG3 GLU A 726 29.082 34.565 -1.284 1.00 1.00 H new ATOM 678 N PHE A 727 33.608 35.568 -1.172 1.00 1.00 N ATOM 679 CA PHE A 727 35.024 35.912 -1.094 1.00 1.00 C ATOM 680 C PHE A 727 35.398 36.324 0.327 1.00 1.00 C ATOM 681 O PHE A 727 35.670 35.443 1.126 1.00 1.00 O ATOM 682 CB PHE A 727 35.339 37.055 -2.058 1.00 1.00 C ATOM 683 CG PHE A 727 35.184 36.572 -3.481 1.00 1.00 C ATOM 684 CD1 PHE A 727 36.250 35.930 -4.122 1.00 1.00 C ATOM 685 CD2 PHE A 727 33.974 36.766 -4.157 1.00 1.00 C ATOM 686 CE1 PHE A 727 36.105 35.480 -5.440 1.00 1.00 C ATOM 687 CE2 PHE A 727 33.830 36.317 -5.476 1.00 1.00 C ATOM 688 CZ PHE A 727 34.895 35.674 -6.118 1.00 1.00 C ATOM 689 OXT PHE A 727 35.405 37.514 0.594 1.00 1.00 O ATOM 0 H PHE A 727 33.034 35.955 -0.423 1.00 1.00 H new ATOM 0 HA PHE A 727 35.607 35.034 -1.371 1.00 1.00 H new ATOM 0 HB2 PHE A 727 34.670 37.895 -1.873 1.00 1.00 H new ATOM 0 HB3 PHE A 727 36.355 37.414 -1.893 1.00 1.00 H new ATOM 0 HD1 PHE A 727 37.184 35.782 -3.600 1.00 1.00 H new ATOM 0 HD2 PHE A 727 33.152 37.262 -3.662 1.00 1.00 H new ATOM 0 HE1 PHE A 727 36.927 34.983 -5.934 1.00 1.00 H new ATOM 0 HE2 PHE A 727 32.897 36.467 -5.998 1.00 1.00 H new ATOM 0 HZ PHE A 727 34.784 35.328 -7.135 1.00 1.00 H new TER 699 PHE A 727