USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 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 740 SER OG : rot 180:sc= 0 USER MOD Single : A 741 SER OG : rot 180:sc= 0 USER MOD Single : A 743 SER OG : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 180:sc=-0.00208 USER MOD Single : A 754 CYS SG : rot 84:sc= 1.29 USER MOD Single : A 757 TYR OH : rot 180:sc= 0 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 763 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 776 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-0.35) USER MOD Single : A 780 SER OG : rot 34:sc= 0.0936 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HE2:sc= -3.13 K(o=-3.1,f=-3.9!) USER MOD Single : A 789 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HE2:sc= -0.708 K(o=-0.71,f=-8.9!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -25.456 6.593 5.080 1.00 0.00 N ATOM 2 CA GLY A 739 -24.531 5.475 5.105 1.00 0.00 C ATOM 3 C GLY A 739 -23.193 5.843 5.715 1.00 0.00 C ATOM 4 O GLY A 739 -22.369 6.494 5.074 1.00 0.00 O ATOM 0 HA2 GLY A 739 -24.972 4.655 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -24.376 5.113 4.089 1.00 0.00 H new ATOM 8 N SER A 740 -22.978 5.428 6.960 1.00 0.00 N ATOM 9 CA SER A 740 -21.733 5.723 7.659 1.00 0.00 C ATOM 10 C SER A 740 -20.636 4.744 7.252 1.00 0.00 C ATOM 11 O SER A 740 -20.621 3.593 7.689 1.00 0.00 O ATOM 12 CB SER A 740 -21.947 5.665 9.173 1.00 0.00 C ATOM 13 OG SER A 740 -22.666 6.798 9.629 1.00 0.00 O ATOM 0 H SER A 740 -23.650 4.887 7.505 1.00 0.00 H new ATOM 0 HA SER A 740 -21.420 6.729 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 740 -22.491 4.757 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 740 -20.983 5.615 9.678 1.00 0.00 H new ATOM 0 HG SER A 740 -22.792 6.737 10.599 1.00 0.00 H new ATOM 19 N SER A 741 -19.718 5.210 6.410 1.00 0.00 N ATOM 20 CA SER A 741 -18.619 4.375 5.940 1.00 0.00 C ATOM 21 C SER A 741 -17.539 4.245 7.010 1.00 0.00 C ATOM 22 O SER A 741 -17.254 5.194 7.738 1.00 0.00 O ATOM 23 CB SER A 741 -18.017 4.960 4.661 1.00 0.00 C ATOM 24 OG SER A 741 -16.810 4.303 4.318 1.00 0.00 O ATOM 0 H SER A 741 -19.714 6.160 6.040 1.00 0.00 H new ATOM 0 HA SER A 741 -19.016 3.383 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 741 -18.731 4.865 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 741 -17.829 6.025 4.798 1.00 0.00 H new ATOM 0 HG SER A 741 -16.447 4.694 3.496 1.00 0.00 H new ATOM 30 N GLY A 742 -16.941 3.060 7.098 1.00 0.00 N ATOM 31 CA GLY A 742 -15.900 2.826 8.081 1.00 0.00 C ATOM 32 C GLY A 742 -15.318 1.430 7.988 1.00 0.00 C ATOM 33 O GLY A 742 -14.593 1.113 7.045 1.00 0.00 O ATOM 0 H GLY A 742 -17.159 2.259 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -15.104 3.558 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -16.307 2.981 9.080 1.00 0.00 H new ATOM 37 N SER A 743 -15.635 0.592 8.970 1.00 0.00 N ATOM 38 CA SER A 743 -15.135 -0.778 8.998 1.00 0.00 C ATOM 39 C SER A 743 -15.249 -1.426 7.622 1.00 0.00 C ATOM 40 O SER A 743 -14.517 -2.362 7.302 1.00 0.00 O ATOM 41 CB SER A 743 -15.906 -1.604 10.029 1.00 0.00 C ATOM 42 OG SER A 743 -17.286 -1.654 9.713 1.00 0.00 O ATOM 0 H SER A 743 -16.236 0.838 9.757 1.00 0.00 H new ATOM 0 HA SER A 743 -14.083 -0.749 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 743 -15.501 -2.615 10.066 1.00 0.00 H new ATOM 0 HB3 SER A 743 -15.772 -1.171 11.020 1.00 0.00 H new ATOM 0 HG SER A 743 -17.756 -2.189 10.386 1.00 0.00 H new ATOM 48 N SER A 744 -16.174 -0.921 6.812 1.00 0.00 N ATOM 49 CA SER A 744 -16.388 -1.453 5.471 1.00 0.00 C ATOM 50 C SER A 744 -15.396 -0.848 4.482 1.00 0.00 C ATOM 51 O SER A 744 -15.690 0.146 3.819 1.00 0.00 O ATOM 52 CB SER A 744 -17.820 -1.171 5.010 1.00 0.00 C ATOM 53 OG SER A 744 -17.955 -1.373 3.614 1.00 0.00 O ATOM 0 H SER A 744 -16.787 -0.145 7.061 1.00 0.00 H new ATOM 0 HA SER A 744 -16.230 -2.531 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 744 -18.512 -1.822 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 744 -18.091 -0.145 5.260 1.00 0.00 H new ATOM 0 HG SER A 744 -18.879 -1.188 3.345 1.00 0.00 H new ATOM 59 N GLY A 745 -14.217 -1.457 4.389 1.00 0.00 N ATOM 60 CA GLY A 745 -13.199 -0.966 3.479 1.00 0.00 C ATOM 61 C GLY A 745 -12.767 -2.013 2.472 1.00 0.00 C ATOM 62 O GLY A 745 -11.879 -2.819 2.747 1.00 0.00 O ATOM 0 H GLY A 745 -13.949 -2.281 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -13.580 -0.093 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -12.332 -0.638 4.052 1.00 0.00 H new ATOM 66 N GLU A 746 -13.399 -2.003 1.302 1.00 0.00 N ATOM 67 CA GLU A 746 -13.077 -2.961 0.252 1.00 0.00 C ATOM 68 C GLU A 746 -12.635 -2.245 -1.021 1.00 0.00 C ATOM 69 O GLU A 746 -11.688 -2.664 -1.685 1.00 0.00 O ATOM 70 CB GLU A 746 -14.285 -3.853 -0.044 1.00 0.00 C ATOM 71 CG GLU A 746 -14.002 -4.940 -1.068 1.00 0.00 C ATOM 72 CD GLU A 746 -13.326 -6.153 -0.460 1.00 0.00 C ATOM 73 OE1 GLU A 746 -12.236 -5.991 0.128 1.00 0.00 O ATOM 74 OE2 GLU A 746 -13.886 -7.263 -0.571 1.00 0.00 O ATOM 0 H GLU A 746 -14.137 -1.342 1.058 1.00 0.00 H new ATOM 0 HA GLU A 746 -12.253 -3.583 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -14.619 -4.317 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -15.106 -3.232 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -14.938 -5.246 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -13.370 -4.534 -1.858 1.00 0.00 H new ATOM 81 N GLY A 747 -13.329 -1.162 -1.355 1.00 0.00 N ATOM 82 CA GLY A 747 -12.995 -0.405 -2.547 1.00 0.00 C ATOM 83 C GLY A 747 -11.499 -0.233 -2.725 1.00 0.00 C ATOM 84 O GLY A 747 -10.839 0.409 -1.908 1.00 0.00 O ATOM 0 H GLY A 747 -14.117 -0.795 -0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.406 -0.910 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.467 0.576 -2.494 1.00 0.00 H new ATOM 88 N VAL A 748 -10.962 -0.810 -3.795 1.00 0.00 N ATOM 89 CA VAL A 748 -9.534 -0.719 -4.077 1.00 0.00 C ATOM 90 C VAL A 748 -9.233 0.444 -5.016 1.00 0.00 C ATOM 91 O VAL A 748 -9.928 0.648 -6.012 1.00 0.00 O ATOM 92 CB VAL A 748 -9.001 -2.021 -4.703 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.519 -1.894 -5.021 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.256 -3.200 -3.776 1.00 0.00 C ATOM 0 H VAL A 748 -11.494 -1.345 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.033 -0.552 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 748 -9.534 -2.199 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -7.161 -2.824 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.367 -1.076 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -6.966 -1.691 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -8.873 -4.112 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -8.750 -3.031 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.327 -3.302 -3.604 1.00 0.00 H new ATOM 104 N VAL A 749 -8.192 1.204 -4.693 1.00 0.00 N ATOM 105 CA VAL A 749 -7.796 2.346 -5.509 1.00 0.00 C ATOM 106 C VAL A 749 -6.431 2.118 -6.149 1.00 0.00 C ATOM 107 O VAL A 749 -5.423 1.994 -5.455 1.00 0.00 O ATOM 108 CB VAL A 749 -7.751 3.641 -4.677 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.301 4.813 -5.536 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.109 3.919 -4.051 1.00 0.00 C ATOM 0 H VAL A 749 -7.607 1.050 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.547 2.451 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.026 3.511 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.275 5.719 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.305 4.613 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.999 4.948 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.059 4.838 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.856 4.029 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.386 3.090 -3.400 1.00 0.00 H new ATOM 120 N GLU A 750 -6.408 2.064 -7.477 1.00 0.00 N ATOM 121 CA GLU A 750 -5.166 1.850 -8.211 1.00 0.00 C ATOM 122 C GLU A 750 -4.366 3.145 -8.313 1.00 0.00 C ATOM 123 O GLU A 750 -4.891 4.182 -8.717 1.00 0.00 O ATOM 124 CB GLU A 750 -5.462 1.308 -9.611 1.00 0.00 C ATOM 125 CG GLU A 750 -5.650 -0.199 -9.652 1.00 0.00 C ATOM 126 CD GLU A 750 -6.504 -0.648 -10.821 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.741 -0.488 -10.750 1.00 0.00 O ATOM 128 OE2 GLU A 750 -5.936 -1.160 -11.809 1.00 0.00 O ATOM 0 H GLU A 750 -7.234 2.165 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.572 1.118 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.362 1.789 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.645 1.582 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.675 -0.682 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.112 -0.529 -8.721 1.00 0.00 H new ATOM 135 N ALA A 751 -3.091 3.077 -7.944 1.00 0.00 N ATOM 136 CA ALA A 751 -2.217 4.242 -7.996 1.00 0.00 C ATOM 137 C ALA A 751 -1.009 3.983 -8.890 1.00 0.00 C ATOM 138 O ALA A 751 -0.656 2.834 -9.157 1.00 0.00 O ATOM 139 CB ALA A 751 -1.766 4.626 -6.595 1.00 0.00 C ATOM 0 H ALA A 751 -2.640 2.227 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.782 5.070 -8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.114 5.498 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.637 4.862 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.223 3.794 -6.147 1.00 0.00 H new ATOM 145 N VAL A 752 -0.377 5.058 -9.350 1.00 0.00 N ATOM 146 CA VAL A 752 0.792 4.947 -10.214 1.00 0.00 C ATOM 147 C VAL A 752 2.050 5.429 -9.500 1.00 0.00 C ATOM 148 O VAL A 752 2.004 6.366 -8.703 1.00 0.00 O ATOM 149 CB VAL A 752 0.610 5.756 -11.512 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.858 5.666 -12.377 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.613 5.271 -12.274 1.00 0.00 C ATOM 0 H VAL A 752 -0.655 6.016 -9.139 1.00 0.00 H new ATOM 0 HA VAL A 752 0.901 3.892 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 752 0.455 6.802 -11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.711 6.244 -13.290 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.711 6.066 -11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.048 4.624 -12.634 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.727 5.853 -13.188 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.490 4.218 -12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.501 5.393 -11.653 1.00 0.00 H new ATOM 161 N ALA A 753 3.174 4.781 -9.792 1.00 0.00 N ATOM 162 CA ALA A 753 4.446 5.145 -9.180 1.00 0.00 C ATOM 163 C ALA A 753 5.171 6.201 -10.007 1.00 0.00 C ATOM 164 O ALA A 753 5.797 5.888 -11.020 1.00 0.00 O ATOM 165 CB ALA A 753 5.321 3.912 -9.010 1.00 0.00 C ATOM 0 H ALA A 753 3.229 4.002 -10.448 1.00 0.00 H new ATOM 0 HA ALA A 753 4.240 5.570 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.268 4.198 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.812 3.190 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.511 3.463 -9.985 1.00 0.00 H new ATOM 171 N CYS A 754 5.081 7.452 -9.570 1.00 0.00 N ATOM 172 CA CYS A 754 5.728 8.556 -10.271 1.00 0.00 C ATOM 173 C CYS A 754 7.239 8.355 -10.325 1.00 0.00 C ATOM 174 O CYS A 754 7.909 8.843 -11.235 1.00 0.00 O ATOM 175 CB CYS A 754 5.402 9.884 -9.586 1.00 0.00 C ATOM 176 SG CYS A 754 5.775 9.913 -7.817 1.00 0.00 S ATOM 0 H CYS A 754 4.566 7.728 -8.734 1.00 0.00 H new ATOM 0 HA CYS A 754 5.346 8.579 -11.292 1.00 0.00 H new ATOM 0 HB2 CYS A 754 5.961 10.681 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 754 4.344 10.103 -9.727 1.00 0.00 H new ATOM 0 HG CYS A 754 7.029 10.206 -7.643 1.00 0.00 H new ATOM 182 N PHE A 755 7.770 7.634 -9.343 1.00 0.00 N ATOM 183 CA PHE A 755 9.203 7.371 -9.276 1.00 0.00 C ATOM 184 C PHE A 755 9.473 5.952 -8.782 1.00 0.00 C ATOM 185 O PHE A 755 8.551 5.228 -8.408 1.00 0.00 O ATOM 186 CB PHE A 755 9.887 8.383 -8.354 1.00 0.00 C ATOM 187 CG PHE A 755 9.647 9.812 -8.750 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.943 10.248 -10.031 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.125 10.718 -7.841 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.724 11.563 -10.397 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.904 12.034 -8.201 1.00 0.00 C ATOM 192 CZ PHE A 755 9.203 12.456 -9.482 1.00 0.00 C ATOM 0 H PHE A 755 7.230 7.221 -8.583 1.00 0.00 H new ATOM 0 HA PHE A 755 9.613 7.471 -10.281 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.532 8.232 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 755 10.960 8.191 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.349 9.553 -10.751 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.888 10.392 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 755 9.960 11.892 -11.398 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.498 12.731 -7.482 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.029 13.483 -9.767 1.00 0.00 H new ATOM 202 N ALA A 756 10.743 5.563 -8.785 1.00 0.00 N ATOM 203 CA ALA A 756 11.136 4.233 -8.337 1.00 0.00 C ATOM 204 C ALA A 756 11.505 4.239 -6.857 1.00 0.00 C ATOM 205 O ALA A 756 12.324 5.045 -6.415 1.00 0.00 O ATOM 206 CB ALA A 756 12.299 3.716 -9.170 1.00 0.00 C ATOM 0 H ALA A 756 11.518 6.150 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 756 10.284 3.566 -8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.581 2.722 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.002 3.664 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.149 4.391 -9.067 1.00 0.00 H new ATOM 212 N TYR A 757 10.895 3.337 -6.097 1.00 0.00 N ATOM 213 CA TYR A 757 11.157 3.241 -4.665 1.00 0.00 C ATOM 214 C TYR A 757 11.759 1.884 -4.312 1.00 0.00 C ATOM 215 O TYR A 757 11.597 0.909 -5.046 1.00 0.00 O ATOM 216 CB TYR A 757 9.867 3.461 -3.873 1.00 0.00 C ATOM 217 CG TYR A 757 10.089 3.616 -2.386 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.529 4.820 -1.851 1.00 0.00 C ATOM 219 CD2 TYR A 757 9.859 2.558 -1.515 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.734 4.966 -0.493 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.060 2.695 -0.155 1.00 0.00 C ATOM 222 CZ TYR A 757 10.497 3.901 0.351 1.00 0.00 C ATOM 223 OH TYR A 757 10.700 4.042 1.705 1.00 0.00 O ATOM 0 H TYR A 757 10.216 2.662 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 757 11.875 4.017 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.365 4.352 -4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.196 2.619 -4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.714 5.657 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.517 1.612 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.078 5.909 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 757 9.876 1.862 0.508 1.00 0.00 H new ATOM 0 HH TYR A 757 10.486 3.199 2.157 1.00 0.00 H new ATOM 233 N THR A 758 12.453 1.829 -3.180 1.00 0.00 N ATOM 234 CA THR A 758 13.080 0.594 -2.727 1.00 0.00 C ATOM 235 C THR A 758 12.811 0.351 -1.246 1.00 0.00 C ATOM 236 O THR A 758 13.505 0.886 -0.383 1.00 0.00 O ATOM 237 CB THR A 758 14.602 0.617 -2.963 1.00 0.00 C ATOM 238 OG1 THR A 758 14.880 0.753 -4.361 1.00 0.00 O ATOM 239 CG2 THR A 758 15.252 -0.653 -2.433 1.00 0.00 C ATOM 0 H THR A 758 12.595 2.626 -2.560 1.00 0.00 H new ATOM 0 HA THR A 758 12.641 -0.215 -3.311 1.00 0.00 H new ATOM 0 HB THR A 758 15.017 1.470 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.850 0.768 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.327 -0.613 -2.611 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.065 -0.738 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.831 -1.518 -2.945 1.00 0.00 H new ATOM 247 N GLY A 759 11.797 -0.461 -0.959 1.00 0.00 N ATOM 248 CA GLY A 759 11.455 -0.760 0.419 1.00 0.00 C ATOM 249 C GLY A 759 12.670 -1.100 1.258 1.00 0.00 C ATOM 250 O GLY A 759 13.498 -1.920 0.861 1.00 0.00 O ATOM 0 H GLY A 759 11.207 -0.916 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.943 0.097 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.755 -1.596 0.443 1.00 0.00 H new ATOM 254 N ARG A 760 12.780 -0.466 2.421 1.00 0.00 N ATOM 255 CA ARG A 760 13.905 -0.704 3.317 1.00 0.00 C ATOM 256 C ARG A 760 13.738 -2.025 4.061 1.00 0.00 C ATOM 257 O ARG A 760 14.692 -2.790 4.214 1.00 0.00 O ATOM 258 CB ARG A 760 14.038 0.445 4.319 1.00 0.00 C ATOM 259 CG ARG A 760 14.605 1.718 3.714 1.00 0.00 C ATOM 260 CD ARG A 760 13.514 2.567 3.080 1.00 0.00 C ATOM 261 NE ARG A 760 13.867 3.984 3.056 1.00 0.00 N ATOM 262 CZ ARG A 760 14.837 4.487 2.300 1.00 0.00 C ATOM 263 NH1 ARG A 760 15.547 3.692 1.511 1.00 0.00 N ATOM 264 NH2 ARG A 760 15.099 5.787 2.333 1.00 0.00 N ATOM 0 H ARG A 760 12.104 0.216 2.765 1.00 0.00 H new ATOM 0 HA ARG A 760 14.812 -0.759 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.058 0.660 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.679 0.127 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 760 15.113 2.295 4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 760 15.353 1.464 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 760 13.331 2.222 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 760 12.584 2.434 3.633 1.00 0.00 H new ATOM 0 HE ARG A 760 13.340 4.622 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 760 15.349 2.692 1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 760 16.291 4.081 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 760 14.556 6.402 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 760 15.844 6.172 1.752 1.00 0.00 H new ATOM 278 N THR A 761 12.520 -2.289 4.524 1.00 0.00 N ATOM 279 CA THR A 761 12.228 -3.517 5.253 1.00 0.00 C ATOM 280 C THR A 761 11.023 -4.236 4.659 1.00 0.00 C ATOM 281 O THR A 761 10.272 -3.661 3.871 1.00 0.00 O ATOM 282 CB THR A 761 11.960 -3.234 6.744 1.00 0.00 C ATOM 283 OG1 THR A 761 10.753 -2.479 6.890 1.00 0.00 O ATOM 284 CG2 THR A 761 13.120 -2.472 7.367 1.00 0.00 C ATOM 0 H THR A 761 11.719 -1.668 4.407 1.00 0.00 H new ATOM 0 HA THR A 761 13.107 -4.155 5.164 1.00 0.00 H new ATOM 0 HB THR A 761 11.855 -4.189 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.589 -2.304 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 761 12.908 -2.284 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.032 -3.063 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.252 -1.523 6.848 1.00 0.00 H new ATOM 292 N ALA A 762 10.843 -5.495 5.042 1.00 0.00 N ATOM 293 CA ALA A 762 9.726 -6.292 4.549 1.00 0.00 C ATOM 294 C ALA A 762 8.431 -5.487 4.560 1.00 0.00 C ATOM 295 O ALA A 762 7.678 -5.495 3.587 1.00 0.00 O ATOM 296 CB ALA A 762 9.571 -7.556 5.382 1.00 0.00 C ATOM 0 H ALA A 762 11.456 -5.986 5.693 1.00 0.00 H new ATOM 0 HA ALA A 762 9.940 -6.574 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.733 -8.141 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.485 -8.147 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.384 -7.286 6.421 1.00 0.00 H new ATOM 302 N GLN A 763 8.179 -4.795 5.666 1.00 0.00 N ATOM 303 CA GLN A 763 6.973 -3.986 5.802 1.00 0.00 C ATOM 304 C GLN A 763 6.773 -3.097 4.579 1.00 0.00 C ATOM 305 O GLN A 763 5.681 -3.039 4.015 1.00 0.00 O ATOM 306 CB GLN A 763 7.050 -3.127 7.065 1.00 0.00 C ATOM 307 CG GLN A 763 6.610 -3.856 8.325 1.00 0.00 C ATOM 308 CD GLN A 763 5.167 -4.314 8.259 1.00 0.00 C ATOM 309 OE1 GLN A 763 4.262 -3.519 8.002 1.00 0.00 O ATOM 310 NE2 GLN A 763 4.943 -5.602 8.493 1.00 0.00 N ATOM 0 H GLN A 763 8.793 -4.778 6.480 1.00 0.00 H new ATOM 0 HA GLN A 763 6.120 -4.660 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.075 -2.779 7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.428 -2.242 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 763 7.255 -4.720 8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 763 6.740 -3.199 9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 763 5.723 -6.225 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 763 3.991 -5.968 8.464 1.00 0.00 H new ATOM 319 N GLU A 764 7.835 -2.406 4.176 1.00 0.00 N ATOM 320 CA GLU A 764 7.774 -1.518 3.021 1.00 0.00 C ATOM 321 C GLU A 764 7.881 -2.310 1.720 1.00 0.00 C ATOM 322 O GLU A 764 8.520 -3.362 1.672 1.00 0.00 O ATOM 323 CB GLU A 764 8.893 -0.477 3.090 1.00 0.00 C ATOM 324 CG GLU A 764 8.832 0.400 4.330 1.00 0.00 C ATOM 325 CD GLU A 764 9.511 -0.236 5.527 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.733 -0.033 5.693 1.00 0.00 O ATOM 327 OE2 GLU A 764 8.823 -0.937 6.298 1.00 0.00 O ATOM 0 H GLU A 764 8.747 -2.444 4.632 1.00 0.00 H new ATOM 0 HA GLU A 764 6.811 -1.007 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.855 -0.988 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.844 0.156 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.304 1.359 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.790 0.605 4.575 1.00 0.00 H new ATOM 334 N LEU A 765 7.252 -1.797 0.669 1.00 0.00 N ATOM 335 CA LEU A 765 7.275 -2.455 -0.633 1.00 0.00 C ATOM 336 C LEU A 765 8.228 -1.742 -1.587 1.00 0.00 C ATOM 337 O LEU A 765 8.828 -0.726 -1.236 1.00 0.00 O ATOM 338 CB LEU A 765 5.868 -2.493 -1.232 1.00 0.00 C ATOM 339 CG LEU A 765 4.886 -3.466 -0.580 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.463 -3.166 -1.023 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.258 -4.904 -0.913 1.00 0.00 C ATOM 0 H LEU A 765 6.720 -0.927 0.692 1.00 0.00 H new ATOM 0 HA LEU A 765 7.630 -3.476 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.445 -1.490 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.952 -2.747 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 765 4.943 -3.338 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.778 -3.869 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.198 -2.149 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.391 -3.264 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.548 -5.582 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.231 -5.046 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.262 -5.115 -0.544 1.00 0.00 H new ATOM 353 N SER A 766 8.360 -2.280 -2.795 1.00 0.00 N ATOM 354 CA SER A 766 9.241 -1.696 -3.799 1.00 0.00 C ATOM 355 C SER A 766 8.629 -1.813 -5.192 1.00 0.00 C ATOM 356 O SER A 766 8.057 -2.844 -5.547 1.00 0.00 O ATOM 357 CB SER A 766 10.608 -2.382 -3.771 1.00 0.00 C ATOM 358 OG SER A 766 10.558 -3.644 -4.415 1.00 0.00 O ATOM 0 H SER A 766 7.868 -3.119 -3.102 1.00 0.00 H new ATOM 0 HA SER A 766 9.369 -0.639 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.347 -1.748 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 766 10.933 -2.510 -2.739 1.00 0.00 H new ATOM 0 HG SER A 766 11.444 -4.062 -4.385 1.00 0.00 H new ATOM 364 N PHE A 767 8.754 -0.748 -5.978 1.00 0.00 N ATOM 365 CA PHE A 767 8.213 -0.729 -7.332 1.00 0.00 C ATOM 366 C PHE A 767 8.941 0.299 -8.194 1.00 0.00 C ATOM 367 O PHE A 767 9.562 1.228 -7.679 1.00 0.00 O ATOM 368 CB PHE A 767 6.716 -0.418 -7.302 1.00 0.00 C ATOM 369 CG PHE A 767 6.357 0.710 -6.376 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.413 2.024 -6.810 1.00 0.00 C ATOM 371 CD2 PHE A 767 5.964 0.454 -5.072 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.082 3.064 -5.961 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.632 1.490 -4.219 1.00 0.00 C ATOM 374 CZ PHE A 767 5.692 2.796 -4.664 1.00 0.00 C ATOM 0 H PHE A 767 9.225 0.113 -5.700 1.00 0.00 H new ATOM 0 HA PHE A 767 8.363 -1.716 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.384 -0.170 -8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.173 -1.313 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 767 6.719 2.239 -7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.917 -0.565 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.128 4.084 -6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.326 1.278 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.434 3.606 -3.998 1.00 0.00 H new ATOM 384 N ARG A 768 8.859 0.124 -9.509 1.00 0.00 N ATOM 385 CA ARG A 768 9.510 1.034 -10.443 1.00 0.00 C ATOM 386 C ARG A 768 8.519 2.062 -10.980 1.00 0.00 C ATOM 387 O ARG A 768 7.306 1.869 -10.902 1.00 0.00 O ATOM 388 CB ARG A 768 10.129 0.252 -11.603 1.00 0.00 C ATOM 389 CG ARG A 768 11.419 -0.464 -11.235 1.00 0.00 C ATOM 390 CD ARG A 768 11.724 -1.595 -12.205 1.00 0.00 C ATOM 391 NE ARG A 768 12.378 -1.113 -13.419 1.00 0.00 N ATOM 392 CZ ARG A 768 12.948 -1.913 -14.313 1.00 0.00 C ATOM 393 NH1 ARG A 768 12.945 -3.226 -14.130 1.00 0.00 N ATOM 394 NH2 ARG A 768 13.523 -1.400 -15.393 1.00 0.00 N ATOM 0 H ARG A 768 8.348 -0.640 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 768 10.299 1.561 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.407 -0.481 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.326 0.937 -12.428 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.244 0.248 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.340 -0.862 -10.223 1.00 0.00 H new ATOM 0 HD2 ARG A 768 12.364 -2.330 -11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 768 10.798 -2.105 -12.470 1.00 0.00 H new ATOM 0 HE ARG A 768 12.398 -0.108 -13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 768 12.504 -3.624 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 768 13.384 -3.838 -14.818 1.00 0.00 H new ATOM 0 HH21 ARG A 768 13.528 -0.390 -15.537 1.00 0.00 H new ATOM 0 HH22 ARG A 768 13.960 -2.015 -16.079 1.00 0.00 H new ATOM 408 N ARG A 769 9.045 3.155 -11.525 1.00 0.00 N ATOM 409 CA ARG A 769 8.207 4.214 -12.073 1.00 0.00 C ATOM 410 C ARG A 769 7.223 3.654 -13.097 1.00 0.00 C ATOM 411 O ARG A 769 7.620 3.001 -14.061 1.00 0.00 O ATOM 412 CB ARG A 769 9.073 5.296 -12.721 1.00 0.00 C ATOM 413 CG ARG A 769 8.271 6.406 -13.379 1.00 0.00 C ATOM 414 CD ARG A 769 9.178 7.473 -13.971 1.00 0.00 C ATOM 415 NE ARG A 769 9.839 7.014 -15.190 1.00 0.00 N ATOM 416 CZ ARG A 769 10.977 6.328 -15.196 1.00 0.00 C ATOM 417 NH1 ARG A 769 11.576 6.023 -14.053 1.00 0.00 N ATOM 418 NH2 ARG A 769 11.516 5.946 -16.346 1.00 0.00 N ATOM 0 H ARG A 769 10.047 3.330 -11.598 1.00 0.00 H new ATOM 0 HA ARG A 769 7.640 4.655 -11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.724 5.731 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.718 4.834 -13.468 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.642 5.986 -14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.605 6.859 -12.645 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.592 8.366 -14.190 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.931 7.758 -13.236 1.00 0.00 H new ATOM 0 HE ARG A 769 9.403 7.232 -16.086 1.00 0.00 H new ATOM 0 HH11 ARG A 769 11.163 6.315 -13.167 1.00 0.00 H new ATOM 0 HH12 ARG A 769 12.449 5.496 -14.060 1.00 0.00 H new ATOM 0 HH21 ARG A 769 11.057 6.179 -17.227 1.00 0.00 H new ATOM 0 HH22 ARG A 769 12.390 5.419 -16.350 1.00 0.00 H new ATOM 432 N GLY A 770 5.938 3.915 -12.879 1.00 0.00 N ATOM 433 CA GLY A 770 4.918 3.430 -13.790 1.00 0.00 C ATOM 434 C GLY A 770 4.187 2.217 -13.250 1.00 0.00 C ATOM 435 O GLY A 770 2.996 2.036 -13.504 1.00 0.00 O ATOM 0 H GLY A 770 5.585 4.454 -12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.200 4.227 -13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.379 3.177 -14.745 1.00 0.00 H new ATOM 439 N ASP A 771 4.902 1.382 -12.503 1.00 0.00 N ATOM 440 CA ASP A 771 4.315 0.178 -11.926 1.00 0.00 C ATOM 441 C ASP A 771 3.105 0.524 -11.063 1.00 0.00 C ATOM 442 O ASP A 771 3.239 1.146 -10.008 1.00 0.00 O ATOM 443 CB ASP A 771 5.354 -0.572 -11.092 1.00 0.00 C ATOM 444 CG ASP A 771 6.521 -1.063 -11.926 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.960 -0.319 -12.828 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.995 -2.191 -11.677 1.00 0.00 O ATOM 0 H ASP A 771 5.889 1.517 -12.283 1.00 0.00 H new ATOM 0 HA ASP A 771 3.985 -0.464 -12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.725 0.083 -10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.878 -1.422 -10.602 1.00 0.00 H new ATOM 451 N VAL A 772 1.924 0.119 -11.518 1.00 0.00 N ATOM 452 CA VAL A 772 0.690 0.386 -10.788 1.00 0.00 C ATOM 453 C VAL A 772 0.622 -0.435 -9.506 1.00 0.00 C ATOM 454 O VAL A 772 1.075 -1.580 -9.463 1.00 0.00 O ATOM 455 CB VAL A 772 -0.549 0.077 -11.649 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.824 0.351 -10.866 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.519 0.888 -12.936 1.00 0.00 C ATOM 0 H VAL A 772 1.795 -0.396 -12.389 1.00 0.00 H new ATOM 0 HA VAL A 772 0.693 1.447 -10.537 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.533 -0.980 -11.913 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.689 0.127 -11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.846 -0.277 -9.976 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.851 1.400 -10.571 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.402 0.657 -13.532 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.511 1.951 -12.696 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.377 0.637 -13.503 1.00 0.00 H new ATOM 467 N LEU A 773 0.054 0.156 -8.461 1.00 0.00 N ATOM 468 CA LEU A 773 -0.075 -0.521 -7.175 1.00 0.00 C ATOM 469 C LEU A 773 -1.482 -0.353 -6.610 1.00 0.00 C ATOM 470 O LEU A 773 -2.021 0.753 -6.579 1.00 0.00 O ATOM 471 CB LEU A 773 0.954 0.026 -6.184 1.00 0.00 C ATOM 472 CG LEU A 773 2.273 0.512 -6.785 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.960 1.489 -5.844 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.185 -0.667 -7.092 1.00 0.00 C ATOM 0 H LEU A 773 -0.325 1.103 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 773 0.109 -1.584 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.500 0.853 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.176 -0.753 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 773 2.056 1.031 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.897 1.824 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.311 2.348 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.165 0.996 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.119 -0.303 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.395 -1.214 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.695 -1.330 -7.804 1.00 0.00 H new ATOM 486 N ARG A 774 -2.070 -1.458 -6.162 1.00 0.00 N ATOM 487 CA ARG A 774 -3.413 -1.433 -5.597 1.00 0.00 C ATOM 488 C ARG A 774 -3.385 -0.949 -4.150 1.00 0.00 C ATOM 489 O ARG A 774 -2.848 -1.622 -3.269 1.00 0.00 O ATOM 490 CB ARG A 774 -4.045 -2.824 -5.668 1.00 0.00 C ATOM 491 CG ARG A 774 -4.215 -3.343 -7.087 1.00 0.00 C ATOM 492 CD ARG A 774 -5.270 -4.437 -7.157 1.00 0.00 C ATOM 493 NE ARG A 774 -5.442 -4.945 -8.515 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.493 -5.657 -8.906 1.00 0.00 C ATOM 495 NH1 ARG A 774 -7.461 -5.944 -8.045 1.00 0.00 N ATOM 496 NH2 ARG A 774 -6.579 -6.084 -10.159 1.00 0.00 N ATOM 0 H ARG A 774 -1.637 -2.381 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.014 -0.738 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.427 -3.524 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.020 -2.797 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -4.497 -2.521 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.263 -3.730 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -4.987 -5.257 -6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.221 -4.048 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 774 -4.715 -4.742 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -7.399 -5.618 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -8.267 -6.491 -8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -5.837 -5.866 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -7.387 -6.631 -10.457 1.00 0.00 H new ATOM 510 N LEU A 775 -3.967 0.221 -3.912 1.00 0.00 N ATOM 511 CA LEU A 775 -4.009 0.796 -2.572 1.00 0.00 C ATOM 512 C LEU A 775 -5.215 0.278 -1.794 1.00 0.00 C ATOM 513 O LEU A 775 -6.304 0.848 -1.865 1.00 0.00 O ATOM 514 CB LEU A 775 -4.057 2.323 -2.652 1.00 0.00 C ATOM 515 CG LEU A 775 -3.045 2.978 -3.592 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.187 4.492 -3.558 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.628 2.565 -3.221 1.00 0.00 C ATOM 0 H LEU A 775 -4.416 0.790 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.104 0.494 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.058 2.619 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -3.905 2.724 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.248 2.637 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.459 4.941 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.193 4.770 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.011 4.851 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.921 3.041 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.414 2.876 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.533 1.482 -3.298 1.00 0.00 H new ATOM 529 N HIS A 776 -5.012 -0.805 -1.051 1.00 0.00 N ATOM 530 CA HIS A 776 -6.082 -1.399 -0.257 1.00 0.00 C ATOM 531 C HIS A 776 -6.746 -0.351 0.631 1.00 0.00 C ATOM 532 O HIS A 776 -7.932 -0.060 0.481 1.00 0.00 O ATOM 533 CB HIS A 776 -5.536 -2.539 0.602 1.00 0.00 C ATOM 534 CG HIS A 776 -4.893 -3.634 -0.193 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.740 -4.919 0.282 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.363 -3.629 -1.438 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.143 -5.658 -0.636 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.904 -4.898 -1.690 1.00 0.00 N ATOM 0 H HIS A 776 -4.117 -1.289 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.831 -1.797 -0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.807 -2.136 1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.350 -2.960 1.192 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.311 -2.784 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.893 -6.704 -0.541 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -3.452 -5.204 -2.551 1.00 0.00 H new ATOM 546 N GLU A 777 -5.973 0.212 1.554 1.00 0.00 N ATOM 547 CA GLU A 777 -6.488 1.227 2.465 1.00 0.00 C ATOM 548 C GLU A 777 -5.358 2.104 2.997 1.00 0.00 C ATOM 549 O GLU A 777 -4.192 1.710 2.982 1.00 0.00 O ATOM 550 CB GLU A 777 -7.229 0.568 3.631 1.00 0.00 C ATOM 551 CG GLU A 777 -7.689 1.552 4.694 1.00 0.00 C ATOM 552 CD GLU A 777 -8.493 0.888 5.794 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.727 0.772 5.638 1.00 0.00 O ATOM 554 OE2 GLU A 777 -7.890 0.485 6.810 1.00 0.00 O ATOM 0 H GLU A 777 -4.989 -0.017 1.691 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.184 1.857 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.096 0.033 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.577 -0.174 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.819 2.043 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.293 2.330 4.227 1.00 0.00 H new ATOM 561 N ARG A 778 -5.713 3.296 3.467 1.00 0.00 N ATOM 562 CA ARG A 778 -4.730 4.230 4.002 1.00 0.00 C ATOM 563 C ARG A 778 -4.048 3.652 5.239 1.00 0.00 C ATOM 564 O ARG A 778 -4.652 3.560 6.307 1.00 0.00 O ATOM 565 CB ARG A 778 -5.397 5.562 4.349 1.00 0.00 C ATOM 566 CG ARG A 778 -4.414 6.709 4.520 1.00 0.00 C ATOM 567 CD ARG A 778 -3.860 7.172 3.182 1.00 0.00 C ATOM 568 NE ARG A 778 -4.676 8.226 2.587 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.602 9.503 2.943 1.00 0.00 C ATOM 570 NH1 ARG A 778 -3.753 9.883 3.888 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.379 10.404 2.355 1.00 0.00 N ATOM 0 H ARG A 778 -6.674 3.637 3.488 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.973 4.400 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.108 5.818 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.968 5.444 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.909 7.543 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.594 6.394 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.841 7.535 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.808 6.325 2.498 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.340 7.967 1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -3.155 9.194 4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -3.698 10.865 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.034 10.116 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.321 11.385 2.630 1.00 0.00 H new ATOM 585 N ALA A 779 -2.786 3.264 5.086 1.00 0.00 N ATOM 586 CA ALA A 779 -2.022 2.697 6.190 1.00 0.00 C ATOM 587 C ALA A 779 -1.695 3.760 7.234 1.00 0.00 C ATOM 588 O ALA A 779 -1.979 3.586 8.420 1.00 0.00 O ATOM 589 CB ALA A 779 -0.745 2.053 5.672 1.00 0.00 C ATOM 0 H ALA A 779 -2.271 3.332 4.208 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.634 1.932 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.184 1.634 6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.997 1.259 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.137 2.804 5.168 1.00 0.00 H new ATOM 595 N SER A 780 -1.097 4.859 6.786 1.00 0.00 N ATOM 596 CA SER A 780 -0.727 5.947 7.683 1.00 0.00 C ATOM 597 C SER A 780 -0.376 7.205 6.895 1.00 0.00 C ATOM 598 O SER A 780 -0.512 7.243 5.672 1.00 0.00 O ATOM 599 CB SER A 780 0.456 5.534 8.560 1.00 0.00 C ATOM 600 OG SER A 780 0.642 6.447 9.629 1.00 0.00 O ATOM 0 H SER A 780 -0.858 5.019 5.807 1.00 0.00 H new ATOM 0 HA SER A 780 -1.583 6.166 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.286 4.533 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.362 5.487 7.956 1.00 0.00 H new ATOM 0 HG SER A 780 -0.228 6.790 9.922 1.00 0.00 H new ATOM 606 N SER A 781 0.076 8.234 7.605 1.00 0.00 N ATOM 607 CA SER A 781 0.444 9.496 6.973 1.00 0.00 C ATOM 608 C SER A 781 1.593 9.297 5.989 1.00 0.00 C ATOM 609 O SER A 781 2.658 8.799 6.355 1.00 0.00 O ATOM 610 CB SER A 781 0.838 10.526 8.034 1.00 0.00 C ATOM 611 OG SER A 781 -0.306 11.162 8.577 1.00 0.00 O ATOM 0 H SER A 781 0.196 8.219 8.618 1.00 0.00 H new ATOM 0 HA SER A 781 -0.422 9.864 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 781 1.398 10.036 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 781 1.498 11.273 7.593 1.00 0.00 H new ATOM 0 HG SER A 781 -0.028 11.814 9.254 1.00 0.00 H new ATOM 617 N ASP A 782 1.368 9.688 4.740 1.00 0.00 N ATOM 618 CA ASP A 782 2.384 9.554 3.702 1.00 0.00 C ATOM 619 C ASP A 782 2.709 8.086 3.447 1.00 0.00 C ATOM 620 O ASP A 782 3.810 7.751 3.010 1.00 0.00 O ATOM 621 CB ASP A 782 3.653 10.308 4.101 1.00 0.00 C ATOM 622 CG ASP A 782 3.637 11.753 3.641 1.00 0.00 C ATOM 623 OD1 ASP A 782 3.369 11.992 2.445 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.890 12.644 4.478 1.00 0.00 O ATOM 0 H ASP A 782 0.491 10.100 4.421 1.00 0.00 H new ATOM 0 HA ASP A 782 1.988 9.985 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.766 10.276 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.521 9.804 3.675 1.00 0.00 H new ATOM 629 N TRP A 783 1.745 7.215 3.723 1.00 0.00 N ATOM 630 CA TRP A 783 1.929 5.782 3.523 1.00 0.00 C ATOM 631 C TRP A 783 0.605 5.104 3.191 1.00 0.00 C ATOM 632 O TRP A 783 -0.452 5.519 3.667 1.00 0.00 O ATOM 633 CB TRP A 783 2.542 5.147 4.773 1.00 0.00 C ATOM 634 CG TRP A 783 4.005 5.434 4.928 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.574 6.389 5.721 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.084 4.761 4.270 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.942 6.350 5.597 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.280 5.359 4.713 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.158 3.710 3.353 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.531 4.941 4.268 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.400 3.296 2.911 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.573 3.910 3.369 1.00 0.00 C ATOM 0 H TRP A 783 0.828 7.476 4.086 1.00 0.00 H new ATOM 0 HA TRP A 783 2.608 5.642 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.012 5.511 5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.393 4.068 4.734 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.029 7.074 6.353 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.599 6.960 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.260 3.229 2.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.436 5.414 4.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.468 2.485 2.200 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.529 3.563 3.006 1.00 0.00 H new ATOM 653 N TRP A 784 0.669 4.060 2.372 1.00 0.00 N ATOM 654 CA TRP A 784 -0.527 3.324 1.977 1.00 0.00 C ATOM 655 C TRP A 784 -0.312 1.821 2.116 1.00 0.00 C ATOM 656 O TRP A 784 0.779 1.371 2.466 1.00 0.00 O ATOM 657 CB TRP A 784 -0.908 3.666 0.536 1.00 0.00 C ATOM 658 CG TRP A 784 -1.330 5.093 0.356 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.524 6.195 0.377 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.660 5.571 0.128 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.273 7.330 0.177 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.586 6.974 0.021 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.906 4.951 0.003 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.711 7.763 -0.205 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.021 5.736 -0.221 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.918 7.129 -0.323 1.00 0.00 C ATOM 0 H TRP A 784 1.536 3.704 1.969 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.340 3.618 2.640 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.058 3.461 -0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.719 3.012 0.217 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.545 6.177 0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.910 8.283 0.149 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.996 3.878 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.634 8.837 -0.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.989 5.267 -0.319 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.809 7.714 -0.498 1.00 0.00 H new ATOM 677 N ARG A 785 -1.359 1.050 1.841 1.00 0.00 N ATOM 678 CA ARG A 785 -1.284 -0.403 1.937 1.00 0.00 C ATOM 679 C ARG A 785 -1.674 -1.055 0.614 1.00 0.00 C ATOM 680 O ARG A 785 -2.822 -0.967 0.181 1.00 0.00 O ATOM 681 CB ARG A 785 -2.196 -0.909 3.056 1.00 0.00 C ATOM 682 CG ARG A 785 -1.503 -1.018 4.404 1.00 0.00 C ATOM 683 CD ARG A 785 -2.497 -1.292 5.521 1.00 0.00 C ATOM 684 NE ARG A 785 -3.188 -2.566 5.338 1.00 0.00 N ATOM 685 CZ ARG A 785 -3.762 -3.239 6.329 1.00 0.00 C ATOM 686 NH1 ARG A 785 -3.728 -2.763 7.566 1.00 0.00 N ATOM 687 NH2 ARG A 785 -4.372 -4.392 6.083 1.00 0.00 N ATOM 0 H ARG A 785 -2.269 1.407 1.550 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.254 -0.675 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.050 -0.238 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.589 -1.887 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.763 -1.817 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -0.965 -0.094 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -1.975 -1.297 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -3.229 -0.485 5.561 1.00 0.00 H new ATOM 0 HE ARG A 785 -3.232 -2.960 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -3.260 -1.877 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -4.170 -3.282 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -4.400 -4.762 5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -4.813 -4.908 6.844 1.00 0.00 H new ATOM 701 N GLY A 786 -0.709 -1.711 -0.024 1.00 0.00 N ATOM 702 CA GLY A 786 -0.970 -2.368 -1.291 1.00 0.00 C ATOM 703 C GLY A 786 -0.257 -3.700 -1.412 1.00 0.00 C ATOM 704 O GLY A 786 0.391 -4.151 -0.468 1.00 0.00 O ATOM 0 H GLY A 786 0.249 -1.799 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.043 -2.523 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.656 -1.716 -2.106 1.00 0.00 H new ATOM 708 N GLU A 787 -0.377 -4.331 -2.576 1.00 0.00 N ATOM 709 CA GLU A 787 0.261 -5.620 -2.814 1.00 0.00 C ATOM 710 C GLU A 787 0.891 -5.667 -4.203 1.00 0.00 C ATOM 711 O GLU A 787 0.190 -5.679 -5.215 1.00 0.00 O ATOM 712 CB GLU A 787 -0.757 -6.753 -2.666 1.00 0.00 C ATOM 713 CG GLU A 787 -0.311 -8.059 -3.300 1.00 0.00 C ATOM 714 CD GLU A 787 -1.426 -9.085 -3.369 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.605 -8.678 -3.433 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.119 -10.296 -3.359 1.00 0.00 O ATOM 0 H GLU A 787 -0.910 -3.971 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 787 1.049 -5.749 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.950 -6.921 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.700 -6.444 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 787 0.059 -7.862 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.521 -8.470 -2.729 1.00 0.00 H new ATOM 723 N HIS A 788 2.220 -5.692 -4.243 1.00 0.00 N ATOM 724 CA HIS A 788 2.946 -5.738 -5.507 1.00 0.00 C ATOM 725 C HIS A 788 2.986 -7.159 -6.060 1.00 0.00 C ATOM 726 O HIS A 788 2.398 -8.075 -5.487 1.00 0.00 O ATOM 727 CB HIS A 788 4.369 -5.210 -5.321 1.00 0.00 C ATOM 728 CG HIS A 788 4.918 -4.527 -6.536 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.265 -4.303 -6.729 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.294 -4.020 -7.625 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.445 -3.685 -7.883 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.264 -3.503 -8.447 1.00 0.00 N ATOM 0 H HIS A 788 2.815 -5.681 -3.415 1.00 0.00 H new ATOM 0 HA HIS A 788 2.422 -5.104 -6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.382 -4.511 -4.484 1.00 0.00 H new ATOM 0 HB3 HIS A 788 5.024 -6.040 -5.054 1.00 0.00 H new ATOM 0 HD1 HIS A 788 7.006 -4.572 -6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.230 -4.022 -7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.396 -3.380 -8.295 1.00 0.00 H new ATOM 740 N ASN A 789 3.684 -7.335 -7.177 1.00 0.00 N ATOM 741 CA ASN A 789 3.800 -8.645 -7.808 1.00 0.00 C ATOM 742 C ASN A 789 4.274 -9.692 -6.805 1.00 0.00 C ATOM 743 O ASN A 789 5.473 -9.867 -6.593 1.00 0.00 O ATOM 744 CB ASN A 789 4.768 -8.580 -8.991 1.00 0.00 C ATOM 745 CG ASN A 789 4.081 -8.174 -10.280 1.00 0.00 C ATOM 746 OD1 ASN A 789 3.042 -7.513 -10.260 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.659 -8.568 -11.408 1.00 0.00 N ATOM 0 H ASN A 789 4.178 -6.587 -7.664 1.00 0.00 H new ATOM 0 HA ASN A 789 2.814 -8.935 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 789 5.563 -7.869 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.239 -9.554 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 789 4.242 -8.324 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.520 -9.114 -11.376 1.00 0.00 H new ATOM 754 N GLY A 790 3.322 -10.387 -6.189 1.00 0.00 N ATOM 755 CA GLY A 790 3.661 -11.409 -5.216 1.00 0.00 C ATOM 756 C GLY A 790 4.235 -10.826 -3.939 1.00 0.00 C ATOM 757 O GLY A 790 4.849 -11.538 -3.145 1.00 0.00 O ATOM 0 H GLY A 790 2.322 -10.260 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.770 -11.990 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.383 -12.098 -5.654 1.00 0.00 H new ATOM 761 N MET A 791 4.036 -9.527 -3.742 1.00 0.00 N ATOM 762 CA MET A 791 4.538 -8.848 -2.553 1.00 0.00 C ATOM 763 C MET A 791 3.422 -8.080 -1.853 1.00 0.00 C ATOM 764 O MET A 791 2.502 -7.578 -2.498 1.00 0.00 O ATOM 765 CB MET A 791 5.674 -7.894 -2.926 1.00 0.00 C ATOM 766 CG MET A 791 7.054 -8.524 -2.831 1.00 0.00 C ATOM 767 SD MET A 791 8.331 -7.522 -3.615 1.00 0.00 S ATOM 768 CE MET A 791 9.211 -6.911 -2.179 1.00 0.00 C ATOM 0 H MET A 791 3.531 -8.923 -4.390 1.00 0.00 H new ATOM 0 HA MET A 791 4.919 -9.604 -1.867 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.517 -7.535 -3.943 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.636 -7.023 -2.272 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.309 -8.674 -1.782 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.032 -9.509 -3.298 1.00 0.00 H new ATOM 0 HE1 MET A 791 10.034 -6.273 -2.501 1.00 0.00 H new ATOM 0 HE2 MET A 791 8.530 -6.336 -1.552 1.00 0.00 H new ATOM 0 HE3 MET A 791 9.606 -7.752 -1.609 1.00 0.00 H new ATOM 778 N ARG A 792 3.510 -7.994 -0.529 1.00 0.00 N ATOM 779 CA ARG A 792 2.506 -7.288 0.258 1.00 0.00 C ATOM 780 C ARG A 792 3.164 -6.422 1.328 1.00 0.00 C ATOM 781 O ARG A 792 4.074 -6.865 2.027 1.00 0.00 O ATOM 782 CB ARG A 792 1.547 -8.284 0.913 1.00 0.00 C ATOM 783 CG ARG A 792 0.674 -9.033 -0.082 1.00 0.00 C ATOM 784 CD ARG A 792 -0.409 -9.835 0.622 1.00 0.00 C ATOM 785 NE ARG A 792 0.116 -11.065 1.210 1.00 0.00 N ATOM 786 CZ ARG A 792 -0.556 -11.806 2.084 1.00 0.00 C ATOM 787 NH1 ARG A 792 -1.772 -11.445 2.469 1.00 0.00 N ATOM 788 NH2 ARG A 792 -0.011 -12.913 2.574 1.00 0.00 N ATOM 0 H ARG A 792 4.265 -8.404 0.020 1.00 0.00 H new ATOM 0 HA ARG A 792 1.944 -6.640 -0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.125 -9.005 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.907 -7.751 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.214 -8.324 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.293 -9.702 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.862 -9.225 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -1.198 -10.081 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 792 1.049 -11.371 0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -2.195 -10.596 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -2.285 -12.016 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 792 0.924 -13.195 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -0.527 -13.482 3.245 1.00 0.00 H new ATOM 802 N GLY A 793 2.698 -5.183 1.449 1.00 0.00 N ATOM 803 CA GLY A 793 3.253 -4.274 2.434 1.00 0.00 C ATOM 804 C GLY A 793 2.759 -2.852 2.256 1.00 0.00 C ATOM 805 O GLY A 793 1.772 -2.613 1.557 1.00 0.00 O ATOM 0 H GLY A 793 1.945 -4.792 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 793 2.992 -4.623 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.341 -4.289 2.365 1.00 0.00 H new ATOM 809 N LEU A 794 3.443 -1.905 2.888 1.00 0.00 N ATOM 810 CA LEU A 794 3.067 -0.499 2.797 1.00 0.00 C ATOM 811 C LEU A 794 3.546 0.109 1.483 1.00 0.00 C ATOM 812 O LEU A 794 4.270 -0.530 0.720 1.00 0.00 O ATOM 813 CB LEU A 794 3.649 0.282 3.977 1.00 0.00 C ATOM 814 CG LEU A 794 3.216 -0.181 5.368 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.313 0.091 6.386 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.921 0.504 5.780 1.00 0.00 C ATOM 0 H LEU A 794 4.261 -2.085 3.469 1.00 0.00 H new ATOM 0 HA LEU A 794 1.979 -0.436 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.736 0.229 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.374 1.331 3.863 1.00 0.00 H new ATOM 0 HG LEU A 794 3.039 -1.256 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 794 3.987 -0.245 7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.217 -0.447 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.522 1.160 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.628 0.162 6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.070 1.584 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.136 0.258 5.065 1.00 0.00 H new ATOM 828 N ILE A 795 3.140 1.348 1.228 1.00 0.00 N ATOM 829 CA ILE A 795 3.531 2.043 0.008 1.00 0.00 C ATOM 830 C ILE A 795 3.718 3.536 0.261 1.00 0.00 C ATOM 831 O ILE A 795 2.893 4.190 0.900 1.00 0.00 O ATOM 832 CB ILE A 795 2.488 1.851 -1.109 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.444 0.385 -1.548 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.806 2.754 -2.292 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.317 0.076 -2.508 1.00 0.00 C ATOM 0 H ILE A 795 2.541 1.891 1.850 1.00 0.00 H new ATOM 0 HA ILE A 795 4.478 1.609 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 795 1.507 2.125 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.393 0.126 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.343 -0.247 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 795 2.060 2.607 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.793 3.795 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.793 2.508 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.347 -0.980 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.362 0.303 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.428 0.682 -3.407 1.00 0.00 H new ATOM 847 N PRO A 796 4.827 4.089 -0.252 1.00 0.00 N ATOM 848 CA PRO A 796 5.147 5.511 -0.096 1.00 0.00 C ATOM 849 C PRO A 796 4.211 6.407 -0.899 1.00 0.00 C ATOM 850 O PRO A 796 4.149 6.317 -2.126 1.00 0.00 O ATOM 851 CB PRO A 796 6.577 5.613 -0.634 1.00 0.00 C ATOM 852 CG PRO A 796 6.707 4.472 -1.584 1.00 0.00 C ATOM 853 CD PRO A 796 5.853 3.368 -1.024 1.00 0.00 C ATOM 0 HA PRO A 796 5.040 5.842 0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.744 6.566 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.309 5.543 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.373 4.755 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.746 4.155 -1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.410 2.763 -1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.431 2.694 -0.392 1.00 0.00 H new ATOM 861 N HIS A 797 3.483 7.272 -0.200 1.00 0.00 N ATOM 862 CA HIS A 797 2.549 8.186 -0.849 1.00 0.00 C ATOM 863 C HIS A 797 3.297 9.240 -1.660 1.00 0.00 C ATOM 864 O HIS A 797 2.735 9.854 -2.567 1.00 0.00 O ATOM 865 CB HIS A 797 1.659 8.864 0.193 1.00 0.00 C ATOM 866 CG HIS A 797 0.720 9.875 -0.388 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.440 9.532 -1.050 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.774 11.228 -0.402 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.058 10.630 -1.448 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.342 11.673 -1.067 1.00 0.00 N ATOM 0 H HIS A 797 3.522 7.359 0.816 1.00 0.00 H new ATOM 0 HA HIS A 797 1.923 7.606 -1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 797 1.081 8.102 0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.290 9.351 0.936 1.00 0.00 H new ATOM 0 HD1 HIS A 797 -0.769 8.580 -1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.550 11.843 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -1.990 10.668 -1.992 1.00 0.00 H new ATOM 878 N LYS A 798 4.566 9.445 -1.327 1.00 0.00 N ATOM 879 CA LYS A 798 5.392 10.425 -2.023 1.00 0.00 C ATOM 880 C LYS A 798 5.833 9.895 -3.384 1.00 0.00 C ATOM 881 O LYS A 798 5.916 10.646 -4.356 1.00 0.00 O ATOM 882 CB LYS A 798 6.619 10.780 -1.181 1.00 0.00 C ATOM 883 CG LYS A 798 7.654 11.602 -1.929 1.00 0.00 C ATOM 884 CD LYS A 798 9.006 11.562 -1.237 1.00 0.00 C ATOM 885 CE LYS A 798 9.124 12.649 -0.180 1.00 0.00 C ATOM 886 NZ LYS A 798 10.540 13.053 0.044 1.00 0.00 N ATOM 0 H LYS A 798 5.046 8.945 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 798 4.794 11.323 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.296 11.333 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 798 7.085 9.860 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.754 11.224 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.314 12.635 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 798 9.150 10.586 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 798 9.798 11.684 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.542 13.518 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.695 12.293 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 10.578 13.795 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 11.090 12.229 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 10.942 13.417 -0.844 1.00 0.00 H new ATOM 900 N TYR A 799 6.112 8.598 -3.447 1.00 0.00 N ATOM 901 CA TYR A 799 6.545 7.968 -4.689 1.00 0.00 C ATOM 902 C TYR A 799 5.357 7.381 -5.445 1.00 0.00 C ATOM 903 O TYR A 799 5.464 6.322 -6.064 1.00 0.00 O ATOM 904 CB TYR A 799 7.572 6.872 -4.398 1.00 0.00 C ATOM 905 CG TYR A 799 8.920 7.404 -3.969 1.00 0.00 C ATOM 906 CD1 TYR A 799 9.067 8.097 -2.774 1.00 0.00 C ATOM 907 CD2 TYR A 799 10.048 7.214 -4.759 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.297 8.585 -2.378 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.282 7.697 -4.370 1.00 0.00 C ATOM 910 CZ TYR A 799 11.402 8.382 -3.179 1.00 0.00 C ATOM 911 OH TYR A 799 12.629 8.866 -2.789 1.00 0.00 O ATOM 0 H TYR A 799 6.046 7.962 -2.652 1.00 0.00 H new ATOM 0 HA TYR A 799 7.007 8.733 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.183 6.219 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.700 6.259 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 799 8.205 8.257 -2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.958 6.679 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.393 9.123 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.148 7.539 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 799 13.301 8.637 -3.465 1.00 0.00 H new ATOM 921 N ILE A 800 4.227 8.077 -5.389 1.00 0.00 N ATOM 922 CA ILE A 800 3.019 7.627 -6.069 1.00 0.00 C ATOM 923 C ILE A 800 2.051 8.783 -6.296 1.00 0.00 C ATOM 924 O ILE A 800 2.105 9.798 -5.600 1.00 0.00 O ATOM 925 CB ILE A 800 2.302 6.521 -5.271 1.00 0.00 C ATOM 926 CG1 ILE A 800 2.068 6.974 -3.828 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.112 5.234 -5.304 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.749 7.685 -3.624 1.00 0.00 C ATOM 0 H ILE A 800 4.123 8.955 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 800 3.332 7.224 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 800 1.334 6.329 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.108 6.105 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.879 7.637 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.592 4.462 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.232 4.906 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.093 5.410 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.651 7.977 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.714 8.574 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.070 7.017 -3.892 1.00 0.00 H new ATOM 940 N THR A 801 1.165 8.624 -7.273 1.00 0.00 N ATOM 941 CA THR A 801 0.184 9.654 -7.592 1.00 0.00 C ATOM 942 C THR A 801 -1.203 9.052 -7.784 1.00 0.00 C ATOM 943 O THR A 801 -1.496 8.462 -8.825 1.00 0.00 O ATOM 944 CB THR A 801 0.576 10.429 -8.864 1.00 0.00 C ATOM 945 OG1 THR A 801 1.855 11.049 -8.686 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.465 11.487 -9.195 1.00 0.00 C ATOM 0 H THR A 801 1.106 7.791 -7.858 1.00 0.00 H new ATOM 0 HA THR A 801 0.164 10.343 -6.748 1.00 0.00 H new ATOM 0 HB THR A 801 0.628 9.722 -9.692 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.097 11.538 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.167 12.021 -10.097 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.431 11.009 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.545 12.191 -8.366 1.00 0.00 H new ATOM 954 N LEU A 802 -2.054 9.205 -6.776 1.00 0.00 N ATOM 955 CA LEU A 802 -3.413 8.677 -6.835 1.00 0.00 C ATOM 956 C LEU A 802 -4.113 9.117 -8.116 1.00 0.00 C ATOM 957 O LEU A 802 -3.746 10.110 -8.744 1.00 0.00 O ATOM 958 CB LEU A 802 -4.214 9.140 -5.617 1.00 0.00 C ATOM 959 CG LEU A 802 -3.980 8.360 -4.323 1.00 0.00 C ATOM 960 CD1 LEU A 802 -2.859 8.993 -3.514 1.00 0.00 C ATOM 961 CD2 LEU A 802 -5.260 8.292 -3.502 1.00 0.00 C ATOM 0 H LEU A 802 -1.828 9.690 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.354 7.589 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.982 10.189 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.275 9.087 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 802 -3.684 7.344 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -2.707 8.425 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -1.940 8.989 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -3.126 10.020 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -5.075 7.733 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -5.586 9.302 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -6.037 7.792 -4.080 1.00 0.00 H new ATOM 973 N PRO A 803 -5.148 8.362 -8.514 1.00 0.00 N ATOM 974 CA PRO A 803 -5.924 8.656 -9.723 1.00 0.00 C ATOM 975 C PRO A 803 -6.772 9.915 -9.575 1.00 0.00 C ATOM 976 O PRO A 803 -6.801 10.534 -8.512 1.00 0.00 O ATOM 977 CB PRO A 803 -6.819 7.424 -9.879 1.00 0.00 C ATOM 978 CG PRO A 803 -6.947 6.873 -8.501 1.00 0.00 C ATOM 979 CD PRO A 803 -5.641 7.164 -7.815 1.00 0.00 C ATOM 0 HA PRO A 803 -5.282 8.845 -10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.792 7.691 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.375 6.695 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.778 7.338 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.144 5.801 -8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.779 7.349 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.945 6.330 -7.906 1.00 0.00 H new ATOM 987 N ALA A 804 -7.461 10.288 -10.649 1.00 0.00 N ATOM 988 CA ALA A 804 -8.311 11.472 -10.637 1.00 0.00 C ATOM 989 C ALA A 804 -9.372 11.375 -9.547 1.00 0.00 C ATOM 990 O ALA A 804 -10.455 10.834 -9.766 1.00 0.00 O ATOM 991 CB ALA A 804 -8.965 11.665 -11.997 1.00 0.00 C ATOM 0 H ALA A 804 -7.447 9.787 -11.538 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.684 12.337 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -9.597 12.553 -11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -8.194 11.788 -12.757 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -9.573 10.793 -12.235 1.00 0.00 H new ATOM 997 N GLY A 805 -9.054 11.904 -8.369 1.00 0.00 N ATOM 998 CA GLY A 805 -9.990 11.865 -7.261 1.00 0.00 C ATOM 999 C GLY A 805 -9.315 11.546 -5.942 1.00 0.00 C ATOM 1000 O GLY A 805 -9.361 10.409 -5.470 1.00 0.00 O ATOM 0 H GLY A 805 -8.165 12.359 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -10.496 12.827 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -10.757 11.117 -7.463 1.00 0.00 H new ATOM 1004 N THR A 806 -8.684 12.551 -5.343 1.00 0.00 N ATOM 1005 CA THR A 806 -7.994 12.372 -4.072 1.00 0.00 C ATOM 1006 C THR A 806 -8.725 13.090 -2.943 1.00 0.00 C ATOM 1007 O THR A 806 -8.991 12.504 -1.894 1.00 0.00 O ATOM 1008 CB THR A 806 -6.545 12.891 -4.141 1.00 0.00 C ATOM 1009 OG1 THR A 806 -6.541 14.304 -4.370 1.00 0.00 O ATOM 1010 CG2 THR A 806 -5.772 12.190 -5.249 1.00 0.00 C ATOM 0 H THR A 806 -8.637 13.498 -5.718 1.00 0.00 H new ATOM 0 HA THR A 806 -7.980 11.301 -3.869 1.00 0.00 H new ATOM 0 HB THR A 806 -6.060 12.677 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 806 -5.616 14.626 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 806 -4.752 12.572 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 806 -5.752 11.117 -5.056 1.00 0.00 H new ATOM 0 HG23 THR A 806 -6.258 12.377 -6.206 1.00 0.00 H new ATOM 1018 N GLU A 807 -9.047 14.360 -3.166 1.00 0.00 N ATOM 1019 CA GLU A 807 -9.748 15.157 -2.166 1.00 0.00 C ATOM 1020 C GLU A 807 -10.797 16.051 -2.820 1.00 0.00 C ATOM 1021 O GLU A 807 -10.712 16.360 -4.009 1.00 0.00 O ATOM 1022 CB GLU A 807 -8.755 16.011 -1.375 1.00 0.00 C ATOM 1023 CG GLU A 807 -9.196 16.295 0.051 1.00 0.00 C ATOM 1024 CD GLU A 807 -8.872 15.157 0.999 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -9.452 14.063 0.833 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -8.038 15.359 1.907 1.00 0.00 O ATOM 0 H GLU A 807 -8.834 14.859 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 807 -10.253 14.474 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -7.790 15.505 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -8.607 16.957 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -8.711 17.205 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -10.270 16.480 0.065 1.00 0.00 H new ATOM 1033 N LYS A 808 -11.787 16.463 -2.036 1.00 0.00 N ATOM 1034 CA LYS A 808 -12.853 17.322 -2.536 1.00 0.00 C ATOM 1035 C LYS A 808 -12.374 18.764 -2.667 1.00 0.00 C ATOM 1036 O LYS A 808 -12.988 19.683 -2.126 1.00 0.00 O ATOM 1037 CB LYS A 808 -14.066 17.259 -1.604 1.00 0.00 C ATOM 1038 CG LYS A 808 -15.336 17.821 -2.220 1.00 0.00 C ATOM 1039 CD LYS A 808 -16.467 17.883 -1.208 1.00 0.00 C ATOM 1040 CE LYS A 808 -17.709 18.532 -1.798 1.00 0.00 C ATOM 1041 NZ LYS A 808 -18.829 18.580 -0.818 1.00 0.00 N ATOM 0 H LYS A 808 -11.873 16.215 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 808 -13.142 16.963 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -14.240 16.222 -1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -13.841 17.809 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -15.141 18.820 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -15.636 17.202 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -16.708 16.876 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -16.143 18.445 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -17.469 19.544 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -18.024 17.977 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -19.657 19.029 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -19.075 17.613 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -18.538 19.131 0.015 1.00 0.00 H new ATOM 1055 N GLN A 809 -11.275 18.954 -3.390 1.00 0.00 N ATOM 1056 CA GLN A 809 -10.715 20.285 -3.592 1.00 0.00 C ATOM 1057 C GLN A 809 -10.559 20.591 -5.078 1.00 0.00 C ATOM 1058 O GLN A 809 -9.456 20.532 -5.622 1.00 0.00 O ATOM 1059 CB GLN A 809 -9.361 20.404 -2.890 1.00 0.00 C ATOM 1060 CG GLN A 809 -9.463 20.857 -1.443 1.00 0.00 C ATOM 1061 CD GLN A 809 -9.894 22.305 -1.314 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -10.647 22.817 -2.142 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -9.417 22.974 -0.270 1.00 0.00 N ATOM 0 H GLN A 809 -10.755 18.204 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 809 -11.405 21.011 -3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -8.857 19.438 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -8.737 21.109 -3.439 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -10.175 20.222 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -8.497 20.725 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -8.795 22.510 0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -9.673 23.952 -0.131 1.00 0.00 H new ATOM 1072 N VAL A 810 -11.671 20.917 -5.730 1.00 0.00 N ATOM 1073 CA VAL A 810 -11.658 21.232 -7.153 1.00 0.00 C ATOM 1074 C VAL A 810 -12.542 22.436 -7.458 1.00 0.00 C ATOM 1075 O VAL A 810 -13.316 22.881 -6.610 1.00 0.00 O ATOM 1076 CB VAL A 810 -12.132 20.034 -7.998 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -11.188 18.853 -7.828 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -13.555 19.648 -7.622 1.00 0.00 C ATOM 0 H VAL A 810 -12.592 20.970 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 810 -10.626 21.467 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 810 -12.124 20.326 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -11.539 18.017 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -10.187 19.138 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -11.161 18.557 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -13.874 18.800 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -13.591 19.374 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -14.220 20.493 -7.801 1.00 0.00 H new ATOM 1088 N VAL A 811 -12.422 22.959 -8.674 1.00 0.00 N ATOM 1089 CA VAL A 811 -13.211 24.112 -9.091 1.00 0.00 C ATOM 1090 C VAL A 811 -14.359 23.690 -10.002 1.00 0.00 C ATOM 1091 O VAL A 811 -14.142 23.255 -11.132 1.00 0.00 O ATOM 1092 CB VAL A 811 -12.343 25.150 -9.826 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -13.197 26.308 -10.319 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -11.227 25.648 -8.919 1.00 0.00 C ATOM 0 H VAL A 811 -11.786 22.603 -9.387 1.00 0.00 H new ATOM 0 HA VAL A 811 -13.615 24.564 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 811 -11.889 24.670 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -12.566 27.031 -10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -13.957 25.934 -11.005 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -13.681 26.790 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -10.623 26.381 -9.454 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -11.659 26.112 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -10.599 24.809 -8.621 1.00 0.00 H new ATOM 1104 N GLY A 812 -15.584 23.824 -9.502 1.00 0.00 N ATOM 1105 CA GLY A 812 -16.749 23.454 -10.283 1.00 0.00 C ATOM 1106 C GLY A 812 -16.965 24.369 -11.472 1.00 0.00 C ATOM 1107 O GLY A 812 -16.189 25.298 -11.698 1.00 0.00 O ATOM 0 H GLY A 812 -15.790 24.182 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -16.636 22.428 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -17.633 23.478 -9.645 1.00 0.00 H new ATOM 1111 N ALA A 813 -18.022 24.108 -12.234 1.00 0.00 N ATOM 1112 CA ALA A 813 -18.338 24.916 -13.405 1.00 0.00 C ATOM 1113 C ALA A 813 -19.844 24.989 -13.631 1.00 0.00 C ATOM 1114 O ALA A 813 -20.524 23.966 -13.683 1.00 0.00 O ATOM 1115 CB ALA A 813 -17.644 24.354 -14.637 1.00 0.00 C ATOM 0 H ALA A 813 -18.674 23.343 -12.061 1.00 0.00 H new ATOM 0 HA ALA A 813 -17.974 25.928 -13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 813 -17.889 24.967 -15.504 1.00 0.00 H new ATOM 0 HB2 ALA A 813 -16.565 24.360 -14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 813 -17.980 23.332 -14.809 1.00 0.00 H new ATOM 1121 N GLY A 814 -20.359 26.208 -13.765 1.00 0.00 N ATOM 1122 CA GLY A 814 -21.782 26.392 -13.983 1.00 0.00 C ATOM 1123 C GLY A 814 -22.221 27.826 -13.766 1.00 0.00 C ATOM 1124 O GLY A 814 -22.701 28.482 -14.691 1.00 0.00 O ATOM 0 H GLY A 814 -19.816 27.071 -13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -22.033 26.088 -14.999 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -22.337 25.739 -13.309 1.00 0.00 H new TER 1128 GLY A 814