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 Set 1.1: A 788 HIS : no HD1:sc= -2.67 K(o=-2.8,f=-3.5) USER MOD Set 1.2: A 791 MET CE :methyl -158:sc= -0.179 (180deg=-1.01) 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 USER MOD Single : A 754 CYS SG : rot 180:sc= -2.33! USER MOD Single : A 757 TYR OH : rot -178:sc= 0.326 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 763 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 766 SER OG : rot 14:sc= 0.726! USER MOD Single : A 776 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-0.63) USER MOD Single : A 780 SER OG : rot 180:sc= -0.0661 USER MOD Single : A 781 SER OG : rot 180:sc=-0.00781 USER MOD Single : A 789 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 797 HIS : no HD1:sc= -1.99! C(o=-2!,f=-8.3!) 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 82:sc= -0.854 USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -21.203 -13.030 20.262 1.00 0.00 N ATOM 2 CA GLY A 739 -21.228 -12.598 18.877 1.00 0.00 C ATOM 3 C GLY A 739 -20.106 -11.632 18.551 1.00 0.00 C ATOM 4 O GLY A 739 -19.410 -11.154 19.446 1.00 0.00 O ATOM 0 HA2 GLY A 739 -21.154 -13.469 18.226 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -22.186 -12.123 18.665 1.00 0.00 H new ATOM 8 N SER A 740 -19.928 -11.347 17.265 1.00 0.00 N ATOM 9 CA SER A 740 -18.879 -10.436 16.822 1.00 0.00 C ATOM 10 C SER A 740 -19.259 -9.768 15.504 1.00 0.00 C ATOM 11 O SER A 740 -20.124 -10.255 14.776 1.00 0.00 O ATOM 12 CB SER A 740 -17.556 -11.188 16.662 1.00 0.00 C ATOM 13 OG SER A 740 -17.565 -11.995 15.497 1.00 0.00 O ATOM 0 H SER A 740 -20.497 -11.734 16.512 1.00 0.00 H new ATOM 0 HA SER A 740 -18.761 -9.662 17.580 1.00 0.00 H new ATOM 0 HB2 SER A 740 -16.733 -10.475 16.608 1.00 0.00 H new ATOM 0 HB3 SER A 740 -17.380 -11.812 17.539 1.00 0.00 H new ATOM 0 HG SER A 740 -16.708 -12.463 15.417 1.00 0.00 H new ATOM 19 N SER A 741 -18.607 -8.649 15.205 1.00 0.00 N ATOM 20 CA SER A 741 -18.879 -7.910 13.978 1.00 0.00 C ATOM 21 C SER A 741 -17.620 -7.210 13.475 1.00 0.00 C ATOM 22 O SER A 741 -16.961 -6.485 14.219 1.00 0.00 O ATOM 23 CB SER A 741 -19.989 -6.884 14.210 1.00 0.00 C ATOM 24 OG SER A 741 -20.426 -6.319 12.987 1.00 0.00 O ATOM 0 H SER A 741 -17.886 -8.234 15.796 1.00 0.00 H new ATOM 0 HA SER A 741 -19.206 -8.622 13.220 1.00 0.00 H new ATOM 0 HB2 SER A 741 -20.829 -7.361 14.714 1.00 0.00 H new ATOM 0 HB3 SER A 741 -19.627 -6.095 14.870 1.00 0.00 H new ATOM 0 HG SER A 741 -21.137 -5.668 13.163 1.00 0.00 H new ATOM 30 N GLY A 742 -17.294 -7.432 12.206 1.00 0.00 N ATOM 31 CA GLY A 742 -16.115 -6.816 11.624 1.00 0.00 C ATOM 32 C GLY A 742 -16.424 -5.490 10.958 1.00 0.00 C ATOM 33 O GLY A 742 -16.726 -4.505 11.631 1.00 0.00 O ATOM 0 H GLY A 742 -17.825 -8.027 11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -15.367 -6.663 12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -15.678 -7.494 10.891 1.00 0.00 H new ATOM 37 N SER A 743 -16.345 -5.464 9.631 1.00 0.00 N ATOM 38 CA SER A 743 -16.613 -4.247 8.873 1.00 0.00 C ATOM 39 C SER A 743 -17.048 -4.579 7.449 1.00 0.00 C ATOM 40 O SER A 743 -16.580 -5.550 6.855 1.00 0.00 O ATOM 41 CB SER A 743 -15.370 -3.355 8.844 1.00 0.00 C ATOM 42 OG SER A 743 -14.315 -3.975 8.130 1.00 0.00 O ATOM 0 H SER A 743 -16.098 -6.271 9.059 1.00 0.00 H new ATOM 0 HA SER A 743 -17.424 -3.712 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 743 -15.615 -2.399 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 743 -15.048 -3.142 9.863 1.00 0.00 H new ATOM 0 HG SER A 743 -13.533 -3.385 8.124 1.00 0.00 H new ATOM 48 N SER A 744 -17.948 -3.764 6.907 1.00 0.00 N ATOM 49 CA SER A 744 -18.450 -3.972 5.554 1.00 0.00 C ATOM 50 C SER A 744 -17.730 -3.064 4.562 1.00 0.00 C ATOM 51 O SER A 744 -18.350 -2.481 3.674 1.00 0.00 O ATOM 52 CB SER A 744 -19.957 -3.710 5.501 1.00 0.00 C ATOM 53 OG SER A 744 -20.645 -4.498 6.457 1.00 0.00 O ATOM 0 H SER A 744 -18.344 -2.954 7.384 1.00 0.00 H new ATOM 0 HA SER A 744 -18.258 -5.009 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 744 -20.153 -2.654 5.687 1.00 0.00 H new ATOM 0 HB3 SER A 744 -20.333 -3.933 4.503 1.00 0.00 H new ATOM 0 HG SER A 744 -21.606 -4.311 6.405 1.00 0.00 H new ATOM 59 N GLY A 745 -16.414 -2.951 4.721 1.00 0.00 N ATOM 60 CA GLY A 745 -15.630 -2.113 3.832 1.00 0.00 C ATOM 61 C GLY A 745 -15.286 -2.811 2.531 1.00 0.00 C ATOM 62 O GLY A 745 -15.112 -4.028 2.500 1.00 0.00 O ATOM 0 H GLY A 745 -15.878 -3.424 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -16.185 -1.200 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -14.710 -1.815 4.335 1.00 0.00 H new ATOM 66 N GLU A 746 -15.189 -2.037 1.454 1.00 0.00 N ATOM 67 CA GLU A 746 -14.866 -2.590 0.144 1.00 0.00 C ATOM 68 C GLU A 746 -14.496 -1.482 -0.837 1.00 0.00 C ATOM 69 O GLU A 746 -14.988 -0.359 -0.737 1.00 0.00 O ATOM 70 CB GLU A 746 -16.048 -3.394 -0.400 1.00 0.00 C ATOM 71 CG GLU A 746 -15.730 -4.154 -1.677 1.00 0.00 C ATOM 72 CD GLU A 746 -15.878 -3.295 -2.918 1.00 0.00 C ATOM 73 OE1 GLU A 746 -16.983 -2.757 -3.139 1.00 0.00 O ATOM 74 OE2 GLU A 746 -14.889 -3.162 -3.669 1.00 0.00 O ATOM 0 H GLU A 746 -15.329 -1.027 1.463 1.00 0.00 H new ATOM 0 HA GLU A 746 -14.008 -3.252 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -16.377 -4.101 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -16.881 -2.717 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -14.711 -4.537 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -16.391 -5.017 -1.756 1.00 0.00 H new ATOM 81 N GLY A 747 -13.624 -1.807 -1.787 1.00 0.00 N ATOM 82 CA GLY A 747 -13.201 -0.829 -2.773 1.00 0.00 C ATOM 83 C GLY A 747 -11.695 -0.668 -2.821 1.00 0.00 C ATOM 84 O GLY A 747 -11.037 -0.592 -1.783 1.00 0.00 O ATOM 0 H GLY A 747 -13.203 -2.730 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.563 -1.129 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.659 0.133 -2.545 1.00 0.00 H new ATOM 88 N VAL A 748 -11.145 -0.618 -4.031 1.00 0.00 N ATOM 89 CA VAL A 748 -9.706 -0.466 -4.211 1.00 0.00 C ATOM 90 C VAL A 748 -9.390 0.681 -5.164 1.00 0.00 C ATOM 91 O VAL A 748 -10.096 0.895 -6.150 1.00 0.00 O ATOM 92 CB VAL A 748 -9.068 -1.759 -4.751 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.578 -1.564 -4.982 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.321 -2.916 -3.796 1.00 0.00 C ATOM 0 H VAL A 748 -11.674 -0.681 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.286 -0.245 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 748 -9.531 -1.999 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -7.145 -2.489 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.424 -0.765 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -7.096 -1.299 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -8.863 -3.822 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -8.887 -2.686 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.395 -3.070 -3.687 1.00 0.00 H new ATOM 104 N VAL A 749 -8.324 1.416 -4.865 1.00 0.00 N ATOM 105 CA VAL A 749 -7.912 2.540 -5.696 1.00 0.00 C ATOM 106 C VAL A 749 -6.554 2.281 -6.338 1.00 0.00 C ATOM 107 O VAL A 749 -5.553 2.103 -5.645 1.00 0.00 O ATOM 108 CB VAL A 749 -7.841 3.845 -4.881 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.343 4.991 -5.749 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.200 4.171 -4.280 1.00 0.00 C ATOM 0 H VAL A 749 -7.730 1.253 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.665 2.648 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.132 3.706 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.300 5.904 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.348 4.756 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -8.024 5.135 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.132 5.096 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.932 4.292 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.511 3.359 -3.623 1.00 0.00 H new ATOM 120 N GLU A 750 -6.528 2.260 -7.667 1.00 0.00 N ATOM 121 CA GLU A 750 -5.291 2.022 -8.403 1.00 0.00 C ATOM 122 C GLU A 750 -4.436 3.285 -8.454 1.00 0.00 C ATOM 123 O GLU A 750 -4.919 4.359 -8.812 1.00 0.00 O ATOM 124 CB GLU A 750 -5.601 1.545 -9.823 1.00 0.00 C ATOM 125 CG GLU A 750 -5.827 0.046 -9.926 1.00 0.00 C ATOM 126 CD GLU A 750 -6.604 -0.344 -11.169 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.770 0.083 -11.297 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.044 -1.075 -12.012 1.00 0.00 O ATOM 0 H GLU A 750 -7.348 2.405 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.731 1.246 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.489 2.063 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.777 1.826 -10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.863 -0.463 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.366 -0.298 -9.043 1.00 0.00 H new ATOM 135 N ALA A 751 -3.165 3.147 -8.093 1.00 0.00 N ATOM 136 CA ALA A 751 -2.242 4.275 -8.099 1.00 0.00 C ATOM 137 C ALA A 751 -1.017 3.978 -8.957 1.00 0.00 C ATOM 138 O ALA A 751 -0.666 2.818 -9.175 1.00 0.00 O ATOM 139 CB ALA A 751 -1.823 4.622 -6.678 1.00 0.00 C ATOM 0 H ALA A 751 -2.751 2.265 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.757 5.132 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.134 5.466 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.704 4.887 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.331 3.762 -6.224 1.00 0.00 H new ATOM 145 N VAL A 752 -0.369 5.033 -9.441 1.00 0.00 N ATOM 146 CA VAL A 752 0.818 4.884 -10.275 1.00 0.00 C ATOM 147 C VAL A 752 2.062 5.394 -9.555 1.00 0.00 C ATOM 148 O VAL A 752 2.017 6.407 -8.858 1.00 0.00 O ATOM 149 CB VAL A 752 0.665 5.638 -11.609 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.896 5.439 -12.480 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.592 5.184 -12.336 1.00 0.00 C ATOM 0 H VAL A 752 -0.646 6.000 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 752 0.930 3.819 -10.479 1.00 0.00 H new ATOM 0 HB VAL A 752 0.569 6.703 -11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.769 5.979 -13.418 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.775 5.818 -11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.027 4.377 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.685 5.727 -13.277 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.529 4.115 -12.539 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.464 5.384 -11.714 1.00 0.00 H new ATOM 161 N ALA A 753 3.172 4.685 -9.730 1.00 0.00 N ATOM 162 CA ALA A 753 4.430 5.067 -9.100 1.00 0.00 C ATOM 163 C ALA A 753 5.177 6.094 -9.944 1.00 0.00 C ATOM 164 O ALA A 753 5.761 5.758 -10.975 1.00 0.00 O ATOM 165 CB ALA A 753 5.298 3.839 -8.868 1.00 0.00 C ATOM 0 H ALA A 753 3.226 3.843 -10.303 1.00 0.00 H new ATOM 0 HA ALA A 753 4.202 5.524 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.234 4.139 -8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.772 3.140 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.510 3.358 -9.823 1.00 0.00 H new ATOM 171 N CYS A 754 5.154 7.346 -9.500 1.00 0.00 N ATOM 172 CA CYS A 754 5.829 8.423 -10.216 1.00 0.00 C ATOM 173 C CYS A 754 7.337 8.198 -10.241 1.00 0.00 C ATOM 174 O CYS A 754 8.006 8.513 -11.225 1.00 0.00 O ATOM 175 CB CYS A 754 5.513 9.771 -9.567 1.00 0.00 C ATOM 176 SG CYS A 754 5.696 9.785 -7.768 1.00 0.00 S ATOM 0 H CYS A 754 4.676 7.640 -8.648 1.00 0.00 H new ATOM 0 HA CYS A 754 5.464 8.428 -11.243 1.00 0.00 H new ATOM 0 HB2 CYS A 754 6.168 10.530 -9.994 1.00 0.00 H new ATOM 0 HB3 CYS A 754 4.491 10.053 -9.820 1.00 0.00 H new ATOM 0 HG CYS A 754 5.409 10.968 -7.312 1.00 0.00 H new ATOM 182 N PHE A 755 7.867 7.653 -9.151 1.00 0.00 N ATOM 183 CA PHE A 755 9.297 7.388 -9.047 1.00 0.00 C ATOM 184 C PHE A 755 9.553 5.950 -8.606 1.00 0.00 C ATOM 185 O PHE A 755 8.635 5.243 -8.192 1.00 0.00 O ATOM 186 CB PHE A 755 9.946 8.359 -8.058 1.00 0.00 C ATOM 187 CG PHE A 755 10.161 9.734 -8.623 1.00 0.00 C ATOM 188 CD1 PHE A 755 11.135 9.959 -9.583 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.389 10.802 -8.194 1.00 0.00 C ATOM 190 CE1 PHE A 755 11.335 11.224 -10.103 1.00 0.00 C ATOM 191 CE2 PHE A 755 9.585 12.069 -8.711 1.00 0.00 C ATOM 192 CZ PHE A 755 10.558 12.280 -9.668 1.00 0.00 C ATOM 0 H PHE A 755 7.328 7.386 -8.327 1.00 0.00 H new ATOM 0 HA PHE A 755 9.740 7.532 -10.032 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.319 8.434 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 755 10.905 7.952 -7.738 1.00 0.00 H new ATOM 0 HD1 PHE A 755 11.744 9.137 -9.929 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.625 10.643 -7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 755 12.099 11.387 -10.849 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.978 12.893 -8.367 1.00 0.00 H new ATOM 0 HZ PHE A 755 10.711 13.268 -10.075 1.00 0.00 H new ATOM 202 N ALA A 756 10.809 5.523 -8.699 1.00 0.00 N ATOM 203 CA ALA A 756 11.187 4.171 -8.309 1.00 0.00 C ATOM 204 C ALA A 756 11.645 4.126 -6.855 1.00 0.00 C ATOM 205 O ALA A 756 12.587 4.819 -6.470 1.00 0.00 O ATOM 206 CB ALA A 756 12.281 3.644 -9.226 1.00 0.00 C ATOM 0 H ALA A 756 11.581 6.095 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 756 10.309 3.533 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.554 2.633 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 756 11.919 3.630 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.155 4.291 -9.159 1.00 0.00 H new ATOM 212 N TYR A 757 10.973 3.309 -6.053 1.00 0.00 N ATOM 213 CA TYR A 757 11.309 3.176 -4.640 1.00 0.00 C ATOM 214 C TYR A 757 11.860 1.786 -4.339 1.00 0.00 C ATOM 215 O TYR A 757 11.504 0.807 -4.997 1.00 0.00 O ATOM 216 CB TYR A 757 10.078 3.448 -3.774 1.00 0.00 C ATOM 217 CG TYR A 757 10.402 3.663 -2.313 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.778 4.915 -1.841 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.333 2.614 -1.404 1.00 0.00 C ATOM 220 CE1 TYR A 757 11.075 5.116 -0.507 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.628 2.806 -0.068 1.00 0.00 C ATOM 222 CZ TYR A 757 10.998 4.059 0.376 1.00 0.00 C ATOM 223 OH TYR A 757 11.293 4.254 1.705 1.00 0.00 O ATOM 0 H TYR A 757 10.192 2.728 -6.357 1.00 0.00 H new ATOM 0 HA TYR A 757 12.080 3.910 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.562 4.329 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.388 2.610 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.839 5.745 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.044 1.632 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.366 6.095 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.569 1.980 0.625 1.00 0.00 H new ATOM 0 HH TYR A 757 11.220 3.403 2.185 1.00 0.00 H new ATOM 233 N THR A 758 12.732 1.706 -3.339 1.00 0.00 N ATOM 234 CA THR A 758 13.333 0.437 -2.949 1.00 0.00 C ATOM 235 C THR A 758 13.131 0.166 -1.463 1.00 0.00 C ATOM 236 O THR A 758 13.976 0.512 -0.638 1.00 0.00 O ATOM 237 CB THR A 758 14.841 0.410 -3.263 1.00 0.00 C ATOM 238 OG1 THR A 758 15.050 0.540 -4.674 1.00 0.00 O ATOM 239 CG2 THR A 758 15.474 -0.882 -2.769 1.00 0.00 C ATOM 0 H THR A 758 13.038 2.506 -2.784 1.00 0.00 H new ATOM 0 HA THR A 758 12.834 -0.340 -3.528 1.00 0.00 H new ATOM 0 HB THR A 758 15.312 1.247 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 758 16.011 0.524 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.539 -0.878 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.339 -0.964 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.998 -1.731 -3.260 1.00 0.00 H new ATOM 247 N GLY A 759 12.005 -0.456 -1.127 1.00 0.00 N ATOM 248 CA GLY A 759 11.712 -0.764 0.260 1.00 0.00 C ATOM 249 C GLY A 759 12.958 -1.102 1.055 1.00 0.00 C ATOM 250 O GLY A 759 13.847 -1.796 0.561 1.00 0.00 O ATOM 0 H GLY A 759 11.290 -0.752 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.211 0.088 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 759 11.018 -1.603 0.304 1.00 0.00 H new ATOM 254 N ARG A 760 13.024 -0.609 2.287 1.00 0.00 N ATOM 255 CA ARG A 760 14.172 -0.860 3.150 1.00 0.00 C ATOM 256 C ARG A 760 13.990 -2.157 3.933 1.00 0.00 C ATOM 257 O ARG A 760 14.963 -2.824 4.285 1.00 0.00 O ATOM 258 CB ARG A 760 14.375 0.308 4.117 1.00 0.00 C ATOM 259 CG ARG A 760 15.253 1.416 3.558 1.00 0.00 C ATOM 260 CD ARG A 760 15.914 2.217 4.669 1.00 0.00 C ATOM 261 NE ARG A 760 17.027 3.023 4.175 1.00 0.00 N ATOM 262 CZ ARG A 760 17.669 3.921 4.913 1.00 0.00 C ATOM 263 NH1 ARG A 760 17.309 4.128 6.173 1.00 0.00 N ATOM 264 NH2 ARG A 760 18.673 4.615 4.393 1.00 0.00 N ATOM 0 H ARG A 760 12.296 -0.033 2.710 1.00 0.00 H new ATOM 0 HA ARG A 760 15.055 -0.958 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.403 0.724 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.821 -0.067 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 760 16.019 0.985 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.652 2.080 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 760 15.175 2.868 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.274 1.537 5.441 1.00 0.00 H new ATOM 0 HE ARG A 760 17.328 2.889 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 760 16.538 3.597 6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 760 17.804 4.818 6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 760 18.953 4.459 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 760 19.165 5.304 4.962 1.00 0.00 H new ATOM 278 N THR A 761 12.737 -2.508 4.203 1.00 0.00 N ATOM 279 CA THR A 761 12.427 -3.723 4.946 1.00 0.00 C ATOM 280 C THR A 761 11.210 -4.431 4.359 1.00 0.00 C ATOM 281 O THR A 761 10.605 -3.953 3.400 1.00 0.00 O ATOM 282 CB THR A 761 12.163 -3.421 6.433 1.00 0.00 C ATOM 283 OG1 THR A 761 11.216 -2.354 6.555 1.00 0.00 O ATOM 284 CG2 THR A 761 13.453 -3.045 7.146 1.00 0.00 C ATOM 0 H THR A 761 11.920 -1.968 3.918 1.00 0.00 H new ATOM 0 HA THR A 761 13.298 -4.374 4.864 1.00 0.00 H new ATOM 0 HB THR A 761 11.759 -4.320 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.052 -2.169 7.503 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.242 -2.836 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.161 -3.871 7.076 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.882 -2.158 6.679 1.00 0.00 H new ATOM 292 N ALA A 762 10.857 -5.572 4.942 1.00 0.00 N ATOM 293 CA ALA A 762 9.711 -6.344 4.478 1.00 0.00 C ATOM 294 C ALA A 762 8.467 -5.469 4.373 1.00 0.00 C ATOM 295 O ALA A 762 7.870 -5.351 3.303 1.00 0.00 O ATOM 296 CB ALA A 762 9.455 -7.519 5.410 1.00 0.00 C ATOM 0 H ALA A 762 11.348 -5.982 5.736 1.00 0.00 H new ATOM 0 HA ALA A 762 9.940 -6.726 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.596 -8.087 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.333 -8.164 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.251 -7.149 6.415 1.00 0.00 H new ATOM 302 N GLN A 763 8.081 -4.859 5.489 1.00 0.00 N ATOM 303 CA GLN A 763 6.906 -3.996 5.521 1.00 0.00 C ATOM 304 C GLN A 763 6.835 -3.128 4.269 1.00 0.00 C ATOM 305 O GLN A 763 5.779 -3.001 3.651 1.00 0.00 O ATOM 306 CB GLN A 763 6.930 -3.113 6.769 1.00 0.00 C ATOM 307 CG GLN A 763 8.008 -2.042 6.736 1.00 0.00 C ATOM 308 CD GLN A 763 7.994 -1.161 7.969 1.00 0.00 C ATOM 309 OE1 GLN A 763 8.523 -1.533 9.018 1.00 0.00 O ATOM 310 NE2 GLN A 763 7.389 0.015 7.851 1.00 0.00 N ATOM 0 H GLN A 763 8.565 -4.946 6.383 1.00 0.00 H new ATOM 0 HA GLN A 763 6.020 -4.630 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 763 5.957 -2.634 6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 763 7.081 -3.742 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 763 8.985 -2.518 6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.872 -1.422 5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 763 6.964 0.283 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 763 7.349 0.650 8.648 1.00 0.00 H new ATOM 319 N GLU A 764 7.965 -2.532 3.903 1.00 0.00 N ATOM 320 CA GLU A 764 8.029 -1.674 2.726 1.00 0.00 C ATOM 321 C GLU A 764 8.098 -2.506 1.449 1.00 0.00 C ATOM 322 O GLU A 764 8.668 -3.598 1.436 1.00 0.00 O ATOM 323 CB GLU A 764 9.243 -0.746 2.809 1.00 0.00 C ATOM 324 CG GLU A 764 9.155 0.272 3.934 1.00 0.00 C ATOM 325 CD GLU A 764 10.275 1.293 3.885 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.897 1.440 2.812 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.530 1.944 4.919 1.00 0.00 O ATOM 0 H GLU A 764 8.848 -2.627 4.404 1.00 0.00 H new ATOM 0 HA GLU A 764 7.121 -1.071 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.141 -1.348 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.352 -0.219 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.196 0.787 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.183 -0.247 4.892 1.00 0.00 H new ATOM 334 N LEU A 765 7.513 -1.984 0.377 1.00 0.00 N ATOM 335 CA LEU A 765 7.506 -2.678 -0.906 1.00 0.00 C ATOM 336 C LEU A 765 8.518 -2.060 -1.865 1.00 0.00 C ATOM 337 O LEU A 765 9.085 -1.003 -1.588 1.00 0.00 O ATOM 338 CB LEU A 765 6.108 -2.635 -1.525 1.00 0.00 C ATOM 339 CG LEU A 765 5.055 -3.529 -0.867 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.663 -3.160 -1.355 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.350 -4.995 -1.148 1.00 0.00 C ATOM 0 H LEU A 765 7.037 -1.082 0.371 1.00 0.00 H new ATOM 0 HA LEU A 765 7.787 -3.716 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.751 -1.605 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.189 -2.915 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 765 5.093 -3.372 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.927 -3.806 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.453 -2.121 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.611 -3.288 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.591 -5.616 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.339 -5.169 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.331 -5.252 -0.749 1.00 0.00 H new ATOM 353 N SER A 766 8.738 -2.725 -2.995 1.00 0.00 N ATOM 354 CA SER A 766 9.683 -2.241 -3.995 1.00 0.00 C ATOM 355 C SER A 766 9.062 -2.270 -5.388 1.00 0.00 C ATOM 356 O SER A 766 8.663 -3.325 -5.880 1.00 0.00 O ATOM 357 CB SER A 766 10.957 -3.087 -3.974 1.00 0.00 C ATOM 358 OG SER A 766 10.732 -4.362 -4.550 1.00 0.00 O ATOM 0 H SER A 766 8.275 -3.600 -3.241 1.00 0.00 H new ATOM 0 HA SER A 766 9.936 -1.209 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.748 -2.572 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.303 -3.204 -2.947 1.00 0.00 H new ATOM 0 HG SER A 766 9.881 -4.356 -5.036 1.00 0.00 H new ATOM 364 N PHE A 767 8.984 -1.103 -6.018 1.00 0.00 N ATOM 365 CA PHE A 767 8.411 -0.992 -7.355 1.00 0.00 C ATOM 366 C PHE A 767 9.118 0.092 -8.162 1.00 0.00 C ATOM 367 O PHE A 767 9.715 1.010 -7.599 1.00 0.00 O ATOM 368 CB PHE A 767 6.914 -0.685 -7.267 1.00 0.00 C ATOM 369 CG PHE A 767 6.590 0.459 -6.349 1.00 0.00 C ATOM 370 CD1 PHE A 767 7.032 1.741 -6.635 1.00 0.00 C ATOM 371 CD2 PHE A 767 5.844 0.253 -5.200 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.736 2.796 -5.793 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.543 1.304 -4.355 1.00 0.00 C ATOM 374 CZ PHE A 767 5.991 2.577 -4.651 1.00 0.00 C ATOM 0 H PHE A 767 9.310 -0.220 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 767 8.550 -1.946 -7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.539 -0.457 -8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.388 -1.576 -6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.615 1.918 -7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.494 -0.740 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 767 7.087 3.790 -6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 767 4.958 1.131 -3.464 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.759 3.399 -3.990 1.00 0.00 H new ATOM 384 N ARG A 768 9.045 -0.021 -9.484 1.00 0.00 N ATOM 385 CA ARG A 768 9.680 0.949 -10.370 1.00 0.00 C ATOM 386 C ARG A 768 8.646 1.905 -10.958 1.00 0.00 C ATOM 387 O ARG A 768 7.468 1.568 -11.071 1.00 0.00 O ATOM 388 CB ARG A 768 10.426 0.231 -11.496 1.00 0.00 C ATOM 389 CG ARG A 768 11.565 -0.649 -11.007 1.00 0.00 C ATOM 390 CD ARG A 768 12.438 -1.120 -12.159 1.00 0.00 C ATOM 391 NE ARG A 768 13.674 -1.742 -11.691 1.00 0.00 N ATOM 392 CZ ARG A 768 14.464 -2.479 -12.463 1.00 0.00 C ATOM 393 NH1 ARG A 768 14.150 -2.685 -13.735 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.573 -3.012 -11.964 1.00 0.00 N ATOM 0 H ARG A 768 8.553 -0.774 -9.966 1.00 0.00 H new ATOM 0 HA ARG A 768 10.393 1.528 -9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.719 -0.382 -12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.823 0.973 -12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.173 -0.095 -10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.159 -1.512 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.881 -1.833 -12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.679 -0.273 -12.801 1.00 0.00 H new ATOM 0 HE ARG A 768 13.945 -1.603 -10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 768 13.300 -2.277 -14.123 1.00 0.00 H new ATOM 0 HH12 ARG A 768 14.759 -3.252 -14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.819 -2.856 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 768 16.179 -3.578 -12.558 1.00 0.00 H new ATOM 408 N ARG A 769 9.097 3.098 -11.331 1.00 0.00 N ATOM 409 CA ARG A 769 8.212 4.103 -11.907 1.00 0.00 C ATOM 410 C ARG A 769 7.287 3.481 -12.949 1.00 0.00 C ATOM 411 O ARG A 769 7.738 2.777 -13.852 1.00 0.00 O ATOM 412 CB ARG A 769 9.029 5.230 -12.541 1.00 0.00 C ATOM 413 CG ARG A 769 8.177 6.304 -13.199 1.00 0.00 C ATOM 414 CD ARG A 769 9.027 7.466 -13.689 1.00 0.00 C ATOM 415 NE ARG A 769 9.768 7.130 -14.901 1.00 0.00 N ATOM 416 CZ ARG A 769 10.945 6.513 -14.896 1.00 0.00 C ATOM 417 NH1 ARG A 769 11.511 6.167 -13.748 1.00 0.00 N ATOM 418 NH2 ARG A 769 11.557 6.241 -16.041 1.00 0.00 N ATOM 0 H ARG A 769 10.070 3.392 -11.245 1.00 0.00 H new ATOM 0 HA ARG A 769 7.600 4.515 -11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.652 5.691 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.702 4.805 -13.286 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.630 5.873 -14.037 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.436 6.668 -12.488 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.387 8.327 -13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.727 7.759 -12.906 1.00 0.00 H new ATOM 0 HE ARG A 769 9.360 7.383 -15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 769 11.043 6.374 -12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 769 12.414 5.694 -13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 769 11.124 6.505 -16.926 1.00 0.00 H new ATOM 0 HH22 ARG A 769 12.460 5.767 -16.036 1.00 0.00 H new ATOM 432 N GLY A 770 5.991 3.747 -12.817 1.00 0.00 N ATOM 433 CA GLY A 770 5.024 3.205 -13.754 1.00 0.00 C ATOM 434 C GLY A 770 4.299 1.993 -13.203 1.00 0.00 C ATOM 435 O GLY A 770 3.127 1.772 -13.507 1.00 0.00 O ATOM 0 H GLY A 770 5.594 4.328 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.296 3.976 -14.007 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.532 2.931 -14.678 1.00 0.00 H new ATOM 439 N ASP A 771 4.997 1.207 -12.392 1.00 0.00 N ATOM 440 CA ASP A 771 4.412 0.010 -11.797 1.00 0.00 C ATOM 441 C ASP A 771 3.191 0.363 -10.954 1.00 0.00 C ATOM 442 O ASP A 771 3.310 1.000 -9.907 1.00 0.00 O ATOM 443 CB ASP A 771 5.448 -0.716 -10.938 1.00 0.00 C ATOM 444 CG ASP A 771 6.542 -1.359 -11.768 1.00 0.00 C ATOM 445 OD1 ASP A 771 7.178 -0.642 -12.569 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.761 -2.579 -11.617 1.00 0.00 O ATOM 0 H ASP A 771 5.968 1.376 -12.131 1.00 0.00 H new ATOM 0 HA ASP A 771 4.094 -0.649 -12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.895 -0.009 -10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.950 -1.482 -10.343 1.00 0.00 H new ATOM 451 N VAL A 772 2.017 -0.053 -11.418 1.00 0.00 N ATOM 452 CA VAL A 772 0.774 0.220 -10.707 1.00 0.00 C ATOM 453 C VAL A 772 0.698 -0.575 -9.408 1.00 0.00 C ATOM 454 O VAL A 772 1.263 -1.664 -9.300 1.00 0.00 O ATOM 455 CB VAL A 772 -0.454 -0.117 -11.574 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.739 0.143 -10.804 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.427 0.683 -12.868 1.00 0.00 C ATOM 0 H VAL A 772 1.901 -0.580 -12.283 1.00 0.00 H new ATOM 0 HA VAL A 772 0.767 1.286 -10.479 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.419 -1.177 -11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.595 -0.101 -11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.758 -0.477 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.786 1.194 -10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.301 0.433 -13.469 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.438 1.748 -12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.478 0.442 -13.426 1.00 0.00 H new ATOM 467 N LEU A 773 -0.004 -0.024 -8.424 1.00 0.00 N ATOM 468 CA LEU A 773 -0.155 -0.682 -7.131 1.00 0.00 C ATOM 469 C LEU A 773 -1.561 -0.478 -6.577 1.00 0.00 C ATOM 470 O LEU A 773 -2.069 0.643 -6.545 1.00 0.00 O ATOM 471 CB LEU A 773 0.879 -0.145 -6.140 1.00 0.00 C ATOM 472 CG LEU A 773 2.202 0.332 -6.742 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.890 1.314 -5.807 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.110 -0.852 -7.038 1.00 0.00 C ATOM 0 H LEU A 773 -0.477 0.877 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 773 0.008 -1.750 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.432 0.685 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.095 -0.927 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 773 1.989 0.844 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.829 1.643 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.244 2.177 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.091 0.828 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.047 -0.494 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.316 -1.392 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.619 -1.519 -7.747 1.00 0.00 H new ATOM 486 N ARG A 774 -2.183 -1.567 -6.140 1.00 0.00 N ATOM 487 CA ARG A 774 -3.531 -1.508 -5.586 1.00 0.00 C ATOM 488 C ARG A 774 -3.500 -1.052 -4.130 1.00 0.00 C ATOM 489 O ARG A 774 -2.968 -1.745 -3.262 1.00 0.00 O ATOM 490 CB ARG A 774 -4.209 -2.875 -5.689 1.00 0.00 C ATOM 491 CG ARG A 774 -4.713 -3.201 -7.085 1.00 0.00 C ATOM 492 CD ARG A 774 -5.233 -4.627 -7.171 1.00 0.00 C ATOM 493 NE ARG A 774 -5.527 -5.021 -8.547 1.00 0.00 N ATOM 494 CZ ARG A 774 -5.706 -6.280 -8.928 1.00 0.00 C ATOM 495 NH1 ARG A 774 -5.622 -7.263 -8.043 1.00 0.00 N ATOM 496 NH2 ARG A 774 -5.971 -6.558 -10.198 1.00 0.00 N ATOM 0 H ARG A 774 -1.775 -2.502 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.103 -0.783 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.504 -3.645 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.047 -2.909 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.507 -2.506 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.907 -3.063 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -4.494 -5.308 -6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.135 -4.721 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 774 -5.599 -4.289 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -5.419 -7.053 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -5.760 -8.229 -8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -6.037 -5.804 -10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -6.108 -7.525 -10.490 1.00 0.00 H new ATOM 510 N LEU A 775 -4.073 0.118 -3.870 1.00 0.00 N ATOM 511 CA LEU A 775 -4.111 0.668 -2.519 1.00 0.00 C ATOM 512 C LEU A 775 -5.292 0.104 -1.735 1.00 0.00 C ATOM 513 O LEU A 775 -6.424 0.565 -1.881 1.00 0.00 O ATOM 514 CB LEU A 775 -4.200 2.194 -2.570 1.00 0.00 C ATOM 515 CG LEU A 775 -3.137 2.901 -3.412 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.300 4.410 -3.321 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.742 2.485 -2.968 1.00 0.00 C ATOM 0 H LEU A 775 -4.518 0.704 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.190 0.381 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.182 2.468 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.140 2.576 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.269 2.605 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.535 4.896 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.287 4.692 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.195 4.725 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.998 2.998 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.599 2.752 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.629 1.407 -3.087 1.00 0.00 H new ATOM 529 N HIS A 776 -5.019 -0.894 -0.901 1.00 0.00 N ATOM 530 CA HIS A 776 -6.059 -1.519 -0.091 1.00 0.00 C ATOM 531 C HIS A 776 -6.721 -0.496 0.827 1.00 0.00 C ATOM 532 O HIS A 776 -7.923 -0.248 0.730 1.00 0.00 O ATOM 533 CB HIS A 776 -5.472 -2.661 0.739 1.00 0.00 C ATOM 534 CG HIS A 776 -4.839 -3.739 -0.088 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.590 -5.007 0.392 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.407 -3.731 -1.371 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.030 -5.733 -0.559 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.908 -4.982 -1.639 1.00 0.00 N ATOM 0 H HIS A 776 -4.087 -1.287 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.816 -1.921 -0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.728 -2.256 1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.262 -3.099 1.349 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.805 -5.334 1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.447 -2.897 -2.056 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.724 -6.765 -0.469 1.00 0.00 H new ATOM 546 N GLU A 777 -5.929 0.093 1.717 1.00 0.00 N ATOM 547 CA GLU A 777 -6.440 1.087 2.653 1.00 0.00 C ATOM 548 C GLU A 777 -5.304 1.929 3.227 1.00 0.00 C ATOM 549 O GLU A 777 -4.171 1.461 3.348 1.00 0.00 O ATOM 550 CB GLU A 777 -7.208 0.406 3.787 1.00 0.00 C ATOM 551 CG GLU A 777 -8.652 0.086 3.438 1.00 0.00 C ATOM 552 CD GLU A 777 -9.524 -0.092 4.666 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.201 -0.964 5.501 1.00 0.00 O ATOM 554 OE2 GLU A 777 -10.528 0.639 4.793 1.00 0.00 O ATOM 0 H GLU A 777 -4.932 -0.101 1.810 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.118 1.745 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -6.696 -0.517 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -7.190 1.051 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -9.059 0.887 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.684 -0.824 2.839 1.00 0.00 H new ATOM 561 N ARG A 778 -5.615 3.172 3.579 1.00 0.00 N ATOM 562 CA ARG A 778 -4.621 4.079 4.139 1.00 0.00 C ATOM 563 C ARG A 778 -3.865 3.416 5.287 1.00 0.00 C ATOM 564 O ARG A 778 -4.470 2.861 6.203 1.00 0.00 O ATOM 565 CB ARG A 778 -5.291 5.364 4.630 1.00 0.00 C ATOM 566 CG ARG A 778 -4.305 6.440 5.056 1.00 0.00 C ATOM 567 CD ARG A 778 -3.931 7.345 3.893 1.00 0.00 C ATOM 568 NE ARG A 778 -3.565 8.686 4.339 1.00 0.00 N ATOM 569 CZ ARG A 778 -3.532 9.745 3.537 1.00 0.00 C ATOM 570 NH1 ARG A 778 -3.844 9.618 2.254 1.00 0.00 N ATOM 571 NH2 ARG A 778 -3.189 10.933 4.017 1.00 0.00 N ATOM 0 H ARG A 778 -6.548 3.574 3.486 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.908 4.327 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.926 5.759 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.942 5.126 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.740 7.037 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.406 5.973 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.098 6.905 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.770 7.410 3.200 1.00 0.00 H new ATOM 0 HE ARG A 778 -3.321 8.817 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -4.110 8.706 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -3.818 10.432 1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -2.950 11.035 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -3.164 11.745 3.400 1.00 0.00 H new ATOM 585 N ALA A 779 -2.538 3.478 5.228 1.00 0.00 N ATOM 586 CA ALA A 779 -1.700 2.885 6.263 1.00 0.00 C ATOM 587 C ALA A 779 -1.273 3.929 7.288 1.00 0.00 C ATOM 588 O ALA A 779 -1.327 3.688 8.494 1.00 0.00 O ATOM 589 CB ALA A 779 -0.479 2.225 5.639 1.00 0.00 C ATOM 0 H ALA A 779 -2.021 3.932 4.475 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.286 2.125 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 779 0.138 1.786 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.800 1.444 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 779 0.101 2.972 5.096 1.00 0.00 H new ATOM 595 N SER A 780 -0.847 5.091 6.802 1.00 0.00 N ATOM 596 CA SER A 780 -0.406 6.171 7.676 1.00 0.00 C ATOM 597 C SER A 780 -0.740 7.531 7.071 1.00 0.00 C ATOM 598 O SER A 780 -1.389 7.616 6.029 1.00 0.00 O ATOM 599 CB SER A 780 1.100 6.068 7.929 1.00 0.00 C ATOM 600 OG SER A 780 1.507 4.716 8.044 1.00 0.00 O ATOM 0 H SER A 780 -0.798 5.308 5.807 1.00 0.00 H new ATOM 0 HA SER A 780 -0.934 6.076 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.642 6.546 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.356 6.607 8.841 1.00 0.00 H new ATOM 0 HG SER A 780 2.473 4.678 8.204 1.00 0.00 H new ATOM 606 N SER A 781 -0.292 8.592 7.734 1.00 0.00 N ATOM 607 CA SER A 781 -0.546 9.949 7.265 1.00 0.00 C ATOM 608 C SER A 781 -0.047 10.132 5.835 1.00 0.00 C ATOM 609 O SER A 781 -0.703 10.772 5.013 1.00 0.00 O ATOM 610 CB SER A 781 0.130 10.966 8.187 1.00 0.00 C ATOM 611 OG SER A 781 1.541 10.841 8.135 1.00 0.00 O ATOM 0 H SER A 781 0.249 8.538 8.597 1.00 0.00 H new ATOM 0 HA SER A 781 -1.623 10.116 7.280 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.160 11.975 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.214 10.819 9.211 1.00 0.00 H new ATOM 0 HG SER A 781 1.950 11.503 8.731 1.00 0.00 H new ATOM 617 N ASP A 782 1.120 9.566 5.545 1.00 0.00 N ATOM 618 CA ASP A 782 1.708 9.665 4.215 1.00 0.00 C ATOM 619 C ASP A 782 2.130 8.291 3.704 1.00 0.00 C ATOM 620 O ASP A 782 3.209 8.135 3.131 1.00 0.00 O ATOM 621 CB ASP A 782 2.913 10.607 4.235 1.00 0.00 C ATOM 622 CG ASP A 782 2.528 12.045 3.950 1.00 0.00 C ATOM 623 OD1 ASP A 782 1.665 12.583 4.676 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.088 12.633 3.002 1.00 0.00 O ATOM 0 H ASP A 782 1.677 9.034 6.214 1.00 0.00 H new ATOM 0 HA ASP A 782 0.953 10.068 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.399 10.550 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.642 10.276 3.495 1.00 0.00 H new ATOM 629 N TRP A 783 1.274 7.298 3.915 1.00 0.00 N ATOM 630 CA TRP A 783 1.558 5.937 3.477 1.00 0.00 C ATOM 631 C TRP A 783 0.272 5.199 3.122 1.00 0.00 C ATOM 632 O TRP A 783 -0.825 5.654 3.446 1.00 0.00 O ATOM 633 CB TRP A 783 2.313 5.175 4.568 1.00 0.00 C ATOM 634 CG TRP A 783 3.739 5.610 4.718 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.202 6.662 5.456 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.888 5.005 4.114 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.569 6.747 5.347 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.014 5.742 4.530 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.075 3.912 3.264 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.306 5.420 4.123 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.357 3.594 2.861 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.459 4.345 3.290 1.00 0.00 C ATOM 0 H TRP A 783 0.377 7.410 4.387 1.00 0.00 H new ATOM 0 HA TRP A 783 2.181 5.992 2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.797 5.310 5.519 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.288 4.109 4.341 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.584 7.329 6.039 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.157 7.446 5.801 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.232 3.326 2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.157 5.998 4.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.513 2.751 2.204 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.449 4.070 2.957 1.00 0.00 H new ATOM 653 N TRP A 784 0.414 4.060 2.454 1.00 0.00 N ATOM 654 CA TRP A 784 -0.738 3.260 2.054 1.00 0.00 C ATOM 655 C TRP A 784 -0.444 1.771 2.203 1.00 0.00 C ATOM 656 O TRP A 784 0.697 1.375 2.440 1.00 0.00 O ATOM 657 CB TRP A 784 -1.127 3.574 0.609 1.00 0.00 C ATOM 658 CG TRP A 784 -1.532 5.001 0.399 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.706 6.087 0.335 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.864 5.498 0.229 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.444 7.228 0.135 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.771 6.894 0.065 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.126 4.899 0.196 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.892 7.697 -0.126 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.238 5.697 0.006 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.115 7.084 -0.154 1.00 0.00 C ATOM 0 H TRP A 784 1.315 3.670 2.178 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.571 3.514 2.709 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.286 3.343 -0.044 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.949 2.923 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.369 6.053 0.428 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.065 8.171 0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.230 3.831 0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.800 8.766 -0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.218 5.244 -0.020 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.003 7.681 -0.302 1.00 0.00 H new ATOM 677 N ARG A 785 -1.481 0.951 2.062 1.00 0.00 N ATOM 678 CA ARG A 785 -1.333 -0.495 2.182 1.00 0.00 C ATOM 679 C ARG A 785 -1.762 -1.194 0.895 1.00 0.00 C ATOM 680 O ARG A 785 -2.945 -1.220 0.556 1.00 0.00 O ATOM 681 CB ARG A 785 -2.158 -1.018 3.359 1.00 0.00 C ATOM 682 CG ARG A 785 -1.437 -0.931 4.694 1.00 0.00 C ATOM 683 CD ARG A 785 -2.408 -1.046 5.859 1.00 0.00 C ATOM 684 NE ARG A 785 -1.719 -1.041 7.147 1.00 0.00 N ATOM 685 CZ ARG A 785 -2.331 -0.826 8.307 1.00 0.00 C ATOM 686 NH1 ARG A 785 -3.637 -0.599 8.339 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.636 -0.837 9.437 1.00 0.00 N ATOM 0 H ARG A 785 -2.432 1.263 1.865 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.280 -0.714 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.088 -0.452 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.429 -2.057 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.693 -1.725 4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -0.900 0.016 4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.117 -0.219 5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.986 -1.965 5.760 1.00 0.00 H new ATOM 0 HE ARG A 785 -0.713 -1.212 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -4.174 -0.589 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -4.104 -0.434 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.631 -1.011 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -2.107 -0.672 10.327 1.00 0.00 H new ATOM 701 N GLY A 786 -0.793 -1.759 0.182 1.00 0.00 N ATOM 702 CA GLY A 786 -1.090 -2.449 -1.059 1.00 0.00 C ATOM 703 C GLY A 786 -0.333 -3.756 -1.191 1.00 0.00 C ATOM 704 O GLY A 786 0.388 -4.157 -0.279 1.00 0.00 O ATOM 0 H GLY A 786 0.193 -1.751 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.161 -2.646 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.841 -1.802 -1.900 1.00 0.00 H new ATOM 708 N GLU A 787 -0.500 -4.422 -2.330 1.00 0.00 N ATOM 709 CA GLU A 787 0.172 -5.692 -2.576 1.00 0.00 C ATOM 710 C GLU A 787 0.775 -5.726 -3.978 1.00 0.00 C ATOM 711 O GLU A 787 0.055 -5.715 -4.976 1.00 0.00 O ATOM 712 CB GLU A 787 -0.807 -6.855 -2.403 1.00 0.00 C ATOM 713 CG GLU A 787 -0.397 -8.113 -3.148 1.00 0.00 C ATOM 714 CD GLU A 787 -1.447 -9.205 -3.074 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.649 -8.870 -3.028 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.067 -10.394 -3.063 1.00 0.00 O ATOM 0 H GLU A 787 -1.094 -4.103 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 787 0.978 -5.793 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.900 -7.086 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.793 -6.543 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.208 -7.866 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.540 -8.487 -2.734 1.00 0.00 H new ATOM 723 N HIS A 788 2.102 -5.767 -4.044 1.00 0.00 N ATOM 724 CA HIS A 788 2.803 -5.802 -5.322 1.00 0.00 C ATOM 725 C HIS A 788 2.802 -7.212 -5.904 1.00 0.00 C ATOM 726 O HIS A 788 2.213 -8.129 -5.333 1.00 0.00 O ATOM 727 CB HIS A 788 4.241 -5.309 -5.154 1.00 0.00 C ATOM 728 CG HIS A 788 4.793 -4.642 -6.376 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.144 -4.524 -6.623 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.167 -4.059 -7.425 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.326 -3.894 -7.771 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.142 -3.601 -8.277 1.00 0.00 N ATOM 0 H HIS A 788 2.713 -5.777 -3.227 1.00 0.00 H new ATOM 0 HA HIS A 788 2.279 -5.142 -6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.281 -4.609 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.878 -6.154 -4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.100 -3.970 -7.566 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.280 -3.659 -8.219 1.00 0.00 H new ATOM 0 HE2 HIS A 788 4.978 -3.114 -9.158 1.00 0.00 H new ATOM 740 N ASN A 789 3.465 -7.378 -7.044 1.00 0.00 N ATOM 741 CA ASN A 789 3.539 -8.677 -7.704 1.00 0.00 C ATOM 742 C ASN A 789 4.142 -9.725 -6.774 1.00 0.00 C ATOM 743 O ASN A 789 5.361 -9.818 -6.634 1.00 0.00 O ATOM 744 CB ASN A 789 4.371 -8.575 -8.984 1.00 0.00 C ATOM 745 CG ASN A 789 3.526 -8.232 -10.196 1.00 0.00 C ATOM 746 OD1 ASN A 789 3.173 -9.106 -10.988 1.00 0.00 O ATOM 747 ND2 ASN A 789 3.199 -6.954 -10.346 1.00 0.00 N ATOM 0 H ASN A 789 3.959 -6.629 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 789 2.526 -8.985 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 789 5.141 -7.815 -8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 789 4.884 -9.521 -9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 789 2.633 -6.663 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 789 3.514 -6.264 -9.664 1.00 0.00 H new ATOM 754 N GLY A 790 3.279 -10.514 -6.141 1.00 0.00 N ATOM 755 CA GLY A 790 3.745 -11.546 -5.233 1.00 0.00 C ATOM 756 C GLY A 790 4.336 -10.974 -3.960 1.00 0.00 C ATOM 757 O GLY A 790 4.935 -11.699 -3.166 1.00 0.00 O ATOM 0 H GLY A 790 2.266 -10.457 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.915 -12.205 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.495 -12.157 -5.736 1.00 0.00 H new ATOM 761 N MET A 791 4.168 -9.670 -3.765 1.00 0.00 N ATOM 762 CA MET A 791 4.691 -9.002 -2.579 1.00 0.00 C ATOM 763 C MET A 791 3.594 -8.212 -1.872 1.00 0.00 C ATOM 764 O MET A 791 2.622 -7.786 -2.497 1.00 0.00 O ATOM 765 CB MET A 791 5.843 -8.070 -2.958 1.00 0.00 C ATOM 766 CG MET A 791 7.207 -8.738 -2.910 1.00 0.00 C ATOM 767 SD MET A 791 8.543 -7.627 -3.393 1.00 0.00 S ATOM 768 CE MET A 791 8.028 -7.178 -5.048 1.00 0.00 C ATOM 0 H MET A 791 3.674 -9.056 -4.412 1.00 0.00 H new ATOM 0 HA MET A 791 5.062 -9.766 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.672 -7.684 -3.963 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.843 -7.214 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.392 -9.105 -1.900 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.205 -9.606 -3.569 1.00 0.00 H new ATOM 0 HE1 MET A 791 8.892 -6.834 -5.617 1.00 0.00 H new ATOM 0 HE2 MET A 791 7.591 -8.046 -5.541 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.287 -6.380 -4.995 1.00 0.00 H new ATOM 778 N ARG A 792 3.755 -8.021 -0.567 1.00 0.00 N ATOM 779 CA ARG A 792 2.778 -7.284 0.225 1.00 0.00 C ATOM 780 C ARG A 792 3.471 -6.349 1.212 1.00 0.00 C ATOM 781 O ARG A 792 4.442 -6.729 1.864 1.00 0.00 O ATOM 782 CB ARG A 792 1.864 -8.253 0.978 1.00 0.00 C ATOM 783 CG ARG A 792 0.849 -8.949 0.087 1.00 0.00 C ATOM 784 CD ARG A 792 -0.416 -9.301 0.854 1.00 0.00 C ATOM 785 NE ARG A 792 -0.204 -10.408 1.783 1.00 0.00 N ATOM 786 CZ ARG A 792 -0.182 -11.683 1.413 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.357 -12.011 0.140 1.00 0.00 N ATOM 788 NH2 ARG A 792 0.017 -12.634 2.316 1.00 0.00 N ATOM 0 H ARG A 792 4.554 -8.367 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 792 2.176 -6.683 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.477 -9.006 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.335 -7.707 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.598 -8.303 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.289 -9.856 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.761 -8.426 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -1.205 -9.565 0.150 1.00 0.00 H new ATOM 0 HE ARG A 792 -0.065 -10.190 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -0.509 -11.283 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -0.340 -12.991 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 792 0.153 -12.386 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.034 -13.613 2.030 1.00 0.00 H new ATOM 802 N GLY A 793 2.964 -5.124 1.315 1.00 0.00 N ATOM 803 CA GLY A 793 3.546 -4.155 2.224 1.00 0.00 C ATOM 804 C GLY A 793 2.916 -2.783 2.090 1.00 0.00 C ATOM 805 O GLY A 793 1.871 -2.630 1.456 1.00 0.00 O ATOM 0 H GLY A 793 2.161 -4.786 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.429 -4.507 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.617 -4.080 2.033 1.00 0.00 H new ATOM 809 N LEU A 794 3.550 -1.781 2.689 1.00 0.00 N ATOM 810 CA LEU A 794 3.045 -0.414 2.636 1.00 0.00 C ATOM 811 C LEU A 794 3.426 0.256 1.320 1.00 0.00 C ATOM 812 O LEU A 794 4.107 -0.338 0.484 1.00 0.00 O ATOM 813 CB LEU A 794 3.589 0.399 3.812 1.00 0.00 C ATOM 814 CG LEU A 794 3.281 -0.148 5.206 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.377 0.241 6.186 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.928 0.353 5.689 1.00 0.00 C ATOM 0 H LEU A 794 4.416 -1.890 3.217 1.00 0.00 H new ATOM 0 HA LEU A 794 1.958 -0.452 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.671 0.476 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.189 1.411 3.744 1.00 0.00 H new ATOM 0 HG LEU A 794 3.243 -1.236 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.141 -0.157 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.329 -0.168 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.448 1.327 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.726 -0.047 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 794 1.937 1.442 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.151 0.023 5.000 1.00 0.00 H new ATOM 828 N ILE A 795 2.984 1.497 1.144 1.00 0.00 N ATOM 829 CA ILE A 795 3.281 2.249 -0.069 1.00 0.00 C ATOM 830 C ILE A 795 3.478 3.730 0.237 1.00 0.00 C ATOM 831 O ILE A 795 2.662 4.364 0.906 1.00 0.00 O ATOM 832 CB ILE A 795 2.162 2.096 -1.115 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.271 0.741 -1.817 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.225 3.230 -2.128 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.020 0.348 -2.571 1.00 0.00 C ATOM 0 H ILE A 795 2.419 2.003 1.826 1.00 0.00 H new ATOM 0 HA ILE A 795 4.205 1.839 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 795 1.200 2.143 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.111 0.767 -2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.495 -0.026 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.428 3.108 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.103 4.184 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.190 3.212 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.170 -0.623 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.181 0.289 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 795 0.807 1.095 -3.336 1.00 0.00 H new ATOM 847 N PRO A 796 4.585 4.296 -0.267 1.00 0.00 N ATOM 848 CA PRO A 796 4.913 5.710 -0.063 1.00 0.00 C ATOM 849 C PRO A 796 3.973 6.639 -0.824 1.00 0.00 C ATOM 850 O PRO A 796 3.904 6.598 -2.052 1.00 0.00 O ATOM 851 CB PRO A 796 6.338 5.826 -0.610 1.00 0.00 C ATOM 852 CG PRO A 796 6.454 4.720 -1.601 1.00 0.00 C ATOM 853 CD PRO A 796 5.600 3.600 -1.074 1.00 0.00 C ATOM 0 HA PRO A 796 4.818 6.004 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.505 6.796 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.077 5.724 0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.113 5.041 -2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.491 4.402 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.147 3.026 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.181 2.900 -0.473 1.00 0.00 H new ATOM 861 N HIS A 797 3.252 7.478 -0.086 1.00 0.00 N ATOM 862 CA HIS A 797 2.317 8.418 -0.692 1.00 0.00 C ATOM 863 C HIS A 797 3.061 9.579 -1.346 1.00 0.00 C ATOM 864 O HIS A 797 2.447 10.489 -1.903 1.00 0.00 O ATOM 865 CB HIS A 797 1.342 8.950 0.359 1.00 0.00 C ATOM 866 CG HIS A 797 0.456 10.046 -0.146 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.838 9.832 -0.574 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.683 11.373 -0.289 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.367 10.979 -0.960 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.465 11.930 -0.796 1.00 0.00 N ATOM 0 H HIS A 797 3.298 7.525 0.932 1.00 0.00 H new ATOM 0 HA HIS A 797 1.756 7.888 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.722 8.128 0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 797 1.908 9.317 1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.597 11.896 -0.049 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.367 11.116 -1.344 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.600 12.918 -1.011 1.00 0.00 H new ATOM 878 N LYS A 798 4.387 9.541 -1.273 1.00 0.00 N ATOM 879 CA LYS A 798 5.216 10.589 -1.858 1.00 0.00 C ATOM 880 C LYS A 798 5.783 10.147 -3.202 1.00 0.00 C ATOM 881 O LYS A 798 6.094 10.975 -4.059 1.00 0.00 O ATOM 882 CB LYS A 798 6.357 10.955 -0.906 1.00 0.00 C ATOM 883 CG LYS A 798 7.432 11.815 -1.548 1.00 0.00 C ATOM 884 CD LYS A 798 7.006 13.271 -1.630 1.00 0.00 C ATOM 885 CE LYS A 798 8.040 14.114 -2.360 1.00 0.00 C ATOM 886 NZ LYS A 798 7.895 15.563 -2.049 1.00 0.00 N ATOM 0 H LYS A 798 4.911 8.796 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 798 4.590 11.466 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.946 11.484 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.813 10.039 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.354 11.737 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.649 11.441 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 798 6.048 13.342 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 798 6.858 13.665 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.040 13.782 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 798 7.940 13.962 -3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 8.618 16.103 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 6.949 15.887 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.016 15.713 -1.027 1.00 0.00 H new ATOM 900 N TYR A 799 5.915 8.837 -3.382 1.00 0.00 N ATOM 901 CA TYR A 799 6.446 8.285 -4.623 1.00 0.00 C ATOM 902 C TYR A 799 5.323 7.746 -5.504 1.00 0.00 C ATOM 903 O TYR A 799 5.527 6.823 -6.293 1.00 0.00 O ATOM 904 CB TYR A 799 7.452 7.173 -4.321 1.00 0.00 C ATOM 905 CG TYR A 799 8.724 7.667 -3.670 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.683 8.420 -2.503 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.966 7.381 -4.222 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.842 8.874 -1.905 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.131 7.830 -3.630 1.00 0.00 C ATOM 910 CZ TYR A 799 11.064 8.576 -2.472 1.00 0.00 C ATOM 911 OH TYR A 799 12.222 9.026 -1.880 1.00 0.00 O ATOM 0 H TYR A 799 5.661 8.138 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 799 6.952 9.087 -5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.982 6.437 -3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.704 6.661 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.728 8.654 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.022 6.798 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.792 9.459 -0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.089 7.598 -4.072 1.00 0.00 H new ATOM 0 HH TYR A 799 12.995 8.729 -2.405 1.00 0.00 H new ATOM 921 N ILE A 800 4.138 8.330 -5.363 1.00 0.00 N ATOM 922 CA ILE A 800 2.983 7.911 -6.147 1.00 0.00 C ATOM 923 C ILE A 800 2.129 9.108 -6.552 1.00 0.00 C ATOM 924 O ILE A 800 2.303 10.212 -6.036 1.00 0.00 O ATOM 925 CB ILE A 800 2.108 6.910 -5.369 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.583 7.551 -4.083 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.898 5.648 -5.055 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.330 6.893 -3.548 1.00 0.00 C ATOM 0 H ILE A 800 3.953 9.094 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 800 3.369 7.424 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 800 1.255 6.636 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.361 7.507 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.379 8.605 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.266 4.951 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.227 5.184 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.768 5.904 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.015 7.399 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.463 6.961 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.534 5.845 -3.330 1.00 0.00 H new ATOM 940 N THR A 801 1.203 8.881 -7.479 1.00 0.00 N ATOM 941 CA THR A 801 0.321 9.940 -7.953 1.00 0.00 C ATOM 942 C THR A 801 -1.123 9.458 -8.031 1.00 0.00 C ATOM 943 O THR A 801 -1.532 8.846 -9.019 1.00 0.00 O ATOM 944 CB THR A 801 0.754 10.454 -9.338 1.00 0.00 C ATOM 945 OG1 THR A 801 2.078 10.996 -9.268 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.208 11.517 -9.847 1.00 0.00 C ATOM 0 H THR A 801 1.045 7.973 -7.916 1.00 0.00 H new ATOM 0 HA THR A 801 0.391 10.756 -7.233 1.00 0.00 H new ATOM 0 HB THR A 801 0.742 9.614 -10.032 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.346 11.319 -10.153 1.00 0.00 H new ATOM 0 HG21 THR A 801 0.119 11.865 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.209 11.093 -9.928 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.224 12.356 -9.151 1.00 0.00 H new ATOM 954 N LEU A 802 -1.893 9.738 -6.985 1.00 0.00 N ATOM 955 CA LEU A 802 -3.294 9.334 -6.935 1.00 0.00 C ATOM 956 C LEU A 802 -4.051 9.843 -8.158 1.00 0.00 C ATOM 957 O LEU A 802 -3.651 10.809 -8.808 1.00 0.00 O ATOM 958 CB LEU A 802 -3.952 9.860 -5.659 1.00 0.00 C ATOM 959 CG LEU A 802 -3.679 9.061 -4.384 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.598 9.516 -3.261 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.848 7.570 -4.643 1.00 0.00 C ATOM 0 H LEU A 802 -1.571 10.243 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.333 8.245 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.620 10.886 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.030 9.895 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.649 9.243 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -4.389 8.936 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -4.429 10.573 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.636 9.365 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.650 7.017 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.867 7.371 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.148 7.253 -5.416 1.00 0.00 H new ATOM 973 N PRO A 803 -5.172 9.180 -8.479 1.00 0.00 N ATOM 974 CA PRO A 803 -6.010 9.549 -9.623 1.00 0.00 C ATOM 975 C PRO A 803 -6.738 10.871 -9.406 1.00 0.00 C ATOM 976 O PRO A 803 -6.696 11.442 -8.317 1.00 0.00 O ATOM 977 CB PRO A 803 -7.012 8.396 -9.715 1.00 0.00 C ATOM 978 CG PRO A 803 -7.081 7.842 -8.334 1.00 0.00 C ATOM 979 CD PRO A 803 -5.707 8.019 -7.748 1.00 0.00 C ATOM 0 HA PRO A 803 -5.422 9.694 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.988 8.746 -10.050 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.682 7.641 -10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.829 8.367 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.366 6.790 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.749 8.204 -6.675 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.090 7.132 -7.895 1.00 0.00 H new ATOM 987 N ALA A 804 -7.404 11.352 -10.450 1.00 0.00 N ATOM 988 CA ALA A 804 -8.144 12.606 -10.373 1.00 0.00 C ATOM 989 C ALA A 804 -9.206 12.550 -9.280 1.00 0.00 C ATOM 990 O ALA A 804 -9.298 13.448 -8.444 1.00 0.00 O ATOM 991 CB ALA A 804 -8.782 12.927 -11.716 1.00 0.00 C ATOM 0 H ALA A 804 -7.447 10.892 -11.360 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.440 13.399 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -9.331 13.866 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -8.005 13.019 -12.475 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -9.468 12.126 -11.994 1.00 0.00 H new ATOM 997 N GLY A 805 -10.008 11.490 -9.294 1.00 0.00 N ATOM 998 CA GLY A 805 -11.054 11.337 -8.300 1.00 0.00 C ATOM 999 C GLY A 805 -10.645 11.872 -6.942 1.00 0.00 C ATOM 1000 O GLY A 805 -11.480 12.365 -6.182 1.00 0.00 O ATOM 0 H GLY A 805 -9.952 10.734 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -11.950 11.857 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -11.313 10.282 -8.209 1.00 0.00 H new ATOM 1004 N THR A 806 -9.356 11.774 -6.632 1.00 0.00 N ATOM 1005 CA THR A 806 -8.838 12.249 -5.355 1.00 0.00 C ATOM 1006 C THR A 806 -9.041 13.752 -5.204 1.00 0.00 C ATOM 1007 O THR A 806 -8.243 14.548 -5.698 1.00 0.00 O ATOM 1008 CB THR A 806 -7.340 11.927 -5.202 1.00 0.00 C ATOM 1009 OG1 THR A 806 -7.133 10.512 -5.276 1.00 0.00 O ATOM 1010 CG2 THR A 806 -6.806 12.455 -3.879 1.00 0.00 C ATOM 0 H THR A 806 -8.651 11.370 -7.248 1.00 0.00 H new ATOM 0 HA THR A 806 -9.395 11.730 -4.575 1.00 0.00 H new ATOM 0 HB THR A 806 -6.801 12.415 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 806 -7.108 10.234 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 806 -5.746 12.216 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 806 -6.938 13.536 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 806 -7.350 11.992 -3.056 1.00 0.00 H new ATOM 1018 N GLU A 807 -10.115 14.134 -4.519 1.00 0.00 N ATOM 1019 CA GLU A 807 -10.422 15.543 -4.304 1.00 0.00 C ATOM 1020 C GLU A 807 -9.547 16.128 -3.199 1.00 0.00 C ATOM 1021 O GLU A 807 -9.448 15.568 -2.107 1.00 0.00 O ATOM 1022 CB GLU A 807 -11.899 15.718 -3.946 1.00 0.00 C ATOM 1023 CG GLU A 807 -12.835 15.570 -5.134 1.00 0.00 C ATOM 1024 CD GLU A 807 -14.275 15.893 -4.786 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -14.618 17.093 -4.731 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -15.059 14.946 -4.568 1.00 0.00 O ATOM 0 H GLU A 807 -10.786 13.488 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 807 -10.215 16.079 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -12.170 14.984 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -12.042 16.703 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -12.503 16.228 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -12.777 14.550 -5.513 1.00 0.00 H new ATOM 1033 N LYS A 808 -8.913 17.259 -3.491 1.00 0.00 N ATOM 1034 CA LYS A 808 -8.046 17.922 -2.524 1.00 0.00 C ATOM 1035 C LYS A 808 -8.761 19.101 -1.872 1.00 0.00 C ATOM 1036 O LYS A 808 -8.166 20.157 -1.658 1.00 0.00 O ATOM 1037 CB LYS A 808 -6.763 18.404 -3.205 1.00 0.00 C ATOM 1038 CG LYS A 808 -5.798 17.281 -3.546 1.00 0.00 C ATOM 1039 CD LYS A 808 -4.955 17.622 -4.764 1.00 0.00 C ATOM 1040 CE LYS A 808 -4.013 16.484 -5.126 1.00 0.00 C ATOM 1041 NZ LYS A 808 -2.857 16.402 -4.190 1.00 0.00 N ATOM 0 H LYS A 808 -8.984 17.736 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 808 -7.790 17.200 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -7.025 18.937 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -6.261 19.118 -2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -5.147 17.088 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -6.357 16.364 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -5.607 17.839 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -4.377 18.525 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -4.560 15.541 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -3.647 16.625 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -2.239 15.614 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -2.320 17.292 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -3.204 16.242 -3.223 1.00 0.00 H new ATOM 1055 N GLN A 809 -10.038 18.912 -1.557 1.00 0.00 N ATOM 1056 CA GLN A 809 -10.833 19.961 -0.928 1.00 0.00 C ATOM 1057 C GLN A 809 -10.244 20.354 0.423 1.00 0.00 C ATOM 1058 O GLN A 809 -10.253 21.526 0.798 1.00 0.00 O ATOM 1059 CB GLN A 809 -12.280 19.497 -0.751 1.00 0.00 C ATOM 1060 CG GLN A 809 -12.416 18.235 0.085 1.00 0.00 C ATOM 1061 CD GLN A 809 -13.846 17.970 0.514 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -14.231 18.263 1.646 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -14.642 17.414 -0.392 1.00 0.00 N ATOM 0 H GLN A 809 -10.544 18.043 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 809 -10.816 20.835 -1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -12.855 20.296 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -12.719 19.321 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -12.049 17.383 -0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -11.785 18.320 0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -14.280 17.188 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -15.615 17.213 -0.161 1.00 0.00 H new ATOM 1072 N VAL A 810 -9.732 19.366 1.150 1.00 0.00 N ATOM 1073 CA VAL A 810 -9.138 19.608 2.460 1.00 0.00 C ATOM 1074 C VAL A 810 -7.840 18.826 2.627 1.00 0.00 C ATOM 1075 O VAL A 810 -7.855 17.606 2.790 1.00 0.00 O ATOM 1076 CB VAL A 810 -10.106 19.225 3.595 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -9.456 19.453 4.951 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -11.402 20.012 3.477 1.00 0.00 C ATOM 0 H VAL A 810 -9.717 18.390 0.854 1.00 0.00 H new ATOM 0 HA VAL A 810 -8.926 20.675 2.519 1.00 0.00 H new ATOM 0 HB VAL A 810 -10.342 18.165 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -10.155 19.177 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -8.558 18.841 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -9.189 20.505 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -12.075 19.729 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -11.187 21.079 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -11.875 19.793 2.520 1.00 0.00 H new ATOM 1088 N VAL A 811 -6.718 19.537 2.587 1.00 0.00 N ATOM 1089 CA VAL A 811 -5.410 18.910 2.737 1.00 0.00 C ATOM 1090 C VAL A 811 -4.472 19.784 3.561 1.00 0.00 C ATOM 1091 O VAL A 811 -4.259 20.954 3.246 1.00 0.00 O ATOM 1092 CB VAL A 811 -4.762 18.630 1.368 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -4.728 19.895 0.524 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -3.363 18.061 1.548 1.00 0.00 C ATOM 0 H VAL A 811 -6.688 20.548 2.452 1.00 0.00 H new ATOM 0 HA VAL A 811 -5.570 17.965 3.256 1.00 0.00 H new ATOM 0 HB VAL A 811 -5.366 17.889 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -4.267 19.677 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -5.745 20.255 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -4.148 20.661 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -2.920 17.869 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -2.746 18.777 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -3.419 17.129 2.110 1.00 0.00 H new ATOM 1104 N GLY A 812 -3.913 19.208 4.621 1.00 0.00 N ATOM 1105 CA GLY A 812 -3.003 19.949 5.475 1.00 0.00 C ATOM 1106 C GLY A 812 -1.601 20.023 4.903 1.00 0.00 C ATOM 1107 O GLY A 812 -1.305 19.397 3.886 1.00 0.00 O ATOM 0 H GLY A 812 -4.074 18.241 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -3.387 20.959 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -2.967 19.478 6.457 1.00 0.00 H new ATOM 1111 N ALA A 813 -0.737 20.793 5.557 1.00 0.00 N ATOM 1112 CA ALA A 813 0.641 20.947 5.107 1.00 0.00 C ATOM 1113 C ALA A 813 1.608 20.931 6.286 1.00 0.00 C ATOM 1114 O ALA A 813 1.239 21.273 7.409 1.00 0.00 O ATOM 1115 CB ALA A 813 0.796 22.235 4.312 1.00 0.00 C ATOM 0 H ALA A 813 -0.967 21.320 6.400 1.00 0.00 H new ATOM 0 HA ALA A 813 0.883 20.103 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 813 1.830 22.337 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 813 0.139 22.207 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 813 0.530 23.085 4.941 1.00 0.00 H new ATOM 1121 N GLY A 814 2.848 20.530 6.023 1.00 0.00 N ATOM 1122 CA GLY A 814 3.849 20.477 7.073 1.00 0.00 C ATOM 1123 C GLY A 814 4.384 21.848 7.434 1.00 0.00 C ATOM 1124 O GLY A 814 4.729 22.638 6.556 1.00 0.00 O ATOM 0 H GLY A 814 3.177 20.241 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 814 3.416 20.014 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 814 4.674 19.841 6.752 1.00 0.00 H new TER 1128 GLY A 814