USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 687 SER OG : rot 180:sc= -0.267 USER MOD Single : A 689 LYS NZ :NH3+ 165:sc= -0.0383 (180deg=-0.318) USER MOD Single : A 699 SER OG : rot 78:sc= 1.17 USER MOD Single : A 701 MET CE :methyl 156:sc= -0.156 (180deg=-1.07) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 87:sc= 0.482 USER MOD Single : A 722 HIS : no HE2:sc= 0.629 K(o=0.63,f=-8.5!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 42.004 -5.943 -30.488 1.00 1.00 N ATOM 2 CA PRO A 685 43.284 -5.596 -31.149 1.00 1.00 C ATOM 3 C PRO A 685 44.347 -6.624 -30.777 1.00 1.00 C ATOM 4 O PRO A 685 44.791 -7.402 -31.620 1.00 1.00 O ATOM 5 CB PRO A 685 43.710 -4.211 -30.680 1.00 1.00 C ATOM 6 CG PRO A 685 42.705 -3.810 -29.645 1.00 1.00 C ATOM 7 CD PRO A 685 41.486 -4.736 -29.786 1.00 1.00 C ATOM 0 HA PRO A 685 43.161 -5.597 -32.232 1.00 1.00 H new ATOM 0 HB2 PRO A 685 44.717 -4.231 -30.262 1.00 1.00 H new ATOM 0 HB3 PRO A 685 43.723 -3.503 -31.509 1.00 1.00 H new ATOM 0 HG2 PRO A 685 43.133 -3.892 -28.646 1.00 1.00 H new ATOM 0 HG3 PRO A 685 42.411 -2.769 -29.781 1.00 1.00 H new ATOM 0 HD2 PRO A 685 41.070 -4.993 -28.812 1.00 1.00 H new ATOM 0 HD3 PRO A 685 40.690 -4.258 -30.357 1.00 1.00 H new ATOM 17 N GLU A 686 44.749 -6.620 -29.508 1.00 1.00 N ATOM 18 CA GLU A 686 45.761 -7.563 -29.037 1.00 1.00 C ATOM 19 C GLU A 686 45.199 -8.975 -29.053 1.00 1.00 C ATOM 20 O GLU A 686 45.896 -9.930 -29.394 1.00 1.00 O ATOM 21 CB GLU A 686 46.198 -7.218 -27.612 1.00 1.00 C ATOM 22 CG GLU A 686 46.928 -5.876 -27.600 1.00 1.00 C ATOM 23 CD GLU A 686 47.303 -5.511 -26.170 1.00 1.00 C ATOM 24 OE1 GLU A 686 47.123 -6.348 -25.301 1.00 1.00 O ATOM 25 OE2 GLU A 686 47.768 -4.404 -25.965 1.00 1.00 O ATOM 0 H GLU A 686 44.395 -5.983 -28.795 1.00 1.00 H new ATOM 0 HA GLU A 686 46.623 -7.498 -29.701 1.00 1.00 H new ATOM 0 HB2 GLU A 686 45.328 -7.174 -26.957 1.00 1.00 H new ATOM 0 HB3 GLU A 686 46.851 -8.000 -27.224 1.00 1.00 H new ATOM 0 HG2 GLU A 686 47.824 -5.932 -28.218 1.00 1.00 H new ATOM 0 HG3 GLU A 686 46.293 -5.101 -28.029 1.00 1.00 H new ATOM 32 N SER A 687 43.931 -9.092 -28.679 1.00 1.00 N ATOM 33 CA SER A 687 43.270 -10.387 -28.651 1.00 1.00 C ATOM 34 C SER A 687 41.900 -10.281 -29.312 1.00 1.00 C ATOM 35 O SER A 687 41.451 -9.179 -29.638 1.00 1.00 O ATOM 36 CB SER A 687 43.118 -10.871 -27.206 1.00 1.00 C ATOM 37 OG SER A 687 43.703 -12.161 -27.078 1.00 1.00 O ATOM 0 H SER A 687 43.344 -8.309 -28.392 1.00 1.00 H new ATOM 0 HA SER A 687 43.877 -11.107 -29.200 1.00 1.00 H new ATOM 0 HB2 SER A 687 43.600 -10.171 -26.523 1.00 1.00 H new ATOM 0 HB3 SER A 687 42.064 -10.908 -26.932 1.00 1.00 H new ATOM 0 HG SER A 687 43.609 -12.473 -26.154 1.00 1.00 H new ATOM 43 N PRO A 688 41.225 -11.383 -29.516 1.00 1.00 N ATOM 44 CA PRO A 688 39.881 -11.371 -30.152 1.00 1.00 C ATOM 45 C PRO A 688 38.895 -10.554 -29.332 1.00 1.00 C ATOM 46 O PRO A 688 38.941 -10.561 -28.102 1.00 1.00 O ATOM 47 CB PRO A 688 39.449 -12.843 -30.187 1.00 1.00 C ATOM 48 CG PRO A 688 40.665 -13.656 -29.880 1.00 1.00 C ATOM 49 CD PRO A 688 41.662 -12.744 -29.170 1.00 1.00 C ATOM 0 HA PRO A 688 39.908 -10.919 -31.144 1.00 1.00 H new ATOM 0 HB2 PRO A 688 38.662 -13.033 -29.457 1.00 1.00 H new ATOM 0 HB3 PRO A 688 39.046 -13.105 -31.165 1.00 1.00 H new ATOM 0 HG2 PRO A 688 40.408 -14.507 -29.249 1.00 1.00 H new ATOM 0 HG3 PRO A 688 41.098 -14.058 -30.796 1.00 1.00 H new ATOM 0 HD2 PRO A 688 41.648 -12.904 -28.092 1.00 1.00 H new ATOM 0 HD3 PRO A 688 42.682 -12.932 -29.507 1.00 1.00 H new ATOM 57 N LYS A 689 37.995 -9.864 -30.016 1.00 1.00 N ATOM 58 CA LYS A 689 36.995 -9.060 -29.334 1.00 1.00 C ATOM 59 C LYS A 689 37.598 -8.318 -28.149 1.00 1.00 C ATOM 60 O LYS A 689 38.183 -7.244 -28.307 1.00 1.00 O ATOM 61 CB LYS A 689 35.872 -9.972 -28.859 1.00 1.00 C ATOM 62 CG LYS A 689 35.094 -10.469 -30.076 1.00 1.00 C ATOM 63 CD LYS A 689 33.975 -11.399 -29.616 1.00 1.00 C ATOM 64 CE LYS A 689 33.111 -11.806 -30.814 1.00 1.00 C ATOM 65 NZ LYS A 689 33.936 -12.556 -31.808 1.00 1.00 N ATOM 0 H LYS A 689 37.937 -9.845 -31.034 1.00 1.00 H new ATOM 0 HA LYS A 689 36.607 -8.316 -30.029 1.00 1.00 H new ATOM 0 HB2 LYS A 689 36.281 -10.815 -28.302 1.00 1.00 H new ATOM 0 HB3 LYS A 689 35.209 -9.433 -28.181 1.00 1.00 H new ATOM 0 HG2 LYS A 689 34.678 -9.624 -30.625 1.00 1.00 H new ATOM 0 HG3 LYS A 689 35.762 -10.995 -30.758 1.00 1.00 H new ATOM 0 HD2 LYS A 689 34.398 -12.286 -29.144 1.00 1.00 H new ATOM 0 HD3 LYS A 689 33.361 -10.900 -28.866 1.00 1.00 H new ATOM 0 HE2 LYS A 689 32.279 -12.425 -30.479 1.00 1.00 H new ATOM 0 HE3 LYS A 689 32.681 -10.920 -31.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 33.311 -13.043 -32.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 34.549 -11.892 -32.323 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 34.524 -13.257 -31.313 1.00 1.00 H new ATOM 79 N GLY A 690 37.457 -8.892 -26.961 1.00 1.00 N ATOM 80 CA GLY A 690 37.998 -8.265 -25.763 1.00 1.00 C ATOM 81 C GLY A 690 37.470 -8.940 -24.506 1.00 1.00 C ATOM 82 O GLY A 690 36.578 -9.786 -24.567 1.00 1.00 O ATOM 0 H GLY A 690 36.979 -9.779 -26.802 1.00 1.00 H new ATOM 0 HA2 GLY A 690 39.086 -8.321 -25.780 1.00 1.00 H new ATOM 0 HA3 GLY A 690 37.733 -7.208 -25.751 1.00 1.00 H new ATOM 86 N PRO A 691 38.010 -8.580 -23.379 1.00 1.00 N ATOM 87 CA PRO A 691 37.601 -9.149 -22.063 1.00 1.00 C ATOM 88 C PRO A 691 36.229 -8.651 -21.617 1.00 1.00 C ATOM 89 O PRO A 691 35.823 -7.541 -21.961 1.00 1.00 O ATOM 90 CB PRO A 691 38.703 -8.673 -21.118 1.00 1.00 C ATOM 91 CG PRO A 691 39.212 -7.408 -21.722 1.00 1.00 C ATOM 92 CD PRO A 691 39.074 -7.573 -23.234 1.00 1.00 C ATOM 0 HA PRO A 691 37.498 -10.234 -22.093 1.00 1.00 H new ATOM 0 HB2 PRO A 691 38.315 -8.502 -20.114 1.00 1.00 H new ATOM 0 HB3 PRO A 691 39.496 -9.416 -21.031 1.00 1.00 H new ATOM 0 HG2 PRO A 691 38.639 -6.550 -21.370 1.00 1.00 H new ATOM 0 HG3 PRO A 691 40.251 -7.234 -21.443 1.00 1.00 H new ATOM 0 HD2 PRO A 691 38.805 -6.633 -23.716 1.00 1.00 H new ATOM 0 HD3 PRO A 691 40.007 -7.908 -23.687 1.00 1.00 H new ATOM 100 N ASP A 692 35.521 -9.475 -20.848 1.00 1.00 N ATOM 101 CA ASP A 692 34.196 -9.101 -20.357 1.00 1.00 C ATOM 102 C ASP A 692 34.006 -9.557 -18.917 1.00 1.00 C ATOM 103 O ASP A 692 33.558 -8.791 -18.065 1.00 1.00 O ATOM 104 CB ASP A 692 33.105 -9.733 -21.222 1.00 1.00 C ATOM 105 CG ASP A 692 33.064 -9.059 -22.587 1.00 1.00 C ATOM 106 OD1 ASP A 692 33.647 -7.995 -22.720 1.00 1.00 O ATOM 107 OD2 ASP A 692 32.445 -9.616 -23.480 1.00 1.00 O ATOM 0 H ASP A 692 35.839 -10.398 -20.553 1.00 1.00 H new ATOM 0 HA ASP A 692 34.120 -8.015 -20.407 1.00 1.00 H new ATOM 0 HB2 ASP A 692 33.296 -10.800 -21.340 1.00 1.00 H new ATOM 0 HB3 ASP A 692 32.137 -9.635 -20.730 1.00 1.00 H new ATOM 112 N ILE A 693 34.364 -10.804 -18.647 1.00 1.00 N ATOM 113 CA ILE A 693 34.235 -11.322 -17.295 1.00 1.00 C ATOM 114 C ILE A 693 35.014 -10.420 -16.348 1.00 1.00 C ATOM 115 O ILE A 693 34.701 -10.326 -15.161 1.00 1.00 O ATOM 116 CB ILE A 693 34.745 -12.759 -17.237 1.00 1.00 C ATOM 117 CG1 ILE A 693 36.194 -12.817 -17.737 1.00 1.00 C ATOM 118 CG2 ILE A 693 33.860 -13.630 -18.126 1.00 1.00 C ATOM 119 CD1 ILE A 693 36.735 -14.236 -17.554 1.00 1.00 C ATOM 0 H ILE A 693 34.738 -11.463 -19.330 1.00 1.00 H new ATOM 0 HA ILE A 693 33.188 -11.330 -16.993 1.00 1.00 H new ATOM 0 HB ILE A 693 34.711 -13.121 -16.210 1.00 1.00 H new ATOM 0 HG12 ILE A 693 36.240 -12.530 -18.788 1.00 1.00 H new ATOM 0 HG13 ILE A 693 36.810 -12.107 -17.186 1.00 1.00 H new ATOM 0 HG21 ILE A 693 34.214 -14.660 -18.094 1.00 1.00 H new ATOM 0 HG22 ILE A 693 32.831 -13.588 -17.768 1.00 1.00 H new ATOM 0 HG23 ILE A 693 33.902 -13.264 -19.152 1.00 1.00 H new ATOM 0 HD11 ILE A 693 37.765 -14.281 -17.908 1.00 1.00 H new ATOM 0 HD12 ILE A 693 36.702 -14.504 -16.498 1.00 1.00 H new ATOM 0 HD13 ILE A 693 36.124 -14.935 -18.125 1.00 1.00 H new ATOM 131 N LEU A 694 36.039 -9.765 -16.883 1.00 1.00 N ATOM 132 CA LEU A 694 36.868 -8.877 -16.080 1.00 1.00 C ATOM 133 C LEU A 694 36.056 -7.705 -15.532 1.00 1.00 C ATOM 134 O LEU A 694 36.227 -7.314 -14.377 1.00 1.00 O ATOM 135 CB LEU A 694 38.030 -8.348 -16.930 1.00 1.00 C ATOM 136 CG LEU A 694 38.901 -7.381 -16.113 1.00 1.00 C ATOM 137 CD1 LEU A 694 39.438 -8.083 -14.864 1.00 1.00 C ATOM 138 CD2 LEU A 694 40.083 -6.923 -16.969 1.00 1.00 C ATOM 0 H LEU A 694 36.313 -9.832 -17.863 1.00 1.00 H new ATOM 0 HA LEU A 694 37.256 -9.445 -15.235 1.00 1.00 H new ATOM 0 HB2 LEU A 694 38.637 -9.181 -17.285 1.00 1.00 H new ATOM 0 HB3 LEU A 694 37.641 -7.839 -17.812 1.00 1.00 H new ATOM 0 HG LEU A 694 38.296 -6.525 -15.814 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.054 -7.388 -14.293 1.00 1.00 H new ATOM 0 HD12 LEU A 694 38.604 -8.419 -14.248 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.040 -8.942 -15.160 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.704 -6.236 -16.394 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.676 -7.789 -17.264 1.00 1.00 H new ATOM 0 HD23 LEU A 694 39.712 -6.417 -17.860 1.00 1.00 H new ATOM 150 N VAL A 695 35.187 -7.138 -16.364 1.00 1.00 N ATOM 151 CA VAL A 695 34.372 -5.998 -15.953 1.00 1.00 C ATOM 152 C VAL A 695 33.441 -6.374 -14.801 1.00 1.00 C ATOM 153 O VAL A 695 33.301 -5.625 -13.836 1.00 1.00 O ATOM 154 CB VAL A 695 33.541 -5.501 -17.135 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.621 -4.371 -16.672 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.472 -4.983 -18.234 1.00 1.00 C ATOM 0 H VAL A 695 35.029 -7.447 -17.323 1.00 1.00 H new ATOM 0 HA VAL A 695 35.042 -5.208 -15.614 1.00 1.00 H new ATOM 0 HB VAL A 695 32.940 -6.322 -17.526 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.028 -4.016 -17.515 1.00 1.00 H new ATOM 0 HG12 VAL A 695 31.957 -4.740 -15.891 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.222 -3.550 -16.280 1.00 1.00 H new ATOM 0 HG21 VAL A 695 33.878 -4.629 -19.077 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.074 -4.162 -17.844 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.127 -5.788 -18.565 1.00 1.00 H new ATOM 166 N VAL A 696 32.810 -7.537 -14.917 1.00 1.00 N ATOM 167 CA VAL A 696 31.885 -8.015 -13.894 1.00 1.00 C ATOM 168 C VAL A 696 32.615 -8.339 -12.596 1.00 1.00 C ATOM 169 O VAL A 696 32.134 -8.005 -11.511 1.00 1.00 O ATOM 170 CB VAL A 696 31.163 -9.273 -14.394 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.319 -9.860 -13.263 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.254 -8.926 -15.579 1.00 1.00 C ATOM 0 H VAL A 696 32.922 -8.168 -15.711 1.00 1.00 H new ATOM 0 HA VAL A 696 31.163 -7.222 -13.697 1.00 1.00 H new ATOM 0 HB VAL A 696 31.906 -10.002 -14.717 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.806 -10.754 -13.618 1.00 1.00 H new ATOM 0 HG12 VAL A 696 30.965 -10.121 -12.425 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.583 -9.124 -12.938 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.747 -9.827 -15.925 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.513 -8.190 -15.266 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.855 -8.514 -16.390 1.00 1.00 H new ATOM 182 N LEU A 697 33.767 -8.992 -12.700 1.00 1.00 N ATOM 183 CA LEU A 697 34.522 -9.345 -11.504 1.00 1.00 C ATOM 184 C LEU A 697 34.954 -8.087 -10.739 1.00 1.00 C ATOM 185 O LEU A 697 34.840 -8.036 -9.514 1.00 1.00 O ATOM 186 CB LEU A 697 35.755 -10.171 -11.899 1.00 1.00 C ATOM 187 CG LEU A 697 36.561 -10.566 -10.655 1.00 1.00 C ATOM 188 CD1 LEU A 697 35.690 -11.402 -9.717 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.777 -11.393 -11.079 1.00 1.00 C ATOM 0 H LEU A 697 34.192 -9.283 -13.581 1.00 1.00 H new ATOM 0 HA LEU A 697 33.882 -9.937 -10.850 1.00 1.00 H new ATOM 0 HB2 LEU A 697 35.443 -11.067 -12.436 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.383 -9.595 -12.578 1.00 1.00 H new ATOM 0 HG LEU A 697 36.888 -9.663 -10.139 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.267 -11.680 -8.835 1.00 1.00 H new ATOM 0 HD12 LEU A 697 34.820 -10.820 -9.413 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.360 -12.303 -10.234 1.00 1.00 H new ATOM 0 HD21 LEU A 697 38.351 -11.675 -10.196 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.443 -12.292 -11.597 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.404 -10.802 -11.746 1.00 1.00 H new ATOM 201 N LEU A 698 35.452 -7.078 -11.452 1.00 1.00 N ATOM 202 CA LEU A 698 35.892 -5.844 -10.797 1.00 1.00 C ATOM 203 C LEU A 698 34.718 -5.127 -10.142 1.00 1.00 C ATOM 204 O LEU A 698 34.832 -4.610 -9.032 1.00 1.00 O ATOM 205 CB LEU A 698 36.550 -4.909 -11.816 1.00 1.00 C ATOM 206 CG LEU A 698 37.897 -5.494 -12.258 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.439 -4.692 -13.441 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.904 -5.442 -11.100 1.00 1.00 C ATOM 0 H LEU A 698 35.561 -7.087 -12.466 1.00 1.00 H new ATOM 0 HA LEU A 698 36.615 -6.113 -10.027 1.00 1.00 H new ATOM 0 HB2 LEU A 698 35.898 -4.779 -12.680 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.697 -3.922 -11.377 1.00 1.00 H new ATOM 0 HG LEU A 698 37.751 -6.533 -12.555 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.396 -5.108 -13.755 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.732 -4.743 -14.269 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.575 -3.652 -13.144 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.856 -5.860 -11.427 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.049 -4.407 -10.790 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.522 -6.022 -10.260 1.00 1.00 H new ATOM 220 N SER A 699 33.596 -5.088 -10.845 1.00 1.00 N ATOM 221 CA SER A 699 32.417 -4.413 -10.319 1.00 1.00 C ATOM 222 C SER A 699 31.998 -5.015 -8.980 1.00 1.00 C ATOM 223 O SER A 699 31.730 -4.285 -8.023 1.00 1.00 O ATOM 224 CB SER A 699 31.265 -4.534 -11.314 1.00 1.00 C ATOM 225 OG SER A 699 31.609 -3.862 -12.520 1.00 1.00 O ATOM 0 H SER A 699 33.476 -5.508 -11.767 1.00 1.00 H new ATOM 0 HA SER A 699 32.663 -3.362 -10.167 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.054 -5.584 -11.517 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.358 -4.103 -10.891 1.00 1.00 H new ATOM 0 HG SER A 699 32.213 -4.425 -13.047 1.00 1.00 H new ATOM 231 N VAL A 700 31.955 -6.342 -8.905 1.00 1.00 N ATOM 232 CA VAL A 700 31.580 -7.007 -7.658 1.00 1.00 C ATOM 233 C VAL A 700 32.595 -6.665 -6.569 1.00 1.00 C ATOM 234 O VAL A 700 32.227 -6.340 -5.440 1.00 1.00 O ATOM 235 CB VAL A 700 31.544 -8.524 -7.857 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.346 -9.212 -6.503 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.384 -8.898 -8.784 1.00 1.00 C ATOM 0 H VAL A 700 32.171 -6.971 -9.678 1.00 1.00 H new ATOM 0 HA VAL A 700 30.590 -6.662 -7.360 1.00 1.00 H new ATOM 0 HB VAL A 700 32.485 -8.848 -8.302 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.320 -10.293 -6.644 1.00 1.00 H new ATOM 0 HG12 VAL A 700 32.170 -8.952 -5.839 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.406 -8.881 -6.061 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.363 -9.979 -8.922 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.444 -8.570 -8.341 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.519 -8.411 -9.750 1.00 1.00 H new ATOM 247 N MET A 701 33.875 -6.753 -6.917 1.00 1.00 N ATOM 248 CA MET A 701 34.938 -6.460 -5.960 1.00 1.00 C ATOM 249 C MET A 701 34.869 -5.014 -5.487 1.00 1.00 C ATOM 250 O MET A 701 35.104 -4.726 -4.313 1.00 1.00 O ATOM 251 CB MET A 701 36.308 -6.722 -6.594 1.00 1.00 C ATOM 252 CG MET A 701 36.595 -8.225 -6.585 1.00 1.00 C ATOM 253 SD MET A 701 38.170 -8.556 -7.419 1.00 1.00 S ATOM 254 CE MET A 701 39.259 -7.742 -6.221 1.00 1.00 C ATOM 0 H MET A 701 34.200 -7.022 -7.846 1.00 1.00 H new ATOM 0 HA MET A 701 34.801 -7.115 -5.100 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.326 -6.344 -7.616 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.083 -6.190 -6.043 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.633 -8.591 -5.559 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.789 -8.761 -7.085 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.260 -8.168 -6.291 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.304 -6.674 -6.437 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.870 -7.893 -5.214 1.00 1.00 H new ATOM 264 N GLY A 702 34.539 -4.108 -6.401 1.00 1.00 N ATOM 265 CA GLY A 702 34.438 -2.700 -6.053 1.00 1.00 C ATOM 266 C GLY A 702 33.360 -2.494 -4.997 1.00 1.00 C ATOM 267 O GLY A 702 33.560 -1.776 -4.020 1.00 1.00 O ATOM 0 H GLY A 702 34.339 -4.322 -7.378 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.397 -2.341 -5.679 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.203 -2.114 -6.942 1.00 1.00 H new ATOM 271 N ALA A 703 32.216 -3.125 -5.218 1.00 1.00 N ATOM 272 CA ALA A 703 31.089 -3.007 -4.297 1.00 1.00 C ATOM 273 C ALA A 703 31.468 -3.449 -2.887 1.00 1.00 C ATOM 274 O ALA A 703 31.054 -2.838 -1.902 1.00 1.00 O ATOM 275 CB ALA A 703 29.931 -3.863 -4.802 1.00 1.00 C ATOM 0 H ALA A 703 32.041 -3.724 -6.025 1.00 1.00 H new ATOM 0 HA ALA A 703 30.795 -1.958 -4.255 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.088 -3.777 -4.116 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.630 -3.520 -5.792 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.247 -4.905 -4.859 1.00 1.00 H new ATOM 281 N ILE A 704 32.246 -4.519 -2.795 1.00 1.00 N ATOM 282 CA ILE A 704 32.653 -5.025 -1.488 1.00 1.00 C ATOM 283 C ILE A 704 33.515 -4.001 -0.762 1.00 1.00 C ATOM 284 O ILE A 704 33.364 -3.787 0.436 1.00 1.00 O ATOM 285 CB ILE A 704 33.430 -6.338 -1.641 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.484 -7.417 -2.174 1.00 1.00 C ATOM 287 CG2 ILE A 704 33.977 -6.768 -0.272 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.287 -8.629 -2.654 1.00 1.00 C ATOM 0 H ILE A 704 32.603 -5.046 -3.592 1.00 1.00 H new ATOM 0 HA ILE A 704 31.754 -5.210 -0.901 1.00 1.00 H new ATOM 0 HB ILE A 704 34.259 -6.199 -2.335 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.787 -7.719 -1.392 1.00 1.00 H new ATOM 0 HG13 ILE A 704 31.889 -7.017 -2.995 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.530 -7.701 -0.378 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.641 -5.995 0.114 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.149 -6.914 0.421 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.605 -9.391 -3.031 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.966 -8.323 -3.450 1.00 1.00 H new ATOM 0 HD13 ILE A 704 33.862 -9.037 -1.823 1.00 1.00 H new ATOM 300 N LEU A 705 34.444 -3.396 -1.480 1.00 1.00 N ATOM 301 CA LEU A 705 35.341 -2.423 -0.872 1.00 1.00 C ATOM 302 C LEU A 705 34.589 -1.190 -0.362 1.00 1.00 C ATOM 303 O LEU A 705 34.862 -0.707 0.732 1.00 1.00 O ATOM 304 CB LEU A 705 36.394 -1.994 -1.888 1.00 1.00 C ATOM 305 CG LEU A 705 37.318 -3.178 -2.192 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.188 -2.836 -3.397 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.221 -3.487 -0.985 1.00 1.00 C ATOM 0 H LEU A 705 34.599 -3.557 -2.475 1.00 1.00 H new ATOM 0 HA LEU A 705 35.816 -2.900 -0.015 1.00 1.00 H new ATOM 0 HB2 LEU A 705 35.913 -1.649 -2.803 1.00 1.00 H new ATOM 0 HB3 LEU A 705 36.973 -1.157 -1.497 1.00 1.00 H new ATOM 0 HG LEU A 705 36.707 -4.055 -2.404 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.848 -3.674 -3.619 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.552 -2.636 -4.260 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.786 -1.952 -3.175 1.00 1.00 H new ATOM 0 HD21 LEU A 705 38.869 -4.331 -1.222 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.832 -2.614 -0.755 1.00 1.00 H new ATOM 0 HD23 LEU A 705 37.603 -3.735 -0.122 1.00 1.00 H new ATOM 319 N LEU A 706 33.653 -0.679 -1.158 1.00 1.00 N ATOM 320 CA LEU A 706 32.898 0.507 -0.754 1.00 1.00 C ATOM 321 C LEU A 706 32.020 0.252 0.467 1.00 1.00 C ATOM 322 O LEU A 706 31.925 1.108 1.349 1.00 1.00 O ATOM 323 CB LEU A 706 32.027 1.016 -1.904 1.00 1.00 C ATOM 324 CG LEU A 706 32.812 2.031 -2.743 1.00 1.00 C ATOM 325 CD1 LEU A 706 34.138 1.424 -3.200 1.00 1.00 C ATOM 326 CD2 LEU A 706 31.984 2.424 -3.968 1.00 1.00 C ATOM 0 H LEU A 706 33.401 -1.058 -2.071 1.00 1.00 H new ATOM 0 HA LEU A 706 33.636 1.264 -0.487 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.711 0.181 -2.529 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.123 1.479 -1.509 1.00 1.00 H new ATOM 0 HG LEU A 706 33.016 2.913 -2.136 1.00 1.00 H new ATOM 0 HD11 LEU A 706 34.687 2.154 -3.795 1.00 1.00 H new ATOM 0 HD12 LEU A 706 34.731 1.147 -2.328 1.00 1.00 H new ATOM 0 HD13 LEU A 706 33.944 0.537 -3.803 1.00 1.00 H new ATOM 0 HD21 LEU A 706 32.540 3.146 -4.567 1.00 1.00 H new ATOM 0 HD22 LEU A 706 31.778 1.537 -4.568 1.00 1.00 H new ATOM 0 HD23 LEU A 706 31.043 2.869 -3.644 1.00 1.00 H new ATOM 338 N ILE A 707 31.381 -0.913 0.533 1.00 1.00 N ATOM 339 CA ILE A 707 30.532 -1.210 1.681 1.00 1.00 C ATOM 340 C ILE A 707 31.395 -1.440 2.921 1.00 1.00 C ATOM 341 O ILE A 707 31.051 -1.001 4.018 1.00 1.00 O ATOM 342 CB ILE A 707 29.617 -2.422 1.410 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.323 -2.262 2.218 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.307 -3.725 1.820 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.401 -3.462 1.984 1.00 1.00 C ATOM 0 H ILE A 707 31.432 -1.647 -0.173 1.00 1.00 H new ATOM 0 HA ILE A 707 29.883 -0.352 1.858 1.00 1.00 H new ATOM 0 HB ILE A 707 29.397 -2.464 0.343 1.00 1.00 H new ATOM 0 HG12 ILE A 707 28.557 -2.175 3.279 1.00 1.00 H new ATOM 0 HG13 ILE A 707 27.816 -1.342 1.927 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.644 -4.566 1.620 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.227 -3.845 1.249 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.542 -3.693 2.884 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.486 -3.336 2.563 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.154 -3.530 0.925 1.00 1.00 H new ATOM 0 HD13 ILE A 707 27.906 -4.376 2.298 1.00 1.00 H new ATOM 357 N GLY A 708 32.522 -2.125 2.731 1.00 1.00 N ATOM 358 CA GLY A 708 33.425 -2.391 3.844 1.00 1.00 C ATOM 359 C GLY A 708 33.911 -1.087 4.463 1.00 1.00 C ATOM 360 O GLY A 708 33.944 -0.945 5.684 1.00 1.00 O ATOM 0 H GLY A 708 32.826 -2.499 1.832 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.915 -2.990 4.598 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.277 -2.975 3.496 1.00 1.00 H new ATOM 364 N LEU A 709 34.282 -0.134 3.618 1.00 1.00 N ATOM 365 CA LEU A 709 34.756 1.150 4.115 1.00 1.00 C ATOM 366 C LEU A 709 33.648 1.855 4.892 1.00 1.00 C ATOM 367 O LEU A 709 33.891 2.432 5.953 1.00 1.00 O ATOM 368 CB LEU A 709 35.211 2.034 2.949 1.00 1.00 C ATOM 369 CG LEU A 709 36.510 1.481 2.347 1.00 1.00 C ATOM 370 CD1 LEU A 709 36.861 2.270 1.087 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.662 1.609 3.351 1.00 1.00 C ATOM 0 H LEU A 709 34.265 -0.223 2.602 1.00 1.00 H new ATOM 0 HA LEU A 709 35.602 0.974 4.780 1.00 1.00 H new ATOM 0 HB2 LEU A 709 34.434 2.072 2.186 1.00 1.00 H new ATOM 0 HB3 LEU A 709 35.367 3.056 3.296 1.00 1.00 H new ATOM 0 HG LEU A 709 36.362 0.429 2.104 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.783 1.879 0.658 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.054 2.174 0.361 1.00 1.00 H new ATOM 0 HD13 LEU A 709 36.997 3.321 1.342 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.576 1.212 2.909 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.808 2.659 3.605 1.00 1.00 H new ATOM 0 HD23 LEU A 709 37.422 1.047 4.254 1.00 1.00 H new ATOM 383 N ALA A 710 32.435 1.811 4.358 1.00 1.00 N ATOM 384 CA ALA A 710 31.305 2.457 5.019 1.00 1.00 C ATOM 385 C ALA A 710 31.104 1.903 6.431 1.00 1.00 C ATOM 386 O ALA A 710 30.853 2.654 7.370 1.00 1.00 O ATOM 387 CB ALA A 710 30.032 2.216 4.209 1.00 1.00 C ATOM 0 H ALA A 710 32.208 1.342 3.481 1.00 1.00 H new ATOM 0 HA ALA A 710 31.516 3.524 5.086 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.189 2.699 4.704 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.153 2.632 3.209 1.00 1.00 H new ATOM 0 HB3 ALA A 710 29.845 1.145 4.136 1.00 1.00 H new ATOM 393 N ALA A 711 31.210 0.583 6.561 1.00 1.00 N ATOM 394 CA ALA A 711 31.020 -0.062 7.859 1.00 1.00 C ATOM 395 C ALA A 711 32.090 0.369 8.854 1.00 1.00 C ATOM 396 O ALA A 711 31.796 0.621 10.024 1.00 1.00 O ATOM 397 CB ALA A 711 31.065 -1.581 7.683 1.00 1.00 C ATOM 0 H ALA A 711 31.424 -0.055 5.794 1.00 1.00 H new ATOM 0 HA ALA A 711 30.050 0.241 8.253 1.00 1.00 H new ATOM 0 HB1 ALA A 711 30.924 -2.064 8.650 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.272 -1.892 7.003 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.031 -1.871 7.271 1.00 1.00 H new ATOM 403 N LEU A 712 33.328 0.448 8.391 1.00 1.00 N ATOM 404 CA LEU A 712 34.427 0.840 9.262 1.00 1.00 C ATOM 405 C LEU A 712 34.246 2.271 9.761 1.00 1.00 C ATOM 406 O LEU A 712 34.499 2.562 10.931 1.00 1.00 O ATOM 407 CB LEU A 712 35.759 0.717 8.514 1.00 1.00 C ATOM 408 CG LEU A 712 36.058 -0.761 8.237 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.302 -0.876 7.353 1.00 1.00 C ATOM 410 CD2 LEU A 712 36.300 -1.511 9.554 1.00 1.00 C ATOM 0 H LEU A 712 33.596 0.248 7.427 1.00 1.00 H new ATOM 0 HA LEU A 712 34.432 0.173 10.124 1.00 1.00 H new ATOM 0 HB2 LEU A 712 35.714 1.271 7.577 1.00 1.00 H new ATOM 0 HB3 LEU A 712 36.562 1.156 9.106 1.00 1.00 H new ATOM 0 HG LEU A 712 35.202 -1.203 7.728 1.00 1.00 H new ATOM 0 HD11 LEU A 712 37.513 -1.927 7.157 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.127 -0.359 6.409 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.153 -0.424 7.862 1.00 1.00 H new ATOM 0 HD21 LEU A 712 36.511 -2.559 9.342 1.00 1.00 H new ATOM 0 HD22 LEU A 712 37.149 -1.068 10.074 1.00 1.00 H new ATOM 0 HD23 LEU A 712 35.412 -1.439 10.182 1.00 1.00 H new ATOM 422 N LEU A 713 33.799 3.161 8.881 1.00 1.00 N ATOM 423 CA LEU A 713 33.582 4.556 9.253 1.00 1.00 C ATOM 424 C LEU A 713 32.411 4.705 10.227 1.00 1.00 C ATOM 425 O LEU A 713 32.486 5.469 11.189 1.00 1.00 O ATOM 426 CB LEU A 713 33.323 5.390 7.993 1.00 1.00 C ATOM 427 CG LEU A 713 34.618 5.514 7.174 1.00 1.00 C ATOM 428 CD1 LEU A 713 34.308 6.158 5.823 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.643 6.380 7.922 1.00 1.00 C ATOM 0 H LEU A 713 33.580 2.943 7.909 1.00 1.00 H new ATOM 0 HA LEU A 713 34.480 4.915 9.756 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.544 4.923 7.390 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.961 6.380 8.270 1.00 1.00 H new ATOM 0 HG LEU A 713 35.034 4.518 7.024 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.226 6.246 5.243 1.00 1.00 H new ATOM 0 HD12 LEU A 713 33.593 5.539 5.280 1.00 1.00 H new ATOM 0 HD13 LEU A 713 33.883 7.149 5.981 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.555 6.458 7.329 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.229 7.375 8.084 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.874 5.922 8.884 1.00 1.00 H new ATOM 441 N ILE A 714 31.337 3.961 9.984 1.00 1.00 N ATOM 442 CA ILE A 714 30.177 4.030 10.874 1.00 1.00 C ATOM 443 C ILE A 714 30.569 3.580 12.275 1.00 1.00 C ATOM 444 O ILE A 714 30.179 4.195 13.267 1.00 1.00 O ATOM 445 CB ILE A 714 29.042 3.145 10.359 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.464 3.744 9.075 1.00 1.00 C ATOM 447 CG2 ILE A 714 27.947 3.062 11.424 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.565 2.714 8.390 1.00 1.00 C ATOM 0 H ILE A 714 31.242 3.317 9.199 1.00 1.00 H new ATOM 0 HA ILE A 714 29.832 5.064 10.902 1.00 1.00 H new ATOM 0 HB ILE A 714 29.425 2.146 10.148 1.00 1.00 H new ATOM 0 HG12 ILE A 714 27.894 4.644 9.306 1.00 1.00 H new ATOM 0 HG13 ILE A 714 29.271 4.041 8.405 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.135 2.432 11.062 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.360 2.633 12.337 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.566 4.062 11.632 1.00 1.00 H new ATOM 0 HD11 ILE A 714 27.154 3.141 7.475 1.00 1.00 H new ATOM 0 HD12 ILE A 714 28.149 1.827 8.145 1.00 1.00 H new ATOM 0 HD13 ILE A 714 26.751 2.439 9.060 1.00 1.00 H new ATOM 460 N TRP A 715 31.344 2.506 12.343 1.00 1.00 N ATOM 461 CA TRP A 715 31.785 1.982 13.630 1.00 1.00 C ATOM 462 C TRP A 715 32.475 3.093 14.429 1.00 1.00 C ATOM 463 O TRP A 715 32.229 3.261 15.622 1.00 1.00 O ATOM 464 CB TRP A 715 32.755 0.816 13.382 1.00 1.00 C ATOM 465 CG TRP A 715 33.177 0.148 14.662 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.648 0.356 15.897 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.218 -0.859 14.838 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.307 -0.449 16.808 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.279 -1.218 16.205 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.110 -1.489 13.950 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.190 -2.165 16.674 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.027 -2.443 14.419 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.067 -2.781 15.777 1.00 1.00 C ATOM 0 H TRP A 715 31.678 1.985 11.532 1.00 1.00 H new ATOM 0 HA TRP A 715 30.930 1.625 14.204 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.280 0.082 12.730 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.637 1.184 12.858 1.00 1.00 H new ATOM 0 HD1 TRP A 715 31.844 1.039 16.129 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.099 -0.471 17.806 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.089 -1.237 12.900 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.217 -2.420 17.723 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 36.706 -2.919 13.728 1.00 1.00 H new ATOM 0 HH2 TRP A 715 36.774 -3.516 16.131 1.00 1.00 H new ATOM 484 N LYS A 716 33.349 3.838 13.765 1.00 1.00 N ATOM 485 CA LYS A 716 34.092 4.913 14.419 1.00 1.00 C ATOM 486 C LYS A 716 33.157 5.963 15.028 1.00 1.00 C ATOM 487 O LYS A 716 33.391 6.435 16.143 1.00 1.00 O ATOM 488 CB LYS A 716 35.024 5.564 13.378 1.00 1.00 C ATOM 489 CG LYS A 716 35.791 6.816 13.892 1.00 1.00 C ATOM 490 CD LYS A 716 36.973 6.499 14.842 1.00 1.00 C ATOM 491 CE LYS A 716 36.519 6.107 16.253 1.00 1.00 C ATOM 492 NZ LYS A 716 37.689 6.192 17.171 1.00 1.00 N ATOM 0 H LYS A 716 33.562 3.720 12.775 1.00 1.00 H new ATOM 0 HA LYS A 716 34.673 4.492 15.239 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.749 4.822 13.043 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.433 5.848 12.507 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.170 7.372 13.034 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.089 7.469 14.411 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.565 5.688 14.418 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.625 7.370 14.905 1.00 1.00 H new ATOM 0 HE2 LYS A 716 35.723 6.770 16.592 1.00 1.00 H new ATOM 0 HE3 LYS A 716 36.112 5.096 16.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 37.395 5.928 18.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.433 5.542 16.846 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 38.057 7.165 17.176 1.00 1.00 H new ATOM 506 N LEU A 717 32.122 6.343 14.295 1.00 1.00 N ATOM 507 CA LEU A 717 31.201 7.364 14.793 1.00 1.00 C ATOM 508 C LEU A 717 30.511 6.920 16.086 1.00 1.00 C ATOM 509 O LEU A 717 30.396 7.701 17.030 1.00 1.00 O ATOM 510 CB LEU A 717 30.139 7.690 13.733 1.00 1.00 C ATOM 511 CG LEU A 717 30.641 8.786 12.774 1.00 1.00 C ATOM 512 CD1 LEU A 717 31.787 8.263 11.907 1.00 1.00 C ATOM 513 CD2 LEU A 717 29.499 9.213 11.853 1.00 1.00 C ATOM 0 H LEU A 717 31.897 5.972 13.372 1.00 1.00 H new ATOM 0 HA LEU A 717 31.790 8.256 15.007 1.00 1.00 H new ATOM 0 HB2 LEU A 717 29.895 6.790 13.168 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.221 8.019 14.220 1.00 1.00 H new ATOM 0 HG LEU A 717 30.993 9.628 13.369 1.00 1.00 H new ATOM 0 HD11 LEU A 717 32.126 9.053 11.237 1.00 1.00 H new ATOM 0 HD12 LEU A 717 32.613 7.949 12.546 1.00 1.00 H new ATOM 0 HD13 LEU A 717 31.440 7.413 11.319 1.00 1.00 H new ATOM 0 HD21 LEU A 717 29.851 9.989 11.173 1.00 1.00 H new ATOM 0 HD22 LEU A 717 29.155 8.354 11.277 1.00 1.00 H new ATOM 0 HD23 LEU A 717 28.675 9.602 12.451 1.00 1.00 H new ATOM 525 N LEU A 718 30.073 5.666 16.143 1.00 1.00 N ATOM 526 CA LEU A 718 29.426 5.159 17.354 1.00 1.00 C ATOM 527 C LEU A 718 30.413 5.086 18.513 1.00 1.00 C ATOM 528 O LEU A 718 30.067 5.399 19.642 1.00 1.00 O ATOM 529 CB LEU A 718 28.807 3.783 17.107 1.00 1.00 C ATOM 530 CG LEU A 718 27.405 3.962 16.522 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.500 4.740 15.211 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.778 2.589 16.261 1.00 1.00 C ATOM 0 H LEU A 718 30.151 4.991 15.382 1.00 1.00 H new ATOM 0 HA LEU A 718 28.632 5.857 17.619 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.430 3.208 16.422 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.756 3.221 18.039 1.00 1.00 H new ATOM 0 HG LEU A 718 26.783 4.512 17.228 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.502 4.869 14.791 1.00 1.00 H new ATOM 0 HD12 LEU A 718 27.944 5.718 15.399 1.00 1.00 H new ATOM 0 HD13 LEU A 718 28.122 4.189 14.505 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.779 2.718 15.844 1.00 1.00 H new ATOM 0 HD22 LEU A 718 27.397 2.035 15.555 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.711 2.035 17.198 1.00 1.00 H new ATOM 544 N ILE A 719 31.636 4.670 18.252 1.00 1.00 N ATOM 545 CA ILE A 719 32.618 4.574 19.321 1.00 1.00 C ATOM 546 C ILE A 719 32.869 5.946 19.932 1.00 1.00 C ATOM 547 O ILE A 719 32.989 6.089 21.148 1.00 1.00 O ATOM 548 CB ILE A 719 33.925 4.001 18.772 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.693 2.548 18.360 1.00 1.00 C ATOM 550 CG2 ILE A 719 35.008 4.059 19.855 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.885 2.044 17.547 1.00 1.00 C ATOM 0 H ILE A 719 31.972 4.397 17.329 1.00 1.00 H new ATOM 0 HA ILE A 719 32.232 3.911 20.096 1.00 1.00 H new ATOM 0 HB ILE A 719 34.250 4.584 17.910 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.556 1.927 19.245 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.780 2.469 17.771 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.939 3.650 19.461 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.166 5.094 20.157 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.691 3.474 20.718 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.715 1.008 17.256 1.00 1.00 H new ATOM 0 HD12 ILE A 719 35.002 2.658 16.654 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.790 2.107 18.151 1.00 1.00 H new ATOM 563 N THR A 720 32.955 6.948 19.067 1.00 1.00 N ATOM 564 CA THR A 720 33.199 8.322 19.488 1.00 1.00 C ATOM 565 C THR A 720 32.068 8.888 20.348 1.00 1.00 C ATOM 566 O THR A 720 32.318 9.594 21.325 1.00 1.00 O ATOM 567 CB THR A 720 33.359 9.215 18.262 1.00 1.00 C ATOM 568 OG1 THR A 720 34.472 8.778 17.495 1.00 1.00 O ATOM 569 CG2 THR A 720 33.578 10.656 18.719 1.00 1.00 C ATOM 0 H THR A 720 32.858 6.833 18.058 1.00 1.00 H new ATOM 0 HA THR A 720 34.108 8.307 20.089 1.00 1.00 H new ATOM 0 HB THR A 720 32.461 9.160 17.647 1.00 1.00 H new ATOM 0 HG1 THR A 720 34.185 8.080 16.870 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.693 11.301 17.848 1.00 1.00 H new ATOM 0 HG22 THR A 720 32.720 10.987 19.304 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.478 10.711 19.332 1.00 1.00 H new ATOM 577 N ILE A 721 30.827 8.623 19.950 1.00 1.00 N ATOM 578 CA ILE A 721 29.672 9.165 20.662 1.00 1.00 C ATOM 579 C ILE A 721 29.539 8.595 22.072 1.00 1.00 C ATOM 580 O ILE A 721 29.084 9.289 22.980 1.00 1.00 O ATOM 581 CB ILE A 721 28.389 8.908 19.866 1.00 1.00 C ATOM 582 CG1 ILE A 721 27.399 10.039 20.145 1.00 1.00 C ATOM 583 CG2 ILE A 721 27.764 7.575 20.286 1.00 1.00 C ATOM 584 CD1 ILE A 721 26.063 9.737 19.464 1.00 1.00 C ATOM 0 H ILE A 721 30.595 8.041 19.145 1.00 1.00 H new ATOM 0 HA ILE A 721 29.830 10.239 20.760 1.00 1.00 H new ATOM 0 HB ILE A 721 28.626 8.868 18.803 1.00 1.00 H new ATOM 0 HG12 ILE A 721 27.253 10.150 21.219 1.00 1.00 H new ATOM 0 HG13 ILE A 721 27.799 10.984 19.778 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.853 7.404 19.713 1.00 1.00 H new ATOM 0 HG22 ILE A 721 28.470 6.766 20.096 1.00 1.00 H new ATOM 0 HG23 ILE A 721 27.524 7.604 21.349 1.00 1.00 H new ATOM 0 HD11 ILE A 721 25.361 10.546 19.666 1.00 1.00 H new ATOM 0 HD12 ILE A 721 26.215 9.648 18.388 1.00 1.00 H new ATOM 0 HD13 ILE A 721 25.660 8.801 19.852 1.00 1.00 H new ATOM 596 N HIS A 722 29.947 7.348 22.266 1.00 1.00 N ATOM 597 CA HIS A 722 29.860 6.761 23.597 1.00 1.00 C ATOM 598 C HIS A 722 30.633 7.632 24.590 1.00 1.00 C ATOM 599 O HIS A 722 30.137 7.938 25.675 1.00 1.00 O ATOM 600 CB HIS A 722 30.403 5.329 23.584 1.00 1.00 C ATOM 601 CG HIS A 722 29.377 4.415 22.963 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.135 4.383 21.598 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.509 3.505 23.514 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.154 3.486 21.377 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.737 2.923 22.511 1.00 1.00 N ATOM 0 H HIS A 722 30.330 6.739 21.543 1.00 1.00 H new ATOM 0 HA HIS A 722 28.816 6.719 23.907 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.335 5.286 23.020 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.630 5.004 24.599 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.613 4.938 20.889 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.436 3.275 24.567 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.755 3.252 20.401 1.00 1.00 H new ATOM 613 N ASP A 723 31.843 8.041 24.209 1.00 1.00 N ATOM 614 CA ASP A 723 32.660 8.891 25.076 1.00 1.00 C ATOM 615 C ASP A 723 32.608 10.349 24.617 1.00 1.00 C ATOM 616 O ASP A 723 33.073 10.692 23.530 1.00 1.00 O ATOM 617 CB ASP A 723 34.110 8.402 25.078 1.00 1.00 C ATOM 618 CG ASP A 723 34.218 7.101 25.868 1.00 1.00 C ATOM 619 OD1 ASP A 723 33.277 6.779 26.574 1.00 1.00 O ATOM 620 OD2 ASP A 723 35.240 6.445 25.754 1.00 1.00 O ATOM 0 H ASP A 723 32.276 7.801 23.317 1.00 1.00 H new ATOM 0 HA ASP A 723 32.257 8.831 26.087 1.00 1.00 H new ATOM 0 HB2 ASP A 723 34.452 8.246 24.055 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.758 9.160 25.518 1.00 1.00 H new ATOM 625 N ARG A 724 32.046 11.200 25.473 1.00 1.00 N ATOM 626 CA ARG A 724 31.930 12.625 25.180 1.00 1.00 C ATOM 627 C ARG A 724 33.318 13.248 25.040 1.00 1.00 C ATOM 628 O ARG A 724 33.551 14.079 24.161 1.00 1.00 O ATOM 629 CB ARG A 724 31.165 13.315 26.316 1.00 1.00 C ATOM 630 CG ARG A 724 29.684 12.910 26.267 1.00 1.00 C ATOM 631 CD ARG A 724 28.945 13.512 27.468 1.00 1.00 C ATOM 632 NE ARG A 724 27.519 13.189 27.415 1.00 1.00 N ATOM 633 CZ ARG A 724 27.047 12.048 27.914 1.00 1.00 C ATOM 634 NH1 ARG A 724 27.867 11.153 28.389 1.00 1.00 N ATOM 635 NH2 ARG A 724 25.761 11.817 27.912 1.00 1.00 N ATOM 0 H ARG A 724 31.663 10.925 26.378 1.00 1.00 H new ATOM 0 HA ARG A 724 31.390 12.756 24.242 1.00 1.00 H new ATOM 0 HB2 ARG A 724 31.596 13.037 27.278 1.00 1.00 H new ATOM 0 HB3 ARG A 724 31.259 14.397 26.225 1.00 1.00 H new ATOM 0 HG2 ARG A 724 29.232 13.258 25.338 1.00 1.00 H new ATOM 0 HG3 ARG A 724 29.593 11.824 26.279 1.00 1.00 H new ATOM 0 HD2 ARG A 724 29.375 13.130 28.394 1.00 1.00 H new ATOM 0 HD3 ARG A 724 29.077 14.594 27.477 1.00 1.00 H new ATOM 0 HE ARG A 724 26.873 13.852 26.987 1.00 1.00 H new ATOM 0 HH11 ARG A 724 28.872 11.326 28.379 1.00 1.00 H new ATOM 0 HH12 ARG A 724 27.503 10.280 28.771 1.00 1.00 H new ATOM 0 HH21 ARG A 724 25.119 12.510 27.528 1.00 1.00 H new ATOM 0 HH22 ARG A 724 25.399 10.943 28.294 1.00 1.00 H new ATOM 649 N LYS A 725 34.236 12.827 25.905 1.00 1.00 N ATOM 650 CA LYS A 725 35.603 13.330 25.868 1.00 1.00 C ATOM 651 C LYS A 725 36.507 12.320 25.170 1.00 1.00 C ATOM 652 O LYS A 725 36.257 11.118 25.218 1.00 1.00 O ATOM 653 CB LYS A 725 36.101 13.589 27.293 1.00 1.00 C ATOM 654 CG LYS A 725 35.274 14.714 27.914 1.00 1.00 C ATOM 655 CD LYS A 725 35.733 14.972 29.350 1.00 1.00 C ATOM 656 CE LYS A 725 34.879 16.090 29.951 1.00 1.00 C ATOM 657 NZ LYS A 725 35.287 16.335 31.362 1.00 1.00 N ATOM 0 H LYS A 725 34.058 12.140 26.638 1.00 1.00 H new ATOM 0 HA LYS A 725 35.625 14.267 25.312 1.00 1.00 H new ATOM 0 HB2 LYS A 725 36.014 12.683 27.893 1.00 1.00 H new ATOM 0 HB3 LYS A 725 37.156 13.861 27.279 1.00 1.00 H new ATOM 0 HG2 LYS A 725 35.379 15.623 27.321 1.00 1.00 H new ATOM 0 HG3 LYS A 725 34.217 14.447 27.904 1.00 1.00 H new ATOM 0 HD2 LYS A 725 35.638 14.064 29.945 1.00 1.00 H new ATOM 0 HD3 LYS A 725 36.786 15.253 29.364 1.00 1.00 H new ATOM 0 HE2 LYS A 725 34.994 17.002 29.366 1.00 1.00 H new ATOM 0 HE3 LYS A 725 33.825 15.816 29.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 34.703 17.096 31.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 35.155 15.466 31.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 36.288 16.615 31.390 1.00 1.00 H new ATOM 671 N GLU A 726 37.546 12.817 24.506 1.00 1.00 N ATOM 672 CA GLU A 726 38.466 11.944 23.784 1.00 1.00 C ATOM 673 C GLU A 726 39.914 12.313 24.099 1.00 1.00 C ATOM 674 O GLU A 726 40.248 13.487 24.253 1.00 1.00 O ATOM 675 CB GLU A 726 38.196 12.071 22.276 1.00 1.00 C ATOM 676 CG GLU A 726 39.095 11.120 21.473 1.00 1.00 C ATOM 677 CD GLU A 726 38.667 9.671 21.689 1.00 1.00 C ATOM 678 OE1 GLU A 726 37.627 9.463 22.292 1.00 1.00 O ATOM 679 OE2 GLU A 726 39.387 8.792 21.248 1.00 1.00 O ATOM 0 H GLU A 726 37.771 13.810 24.453 1.00 1.00 H new ATOM 0 HA GLU A 726 38.307 10.912 24.097 1.00 1.00 H new ATOM 0 HB2 GLU A 726 37.149 11.847 22.070 1.00 1.00 H new ATOM 0 HB3 GLU A 726 38.371 13.098 21.957 1.00 1.00 H new ATOM 0 HG2 GLU A 726 39.041 11.367 20.413 1.00 1.00 H new ATOM 0 HG3 GLU A 726 40.134 11.248 21.778 1.00 1.00 H new ATOM 686 N PHE A 727 40.764 11.294 24.189 1.00 1.00 N ATOM 687 CA PHE A 727 42.178 11.502 24.485 1.00 1.00 C ATOM 688 C PHE A 727 42.989 11.563 23.193 1.00 1.00 C ATOM 689 O PHE A 727 42.861 10.648 22.396 1.00 1.00 O ATOM 690 CB PHE A 727 42.694 10.357 25.362 1.00 1.00 C ATOM 691 CG PHE A 727 42.033 10.421 26.720 1.00 1.00 C ATOM 692 CD1 PHE A 727 42.614 11.169 27.751 1.00 1.00 C ATOM 693 CD2 PHE A 727 40.839 9.727 26.948 1.00 1.00 C ATOM 694 CE1 PHE A 727 41.999 11.223 29.009 1.00 1.00 C ATOM 695 CE2 PHE A 727 40.225 9.782 28.205 1.00 1.00 C ATOM 696 CZ PHE A 727 40.804 10.529 29.236 1.00 1.00 C ATOM 697 OXT PHE A 727 43.722 12.521 23.021 1.00 1.00 O ATOM 0 H PHE A 727 40.499 10.317 24.061 1.00 1.00 H new ATOM 0 HA PHE A 727 42.290 12.448 25.015 1.00 1.00 H new ATOM 0 HB2 PHE A 727 42.482 9.399 24.888 1.00 1.00 H new ATOM 0 HB3 PHE A 727 43.776 10.427 25.470 1.00 1.00 H new ATOM 0 HD1 PHE A 727 43.536 11.704 27.577 1.00 1.00 H new ATOM 0 HD2 PHE A 727 40.391 9.149 26.154 1.00 1.00 H new ATOM 0 HE1 PHE A 727 42.447 11.800 29.804 1.00 1.00 H new ATOM 0 HE2 PHE A 727 39.303 9.247 28.379 1.00 1.00 H new ATOM 0 HZ PHE A 727 40.330 10.571 30.206 1.00 1.00 H new TER 707 PHE A 727