USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 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 61:sc= 0.0804 USER MOD Single : A 689 LYS NZ :NH3+ -163:sc= -0.0691 (180deg=-0.469) USER MOD Single : A 699 SER OG : rot -7:sc= -0.452 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.168 (180deg=-1.06) USER MOD Single : A 720 THR OG1 : rot 65:sc= 0.864 USER MOD Single : A 722 HIS : no HE2:sc= 1.02 K(o=1,f=-4.3!) USER MOD Single : A 725 LYS NZ :NH3+ 162:sc= -0.0306 (180deg=-0.451) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 61.418 -8.509 -6.531 1.00 1.00 N ATOM 2 CA PRO A 685 60.127 -7.956 -7.008 1.00 1.00 C ATOM 3 C PRO A 685 58.991 -8.490 -6.142 1.00 1.00 C ATOM 4 O PRO A 685 59.222 -9.240 -5.193 1.00 1.00 O ATOM 5 CB PRO A 685 59.930 -8.383 -8.459 1.00 1.00 C ATOM 6 CG PRO A 685 61.251 -8.946 -8.880 1.00 1.00 C ATOM 7 CD PRO A 685 61.996 -9.367 -7.603 1.00 1.00 C ATOM 0 HA PRO A 685 60.131 -6.868 -6.941 1.00 1.00 H new ATOM 0 HB2 PRO A 685 59.138 -9.127 -8.547 1.00 1.00 H new ATOM 0 HB3 PRO A 685 59.644 -7.537 -9.084 1.00 1.00 H new ATOM 0 HG2 PRO A 685 61.111 -9.800 -9.543 1.00 1.00 H new ATOM 0 HG3 PRO A 685 61.826 -8.204 -9.434 1.00 1.00 H new ATOM 0 HD2 PRO A 685 61.847 -10.425 -7.388 1.00 1.00 H new ATOM 0 HD3 PRO A 685 63.070 -9.210 -7.701 1.00 1.00 H new ATOM 17 N GLU A 686 57.764 -8.097 -6.477 1.00 1.00 N ATOM 18 CA GLU A 686 56.591 -8.537 -5.726 1.00 1.00 C ATOM 19 C GLU A 686 55.704 -9.420 -6.599 1.00 1.00 C ATOM 20 O GLU A 686 55.303 -9.025 -7.694 1.00 1.00 O ATOM 21 CB GLU A 686 55.797 -7.320 -5.246 1.00 1.00 C ATOM 22 CG GLU A 686 54.612 -7.777 -4.390 1.00 1.00 C ATOM 23 CD GLU A 686 53.849 -6.566 -3.866 1.00 1.00 C ATOM 24 OE1 GLU A 686 54.391 -5.475 -3.934 1.00 1.00 O ATOM 25 OE2 GLU A 686 52.735 -6.746 -3.405 1.00 1.00 O ATOM 0 H GLU A 686 57.557 -7.477 -7.260 1.00 1.00 H new ATOM 0 HA GLU A 686 56.923 -9.115 -4.863 1.00 1.00 H new ATOM 0 HB2 GLU A 686 56.442 -6.659 -4.667 1.00 1.00 H new ATOM 0 HB3 GLU A 686 55.440 -6.747 -6.102 1.00 1.00 H new ATOM 0 HG2 GLU A 686 53.948 -8.408 -4.981 1.00 1.00 H new ATOM 0 HG3 GLU A 686 54.967 -8.382 -3.556 1.00 1.00 H new ATOM 32 N SER A 687 55.401 -10.618 -6.107 1.00 1.00 N ATOM 33 CA SER A 687 54.560 -11.547 -6.852 1.00 1.00 C ATOM 34 C SER A 687 54.311 -12.815 -6.040 1.00 1.00 C ATOM 35 O SER A 687 54.861 -13.875 -6.338 1.00 1.00 O ATOM 36 CB SER A 687 55.231 -11.912 -8.176 1.00 1.00 C ATOM 37 OG SER A 687 56.600 -12.215 -7.941 1.00 1.00 O ATOM 0 H SER A 687 55.722 -10.965 -5.203 1.00 1.00 H new ATOM 0 HA SER A 687 53.604 -11.062 -7.050 1.00 1.00 H new ATOM 0 HB2 SER A 687 54.729 -12.768 -8.627 1.00 1.00 H new ATOM 0 HB3 SER A 687 55.145 -11.085 -8.881 1.00 1.00 H new ATOM 0 HG SER A 687 56.666 -12.983 -7.336 1.00 1.00 H new ATOM 43 N PRO A 688 53.495 -12.718 -5.026 1.00 1.00 N ATOM 44 CA PRO A 688 53.157 -13.874 -4.142 1.00 1.00 C ATOM 45 C PRO A 688 52.473 -15.001 -4.912 1.00 1.00 C ATOM 46 O PRO A 688 51.710 -14.752 -5.846 1.00 1.00 O ATOM 47 CB PRO A 688 52.209 -13.282 -3.091 1.00 1.00 C ATOM 48 CG PRO A 688 52.370 -11.800 -3.179 1.00 1.00 C ATOM 49 CD PRO A 688 52.808 -11.491 -4.608 1.00 1.00 C ATOM 0 HA PRO A 688 54.050 -14.322 -3.705 1.00 1.00 H new ATOM 0 HB2 PRO A 688 51.178 -13.575 -3.287 1.00 1.00 H new ATOM 0 HB3 PRO A 688 52.458 -13.643 -2.093 1.00 1.00 H new ATOM 0 HG2 PRO A 688 51.434 -11.294 -2.943 1.00 1.00 H new ATOM 0 HG3 PRO A 688 53.112 -11.448 -2.462 1.00 1.00 H new ATOM 0 HD2 PRO A 688 51.956 -11.269 -5.250 1.00 1.00 H new ATOM 0 HD3 PRO A 688 53.470 -10.626 -4.647 1.00 1.00 H new ATOM 57 N LYS A 689 52.750 -16.238 -4.509 1.00 1.00 N ATOM 58 CA LYS A 689 52.159 -17.402 -5.163 1.00 1.00 C ATOM 59 C LYS A 689 51.163 -18.087 -4.231 1.00 1.00 C ATOM 60 O LYS A 689 51.350 -18.108 -3.014 1.00 1.00 O ATOM 61 CB LYS A 689 53.255 -18.392 -5.559 1.00 1.00 C ATOM 62 CG LYS A 689 54.158 -17.755 -6.618 1.00 1.00 C ATOM 63 CD LYS A 689 55.276 -18.731 -6.990 1.00 1.00 C ATOM 64 CE LYS A 689 56.232 -18.059 -7.977 1.00 1.00 C ATOM 65 NZ LYS A 689 55.489 -17.687 -9.213 1.00 1.00 N ATOM 0 H LYS A 689 53.377 -16.460 -3.736 1.00 1.00 H new ATOM 0 HA LYS A 689 51.634 -17.067 -6.058 1.00 1.00 H new ATOM 0 HB2 LYS A 689 53.843 -18.670 -4.684 1.00 1.00 H new ATOM 0 HB3 LYS A 689 52.810 -19.308 -5.948 1.00 1.00 H new ATOM 0 HG2 LYS A 689 53.575 -17.500 -7.503 1.00 1.00 H new ATOM 0 HG3 LYS A 689 54.583 -16.826 -6.238 1.00 1.00 H new ATOM 0 HD2 LYS A 689 55.817 -19.039 -6.095 1.00 1.00 H new ATOM 0 HD3 LYS A 689 54.854 -19.633 -7.433 1.00 1.00 H new ATOM 0 HE2 LYS A 689 56.674 -17.171 -7.525 1.00 1.00 H new ATOM 0 HE3 LYS A 689 57.052 -18.734 -8.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 56.165 -17.502 -9.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 54.858 -18.467 -9.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 54.925 -16.832 -9.035 1.00 1.00 H new ATOM 79 N GLY A 690 50.104 -18.644 -4.811 1.00 1.00 N ATOM 80 CA GLY A 690 49.083 -19.323 -4.021 1.00 1.00 C ATOM 81 C GLY A 690 47.701 -19.118 -4.637 1.00 1.00 C ATOM 82 O GLY A 690 47.583 -18.775 -5.813 1.00 1.00 O ATOM 0 H GLY A 690 49.931 -18.639 -5.816 1.00 1.00 H new ATOM 0 HA2 GLY A 690 49.308 -20.388 -3.965 1.00 1.00 H new ATOM 0 HA3 GLY A 690 49.092 -18.941 -3.000 1.00 1.00 H new ATOM 86 N PRO A 691 46.661 -19.317 -3.869 1.00 1.00 N ATOM 87 CA PRO A 691 45.260 -19.144 -4.354 1.00 1.00 C ATOM 88 C PRO A 691 44.994 -17.712 -4.809 1.00 1.00 C ATOM 89 O PRO A 691 45.521 -16.760 -4.233 1.00 1.00 O ATOM 90 CB PRO A 691 44.390 -19.498 -3.141 1.00 1.00 C ATOM 91 CG PRO A 691 45.285 -20.227 -2.191 1.00 1.00 C ATOM 92 CD PRO A 691 46.702 -19.730 -2.461 1.00 1.00 C ATOM 0 HA PRO A 691 45.051 -19.771 -5.221 1.00 1.00 H new ATOM 0 HB2 PRO A 691 43.980 -18.600 -2.679 1.00 1.00 H new ATOM 0 HB3 PRO A 691 43.544 -20.120 -3.435 1.00 1.00 H new ATOM 0 HG2 PRO A 691 44.996 -20.032 -1.158 1.00 1.00 H new ATOM 0 HG3 PRO A 691 45.216 -21.304 -2.343 1.00 1.00 H new ATOM 0 HD2 PRO A 691 46.967 -18.899 -1.807 1.00 1.00 H new ATOM 0 HD3 PRO A 691 47.440 -20.514 -2.295 1.00 1.00 H new ATOM 100 N ASP A 692 44.165 -17.564 -5.838 1.00 1.00 N ATOM 101 CA ASP A 692 43.834 -16.238 -6.346 1.00 1.00 C ATOM 102 C ASP A 692 42.491 -15.772 -5.793 1.00 1.00 C ATOM 103 O ASP A 692 42.063 -14.646 -6.044 1.00 1.00 O ATOM 104 CB ASP A 692 43.777 -16.263 -7.875 1.00 1.00 C ATOM 105 CG ASP A 692 42.796 -17.334 -8.342 1.00 1.00 C ATOM 106 OD1 ASP A 692 42.295 -18.059 -7.499 1.00 1.00 O ATOM 107 OD2 ASP A 692 42.562 -17.413 -9.537 1.00 1.00 O ATOM 0 H ASP A 692 43.715 -18.336 -6.331 1.00 1.00 H new ATOM 0 HA ASP A 692 44.609 -15.542 -6.023 1.00 1.00 H new ATOM 0 HB2 ASP A 692 43.470 -15.287 -8.252 1.00 1.00 H new ATOM 0 HB3 ASP A 692 44.768 -16.464 -8.281 1.00 1.00 H new ATOM 112 N ILE A 693 41.839 -16.640 -5.027 1.00 1.00 N ATOM 113 CA ILE A 693 40.551 -16.321 -4.422 1.00 1.00 C ATOM 114 C ILE A 693 40.720 -15.212 -3.406 1.00 1.00 C ATOM 115 O ILE A 693 39.936 -14.266 -3.353 1.00 1.00 O ATOM 116 CB ILE A 693 39.969 -17.560 -3.740 1.00 1.00 C ATOM 117 CG1 ILE A 693 39.595 -18.596 -4.804 1.00 1.00 C ATOM 118 CG2 ILE A 693 38.719 -17.168 -2.950 1.00 1.00 C ATOM 119 CD1 ILE A 693 39.275 -19.931 -4.128 1.00 1.00 C ATOM 0 H ILE A 693 42.184 -17.575 -4.810 1.00 1.00 H new ATOM 0 HA ILE A 693 39.867 -15.991 -5.204 1.00 1.00 H new ATOM 0 HB ILE A 693 40.709 -17.984 -3.061 1.00 1.00 H new ATOM 0 HG12 ILE A 693 38.734 -18.251 -5.376 1.00 1.00 H new ATOM 0 HG13 ILE A 693 40.417 -18.721 -5.509 1.00 1.00 H new ATOM 0 HG21 ILE A 693 38.304 -18.051 -2.464 1.00 1.00 H new ATOM 0 HG22 ILE A 693 38.983 -16.428 -2.194 1.00 1.00 H new ATOM 0 HG23 ILE A 693 37.978 -16.745 -3.628 1.00 1.00 H new ATOM 0 HD11 ILE A 693 39.009 -20.668 -4.886 1.00 1.00 H new ATOM 0 HD12 ILE A 693 40.148 -20.278 -3.576 1.00 1.00 H new ATOM 0 HD13 ILE A 693 38.439 -19.800 -3.440 1.00 1.00 H new ATOM 131 N LEU A 694 41.769 -15.336 -2.609 1.00 1.00 N ATOM 132 CA LEU A 694 42.072 -14.348 -1.597 1.00 1.00 C ATOM 133 C LEU A 694 42.372 -13.017 -2.262 1.00 1.00 C ATOM 134 O LEU A 694 41.961 -11.964 -1.779 1.00 1.00 O ATOM 135 CB LEU A 694 43.278 -14.795 -0.767 1.00 1.00 C ATOM 136 CG LEU A 694 42.822 -15.776 0.315 1.00 1.00 C ATOM 137 CD1 LEU A 694 42.198 -17.010 -0.342 1.00 1.00 C ATOM 138 CD2 LEU A 694 44.028 -16.204 1.153 1.00 1.00 C ATOM 0 H LEU A 694 42.425 -16.116 -2.647 1.00 1.00 H new ATOM 0 HA LEU A 694 41.212 -14.239 -0.937 1.00 1.00 H new ATOM 0 HB2 LEU A 694 44.020 -15.267 -1.411 1.00 1.00 H new ATOM 0 HB3 LEU A 694 43.758 -13.930 -0.309 1.00 1.00 H new ATOM 0 HG LEU A 694 42.084 -15.292 0.955 1.00 1.00 H new ATOM 0 HD11 LEU A 694 41.874 -17.708 0.430 1.00 1.00 H new ATOM 0 HD12 LEU A 694 41.340 -16.708 -0.942 1.00 1.00 H new ATOM 0 HD13 LEU A 694 42.936 -17.494 -0.982 1.00 1.00 H new ATOM 0 HD21 LEU A 694 43.705 -16.903 1.925 1.00 1.00 H new ATOM 0 HD22 LEU A 694 44.764 -16.687 0.511 1.00 1.00 H new ATOM 0 HD23 LEU A 694 44.475 -15.327 1.622 1.00 1.00 H new ATOM 150 N VAL A 695 43.089 -13.071 -3.378 1.00 1.00 N ATOM 151 CA VAL A 695 43.444 -11.858 -4.105 1.00 1.00 C ATOM 152 C VAL A 695 42.184 -11.176 -4.591 1.00 1.00 C ATOM 153 O VAL A 695 42.014 -9.966 -4.442 1.00 1.00 O ATOM 154 CB VAL A 695 44.340 -12.200 -5.296 1.00 1.00 C ATOM 155 CG1 VAL A 695 44.529 -10.957 -6.167 1.00 1.00 C ATOM 156 CG2 VAL A 695 45.702 -12.678 -4.789 1.00 1.00 C ATOM 0 H VAL A 695 43.434 -13.935 -3.797 1.00 1.00 H new ATOM 0 HA VAL A 695 43.987 -11.188 -3.439 1.00 1.00 H new ATOM 0 HB VAL A 695 43.874 -12.989 -5.886 1.00 1.00 H new ATOM 0 HG11 VAL A 695 45.168 -11.201 -7.016 1.00 1.00 H new ATOM 0 HG12 VAL A 695 43.559 -10.616 -6.529 1.00 1.00 H new ATOM 0 HG13 VAL A 695 44.995 -10.167 -5.578 1.00 1.00 H new ATOM 0 HG21 VAL A 695 46.341 -12.922 -5.638 1.00 1.00 H new ATOM 0 HG22 VAL A 695 46.168 -11.889 -4.199 1.00 1.00 H new ATOM 0 HG23 VAL A 695 45.569 -13.564 -4.169 1.00 1.00 H new ATOM 166 N VAL A 696 41.291 -11.976 -5.149 1.00 1.00 N ATOM 167 CA VAL A 696 40.027 -11.469 -5.633 1.00 1.00 C ATOM 168 C VAL A 696 39.224 -10.931 -4.461 1.00 1.00 C ATOM 169 O VAL A 696 38.600 -9.875 -4.553 1.00 1.00 O ATOM 170 CB VAL A 696 39.244 -12.581 -6.332 1.00 1.00 C ATOM 171 CG1 VAL A 696 37.837 -12.082 -6.667 1.00 1.00 C ATOM 172 CG2 VAL A 696 39.964 -12.975 -7.624 1.00 1.00 C ATOM 0 H VAL A 696 41.422 -12.980 -5.276 1.00 1.00 H new ATOM 0 HA VAL A 696 40.211 -10.669 -6.350 1.00 1.00 H new ATOM 0 HB VAL A 696 39.176 -13.447 -5.673 1.00 1.00 H new ATOM 0 HG11 VAL A 696 37.279 -12.875 -7.165 1.00 1.00 H new ATOM 0 HG12 VAL A 696 37.323 -11.799 -5.748 1.00 1.00 H new ATOM 0 HG13 VAL A 696 37.905 -11.217 -7.326 1.00 1.00 H new ATOM 0 HG21 VAL A 696 39.407 -13.768 -8.124 1.00 1.00 H new ATOM 0 HG22 VAL A 696 40.031 -12.109 -8.282 1.00 1.00 H new ATOM 0 HG23 VAL A 696 40.967 -13.330 -7.388 1.00 1.00 H new ATOM 182 N LEU A 697 39.221 -11.678 -3.363 1.00 1.00 N ATOM 183 CA LEU A 697 38.461 -11.272 -2.184 1.00 1.00 C ATOM 184 C LEU A 697 38.969 -9.948 -1.607 1.00 1.00 C ATOM 185 O LEU A 697 38.174 -9.077 -1.255 1.00 1.00 O ATOM 186 CB LEU A 697 38.550 -12.372 -1.115 1.00 1.00 C ATOM 187 CG LEU A 697 37.776 -11.965 0.147 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.317 -11.666 -0.206 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.823 -13.115 1.157 1.00 1.00 C ATOM 0 H LEU A 697 39.729 -12.557 -3.263 1.00 1.00 H new ATOM 0 HA LEU A 697 37.424 -11.125 -2.486 1.00 1.00 H new ATOM 0 HB2 LEU A 697 38.146 -13.304 -1.511 1.00 1.00 H new ATOM 0 HB3 LEU A 697 39.594 -12.558 -0.863 1.00 1.00 H new ATOM 0 HG LEU A 697 38.231 -11.072 0.575 1.00 1.00 H new ATOM 0 HD11 LEU A 697 35.776 -11.378 0.696 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.277 -10.851 -0.929 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.857 -12.556 -0.637 1.00 1.00 H new ATOM 0 HD21 LEU A 697 37.275 -12.832 2.056 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.368 -14.003 0.719 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.860 -13.329 1.416 1.00 1.00 H new ATOM 201 N LEU A 698 40.286 -9.791 -1.515 1.00 1.00 N ATOM 202 CA LEU A 698 40.855 -8.554 -0.984 1.00 1.00 C ATOM 203 C LEU A 698 40.511 -7.400 -1.900 1.00 1.00 C ATOM 204 O LEU A 698 40.136 -6.319 -1.448 1.00 1.00 O ATOM 205 CB LEU A 698 42.383 -8.657 -0.825 1.00 1.00 C ATOM 206 CG LEU A 698 42.765 -9.243 0.549 1.00 1.00 C ATOM 207 CD1 LEU A 698 42.375 -10.719 0.655 1.00 1.00 C ATOM 208 CD2 LEU A 698 44.278 -9.114 0.738 1.00 1.00 C ATOM 0 H LEU A 698 40.971 -10.492 -1.796 1.00 1.00 H new ATOM 0 HA LEU A 698 40.426 -8.382 0.003 1.00 1.00 H new ATOM 0 HB2 LEU A 698 42.792 -9.285 -1.617 1.00 1.00 H new ATOM 0 HB3 LEU A 698 42.830 -7.669 -0.939 1.00 1.00 H new ATOM 0 HG LEU A 698 42.228 -8.691 1.320 1.00 1.00 H new ATOM 0 HD11 LEU A 698 42.658 -11.101 1.636 1.00 1.00 H new ATOM 0 HD12 LEU A 698 41.298 -10.821 0.523 1.00 1.00 H new ATOM 0 HD13 LEU A 698 42.891 -11.288 -0.119 1.00 1.00 H new ATOM 0 HD21 LEU A 698 44.560 -9.525 1.707 1.00 1.00 H new ATOM 0 HD22 LEU A 698 44.791 -9.662 -0.052 1.00 1.00 H new ATOM 0 HD23 LEU A 698 44.562 -8.063 0.694 1.00 1.00 H new ATOM 220 N SER A 699 40.623 -7.646 -3.195 1.00 1.00 N ATOM 221 CA SER A 699 40.305 -6.637 -4.182 1.00 1.00 C ATOM 222 C SER A 699 38.834 -6.271 -4.091 1.00 1.00 C ATOM 223 O SER A 699 38.456 -5.116 -4.283 1.00 1.00 O ATOM 224 CB SER A 699 40.632 -7.170 -5.574 1.00 1.00 C ATOM 225 OG SER A 699 39.877 -8.351 -5.802 1.00 1.00 O ATOM 0 H SER A 699 40.932 -8.537 -3.584 1.00 1.00 H new ATOM 0 HA SER A 699 40.899 -5.743 -3.993 1.00 1.00 H new ATOM 0 HB2 SER A 699 40.397 -6.420 -6.330 1.00 1.00 H new ATOM 0 HB3 SER A 699 41.698 -7.382 -5.656 1.00 1.00 H new ATOM 0 HG SER A 699 39.408 -8.603 -4.979 1.00 1.00 H new ATOM 231 N VAL A 700 38.007 -7.264 -3.774 1.00 1.00 N ATOM 232 CA VAL A 700 36.573 -7.032 -3.638 1.00 1.00 C ATOM 233 C VAL A 700 36.329 -6.114 -2.456 1.00 1.00 C ATOM 234 O VAL A 700 35.555 -5.161 -2.533 1.00 1.00 O ATOM 235 CB VAL A 700 35.833 -8.356 -3.435 1.00 1.00 C ATOM 236 CG1 VAL A 700 34.367 -8.074 -3.099 1.00 1.00 C ATOM 237 CG2 VAL A 700 35.908 -9.184 -4.719 1.00 1.00 C ATOM 0 H VAL A 700 38.301 -8.226 -3.608 1.00 1.00 H new ATOM 0 HA VAL A 700 36.197 -6.566 -4.549 1.00 1.00 H new ATOM 0 HB VAL A 700 36.295 -8.908 -2.617 1.00 1.00 H new ATOM 0 HG11 VAL A 700 33.839 -9.017 -2.954 1.00 1.00 H new ATOM 0 HG12 VAL A 700 34.310 -7.482 -2.185 1.00 1.00 H new ATOM 0 HG13 VAL A 700 33.906 -7.522 -3.918 1.00 1.00 H new ATOM 0 HG21 VAL A 700 35.381 -10.127 -4.575 1.00 1.00 H new ATOM 0 HG22 VAL A 700 35.445 -8.631 -5.536 1.00 1.00 H new ATOM 0 HG23 VAL A 700 36.951 -9.385 -4.962 1.00 1.00 H new ATOM 247 N MET A 701 37.007 -6.419 -1.358 1.00 1.00 N ATOM 248 CA MET A 701 36.883 -5.627 -0.151 1.00 1.00 C ATOM 249 C MET A 701 37.356 -4.211 -0.421 1.00 1.00 C ATOM 250 O MET A 701 36.764 -3.245 0.063 1.00 1.00 O ATOM 251 CB MET A 701 37.714 -6.248 0.973 1.00 1.00 C ATOM 252 CG MET A 701 37.522 -5.443 2.260 1.00 1.00 C ATOM 253 SD MET A 701 38.439 -6.231 3.610 1.00 1.00 S ATOM 254 CE MET A 701 40.108 -5.911 2.985 1.00 1.00 C ATOM 0 H MET A 701 37.647 -7.209 -1.282 1.00 1.00 H new ATOM 0 HA MET A 701 35.837 -5.606 0.156 1.00 1.00 H new ATOM 0 HB2 MET A 701 37.413 -7.283 1.132 1.00 1.00 H new ATOM 0 HB3 MET A 701 38.768 -6.262 0.695 1.00 1.00 H new ATOM 0 HG2 MET A 701 37.872 -4.420 2.117 1.00 1.00 H new ATOM 0 HG3 MET A 701 36.463 -5.386 2.511 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.809 -5.882 3.819 1.00 1.00 H new ATOM 0 HE2 MET A 701 40.397 -6.704 2.295 1.00 1.00 H new ATOM 0 HE3 MET A 701 40.124 -4.954 2.464 1.00 1.00 H new ATOM 264 N GLY A 702 38.431 -4.092 -1.196 1.00 1.00 N ATOM 265 CA GLY A 702 38.977 -2.779 -1.524 1.00 1.00 C ATOM 266 C GLY A 702 37.979 -1.963 -2.341 1.00 1.00 C ATOM 267 O GLY A 702 37.803 -0.766 -2.107 1.00 1.00 O ATOM 0 H GLY A 702 38.936 -4.879 -1.604 1.00 1.00 H new ATOM 0 HA2 GLY A 702 39.226 -2.245 -0.607 1.00 1.00 H new ATOM 0 HA3 GLY A 702 39.904 -2.896 -2.086 1.00 1.00 H new ATOM 271 N ALA A 703 37.333 -2.617 -3.304 1.00 1.00 N ATOM 272 CA ALA A 703 36.361 -1.940 -4.154 1.00 1.00 C ATOM 273 C ALA A 703 35.178 -1.442 -3.330 1.00 1.00 C ATOM 274 O ALA A 703 34.674 -0.344 -3.559 1.00 1.00 O ATOM 275 CB ALA A 703 35.860 -2.899 -5.238 1.00 1.00 C ATOM 0 H ALA A 703 37.464 -3.607 -3.513 1.00 1.00 H new ATOM 0 HA ALA A 703 36.850 -1.084 -4.620 1.00 1.00 H new ATOM 0 HB1 ALA A 703 35.134 -2.387 -5.870 1.00 1.00 H new ATOM 0 HB2 ALA A 703 36.701 -3.231 -5.847 1.00 1.00 H new ATOM 0 HB3 ALA A 703 35.388 -3.763 -4.770 1.00 1.00 H new ATOM 281 N ILE A 704 34.739 -2.249 -2.371 1.00 1.00 N ATOM 282 CA ILE A 704 33.611 -1.856 -1.535 1.00 1.00 C ATOM 283 C ILE A 704 33.960 -0.613 -0.723 1.00 1.00 C ATOM 284 O ILE A 704 33.157 0.313 -0.610 1.00 1.00 O ATOM 285 CB ILE A 704 33.243 -2.998 -0.585 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.675 -4.168 -1.391 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.193 -2.510 0.417 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.562 -5.402 -0.493 1.00 1.00 C ATOM 0 H ILE A 704 35.138 -3.163 -2.155 1.00 1.00 H new ATOM 0 HA ILE A 704 32.762 -1.632 -2.181 1.00 1.00 H new ATOM 0 HB ILE A 704 34.133 -3.325 -0.047 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.696 -3.906 -1.791 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.320 -4.383 -2.243 1.00 1.00 H new ATOM 0 HG21 ILE A 704 31.930 -3.323 1.094 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.598 -1.676 0.991 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.302 -2.183 -0.120 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.157 -6.235 -1.068 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.549 -5.668 -0.114 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.899 -5.183 0.344 1.00 1.00 H new ATOM 300 N LEU A 705 35.159 -0.598 -0.152 1.00 1.00 N ATOM 301 CA LEU A 705 35.588 0.534 0.657 1.00 1.00 C ATOM 302 C LEU A 705 35.648 1.810 -0.186 1.00 1.00 C ATOM 303 O LEU A 705 35.230 2.874 0.263 1.00 1.00 O ATOM 304 CB LEU A 705 36.968 0.237 1.259 1.00 1.00 C ATOM 305 CG LEU A 705 37.455 1.422 2.103 1.00 1.00 C ATOM 306 CD1 LEU A 705 36.441 1.729 3.207 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.803 1.065 2.736 1.00 1.00 C ATOM 0 H LEU A 705 35.844 -1.349 -0.233 1.00 1.00 H new ATOM 0 HA LEU A 705 34.865 0.688 1.458 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.916 -0.659 1.877 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.683 0.033 0.461 1.00 1.00 H new ATOM 0 HG LEU A 705 37.564 2.299 1.466 1.00 1.00 H new ATOM 0 HD11 LEU A 705 36.794 2.571 3.802 1.00 1.00 H new ATOM 0 HD12 LEU A 705 35.480 1.979 2.759 1.00 1.00 H new ATOM 0 HD13 LEU A 705 36.326 0.855 3.848 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.156 1.903 3.338 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.686 0.187 3.371 1.00 1.00 H new ATOM 0 HD23 LEU A 705 39.528 0.851 1.951 1.00 1.00 H new ATOM 319 N LEU A 706 36.185 1.703 -1.400 1.00 1.00 N ATOM 320 CA LEU A 706 36.311 2.868 -2.289 1.00 1.00 C ATOM 321 C LEU A 706 34.945 3.450 -2.663 1.00 1.00 C ATOM 322 O LEU A 706 34.761 4.666 -2.705 1.00 1.00 O ATOM 323 CB LEU A 706 37.074 2.477 -3.559 1.00 1.00 C ATOM 324 CG LEU A 706 38.541 2.183 -3.213 1.00 1.00 C ATOM 325 CD1 LEU A 706 39.229 1.593 -4.442 1.00 1.00 C ATOM 326 CD2 LEU A 706 39.267 3.471 -2.791 1.00 1.00 C ATOM 0 H LEU A 706 36.539 0.831 -1.793 1.00 1.00 H new ATOM 0 HA LEU A 706 36.864 3.637 -1.749 1.00 1.00 H new ATOM 0 HB2 LEU A 706 36.615 1.600 -4.015 1.00 1.00 H new ATOM 0 HB3 LEU A 706 37.018 3.283 -4.291 1.00 1.00 H new ATOM 0 HG LEU A 706 38.577 1.477 -2.383 1.00 1.00 H new ATOM 0 HD11 LEU A 706 40.272 1.380 -4.208 1.00 1.00 H new ATOM 0 HD12 LEU A 706 38.727 0.670 -4.732 1.00 1.00 H new ATOM 0 HD13 LEU A 706 39.180 2.307 -5.264 1.00 1.00 H new ATOM 0 HD21 LEU A 706 40.305 3.241 -2.550 1.00 1.00 H new ATOM 0 HD22 LEU A 706 39.235 4.191 -3.609 1.00 1.00 H new ATOM 0 HD23 LEU A 706 38.776 3.895 -1.915 1.00 1.00 H new ATOM 338 N ILE A 707 33.995 2.570 -2.933 1.00 1.00 N ATOM 339 CA ILE A 707 32.648 2.971 -3.306 1.00 1.00 C ATOM 340 C ILE A 707 31.977 3.722 -2.152 1.00 1.00 C ATOM 341 O ILE A 707 31.228 4.657 -2.382 1.00 1.00 O ATOM 342 CB ILE A 707 31.821 1.759 -3.726 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.396 1.187 -5.037 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.367 2.194 -3.954 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.784 -0.193 -5.302 1.00 1.00 C ATOM 0 H ILE A 707 34.135 1.560 -2.900 1.00 1.00 H new ATOM 0 HA ILE A 707 32.710 3.645 -4.160 1.00 1.00 H new ATOM 0 HB ILE A 707 31.856 0.998 -2.946 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.177 1.859 -5.867 1.00 1.00 H new ATOM 0 HG13 ILE A 707 33.481 1.109 -4.967 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.772 1.332 -4.254 1.00 1.00 H new ATOM 0 HG22 ILE A 707 29.963 2.610 -3.031 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.332 2.950 -4.739 1.00 1.00 H new ATOM 0 HD11 ILE A 707 32.189 -0.599 -6.229 1.00 1.00 H new ATOM 0 HD12 ILE A 707 32.025 -0.863 -4.476 1.00 1.00 H new ATOM 0 HD13 ILE A 707 30.701 -0.100 -5.390 1.00 1.00 H new ATOM 357 N GLY A 708 32.180 3.272 -0.915 1.00 1.00 N ATOM 358 CA GLY A 708 31.556 3.919 0.219 1.00 1.00 C ATOM 359 C GLY A 708 32.181 5.288 0.467 1.00 1.00 C ATOM 360 O GLY A 708 31.480 6.268 0.723 1.00 1.00 O ATOM 0 H GLY A 708 32.766 2.470 -0.682 1.00 1.00 H new ATOM 0 HA2 GLY A 708 30.487 4.029 0.039 1.00 1.00 H new ATOM 0 HA3 GLY A 708 31.667 3.296 1.107 1.00 1.00 H new ATOM 364 N LEU A 709 33.505 5.341 0.376 1.00 1.00 N ATOM 365 CA LEU A 709 34.263 6.568 0.551 1.00 1.00 C ATOM 366 C LEU A 709 33.981 7.538 -0.584 1.00 1.00 C ATOM 367 O LEU A 709 33.927 8.749 -0.389 1.00 1.00 O ATOM 368 CB LEU A 709 35.766 6.255 0.607 1.00 1.00 C ATOM 369 CG LEU A 709 36.095 5.481 1.893 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.555 5.026 1.855 1.00 1.00 C ATOM 371 CD2 LEU A 709 35.878 6.369 3.122 1.00 1.00 C ATOM 0 H LEU A 709 34.084 4.525 0.177 1.00 1.00 H new ATOM 0 HA LEU A 709 33.957 7.031 1.489 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.056 5.668 -0.265 1.00 1.00 H new ATOM 0 HB3 LEU A 709 36.340 7.181 0.573 1.00 1.00 H new ATOM 0 HG LEU A 709 35.436 4.615 1.958 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.789 4.477 2.767 1.00 1.00 H new ATOM 0 HD12 LEU A 709 37.712 4.379 0.992 1.00 1.00 H new ATOM 0 HD13 LEU A 709 38.206 5.897 1.779 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.115 5.806 4.024 1.00 1.00 H new ATOM 0 HD22 LEU A 709 36.526 7.243 3.059 1.00 1.00 H new ATOM 0 HD23 LEU A 709 34.837 6.691 3.159 1.00 1.00 H new ATOM 383 N ALA A 710 33.837 6.988 -1.790 1.00 1.00 N ATOM 384 CA ALA A 710 33.607 7.807 -2.978 1.00 1.00 C ATOM 385 C ALA A 710 32.720 9.013 -2.681 1.00 1.00 C ATOM 386 O ALA A 710 33.158 10.154 -2.829 1.00 1.00 O ATOM 387 CB ALA A 710 32.974 6.957 -4.080 1.00 1.00 C ATOM 0 H ALA A 710 33.875 5.984 -1.969 1.00 1.00 H new ATOM 0 HA ALA A 710 34.575 8.184 -3.309 1.00 1.00 H new ATOM 0 HB1 ALA A 710 32.805 7.573 -4.963 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.642 6.134 -4.334 1.00 1.00 H new ATOM 0 HB3 ALA A 710 32.023 6.557 -3.730 1.00 1.00 H new ATOM 393 N PRO A 711 31.497 8.805 -2.270 1.00 1.00 N ATOM 394 CA PRO A 711 30.573 9.934 -1.959 1.00 1.00 C ATOM 395 C PRO A 711 31.067 10.821 -0.816 1.00 1.00 C ATOM 396 O PRO A 711 30.822 12.025 -0.818 1.00 1.00 O ATOM 397 CB PRO A 711 29.259 9.243 -1.580 1.00 1.00 C ATOM 398 CG PRO A 711 29.637 7.851 -1.203 1.00 1.00 C ATOM 399 CD PRO A 711 30.851 7.501 -2.057 1.00 1.00 C ATOM 0 HA PRO A 711 30.481 10.611 -2.808 1.00 1.00 H new ATOM 0 HB2 PRO A 711 28.771 9.755 -0.751 1.00 1.00 H new ATOM 0 HB3 PRO A 711 28.558 9.247 -2.415 1.00 1.00 H new ATOM 0 HG2 PRO A 711 29.874 7.785 -0.141 1.00 1.00 H new ATOM 0 HG3 PRO A 711 28.816 7.159 -1.390 1.00 1.00 H new ATOM 0 HD2 PRO A 711 31.514 6.801 -1.548 1.00 1.00 H new ATOM 0 HD3 PRO A 711 30.560 7.036 -2.999 1.00 1.00 H new ATOM 407 N LEU A 712 31.792 10.240 0.141 1.00 1.00 N ATOM 408 CA LEU A 712 32.322 11.032 1.237 1.00 1.00 C ATOM 409 C LEU A 712 33.349 12.016 0.701 1.00 1.00 C ATOM 410 O LEU A 712 33.331 13.194 1.052 1.00 1.00 O ATOM 411 CB LEU A 712 32.965 10.128 2.293 1.00 1.00 C ATOM 412 CG LEU A 712 31.879 9.315 3.006 1.00 1.00 C ATOM 413 CD1 LEU A 712 32.537 8.261 3.897 1.00 1.00 C ATOM 414 CD2 LEU A 712 31.000 10.234 3.867 1.00 1.00 C ATOM 0 H LEU A 712 32.019 9.246 0.176 1.00 1.00 H new ATOM 0 HA LEU A 712 31.504 11.579 1.705 1.00 1.00 H new ATOM 0 HB2 LEU A 712 33.685 9.458 1.823 1.00 1.00 H new ATOM 0 HB3 LEU A 712 33.515 10.731 3.016 1.00 1.00 H new ATOM 0 HG LEU A 712 31.253 8.830 2.257 1.00 1.00 H new ATOM 0 HD11 LEU A 712 31.766 7.682 4.405 1.00 1.00 H new ATOM 0 HD12 LEU A 712 33.146 7.596 3.285 1.00 1.00 H new ATOM 0 HD13 LEU A 712 33.168 8.753 4.637 1.00 1.00 H new ATOM 0 HD21 LEU A 712 30.234 9.641 4.367 1.00 1.00 H new ATOM 0 HD22 LEU A 712 31.617 10.733 4.614 1.00 1.00 H new ATOM 0 HD23 LEU A 712 30.524 10.981 3.232 1.00 1.00 H new ATOM 426 N LEU A 713 34.224 11.539 -0.185 1.00 1.00 N ATOM 427 CA LEU A 713 35.219 12.416 -0.781 1.00 1.00 C ATOM 428 C LEU A 713 34.544 13.483 -1.621 1.00 1.00 C ATOM 429 O LEU A 713 34.912 14.652 -1.567 1.00 1.00 O ATOM 430 CB LEU A 713 36.209 11.629 -1.648 1.00 1.00 C ATOM 431 CG LEU A 713 37.325 11.039 -0.777 1.00 1.00 C ATOM 432 CD1 LEU A 713 36.740 10.041 0.217 1.00 1.00 C ATOM 433 CD2 LEU A 713 38.338 10.323 -1.674 1.00 1.00 C ATOM 0 H LEU A 713 34.261 10.569 -0.498 1.00 1.00 H new ATOM 0 HA LEU A 713 35.772 12.888 0.031 1.00 1.00 H new ATOM 0 HB2 LEU A 713 35.687 10.829 -2.174 1.00 1.00 H new ATOM 0 HB3 LEU A 713 36.638 12.283 -2.407 1.00 1.00 H new ATOM 0 HG LEU A 713 37.815 11.844 -0.229 1.00 1.00 H new ATOM 0 HD11 LEU A 713 37.540 9.627 0.831 1.00 1.00 H new ATOM 0 HD12 LEU A 713 36.016 10.546 0.856 1.00 1.00 H new ATOM 0 HD13 LEU A 713 36.245 9.235 -0.325 1.00 1.00 H new ATOM 0 HD21 LEU A 713 39.134 9.902 -1.060 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.839 9.523 -2.220 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.764 11.034 -2.382 1.00 1.00 H new ATOM 445 N ILE A 714 33.538 13.074 -2.393 1.00 1.00 N ATOM 446 CA ILE A 714 32.821 14.022 -3.228 1.00 1.00 C ATOM 447 C ILE A 714 32.112 15.038 -2.349 1.00 1.00 C ATOM 448 O ILE A 714 32.183 16.239 -2.599 1.00 1.00 O ATOM 449 CB ILE A 714 31.798 13.289 -4.099 1.00 1.00 C ATOM 450 CG1 ILE A 714 32.533 12.426 -5.127 1.00 1.00 C ATOM 451 CG2 ILE A 714 30.920 14.310 -4.825 1.00 1.00 C ATOM 452 CD1 ILE A 714 31.537 11.487 -5.812 1.00 1.00 C ATOM 0 H ILE A 714 33.209 12.110 -2.454 1.00 1.00 H new ATOM 0 HA ILE A 714 33.532 14.535 -3.876 1.00 1.00 H new ATOM 0 HB ILE A 714 31.172 12.655 -3.471 1.00 1.00 H new ATOM 0 HG12 ILE A 714 33.020 13.060 -5.868 1.00 1.00 H new ATOM 0 HG13 ILE A 714 33.317 11.848 -4.638 1.00 1.00 H new ATOM 0 HG21 ILE A 714 30.192 13.788 -5.445 1.00 1.00 H new ATOM 0 HG22 ILE A 714 30.398 14.927 -4.093 1.00 1.00 H new ATOM 0 HG23 ILE A 714 31.544 14.944 -5.455 1.00 1.00 H new ATOM 0 HD11 ILE A 714 32.061 10.872 -6.544 1.00 1.00 H new ATOM 0 HD12 ILE A 714 31.071 10.844 -5.066 1.00 1.00 H new ATOM 0 HD13 ILE A 714 30.769 12.075 -6.315 1.00 1.00 H new ATOM 464 N TRP A 715 31.458 14.557 -1.296 1.00 1.00 N ATOM 465 CA TRP A 715 30.779 15.453 -0.377 1.00 1.00 C ATOM 466 C TRP A 715 31.808 16.311 0.339 1.00 1.00 C ATOM 467 O TRP A 715 31.644 17.524 0.464 1.00 1.00 O ATOM 468 CB TRP A 715 29.972 14.647 0.642 1.00 1.00 C ATOM 469 CG TRP A 715 29.305 15.578 1.602 1.00 1.00 C ATOM 470 CD1 TRP A 715 28.100 16.163 1.408 1.00 1.00 C ATOM 471 CD2 TRP A 715 29.779 16.040 2.900 1.00 1.00 C ATOM 472 NE1 TRP A 715 27.805 16.955 2.503 1.00 1.00 N ATOM 473 CE2 TRP A 715 28.810 16.912 3.450 1.00 1.00 C ATOM 474 CE3 TRP A 715 30.945 15.789 3.646 1.00 1.00 C ATOM 475 CZ2 TRP A 715 28.991 17.515 4.695 1.00 1.00 C ATOM 476 CZ3 TRP A 715 31.130 16.395 4.900 1.00 1.00 C ATOM 477 CH2 TRP A 715 30.155 17.255 5.423 1.00 1.00 C ATOM 0 H TRP A 715 31.386 13.567 -1.063 1.00 1.00 H new ATOM 0 HA TRP A 715 30.096 16.094 -0.935 1.00 1.00 H new ATOM 0 HB2 TRP A 715 29.225 14.039 0.131 1.00 1.00 H new ATOM 0 HB3 TRP A 715 30.627 13.962 1.180 1.00 1.00 H new ATOM 0 HD1 TRP A 715 27.471 16.033 0.540 1.00 1.00 H new ATOM 0 HE1 TRP A 715 26.950 17.503 2.599 1.00 1.00 H new ATOM 0 HE3 TRP A 715 31.702 15.127 3.253 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 28.237 18.178 5.093 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 32.029 16.197 5.464 1.00 1.00 H new ATOM 0 HH2 TRP A 715 30.303 17.717 6.388 1.00 1.00 H new ATOM 488 N ALA A 716 32.869 15.661 0.810 1.00 1.00 N ATOM 489 CA ALA A 716 33.928 16.362 1.521 1.00 1.00 C ATOM 490 C ALA A 716 34.521 17.459 0.643 1.00 1.00 C ATOM 491 O ALA A 716 34.683 18.594 1.079 1.00 1.00 O ATOM 492 CB ALA A 716 35.030 15.381 1.924 1.00 1.00 C ATOM 0 H ALA A 716 33.016 14.656 0.712 1.00 1.00 H new ATOM 0 HA ALA A 716 33.501 16.814 2.416 1.00 1.00 H new ATOM 0 HB1 ALA A 716 35.817 15.916 2.455 1.00 1.00 H new ATOM 0 HB2 ALA A 716 34.612 14.611 2.573 1.00 1.00 H new ATOM 0 HB3 ALA A 716 35.447 14.915 1.031 1.00 1.00 H new ATOM 498 N LEU A 717 34.836 17.124 -0.600 1.00 1.00 N ATOM 499 CA LEU A 717 35.392 18.107 -1.507 1.00 1.00 C ATOM 500 C LEU A 717 34.386 19.215 -1.784 1.00 1.00 C ATOM 501 O LEU A 717 34.734 20.388 -1.763 1.00 1.00 O ATOM 502 CB LEU A 717 35.807 17.443 -2.823 1.00 1.00 C ATOM 503 CG LEU A 717 37.039 16.558 -2.591 1.00 1.00 C ATOM 504 CD1 LEU A 717 37.300 15.710 -3.837 1.00 1.00 C ATOM 505 CD2 LEU A 717 38.273 17.425 -2.300 1.00 1.00 C ATOM 0 H LEU A 717 34.717 16.192 -0.996 1.00 1.00 H new ATOM 0 HA LEU A 717 36.272 18.544 -1.035 1.00 1.00 H new ATOM 0 HB2 LEU A 717 34.985 16.843 -3.214 1.00 1.00 H new ATOM 0 HB3 LEU A 717 36.030 18.204 -3.571 1.00 1.00 H new ATOM 0 HG LEU A 717 36.850 15.911 -1.735 1.00 1.00 H new ATOM 0 HD11 LEU A 717 38.175 15.081 -3.672 1.00 1.00 H new ATOM 0 HD12 LEU A 717 36.433 15.080 -4.037 1.00 1.00 H new ATOM 0 HD13 LEU A 717 37.478 16.363 -4.691 1.00 1.00 H new ATOM 0 HD21 LEU A 717 39.139 16.783 -2.138 1.00 1.00 H new ATOM 0 HD22 LEU A 717 38.463 18.083 -3.148 1.00 1.00 H new ATOM 0 HD23 LEU A 717 38.094 18.025 -1.408 1.00 1.00 H new ATOM 517 N LEU A 718 33.127 18.848 -2.018 1.00 1.00 N ATOM 518 CA LEU A 718 32.108 19.856 -2.273 1.00 1.00 C ATOM 519 C LEU A 718 31.882 20.731 -1.047 1.00 1.00 C ATOM 520 O LEU A 718 31.807 21.951 -1.160 1.00 1.00 O ATOM 521 CB LEU A 718 30.793 19.189 -2.684 1.00 1.00 C ATOM 522 CG LEU A 718 30.938 18.579 -4.085 1.00 1.00 C ATOM 523 CD1 LEU A 718 29.718 17.708 -4.389 1.00 1.00 C ATOM 524 CD2 LEU A 718 31.046 19.688 -5.142 1.00 1.00 C ATOM 0 H LEU A 718 32.796 17.883 -2.036 1.00 1.00 H new ATOM 0 HA LEU A 718 32.460 20.489 -3.087 1.00 1.00 H new ATOM 0 HB2 LEU A 718 30.527 18.414 -1.965 1.00 1.00 H new ATOM 0 HB3 LEU A 718 29.985 19.921 -2.677 1.00 1.00 H new ATOM 0 HG LEU A 718 31.844 17.973 -4.113 1.00 1.00 H new ATOM 0 HD11 LEU A 718 29.820 17.274 -5.384 1.00 1.00 H new ATOM 0 HD12 LEU A 718 29.648 16.910 -3.650 1.00 1.00 H new ATOM 0 HD13 LEU A 718 28.816 18.319 -4.350 1.00 1.00 H new ATOM 0 HD21 LEU A 718 31.148 19.240 -6.130 1.00 1.00 H new ATOM 0 HD22 LEU A 718 30.148 20.305 -5.115 1.00 1.00 H new ATOM 0 HD23 LEU A 718 31.918 20.307 -4.932 1.00 1.00 H new ATOM 536 N ILE A 719 31.784 20.110 0.130 1.00 1.00 N ATOM 537 CA ILE A 719 31.577 20.878 1.350 1.00 1.00 C ATOM 538 C ILE A 719 32.852 21.624 1.683 1.00 1.00 C ATOM 539 O ILE A 719 32.821 22.802 2.043 1.00 1.00 O ATOM 540 CB ILE A 719 31.128 19.978 2.520 1.00 1.00 C ATOM 541 CG1 ILE A 719 30.256 20.794 3.486 1.00 1.00 C ATOM 542 CG2 ILE A 719 32.337 19.451 3.295 1.00 1.00 C ATOM 543 CD1 ILE A 719 28.897 21.109 2.846 1.00 1.00 C ATOM 0 H ILE A 719 31.843 19.100 0.260 1.00 1.00 H new ATOM 0 HA ILE A 719 30.773 21.595 1.187 1.00 1.00 H new ATOM 0 HB ILE A 719 30.568 19.138 2.109 1.00 1.00 H new ATOM 0 HG12 ILE A 719 30.109 20.237 4.411 1.00 1.00 H new ATOM 0 HG13 ILE A 719 30.764 21.721 3.750 1.00 1.00 H new ATOM 0 HG21 ILE A 719 31.996 18.819 4.115 1.00 1.00 H new ATOM 0 HG22 ILE A 719 32.971 18.868 2.627 1.00 1.00 H new ATOM 0 HG23 ILE A 719 32.906 20.290 3.696 1.00 1.00 H new ATOM 0 HD11 ILE A 719 28.292 21.688 3.544 1.00 1.00 H new ATOM 0 HD12 ILE A 719 29.049 21.685 1.933 1.00 1.00 H new ATOM 0 HD13 ILE A 719 28.383 20.178 2.606 1.00 1.00 H new ATOM 555 N THR A 720 33.983 20.939 1.522 1.00 1.00 N ATOM 556 CA THR A 720 35.269 21.569 1.772 1.00 1.00 C ATOM 557 C THR A 720 35.464 22.705 0.783 1.00 1.00 C ATOM 558 O THR A 720 35.875 23.805 1.154 1.00 1.00 O ATOM 559 CB THR A 720 36.406 20.556 1.627 1.00 1.00 C ATOM 560 OG1 THR A 720 36.244 19.522 2.588 1.00 1.00 O ATOM 561 CG2 THR A 720 37.746 21.257 1.855 1.00 1.00 C ATOM 0 H THR A 720 34.032 19.965 1.225 1.00 1.00 H new ATOM 0 HA THR A 720 35.283 21.955 2.791 1.00 1.00 H new ATOM 0 HB THR A 720 36.385 20.128 0.625 1.00 1.00 H new ATOM 0 HG1 THR A 720 35.423 19.022 2.395 1.00 1.00 H new ATOM 0 HG21 THR A 720 38.556 20.535 1.752 1.00 1.00 H new ATOM 0 HG22 THR A 720 37.871 22.051 1.119 1.00 1.00 H new ATOM 0 HG23 THR A 720 37.767 21.685 2.857 1.00 1.00 H new ATOM 569 N ILE A 721 35.149 22.436 -0.483 1.00 1.00 N ATOM 570 CA ILE A 721 35.285 23.469 -1.516 1.00 1.00 C ATOM 571 C ILE A 721 34.328 24.633 -1.257 1.00 1.00 C ATOM 572 O ILE A 721 34.701 25.799 -1.381 1.00 1.00 O ATOM 573 CB ILE A 721 35.037 22.886 -2.910 1.00 1.00 C ATOM 574 CG1 ILE A 721 36.202 21.956 -3.292 1.00 1.00 C ATOM 575 CG2 ILE A 721 34.918 24.024 -3.927 1.00 1.00 C ATOM 576 CD1 ILE A 721 37.305 22.749 -4.002 1.00 1.00 C ATOM 0 H ILE A 721 34.806 21.535 -0.816 1.00 1.00 H new ATOM 0 HA ILE A 721 36.307 23.845 -1.473 1.00 1.00 H new ATOM 0 HB ILE A 721 34.110 22.313 -2.908 1.00 1.00 H new ATOM 0 HG12 ILE A 721 36.605 21.480 -2.398 1.00 1.00 H new ATOM 0 HG13 ILE A 721 35.842 21.159 -3.942 1.00 1.00 H new ATOM 0 HG21 ILE A 721 34.742 23.608 -4.919 1.00 1.00 H new ATOM 0 HG22 ILE A 721 34.086 24.672 -3.652 1.00 1.00 H new ATOM 0 HG23 ILE A 721 35.842 24.603 -3.935 1.00 1.00 H new ATOM 0 HD11 ILE A 721 38.123 22.078 -4.266 1.00 1.00 H new ATOM 0 HD12 ILE A 721 36.901 23.203 -4.907 1.00 1.00 H new ATOM 0 HD13 ILE A 721 37.676 23.530 -3.338 1.00 1.00 H new ATOM 588 N HIS A 722 33.095 24.298 -0.896 1.00 1.00 N ATOM 589 CA HIS A 722 32.090 25.320 -0.620 1.00 1.00 C ATOM 590 C HIS A 722 32.541 26.207 0.537 1.00 1.00 C ATOM 591 O HIS A 722 32.331 27.419 0.520 1.00 1.00 O ATOM 592 CB HIS A 722 30.751 24.667 -0.272 1.00 1.00 C ATOM 593 CG HIS A 722 29.920 24.533 -1.519 1.00 1.00 C ATOM 594 ND1 HIS A 722 30.058 23.459 -2.385 1.00 1.00 N ATOM 595 CD2 HIS A 722 28.937 25.325 -2.059 1.00 1.00 C ATOM 596 CE1 HIS A 722 29.180 23.633 -3.389 1.00 1.00 C ATOM 597 NE2 HIS A 722 28.472 24.756 -3.240 1.00 1.00 N ATOM 0 H HIS A 722 32.768 23.338 -0.788 1.00 1.00 H new ATOM 0 HA HIS A 722 31.968 25.932 -1.514 1.00 1.00 H new ATOM 0 HB2 HIS A 722 30.917 23.687 0.174 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.222 25.268 0.468 1.00 1.00 H new ATOM 0 HD1 HIS A 722 30.707 22.679 -2.280 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.579 26.250 -1.631 1.00 1.00 H new ATOM 0 HE1 HIS A 722 29.062 22.948 -4.215 1.00 1.00 H new ATOM 605 N ASP A 723 33.172 25.596 1.536 1.00 1.00 N ATOM 606 CA ASP A 723 33.662 26.337 2.693 1.00 1.00 C ATOM 607 C ASP A 723 34.951 27.077 2.346 1.00 1.00 C ATOM 608 O ASP A 723 35.784 26.571 1.594 1.00 1.00 O ATOM 609 CB ASP A 723 33.918 25.380 3.857 1.00 1.00 C ATOM 610 CG ASP A 723 32.594 24.855 4.402 1.00 1.00 C ATOM 611 OD1 ASP A 723 31.570 25.429 4.070 1.00 1.00 O ATOM 612 OD2 ASP A 723 32.623 23.886 5.143 1.00 1.00 O ATOM 0 H ASP A 723 33.355 24.593 1.567 1.00 1.00 H new ATOM 0 HA ASP A 723 32.904 27.065 2.983 1.00 1.00 H new ATOM 0 HB2 ASP A 723 34.539 24.548 3.525 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.468 25.893 4.646 1.00 1.00 H new ATOM 617 N ARG A 724 35.108 28.274 2.901 1.00 1.00 N ATOM 618 CA ARG A 724 36.301 29.074 2.645 1.00 1.00 C ATOM 619 C ARG A 724 36.782 29.746 3.927 1.00 1.00 C ATOM 620 O ARG A 724 35.989 30.020 4.829 1.00 1.00 O ATOM 621 CB ARG A 724 36.001 30.132 1.577 1.00 1.00 C ATOM 622 CG ARG A 724 34.927 31.101 2.082 1.00 1.00 C ATOM 623 CD ARG A 724 34.625 32.136 0.997 1.00 1.00 C ATOM 624 NE ARG A 724 33.631 33.091 1.474 1.00 1.00 N ATOM 625 CZ ARG A 724 32.988 33.892 0.630 1.00 1.00 C ATOM 626 NH1 ARG A 724 33.242 33.832 -0.649 1.00 1.00 N ATOM 627 NH2 ARG A 724 32.103 34.739 1.081 1.00 1.00 N ATOM 0 H ARG A 724 34.430 28.709 3.526 1.00 1.00 H new ATOM 0 HA ARG A 724 37.091 28.415 2.284 1.00 1.00 H new ATOM 0 HB2 ARG A 724 36.910 30.681 1.332 1.00 1.00 H new ATOM 0 HB3 ARG A 724 35.664 29.649 0.660 1.00 1.00 H new ATOM 0 HG2 ARG A 724 34.020 30.554 2.340 1.00 1.00 H new ATOM 0 HG3 ARG A 724 35.268 31.599 2.990 1.00 1.00 H new ATOM 0 HD2 ARG A 724 35.540 32.660 0.720 1.00 1.00 H new ATOM 0 HD3 ARG A 724 34.259 31.637 0.100 1.00 1.00 H new ATOM 0 HE ARG A 724 33.426 33.145 2.472 1.00 1.00 H new ATOM 0 HH11 ARG A 724 33.934 33.170 -1.001 1.00 1.00 H new ATOM 0 HH12 ARG A 724 32.749 34.447 -1.296 1.00 1.00 H new ATOM 0 HH21 ARG A 724 31.905 34.786 2.081 1.00 1.00 H new ATOM 0 HH22 ARG A 724 31.609 35.354 0.434 1.00 1.00 H new ATOM 641 N LYS A 725 38.084 30.007 3.999 1.00 1.00 N ATOM 642 CA LYS A 725 38.668 30.646 5.176 1.00 1.00 C ATOM 643 C LYS A 725 39.484 31.869 4.772 1.00 1.00 C ATOM 644 O LYS A 725 40.127 31.879 3.721 1.00 1.00 O ATOM 645 CB LYS A 725 39.566 29.655 5.916 1.00 1.00 C ATOM 646 CG LYS A 725 38.712 28.521 6.488 1.00 1.00 C ATOM 647 CD LYS A 725 39.610 27.529 7.231 1.00 1.00 C ATOM 648 CE LYS A 725 38.750 26.428 7.853 1.00 1.00 C ATOM 649 NZ LYS A 725 38.059 25.668 6.772 1.00 1.00 N ATOM 0 H LYS A 725 38.753 29.788 3.261 1.00 1.00 H new ATOM 0 HA LYS A 725 37.858 30.964 5.833 1.00 1.00 H new ATOM 0 HB2 LYS A 725 40.317 29.252 5.237 1.00 1.00 H new ATOM 0 HB3 LYS A 725 40.101 30.162 6.719 1.00 1.00 H new ATOM 0 HG2 LYS A 725 37.960 28.925 7.166 1.00 1.00 H new ATOM 0 HG3 LYS A 725 38.178 28.013 5.685 1.00 1.00 H new ATOM 0 HD2 LYS A 725 40.335 27.094 6.544 1.00 1.00 H new ATOM 0 HD3 LYS A 725 40.176 28.045 8.007 1.00 1.00 H new ATOM 0 HE2 LYS A 725 39.372 25.756 8.444 1.00 1.00 H new ATOM 0 HE3 LYS A 725 38.017 26.864 8.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 37.729 24.755 7.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 37.245 26.216 6.428 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 38.721 25.502 5.987 1.00 1.00 H new ATOM 663 N GLU A 726 39.455 32.898 5.616 1.00 1.00 N ATOM 664 CA GLU A 726 40.195 34.128 5.348 1.00 1.00 C ATOM 665 C GLU A 726 41.259 34.355 6.416 1.00 1.00 C ATOM 666 O GLU A 726 40.965 34.342 7.611 1.00 1.00 O ATOM 667 CB GLU A 726 39.234 35.319 5.321 1.00 1.00 C ATOM 668 CG GLU A 726 38.313 35.204 4.106 1.00 1.00 C ATOM 669 CD GLU A 726 37.294 36.338 4.115 1.00 1.00 C ATOM 670 OE1 GLU A 726 37.352 37.153 5.021 1.00 1.00 O ATOM 671 OE2 GLU A 726 36.470 36.376 3.215 1.00 1.00 O ATOM 0 H GLU A 726 38.928 32.904 6.489 1.00 1.00 H new ATOM 0 HA GLU A 726 40.684 34.033 4.378 1.00 1.00 H new ATOM 0 HB2 GLU A 726 38.644 35.344 6.237 1.00 1.00 H new ATOM 0 HB3 GLU A 726 39.796 36.252 5.278 1.00 1.00 H new ATOM 0 HG2 GLU A 726 38.901 35.240 3.189 1.00 1.00 H new ATOM 0 HG3 GLU A 726 37.800 34.243 4.118 1.00 1.00 H new ATOM 678 N PHE A 727 42.496 34.565 5.977 1.00 1.00 N ATOM 679 CA PHE A 727 43.596 34.796 6.907 1.00 1.00 C ATOM 680 C PHE A 727 44.799 35.385 6.178 1.00 1.00 C ATOM 681 O PHE A 727 45.806 35.616 6.827 1.00 1.00 O ATOM 682 CB PHE A 727 43.997 33.481 7.579 1.00 1.00 C ATOM 683 CG PHE A 727 44.507 32.517 6.534 1.00 1.00 C ATOM 684 CD1 PHE A 727 43.619 31.646 5.891 1.00 1.00 C ATOM 685 CD2 PHE A 727 45.869 32.493 6.210 1.00 1.00 C ATOM 686 CE1 PHE A 727 44.092 30.752 4.924 1.00 1.00 C ATOM 687 CE2 PHE A 727 46.342 31.598 5.242 1.00 1.00 C ATOM 688 CZ PHE A 727 45.453 30.728 4.599 1.00 1.00 C ATOM 689 OXT PHE A 727 44.698 35.594 4.980 1.00 1.00 O ATOM 0 H PHE A 727 42.761 34.580 4.992 1.00 1.00 H new ATOM 0 HA PHE A 727 43.263 35.504 7.666 1.00 1.00 H new ATOM 0 HB2 PHE A 727 44.768 33.663 8.328 1.00 1.00 H new ATOM 0 HB3 PHE A 727 43.142 33.051 8.100 1.00 1.00 H new ATOM 0 HD1 PHE A 727 42.569 31.664 6.141 1.00 1.00 H new ATOM 0 HD2 PHE A 727 46.554 33.164 6.706 1.00 1.00 H new ATOM 0 HE1 PHE A 727 43.407 30.080 4.428 1.00 1.00 H new ATOM 0 HE2 PHE A 727 47.392 31.579 4.992 1.00 1.00 H new ATOM 0 HZ PHE A 727 45.818 30.038 3.852 1.00 1.00 H new TER 699 PHE A 727