USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 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= -2.28! K(o=-2.5!,f=-1.2) USER MOD Set 1.2: A 791 MET CE :methyl -156:sc= -0.251 (180deg=-0.957) USER MOD Single : A 740 SER OG : rot 23:sc= 0.795 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 -94:sc= 1.05 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 -50:sc= 0.861 USER MOD Single : A 763 GLN : amide:sc= -0.716 X(o=-0.72,f=-0.33) USER MOD Single : A 766 SER OG : rot 34:sc= 0.578 USER MOD Single : A 776 HIS : no HE2:sc= -4.8! K(o=-4.8!,f=-2) USER MOD Single : A 780 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 789 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 797 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-4.6!) 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 120:sc= -0.0885 USER MOD Single : A 808 LYS NZ :NH3+ -173:sc=-0.00435 (180deg=-0.0769) USER MOD Single : A 809 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -8.520 -21.169 1.111 1.00 0.00 N ATOM 2 CA GLY A 739 -9.164 -20.102 0.368 1.00 0.00 C ATOM 3 C GLY A 739 -8.541 -18.747 0.642 1.00 0.00 C ATOM 4 O GLY A 739 -7.730 -18.603 1.556 1.00 0.00 O ATOM 0 HA2 GLY A 739 -9.103 -20.318 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -10.222 -20.071 0.626 1.00 0.00 H new ATOM 8 N SER A 740 -8.921 -17.752 -0.153 1.00 0.00 N ATOM 9 CA SER A 740 -8.390 -16.403 0.005 1.00 0.00 C ATOM 10 C SER A 740 -9.318 -15.375 -0.636 1.00 0.00 C ATOM 11 O SER A 740 -9.797 -15.567 -1.753 1.00 0.00 O ATOM 12 CB SER A 740 -6.995 -16.305 -0.616 1.00 0.00 C ATOM 13 OG SER A 740 -6.003 -16.774 0.281 1.00 0.00 O ATOM 0 H SER A 740 -9.594 -17.854 -0.913 1.00 0.00 H new ATOM 0 HA SER A 740 -8.321 -16.189 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 740 -6.962 -16.887 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 740 -6.786 -15.270 -0.886 1.00 0.00 H new ATOM 0 HG SER A 740 -6.413 -17.376 0.937 1.00 0.00 H new ATOM 19 N SER A 741 -9.567 -14.284 0.081 1.00 0.00 N ATOM 20 CA SER A 741 -10.440 -13.226 -0.415 1.00 0.00 C ATOM 21 C SER A 741 -9.828 -11.852 -0.161 1.00 0.00 C ATOM 22 O SER A 741 -8.814 -11.729 0.525 1.00 0.00 O ATOM 23 CB SER A 741 -11.814 -13.316 0.251 1.00 0.00 C ATOM 24 OG SER A 741 -12.459 -14.536 -0.074 1.00 0.00 O ATOM 0 H SER A 741 -9.177 -14.109 1.007 1.00 0.00 H new ATOM 0 HA SER A 741 -10.556 -13.359 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 741 -11.703 -13.236 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 741 -12.432 -12.477 -0.069 1.00 0.00 H new ATOM 0 HG SER A 741 -13.335 -14.570 0.365 1.00 0.00 H new ATOM 30 N GLY A 742 -10.453 -10.820 -0.720 1.00 0.00 N ATOM 31 CA GLY A 742 -9.956 -9.468 -0.543 1.00 0.00 C ATOM 32 C GLY A 742 -10.178 -8.948 0.863 1.00 0.00 C ATOM 33 O GLY A 742 -10.696 -9.663 1.722 1.00 0.00 O ATOM 0 H GLY A 742 -11.294 -10.896 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -8.891 -9.443 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -10.451 -8.806 -1.254 1.00 0.00 H new ATOM 37 N SER A 743 -9.783 -7.702 1.101 1.00 0.00 N ATOM 38 CA SER A 743 -9.936 -7.089 2.415 1.00 0.00 C ATOM 39 C SER A 743 -11.187 -6.215 2.465 1.00 0.00 C ATOM 40 O SER A 743 -11.713 -5.806 1.430 1.00 0.00 O ATOM 41 CB SER A 743 -8.702 -6.252 2.758 1.00 0.00 C ATOM 42 OG SER A 743 -7.595 -7.080 3.069 1.00 0.00 O ATOM 0 H SER A 743 -9.354 -7.097 0.401 1.00 0.00 H new ATOM 0 HA SER A 743 -10.041 -7.887 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 743 -8.452 -5.606 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 743 -8.923 -5.602 3.605 1.00 0.00 H new ATOM 0 HG SER A 743 -6.819 -6.522 3.283 1.00 0.00 H new ATOM 48 N SER A 744 -11.656 -5.934 3.676 1.00 0.00 N ATOM 49 CA SER A 744 -12.847 -5.113 3.863 1.00 0.00 C ATOM 50 C SER A 744 -12.467 -3.674 4.200 1.00 0.00 C ATOM 51 O SER A 744 -11.975 -3.390 5.291 1.00 0.00 O ATOM 52 CB SER A 744 -13.724 -5.694 4.973 1.00 0.00 C ATOM 53 OG SER A 744 -14.135 -7.014 4.660 1.00 0.00 O ATOM 0 H SER A 744 -11.230 -6.262 4.543 1.00 0.00 H new ATOM 0 HA SER A 744 -13.409 -5.113 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 744 -13.173 -5.695 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 744 -14.600 -5.062 5.117 1.00 0.00 H new ATOM 0 HG SER A 744 -14.693 -7.364 5.386 1.00 0.00 H new ATOM 59 N GLY A 745 -12.700 -2.770 3.253 1.00 0.00 N ATOM 60 CA GLY A 745 -12.376 -1.372 3.468 1.00 0.00 C ATOM 61 C GLY A 745 -13.424 -0.439 2.892 1.00 0.00 C ATOM 62 O GLY A 745 -14.578 -0.827 2.714 1.00 0.00 O ATOM 0 H GLY A 745 -13.107 -2.981 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -12.276 -1.186 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -11.409 -1.152 3.015 1.00 0.00 H new ATOM 66 N GLU A 746 -13.021 0.794 2.602 1.00 0.00 N ATOM 67 CA GLU A 746 -13.936 1.784 2.046 1.00 0.00 C ATOM 68 C GLU A 746 -13.654 2.012 0.563 1.00 0.00 C ATOM 69 O GLU A 746 -13.692 3.143 0.080 1.00 0.00 O ATOM 70 CB GLU A 746 -13.817 3.106 2.808 1.00 0.00 C ATOM 71 CG GLU A 746 -14.991 4.044 2.586 1.00 0.00 C ATOM 72 CD GLU A 746 -16.163 3.737 3.497 1.00 0.00 C ATOM 73 OE1 GLU A 746 -15.942 3.576 4.715 1.00 0.00 O ATOM 74 OE2 GLU A 746 -17.302 3.658 2.991 1.00 0.00 O ATOM 0 H GLU A 746 -12.069 1.131 2.743 1.00 0.00 H new ATOM 0 HA GLU A 746 -14.952 1.403 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -13.728 2.895 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -12.899 3.609 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -14.667 5.071 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -15.315 3.975 1.548 1.00 0.00 H new ATOM 81 N GLY A 747 -13.371 0.928 -0.153 1.00 0.00 N ATOM 82 CA GLY A 747 -13.086 1.031 -1.572 1.00 0.00 C ATOM 83 C GLY A 747 -11.618 0.820 -1.886 1.00 0.00 C ATOM 84 O GLY A 747 -10.770 0.884 -0.996 1.00 0.00 O ATOM 0 H GLY A 747 -13.334 -0.019 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.680 0.294 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.393 2.013 -1.931 1.00 0.00 H new ATOM 88 N VAL A 748 -11.316 0.567 -3.156 1.00 0.00 N ATOM 89 CA VAL A 748 -9.941 0.345 -3.585 1.00 0.00 C ATOM 90 C VAL A 748 -9.449 1.488 -4.465 1.00 0.00 C ATOM 91 O VAL A 748 -10.183 1.994 -5.314 1.00 0.00 O ATOM 92 CB VAL A 748 -9.801 -0.980 -4.357 1.00 0.00 C ATOM 93 CG1 VAL A 748 -8.339 -1.264 -4.670 1.00 0.00 C ATOM 94 CG2 VAL A 748 -10.417 -2.125 -3.567 1.00 0.00 C ATOM 0 H VAL A 748 -12.006 0.511 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.332 0.297 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 748 -10.339 -0.889 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -8.260 -2.204 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.934 -0.456 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -7.775 -1.336 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -10.309 -3.053 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -9.909 -2.219 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -11.475 -1.924 -3.399 1.00 0.00 H new ATOM 104 N VAL A 749 -8.199 1.892 -4.257 1.00 0.00 N ATOM 105 CA VAL A 749 -7.607 2.975 -5.033 1.00 0.00 C ATOM 106 C VAL A 749 -6.278 2.549 -5.647 1.00 0.00 C ATOM 107 O VAL A 749 -5.330 2.225 -4.934 1.00 0.00 O ATOM 108 CB VAL A 749 -7.381 4.228 -4.166 1.00 0.00 C ATOM 109 CG1 VAL A 749 -6.851 5.375 -5.013 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.667 4.626 -3.459 1.00 0.00 C ATOM 0 H VAL A 749 -7.578 1.485 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.311 3.215 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.635 3.993 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.697 6.251 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -5.904 5.084 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.571 5.612 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.489 5.513 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.437 4.842 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -8.998 3.808 -2.819 1.00 0.00 H new ATOM 120 N GLU A 750 -6.219 2.552 -6.975 1.00 0.00 N ATOM 121 CA GLU A 750 -5.005 2.164 -7.685 1.00 0.00 C ATOM 122 C GLU A 750 -4.208 3.394 -8.112 1.00 0.00 C ATOM 123 O GLU A 750 -4.719 4.264 -8.817 1.00 0.00 O ATOM 124 CB GLU A 750 -5.354 1.318 -8.912 1.00 0.00 C ATOM 125 CG GLU A 750 -5.486 -0.165 -8.610 1.00 0.00 C ATOM 126 CD GLU A 750 -6.119 -0.938 -9.751 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.382 -1.338 -10.677 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.350 -1.143 -9.718 1.00 0.00 O ATOM 0 H GLU A 750 -6.996 2.818 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.391 1.572 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.291 1.679 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.584 1.459 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.500 -0.578 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.086 -0.297 -7.710 1.00 0.00 H new ATOM 135 N ALA A 751 -2.954 3.458 -7.678 1.00 0.00 N ATOM 136 CA ALA A 751 -2.086 4.579 -8.015 1.00 0.00 C ATOM 137 C ALA A 751 -0.908 4.124 -8.870 1.00 0.00 C ATOM 138 O ALA A 751 -0.579 2.938 -8.911 1.00 0.00 O ATOM 139 CB ALA A 751 -1.589 5.262 -6.749 1.00 0.00 C ATOM 0 H ALA A 751 -2.516 2.747 -7.092 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.668 5.294 -8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.942 6.097 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.440 5.631 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.029 4.547 -6.146 1.00 0.00 H new ATOM 145 N VAL A 752 -0.276 5.073 -9.552 1.00 0.00 N ATOM 146 CA VAL A 752 0.866 4.769 -10.407 1.00 0.00 C ATOM 147 C VAL A 752 2.167 5.258 -9.779 1.00 0.00 C ATOM 148 O VAL A 752 2.237 6.371 -9.259 1.00 0.00 O ATOM 149 CB VAL A 752 0.710 5.406 -11.800 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.927 5.108 -12.663 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.563 4.913 -12.471 1.00 0.00 C ATOM 0 H VAL A 752 -0.535 6.059 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 752 0.902 3.685 -10.514 1.00 0.00 H new ATOM 0 HB VAL A 752 0.635 6.487 -11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.799 5.566 -13.644 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.819 5.514 -12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.036 4.030 -12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.658 5.373 -13.455 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.521 3.829 -12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.424 5.183 -11.860 1.00 0.00 H new ATOM 161 N ALA A 753 3.196 4.419 -9.833 1.00 0.00 N ATOM 162 CA ALA A 753 4.496 4.766 -9.273 1.00 0.00 C ATOM 163 C ALA A 753 5.114 5.948 -10.011 1.00 0.00 C ATOM 164 O ALA A 753 5.634 5.798 -11.117 1.00 0.00 O ATOM 165 CB ALA A 753 5.429 3.565 -9.320 1.00 0.00 C ATOM 0 H ALA A 753 3.154 3.493 -10.259 1.00 0.00 H new ATOM 0 HA ALA A 753 4.350 5.057 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.396 3.839 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.999 2.748 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.561 3.247 -10.354 1.00 0.00 H new ATOM 171 N CYS A 754 5.052 7.123 -9.394 1.00 0.00 N ATOM 172 CA CYS A 754 5.605 8.332 -9.995 1.00 0.00 C ATOM 173 C CYS A 754 7.126 8.255 -10.070 1.00 0.00 C ATOM 174 O CYS A 754 7.747 8.861 -10.944 1.00 0.00 O ATOM 175 CB CYS A 754 5.184 9.563 -9.191 1.00 0.00 C ATOM 176 SG CYS A 754 5.451 11.132 -10.051 1.00 0.00 S ATOM 0 H CYS A 754 4.625 7.264 -8.479 1.00 0.00 H new ATOM 0 HA CYS A 754 5.213 8.417 -11.009 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.127 9.475 -8.938 1.00 0.00 H new ATOM 0 HB3 CYS A 754 5.737 9.577 -8.252 1.00 0.00 H new ATOM 0 HG CYS A 754 6.606 11.622 -9.711 1.00 0.00 H new ATOM 182 N PHE A 755 7.722 7.506 -9.148 1.00 0.00 N ATOM 183 CA PHE A 755 9.172 7.352 -9.108 1.00 0.00 C ATOM 184 C PHE A 755 9.558 5.982 -8.558 1.00 0.00 C ATOM 185 O PHE A 755 8.827 5.393 -7.762 1.00 0.00 O ATOM 186 CB PHE A 755 9.800 8.454 -8.252 1.00 0.00 C ATOM 187 CG PHE A 755 9.438 9.841 -8.700 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.766 10.280 -9.972 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.768 10.705 -7.849 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.435 11.556 -10.386 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.433 11.982 -8.258 1.00 0.00 C ATOM 192 CZ PHE A 755 8.766 12.408 -9.529 1.00 0.00 C ATOM 0 H PHE A 755 7.224 6.996 -8.419 1.00 0.00 H new ATOM 0 HA PHE A 755 9.550 7.434 -10.127 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.486 8.322 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 755 10.884 8.346 -8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.286 9.618 -10.648 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.504 10.377 -6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 755 9.699 11.887 -11.379 1.00 0.00 H new ATOM 0 HE2 PHE A 755 7.911 12.646 -7.585 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.504 13.405 -9.852 1.00 0.00 H new ATOM 202 N ALA A 756 10.711 5.482 -8.988 1.00 0.00 N ATOM 203 CA ALA A 756 11.196 4.183 -8.538 1.00 0.00 C ATOM 204 C ALA A 756 11.594 4.225 -7.067 1.00 0.00 C ATOM 205 O ALA A 756 12.372 5.083 -6.649 1.00 0.00 O ATOM 206 CB ALA A 756 12.372 3.733 -9.393 1.00 0.00 C ATOM 0 H ALA A 756 11.327 5.957 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 756 10.385 3.463 -8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.724 2.762 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.056 3.654 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.179 4.461 -9.313 1.00 0.00 H new ATOM 212 N TYR A 757 11.056 3.295 -6.287 1.00 0.00 N ATOM 213 CA TYR A 757 11.353 3.228 -4.861 1.00 0.00 C ATOM 214 C TYR A 757 11.813 1.828 -4.465 1.00 0.00 C ATOM 215 O TYR A 757 11.467 0.841 -5.114 1.00 0.00 O ATOM 216 CB TYR A 757 10.122 3.622 -4.043 1.00 0.00 C ATOM 217 CG TYR A 757 10.410 3.821 -2.572 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.846 5.049 -2.089 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.248 2.781 -1.665 1.00 0.00 C ATOM 220 CE1 TYR A 757 11.111 5.235 -0.746 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.509 2.959 -0.320 1.00 0.00 C ATOM 222 CZ TYR A 757 10.941 4.187 0.134 1.00 0.00 C ATOM 223 OH TYR A 757 11.204 4.368 1.473 1.00 0.00 O ATOM 0 H TYR A 757 10.412 2.577 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 757 12.161 3.929 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.705 4.543 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.360 2.850 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.980 5.872 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.912 1.817 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.449 6.196 -0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.375 2.141 0.372 1.00 0.00 H new ATOM 0 HH TYR A 757 11.033 3.533 1.956 1.00 0.00 H new ATOM 233 N THR A 758 12.596 1.751 -3.393 1.00 0.00 N ATOM 234 CA THR A 758 13.105 0.474 -2.909 1.00 0.00 C ATOM 235 C THR A 758 12.842 0.307 -1.417 1.00 0.00 C ATOM 236 O THR A 758 13.575 0.838 -0.584 1.00 0.00 O ATOM 237 CB THR A 758 14.617 0.336 -3.171 1.00 0.00 C ATOM 238 OG1 THR A 758 14.875 0.369 -4.579 1.00 0.00 O ATOM 239 CG2 THR A 758 15.152 -0.961 -2.583 1.00 0.00 C ATOM 0 H THR A 758 12.891 2.558 -2.844 1.00 0.00 H new ATOM 0 HA THR A 758 12.576 -0.305 -3.458 1.00 0.00 H new ATOM 0 HB THR A 758 15.125 1.172 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.838 0.282 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.221 -1.036 -2.781 1.00 0.00 H new ATOM 0 HG22 THR A 758 14.980 -0.971 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.638 -1.807 -3.040 1.00 0.00 H new ATOM 247 N GLY A 759 11.791 -0.436 -1.085 1.00 0.00 N ATOM 248 CA GLY A 759 11.450 -0.660 0.307 1.00 0.00 C ATOM 249 C GLY A 759 12.671 -0.922 1.168 1.00 0.00 C ATOM 250 O GLY A 759 13.552 -1.693 0.788 1.00 0.00 O ATOM 0 H GLY A 759 11.169 -0.887 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.917 0.210 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.769 -1.508 0.379 1.00 0.00 H new ATOM 254 N ARG A 760 12.723 -0.277 2.329 1.00 0.00 N ATOM 255 CA ARG A 760 13.846 -0.442 3.244 1.00 0.00 C ATOM 256 C ARG A 760 13.706 -1.729 4.051 1.00 0.00 C ATOM 257 O ARG A 760 14.696 -2.396 4.355 1.00 0.00 O ATOM 258 CB ARG A 760 13.942 0.757 4.189 1.00 0.00 C ATOM 259 CG ARG A 760 14.444 2.024 3.516 1.00 0.00 C ATOM 260 CD ARG A 760 14.690 3.132 4.528 1.00 0.00 C ATOM 261 NE ARG A 760 13.446 3.759 4.967 1.00 0.00 N ATOM 262 CZ ARG A 760 13.396 4.767 5.830 1.00 0.00 C ATOM 263 NH1 ARG A 760 14.514 5.260 6.345 1.00 0.00 N ATOM 264 NH2 ARG A 760 12.225 5.284 6.180 1.00 0.00 N ATOM 0 H ARG A 760 12.001 0.364 2.658 1.00 0.00 H new ATOM 0 HA ARG A 760 14.759 -0.503 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 760 12.959 0.949 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.608 0.506 5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 760 15.367 1.810 2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 760 13.715 2.359 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 760 15.215 2.724 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 760 15.341 3.887 4.087 1.00 0.00 H new ATOM 0 HE ARG A 760 12.568 3.403 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 760 15.416 4.865 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 760 14.472 6.034 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 760 11.363 4.907 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 760 12.187 6.058 6.843 1.00 0.00 H new ATOM 278 N THR A 761 12.469 -2.074 4.395 1.00 0.00 N ATOM 279 CA THR A 761 12.198 -3.280 5.168 1.00 0.00 C ATOM 280 C THR A 761 11.037 -4.066 4.571 1.00 0.00 C ATOM 281 O THR A 761 10.239 -3.527 3.805 1.00 0.00 O ATOM 282 CB THR A 761 11.877 -2.945 6.637 1.00 0.00 C ATOM 283 OG1 THR A 761 10.660 -2.194 6.713 1.00 0.00 O ATOM 284 CG2 THR A 761 13.009 -2.152 7.271 1.00 0.00 C ATOM 0 H THR A 761 11.638 -1.535 4.150 1.00 0.00 H new ATOM 0 HA THR A 761 13.101 -3.889 5.132 1.00 0.00 H new ATOM 0 HB THR A 761 11.761 -3.881 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.700 -1.442 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 761 12.759 -1.927 8.308 1.00 0.00 H new ATOM 0 HG22 THR A 761 13.927 -2.738 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.153 -1.221 6.722 1.00 0.00 H new ATOM 292 N ALA A 762 10.947 -5.343 4.929 1.00 0.00 N ATOM 293 CA ALA A 762 9.880 -6.202 4.431 1.00 0.00 C ATOM 294 C ALA A 762 8.547 -5.463 4.403 1.00 0.00 C ATOM 295 O ALA A 762 7.815 -5.522 3.415 1.00 0.00 O ATOM 296 CB ALA A 762 9.772 -7.458 5.284 1.00 0.00 C ATOM 0 H ALA A 762 11.600 -5.805 5.562 1.00 0.00 H new ATOM 0 HA ALA A 762 10.127 -6.490 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.971 -8.090 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.715 -8.004 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.553 -7.180 6.315 1.00 0.00 H new ATOM 302 N GLN A 763 8.238 -4.769 5.493 1.00 0.00 N ATOM 303 CA GLN A 763 6.991 -4.019 5.593 1.00 0.00 C ATOM 304 C GLN A 763 6.769 -3.164 4.350 1.00 0.00 C ATOM 305 O GLN A 763 5.655 -3.082 3.834 1.00 0.00 O ATOM 306 CB GLN A 763 7.003 -3.133 6.840 1.00 0.00 C ATOM 307 CG GLN A 763 6.553 -3.852 8.102 1.00 0.00 C ATOM 308 CD GLN A 763 5.100 -4.280 8.043 1.00 0.00 C ATOM 309 OE1 GLN A 763 4.201 -3.517 8.396 1.00 0.00 O ATOM 310 NE2 GLN A 763 4.862 -5.507 7.593 1.00 0.00 N ATOM 0 H GLN A 763 8.833 -4.710 6.319 1.00 0.00 H new ATOM 0 HA GLN A 763 6.172 -4.734 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.011 -2.747 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.355 -2.273 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 763 7.180 -4.730 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 763 6.700 -3.197 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 763 5.638 -6.106 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 763 3.903 -5.850 7.530 1.00 0.00 H new ATOM 319 N GLU A 764 7.836 -2.530 3.875 1.00 0.00 N ATOM 320 CA GLU A 764 7.755 -1.681 2.692 1.00 0.00 C ATOM 321 C GLU A 764 7.947 -2.501 1.420 1.00 0.00 C ATOM 322 O GLU A 764 8.706 -3.470 1.400 1.00 0.00 O ATOM 323 CB GLU A 764 8.808 -0.572 2.761 1.00 0.00 C ATOM 324 CG GLU A 764 8.543 0.452 3.852 1.00 0.00 C ATOM 325 CD GLU A 764 8.449 -0.174 5.229 1.00 0.00 C ATOM 326 OE1 GLU A 764 7.359 -0.670 5.583 1.00 0.00 O ATOM 327 OE2 GLU A 764 9.466 -0.168 5.954 1.00 0.00 O ATOM 0 H GLU A 764 8.766 -2.588 4.290 1.00 0.00 H new ATOM 0 HA GLU A 764 6.763 -1.230 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.787 -1.022 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.850 -0.062 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.340 1.195 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.615 0.979 3.633 1.00 0.00 H new ATOM 334 N LEU A 765 7.253 -2.105 0.358 1.00 0.00 N ATOM 335 CA LEU A 765 7.345 -2.802 -0.920 1.00 0.00 C ATOM 336 C LEU A 765 8.397 -2.159 -1.817 1.00 0.00 C ATOM 337 O LEU A 765 9.009 -1.155 -1.451 1.00 0.00 O ATOM 338 CB LEU A 765 5.987 -2.799 -1.624 1.00 0.00 C ATOM 339 CG LEU A 765 4.907 -3.687 -1.005 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.527 -3.258 -1.477 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.159 -5.149 -1.345 1.00 0.00 C ATOM 0 H LEU A 765 6.620 -1.305 0.357 1.00 0.00 H new ATOM 0 HA LEU A 765 7.643 -3.832 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.616 -1.774 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.136 -3.110 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 765 4.948 -3.574 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.772 -3.902 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.346 -2.224 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.472 -3.340 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.381 -5.766 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.146 -5.278 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.131 -5.451 -0.955 1.00 0.00 H new ATOM 353 N SER A 766 8.601 -2.742 -2.994 1.00 0.00 N ATOM 354 CA SER A 766 9.581 -2.226 -3.943 1.00 0.00 C ATOM 355 C SER A 766 9.041 -2.288 -5.368 1.00 0.00 C ATOM 356 O SER A 766 8.844 -3.369 -5.924 1.00 0.00 O ATOM 357 CB SER A 766 10.885 -3.021 -3.845 1.00 0.00 C ATOM 358 OG SER A 766 10.665 -4.395 -4.110 1.00 0.00 O ATOM 0 H SER A 766 8.101 -3.572 -3.313 1.00 0.00 H new ATOM 0 HA SER A 766 9.779 -1.184 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.612 -2.623 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.313 -2.903 -2.849 1.00 0.00 H new ATOM 0 HG SER A 766 9.958 -4.489 -4.782 1.00 0.00 H new ATOM 364 N PHE A 767 8.802 -1.119 -5.955 1.00 0.00 N ATOM 365 CA PHE A 767 8.284 -1.039 -7.315 1.00 0.00 C ATOM 366 C PHE A 767 9.082 -0.036 -8.143 1.00 0.00 C ATOM 367 O PHE A 767 9.767 0.829 -7.598 1.00 0.00 O ATOM 368 CB PHE A 767 6.806 -0.641 -7.298 1.00 0.00 C ATOM 369 CG PHE A 767 6.513 0.539 -6.416 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.766 1.828 -6.856 1.00 0.00 C ATOM 371 CD2 PHE A 767 5.986 0.359 -5.148 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.498 2.917 -6.047 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.715 1.443 -4.335 1.00 0.00 C ATOM 374 CZ PHE A 767 5.972 2.724 -4.785 1.00 0.00 C ATOM 0 H PHE A 767 8.959 -0.215 -5.510 1.00 0.00 H new ATOM 0 HA PHE A 767 8.383 -2.023 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.488 -0.412 -8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.213 -1.492 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.177 1.984 -7.842 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.785 -0.640 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.700 3.917 -6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.303 1.289 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.762 3.573 -4.151 1.00 0.00 H new ATOM 384 N ARG A 768 8.988 -0.160 -9.463 1.00 0.00 N ATOM 385 CA ARG A 768 9.702 0.734 -10.367 1.00 0.00 C ATOM 386 C ARG A 768 8.751 1.750 -10.992 1.00 0.00 C ATOM 387 O ARG A 768 7.552 1.498 -11.115 1.00 0.00 O ATOM 388 CB ARG A 768 10.401 -0.069 -11.466 1.00 0.00 C ATOM 389 CG ARG A 768 11.618 -0.838 -10.978 1.00 0.00 C ATOM 390 CD ARG A 768 12.240 -1.663 -12.093 1.00 0.00 C ATOM 391 NE ARG A 768 11.431 -2.833 -12.424 1.00 0.00 N ATOM 392 CZ ARG A 768 11.273 -3.872 -11.611 1.00 0.00 C ATOM 393 NH1 ARG A 768 11.866 -3.885 -10.424 1.00 0.00 N ATOM 394 NH2 ARG A 768 10.521 -4.900 -11.983 1.00 0.00 N ATOM 0 H ARG A 768 8.425 -0.871 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 768 10.451 1.273 -9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.689 -0.770 -11.901 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.706 0.610 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.357 -0.140 -10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.330 -1.494 -10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 768 12.359 -1.042 -12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 768 13.237 -1.985 -11.793 1.00 0.00 H new ATOM 0 HE ARG A 768 10.961 -2.854 -13.329 1.00 0.00 H new ATOM 0 HH11 ARG A 768 12.444 -3.096 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 768 11.743 -4.684 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 768 10.063 -4.893 -12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 768 10.401 -5.697 -11.358 1.00 0.00 H new ATOM 408 N ARG A 769 9.293 2.899 -11.383 1.00 0.00 N ATOM 409 CA ARG A 769 8.492 3.953 -11.993 1.00 0.00 C ATOM 410 C ARG A 769 7.560 3.381 -13.057 1.00 0.00 C ATOM 411 O ARG A 769 8.007 2.746 -14.011 1.00 0.00 O ATOM 412 CB ARG A 769 9.399 5.018 -12.612 1.00 0.00 C ATOM 413 CG ARG A 769 8.715 6.361 -12.809 1.00 0.00 C ATOM 414 CD ARG A 769 9.409 7.188 -13.880 1.00 0.00 C ATOM 415 NE ARG A 769 10.585 7.880 -13.360 1.00 0.00 N ATOM 416 CZ ARG A 769 11.231 8.833 -14.023 1.00 0.00 C ATOM 417 NH1 ARG A 769 10.817 9.204 -15.227 1.00 0.00 N ATOM 418 NH2 ARG A 769 12.293 9.416 -13.483 1.00 0.00 N ATOM 0 H ARG A 769 10.283 3.123 -11.288 1.00 0.00 H new ATOM 0 HA ARG A 769 7.885 4.412 -11.213 1.00 0.00 H new ATOM 0 HB2 ARG A 769 10.272 5.155 -11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.761 4.659 -13.576 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.673 6.203 -13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.713 6.911 -11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 769 9.705 6.539 -14.704 1.00 0.00 H new ATOM 0 HD3 ARG A 769 8.708 7.918 -14.285 1.00 0.00 H new ATOM 0 HE ARG A 769 10.930 7.617 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.001 8.757 -15.646 1.00 0.00 H new ATOM 0 HH12 ARG A 769 11.314 9.936 -15.734 1.00 0.00 H new ATOM 0 HH21 ARG A 769 12.615 9.133 -12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 769 12.788 10.147 -13.993 1.00 0.00 H new ATOM 432 N GLY A 770 6.262 3.611 -12.886 1.00 0.00 N ATOM 433 CA GLY A 770 5.288 3.112 -13.839 1.00 0.00 C ATOM 434 C GLY A 770 4.496 1.939 -13.297 1.00 0.00 C ATOM 435 O GLY A 770 3.327 1.759 -13.640 1.00 0.00 O ATOM 0 H GLY A 770 5.867 4.134 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.603 3.916 -14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.800 2.810 -14.753 1.00 0.00 H new ATOM 439 N ASP A 771 5.132 1.138 -12.450 1.00 0.00 N ATOM 440 CA ASP A 771 4.480 -0.025 -11.860 1.00 0.00 C ATOM 441 C ASP A 771 3.277 0.394 -11.021 1.00 0.00 C ATOM 442 O ASP A 771 3.421 1.080 -10.009 1.00 0.00 O ATOM 443 CB ASP A 771 5.470 -0.810 -10.998 1.00 0.00 C ATOM 444 CG ASP A 771 6.427 -1.642 -11.828 1.00 0.00 C ATOM 445 OD1 ASP A 771 7.375 -1.063 -12.399 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.229 -2.873 -11.906 1.00 0.00 O ATOM 0 H ASP A 771 6.099 1.273 -12.156 1.00 0.00 H new ATOM 0 HA ASP A 771 4.130 -0.664 -12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 771 6.039 -0.116 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.919 -1.463 -10.320 1.00 0.00 H new ATOM 451 N VAL A 772 2.089 -0.022 -11.450 1.00 0.00 N ATOM 452 CA VAL A 772 0.860 0.311 -10.738 1.00 0.00 C ATOM 453 C VAL A 772 0.693 -0.557 -9.496 1.00 0.00 C ATOM 454 O VAL A 772 1.034 -1.740 -9.501 1.00 0.00 O ATOM 455 CB VAL A 772 -0.375 0.139 -11.642 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.635 0.585 -10.914 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.198 0.911 -12.940 1.00 0.00 C ATOM 0 H VAL A 772 1.952 -0.590 -12.286 1.00 0.00 H new ATOM 0 HA VAL A 772 0.939 1.356 -10.439 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.480 -0.918 -11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.498 0.457 -11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.768 -0.017 -10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.543 1.635 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.080 0.778 -13.566 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.067 1.970 -12.718 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.680 0.539 -13.467 1.00 0.00 H new ATOM 467 N LEU A 773 0.165 0.039 -8.432 1.00 0.00 N ATOM 468 CA LEU A 773 -0.049 -0.679 -7.181 1.00 0.00 C ATOM 469 C LEU A 773 -1.447 -0.413 -6.632 1.00 0.00 C ATOM 470 O LEU A 773 -1.908 0.728 -6.610 1.00 0.00 O ATOM 471 CB LEU A 773 1.003 -0.270 -6.148 1.00 0.00 C ATOM 472 CG LEU A 773 2.360 0.161 -6.707 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.017 1.179 -5.788 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.265 -1.047 -6.902 1.00 0.00 C ATOM 0 H LEU A 773 -0.123 1.017 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 773 0.045 -1.746 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.600 0.550 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.162 -1.108 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 773 2.199 0.629 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.981 1.474 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.376 2.056 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.165 0.737 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.226 -0.721 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.419 -1.545 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.799 -1.742 -7.601 1.00 0.00 H new ATOM 486 N ARG A 774 -2.115 -1.472 -6.188 1.00 0.00 N ATOM 487 CA ARG A 774 -3.460 -1.352 -5.638 1.00 0.00 C ATOM 488 C ARG A 774 -3.411 -1.004 -4.153 1.00 0.00 C ATOM 489 O ARG A 774 -2.907 -1.778 -3.339 1.00 0.00 O ATOM 490 CB ARG A 774 -4.235 -2.655 -5.841 1.00 0.00 C ATOM 491 CG ARG A 774 -5.321 -2.886 -4.803 1.00 0.00 C ATOM 492 CD ARG A 774 -6.456 -3.730 -5.363 1.00 0.00 C ATOM 493 NE ARG A 774 -7.119 -4.513 -4.323 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.529 -5.499 -3.656 1.00 0.00 C ATOM 495 NH1 ARG A 774 -5.269 -5.820 -3.918 1.00 0.00 N ATOM 496 NH2 ARG A 774 -7.199 -6.165 -2.725 1.00 0.00 N ATOM 0 H ARG A 774 -1.747 -2.423 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.971 -0.547 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -4.688 -2.648 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -3.536 -3.491 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -4.893 -3.382 -3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -5.712 -1.927 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -7.185 -3.081 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.066 -4.401 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 774 -8.088 -4.290 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -4.751 -5.309 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -4.818 -6.577 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -8.168 -5.920 -2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -6.745 -6.922 -2.213 1.00 0.00 H new ATOM 510 N LEU A 775 -3.936 0.167 -3.808 1.00 0.00 N ATOM 511 CA LEU A 775 -3.953 0.619 -2.421 1.00 0.00 C ATOM 512 C LEU A 775 -5.172 0.074 -1.685 1.00 0.00 C ATOM 513 O LEU A 775 -6.261 0.645 -1.759 1.00 0.00 O ATOM 514 CB LEU A 775 -3.948 2.147 -2.363 1.00 0.00 C ATOM 515 CG LEU A 775 -2.867 2.847 -3.188 1.00 0.00 C ATOM 516 CD1 LEU A 775 -2.954 4.355 -3.012 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.486 2.342 -2.797 1.00 0.00 C ATOM 0 H LEU A 775 -4.355 0.820 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.057 0.240 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -4.921 2.506 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -3.836 2.451 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.033 2.614 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.177 4.836 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -3.932 4.704 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -2.815 4.607 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.730 2.851 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.310 2.544 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.427 1.268 -2.976 1.00 0.00 H new ATOM 529 N HIS A 776 -4.983 -1.032 -0.974 1.00 0.00 N ATOM 530 CA HIS A 776 -6.067 -1.653 -0.221 1.00 0.00 C ATOM 531 C HIS A 776 -6.790 -0.622 0.641 1.00 0.00 C ATOM 532 O HIS A 776 -8.005 -0.459 0.541 1.00 0.00 O ATOM 533 CB HIS A 776 -5.526 -2.781 0.658 1.00 0.00 C ATOM 534 CG HIS A 776 -4.656 -3.750 -0.080 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.181 -4.916 0.484 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.175 -3.723 -1.345 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.445 -5.563 -0.402 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.426 -4.861 -1.521 1.00 0.00 N ATOM 0 H HIS A 776 -4.089 -1.517 -0.903 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.779 -2.069 -0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.957 -2.348 1.481 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.364 -3.321 1.099 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.369 -5.230 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.348 -2.950 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -2.944 -6.506 -0.239 1.00 0.00 H new ATOM 546 N GLU A 777 -6.033 0.070 1.486 1.00 0.00 N ATOM 547 CA GLU A 777 -6.602 1.084 2.366 1.00 0.00 C ATOM 548 C GLU A 777 -5.504 1.921 3.015 1.00 0.00 C ATOM 549 O GLU A 777 -4.396 1.437 3.248 1.00 0.00 O ATOM 550 CB GLU A 777 -7.463 0.427 3.447 1.00 0.00 C ATOM 551 CG GLU A 777 -8.088 1.419 4.414 1.00 0.00 C ATOM 552 CD GLU A 777 -9.352 2.053 3.865 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.466 2.168 2.627 1.00 0.00 O ATOM 554 OE2 GLU A 777 -10.225 2.432 4.672 1.00 0.00 O ATOM 0 H GLU A 777 -5.025 -0.053 1.580 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.227 1.742 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.255 -0.149 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.850 -0.278 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -8.318 0.912 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.364 2.201 4.644 1.00 0.00 H new ATOM 561 N ARG A 778 -5.819 3.180 3.302 1.00 0.00 N ATOM 562 CA ARG A 778 -4.859 4.085 3.922 1.00 0.00 C ATOM 563 C ARG A 778 -4.237 3.452 5.163 1.00 0.00 C ATOM 564 O ARG A 778 -4.941 3.080 6.101 1.00 0.00 O ATOM 565 CB ARG A 778 -5.537 5.405 4.295 1.00 0.00 C ATOM 566 CG ARG A 778 -4.560 6.512 4.655 1.00 0.00 C ATOM 567 CD ARG A 778 -3.746 6.951 3.448 1.00 0.00 C ATOM 568 NE ARG A 778 -3.242 8.314 3.595 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.025 9.386 3.646 1.00 0.00 C ATOM 570 NH1 ARG A 778 -5.342 9.254 3.564 1.00 0.00 N ATOM 571 NH2 ARG A 778 -3.492 10.593 3.781 1.00 0.00 N ATOM 0 H ARG A 778 -6.731 3.596 3.115 1.00 0.00 H new ATOM 0 HA ARG A 778 -4.066 4.283 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.155 5.735 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.206 5.234 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.107 7.365 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.889 6.165 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.908 6.268 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.363 6.887 2.552 1.00 0.00 H new ATOM 0 HE ARG A 778 -2.233 8.450 3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -5.756 8.328 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -5.941 10.079 3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -2.480 10.699 3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -4.095 11.415 3.820 1.00 0.00 H new ATOM 585 N ALA A 779 -2.913 3.333 5.160 1.00 0.00 N ATOM 586 CA ALA A 779 -2.196 2.747 6.286 1.00 0.00 C ATOM 587 C ALA A 779 -1.764 3.819 7.280 1.00 0.00 C ATOM 588 O ALA A 779 -1.971 3.680 8.486 1.00 0.00 O ATOM 589 CB ALA A 779 -0.988 1.964 5.792 1.00 0.00 C ATOM 0 H ALA A 779 -2.315 3.635 4.390 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.872 2.064 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.462 1.532 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.319 1.166 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.317 2.632 5.252 1.00 0.00 H new ATOM 595 N SER A 780 -1.162 4.887 6.767 1.00 0.00 N ATOM 596 CA SER A 780 -0.697 5.981 7.611 1.00 0.00 C ATOM 597 C SER A 780 -0.967 7.330 6.951 1.00 0.00 C ATOM 598 O SER A 780 -1.592 7.401 5.893 1.00 0.00 O ATOM 599 CB SER A 780 0.799 5.832 7.898 1.00 0.00 C ATOM 600 OG SER A 780 1.133 6.381 9.160 1.00 0.00 O ATOM 0 H SER A 780 -0.985 5.018 5.771 1.00 0.00 H new ATOM 0 HA SER A 780 -1.247 5.940 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.074 4.778 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.374 6.331 7.117 1.00 0.00 H new ATOM 0 HG SER A 780 2.094 6.272 9.320 1.00 0.00 H new ATOM 606 N SER A 781 -0.491 8.398 7.584 1.00 0.00 N ATOM 607 CA SER A 781 -0.684 9.745 7.061 1.00 0.00 C ATOM 608 C SER A 781 0.020 9.913 5.718 1.00 0.00 C ATOM 609 O SER A 781 -0.532 10.494 4.783 1.00 0.00 O ATOM 610 CB SER A 781 -0.161 10.781 8.057 1.00 0.00 C ATOM 611 OG SER A 781 -0.846 12.014 7.918 1.00 0.00 O ATOM 0 H SER A 781 0.031 8.356 8.459 1.00 0.00 H new ATOM 0 HA SER A 781 -1.753 9.901 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 781 -0.283 10.407 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 781 0.907 10.935 7.900 1.00 0.00 H new ATOM 0 HG SER A 781 -0.494 12.659 8.567 1.00 0.00 H new ATOM 617 N ASP A 782 1.242 9.400 5.630 1.00 0.00 N ATOM 618 CA ASP A 782 2.023 9.491 4.402 1.00 0.00 C ATOM 619 C ASP A 782 2.395 8.103 3.890 1.00 0.00 C ATOM 620 O ASP A 782 3.481 7.901 3.347 1.00 0.00 O ATOM 621 CB ASP A 782 3.289 10.317 4.637 1.00 0.00 C ATOM 622 CG ASP A 782 3.072 11.795 4.380 1.00 0.00 C ATOM 623 OD1 ASP A 782 1.936 12.272 4.583 1.00 0.00 O ATOM 624 OD2 ASP A 782 4.038 12.475 3.973 1.00 0.00 O ATOM 0 H ASP A 782 1.713 8.917 6.395 1.00 0.00 H new ATOM 0 HA ASP A 782 1.411 9.985 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.626 10.175 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.084 9.951 3.987 1.00 0.00 H new ATOM 629 N TRP A 783 1.487 7.150 4.068 1.00 0.00 N ATOM 630 CA TRP A 783 1.720 5.780 3.624 1.00 0.00 C ATOM 631 C TRP A 783 0.408 5.098 3.251 1.00 0.00 C ATOM 632 O TRP A 783 -0.668 5.538 3.656 1.00 0.00 O ATOM 633 CB TRP A 783 2.430 4.982 4.719 1.00 0.00 C ATOM 634 CG TRP A 783 3.856 5.395 4.925 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.316 6.355 5.780 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.007 4.862 4.261 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.684 6.450 5.688 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.132 5.544 4.764 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.197 3.873 3.292 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.425 5.269 4.328 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.482 3.601 2.861 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.582 4.296 3.379 1.00 0.00 C ATOM 0 H TRP A 783 0.583 7.300 4.516 1.00 0.00 H new ATOM 0 HA TRP A 783 2.355 5.814 2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.886 5.101 5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.399 3.923 4.465 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.696 6.952 6.433 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.271 7.092 6.222 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.355 3.331 2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.275 5.805 4.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.640 2.839 2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.574 4.059 3.022 1.00 0.00 H new ATOM 653 N TRP A 784 0.505 4.024 2.477 1.00 0.00 N ATOM 654 CA TRP A 784 -0.676 3.281 2.049 1.00 0.00 C ATOM 655 C TRP A 784 -0.422 1.779 2.102 1.00 0.00 C ATOM 656 O TRP A 784 0.710 1.337 2.299 1.00 0.00 O ATOM 657 CB TRP A 784 -1.077 3.694 0.632 1.00 0.00 C ATOM 658 CG TRP A 784 -1.508 5.126 0.530 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.707 6.230 0.602 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.843 5.607 0.339 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.464 7.369 0.468 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.777 7.014 0.304 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.087 4.988 0.192 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.907 7.808 0.130 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.208 5.777 0.020 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.112 7.175 -0.011 1.00 0.00 C ATOM 0 H TRP A 784 1.388 3.647 2.133 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.491 3.517 2.733 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.235 3.527 -0.039 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.889 3.052 0.290 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.364 6.211 0.743 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.106 8.324 0.487 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.171 3.911 0.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.835 8.885 0.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.175 5.309 -0.092 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.007 7.764 -0.149 1.00 0.00 H new ATOM 677 N ARG A 785 -1.483 0.998 1.924 1.00 0.00 N ATOM 678 CA ARG A 785 -1.375 -0.456 1.952 1.00 0.00 C ATOM 679 C ARG A 785 -1.678 -1.051 0.580 1.00 0.00 C ATOM 680 O ARG A 785 -2.714 -0.763 -0.017 1.00 0.00 O ATOM 681 CB ARG A 785 -2.329 -1.040 2.996 1.00 0.00 C ATOM 682 CG ARG A 785 -1.711 -1.180 4.377 1.00 0.00 C ATOM 683 CD ARG A 785 -0.461 -2.044 4.342 1.00 0.00 C ATOM 684 NE ARG A 785 -0.124 -2.573 5.661 1.00 0.00 N ATOM 685 CZ ARG A 785 -0.864 -3.469 6.304 1.00 0.00 C ATOM 686 NH1 ARG A 785 -1.976 -3.934 5.753 1.00 0.00 N ATOM 687 NH2 ARG A 785 -0.492 -3.902 7.502 1.00 0.00 N ATOM 0 H ARG A 785 -2.427 1.348 1.759 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.351 -0.714 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.211 -0.404 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.668 -2.019 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -1.462 -0.193 4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -2.439 -1.618 5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -0.611 -2.871 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 785 0.375 -1.457 3.963 1.00 0.00 H new ATOM 0 HE ARG A 785 0.726 -2.236 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -2.266 -3.604 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -2.542 -4.622 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 785 0.363 -3.547 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.061 -4.590 7.995 1.00 0.00 H new ATOM 701 N GLY A 786 -0.765 -1.882 0.086 1.00 0.00 N ATOM 702 CA GLY A 786 -0.953 -2.503 -1.212 1.00 0.00 C ATOM 703 C GLY A 786 -0.199 -3.812 -1.342 1.00 0.00 C ATOM 704 O GLY A 786 0.509 -4.222 -0.423 1.00 0.00 O ATOM 0 H GLY A 786 0.101 -2.136 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.016 -2.681 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.621 -1.817 -1.991 1.00 0.00 H new ATOM 708 N GLU A 787 -0.352 -4.469 -2.488 1.00 0.00 N ATOM 709 CA GLU A 787 0.319 -5.740 -2.734 1.00 0.00 C ATOM 710 C GLU A 787 0.880 -5.795 -4.152 1.00 0.00 C ATOM 711 O GLU A 787 0.138 -5.685 -5.129 1.00 0.00 O ATOM 712 CB GLU A 787 -0.648 -6.904 -2.511 1.00 0.00 C ATOM 713 CG GLU A 787 -0.249 -8.176 -3.241 1.00 0.00 C ATOM 714 CD GLU A 787 -1.237 -9.306 -3.026 1.00 0.00 C ATOM 715 OE1 GLU A 787 -1.754 -9.437 -1.897 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.493 -10.060 -3.988 1.00 0.00 O ATOM 0 H GLU A 787 -0.934 -4.142 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 787 1.148 -5.825 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.712 -7.113 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.644 -6.605 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.167 -7.968 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.738 -8.491 -2.901 1.00 0.00 H new ATOM 723 N HIS A 788 2.194 -5.964 -4.257 1.00 0.00 N ATOM 724 CA HIS A 788 2.855 -6.033 -5.555 1.00 0.00 C ATOM 725 C HIS A 788 2.696 -7.419 -6.173 1.00 0.00 C ATOM 726 O HIS A 788 2.029 -8.287 -5.610 1.00 0.00 O ATOM 727 CB HIS A 788 4.338 -5.692 -5.415 1.00 0.00 C ATOM 728 CG HIS A 788 4.919 -5.034 -6.628 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.238 -4.639 -6.712 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.353 -4.703 -7.813 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.457 -4.092 -7.895 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.329 -4.120 -8.582 1.00 0.00 N ATOM 0 H HIS A 788 2.822 -6.056 -3.459 1.00 0.00 H new ATOM 0 HA HIS A 788 2.383 -5.304 -6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.471 -5.034 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.894 -6.606 -5.206 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.325 -4.867 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.398 -3.690 -8.241 1.00 0.00 H new ATOM 0 HE2 HIS A 788 5.204 -3.766 -9.530 1.00 0.00 H new ATOM 740 N ASN A 789 3.312 -7.619 -7.334 1.00 0.00 N ATOM 741 CA ASN A 789 3.237 -8.899 -8.028 1.00 0.00 C ATOM 742 C ASN A 789 3.955 -9.989 -7.238 1.00 0.00 C ATOM 743 O ASN A 789 5.030 -10.445 -7.625 1.00 0.00 O ATOM 744 CB ASN A 789 3.848 -8.780 -9.426 1.00 0.00 C ATOM 745 CG ASN A 789 3.233 -9.756 -10.410 1.00 0.00 C ATOM 746 OD1 ASN A 789 2.558 -9.355 -11.359 1.00 0.00 O ATOM 747 ND2 ASN A 789 3.463 -11.045 -10.188 1.00 0.00 N ATOM 0 H ASN A 789 3.868 -6.911 -7.813 1.00 0.00 H new ATOM 0 HA ASN A 789 2.186 -9.174 -8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 789 3.712 -7.763 -9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 789 4.922 -8.956 -9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 789 3.074 -11.748 -10.817 1.00 0.00 H new ATOM 0 HD22 ASN A 789 4.028 -11.332 -9.389 1.00 0.00 H new ATOM 754 N GLY A 790 3.350 -10.403 -6.129 1.00 0.00 N ATOM 755 CA GLY A 790 3.945 -11.437 -5.302 1.00 0.00 C ATOM 756 C GLY A 790 4.418 -10.907 -3.963 1.00 0.00 C ATOM 757 O GLY A 790 4.698 -11.680 -3.046 1.00 0.00 O ATOM 0 H GLY A 790 2.459 -10.041 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.217 -12.231 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.788 -11.882 -5.832 1.00 0.00 H new ATOM 761 N MET A 791 4.510 -9.586 -3.849 1.00 0.00 N ATOM 762 CA MET A 791 4.953 -8.955 -2.612 1.00 0.00 C ATOM 763 C MET A 791 3.814 -8.180 -1.958 1.00 0.00 C ATOM 764 O MET A 791 2.810 -7.872 -2.602 1.00 0.00 O ATOM 765 CB MET A 791 6.131 -8.018 -2.886 1.00 0.00 C ATOM 766 CG MET A 791 7.475 -8.727 -2.927 1.00 0.00 C ATOM 767 SD MET A 791 8.784 -7.697 -3.618 1.00 0.00 S ATOM 768 CE MET A 791 8.209 -7.506 -5.303 1.00 0.00 C ATOM 0 H MET A 791 4.284 -8.932 -4.598 1.00 0.00 H new ATOM 0 HA MET A 791 5.274 -9.741 -1.928 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.968 -7.511 -3.837 1.00 0.00 H new ATOM 0 HB3 MET A 791 6.159 -7.248 -2.115 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.752 -9.031 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.383 -9.637 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.055 -7.284 -5.953 1.00 0.00 H new ATOM 0 HE2 MET A 791 7.732 -8.429 -5.631 1.00 0.00 H new ATOM 0 HE3 MET A 791 7.490 -6.689 -5.351 1.00 0.00 H new ATOM 778 N ARG A 792 3.975 -7.867 -0.677 1.00 0.00 N ATOM 779 CA ARG A 792 2.959 -7.130 0.064 1.00 0.00 C ATOM 780 C ARG A 792 3.599 -6.228 1.115 1.00 0.00 C ATOM 781 O ARG A 792 4.534 -6.630 1.806 1.00 0.00 O ATOM 782 CB ARG A 792 1.982 -8.098 0.734 1.00 0.00 C ATOM 783 CG ARG A 792 1.367 -9.103 -0.226 1.00 0.00 C ATOM 784 CD ARG A 792 0.599 -10.185 0.518 1.00 0.00 C ATOM 785 NE ARG A 792 1.485 -11.211 1.061 1.00 0.00 N ATOM 786 CZ ARG A 792 1.074 -12.421 1.423 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.204 -12.755 1.300 1.00 0.00 N ATOM 788 NH2 ARG A 792 1.941 -13.300 1.908 1.00 0.00 N ATOM 0 H ARG A 792 4.800 -8.113 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 792 2.413 -6.505 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.503 -8.636 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.184 -7.526 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.697 -8.588 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 792 2.152 -9.561 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 792 0.029 -9.732 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.121 -10.648 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 792 2.474 -10.986 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -0.873 -12.082 0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -0.517 -13.685 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 792 2.925 -13.047 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 792 1.624 -14.229 2.186 1.00 0.00 H new ATOM 802 N GLY A 793 3.089 -5.005 1.229 1.00 0.00 N ATOM 803 CA GLY A 793 3.624 -4.065 2.197 1.00 0.00 C ATOM 804 C GLY A 793 3.017 -2.683 2.059 1.00 0.00 C ATOM 805 O GLY A 793 1.990 -2.510 1.402 1.00 0.00 O ATOM 0 H GLY A 793 2.315 -4.649 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.440 -4.440 3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.705 -3.998 2.075 1.00 0.00 H new ATOM 809 N LEU A 794 3.652 -1.696 2.681 1.00 0.00 N ATOM 810 CA LEU A 794 3.168 -0.321 2.627 1.00 0.00 C ATOM 811 C LEU A 794 3.606 0.360 1.334 1.00 0.00 C ATOM 812 O LEU A 794 4.441 -0.165 0.597 1.00 0.00 O ATOM 813 CB LEU A 794 3.680 0.470 3.832 1.00 0.00 C ATOM 814 CG LEU A 794 3.267 -0.059 5.206 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.331 0.263 6.244 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.923 0.522 5.619 1.00 0.00 C ATOM 0 H LEU A 794 4.503 -1.822 3.229 1.00 0.00 H new ATOM 0 HA LEU A 794 2.079 -0.345 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.769 0.497 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.331 1.499 3.741 1.00 0.00 H new ATOM 0 HG LEU A 794 3.168 -1.143 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.020 -0.121 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.274 -0.202 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.463 1.343 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.645 0.135 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 794 1.995 1.609 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.165 0.240 4.889 1.00 0.00 H new ATOM 828 N ILE A 795 3.039 1.532 1.067 1.00 0.00 N ATOM 829 CA ILE A 795 3.375 2.286 -0.135 1.00 0.00 C ATOM 830 C ILE A 795 3.557 3.767 0.179 1.00 0.00 C ATOM 831 O ILE A 795 2.739 4.389 0.858 1.00 0.00 O ATOM 832 CB ILE A 795 2.290 2.131 -1.217 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.379 0.748 -1.865 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.430 3.224 -2.267 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.115 0.337 -2.587 1.00 0.00 C ATOM 0 H ILE A 795 2.345 1.980 1.666 1.00 0.00 H new ATOM 0 HA ILE A 795 4.313 1.879 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 795 1.312 2.229 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.210 0.739 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.605 0.009 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.656 3.101 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.322 4.200 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.412 3.155 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.250 -0.653 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.284 0.313 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 795 0.899 1.054 -3.379 1.00 0.00 H new ATOM 847 N PRO A 796 4.654 4.349 -0.329 1.00 0.00 N ATOM 848 CA PRO A 796 4.968 5.765 -0.118 1.00 0.00 C ATOM 849 C PRO A 796 4.013 6.688 -0.867 1.00 0.00 C ATOM 850 O PRO A 796 3.893 6.615 -2.090 1.00 0.00 O ATOM 851 CB PRO A 796 6.388 5.900 -0.675 1.00 0.00 C ATOM 852 CG PRO A 796 6.509 4.801 -1.674 1.00 0.00 C ATOM 853 CD PRO A 796 5.671 3.669 -1.148 1.00 0.00 C ATOM 0 HA PRO A 796 4.877 6.051 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.541 6.875 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.134 5.802 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.158 5.124 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.548 4.495 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.218 3.095 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.264 2.972 -0.556 1.00 0.00 H new ATOM 861 N HIS A 797 3.334 7.558 -0.125 1.00 0.00 N ATOM 862 CA HIS A 797 2.390 8.497 -0.719 1.00 0.00 C ATOM 863 C HIS A 797 3.124 9.622 -1.443 1.00 0.00 C ATOM 864 O HIS A 797 2.504 10.473 -2.080 1.00 0.00 O ATOM 865 CB HIS A 797 1.473 9.080 0.356 1.00 0.00 C ATOM 866 CG HIS A 797 0.641 10.229 -0.125 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.657 10.085 -0.568 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.928 11.547 -0.229 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.132 11.264 -0.926 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.190 12.169 -0.729 1.00 0.00 N ATOM 0 H HIS A 797 3.420 7.632 0.889 1.00 0.00 H new ATOM 0 HA HIS A 797 1.786 7.955 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.814 8.294 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.079 9.409 1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.862 12.022 0.032 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.122 11.456 -1.314 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.278 13.168 -0.918 1.00 0.00 H new ATOM 878 N LYS A 798 4.449 9.619 -1.339 1.00 0.00 N ATOM 879 CA LYS A 798 5.269 10.638 -1.983 1.00 0.00 C ATOM 880 C LYS A 798 5.771 10.155 -3.340 1.00 0.00 C ATOM 881 O LYS A 798 6.006 10.954 -4.246 1.00 0.00 O ATOM 882 CB LYS A 798 6.456 11.007 -1.090 1.00 0.00 C ATOM 883 CG LYS A 798 7.324 12.115 -1.659 1.00 0.00 C ATOM 884 CD LYS A 798 7.978 12.933 -0.557 1.00 0.00 C ATOM 885 CE LYS A 798 9.174 12.208 0.040 1.00 0.00 C ATOM 886 NZ LYS A 798 9.525 12.735 1.388 1.00 0.00 N ATOM 0 H LYS A 798 4.978 8.922 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 798 4.650 11.522 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.083 11.315 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 798 7.070 10.121 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.094 11.683 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.717 12.768 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.297 13.895 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 798 7.248 13.140 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.954 11.143 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 798 10.031 12.312 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 10.345 12.215 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 9.759 13.746 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.716 12.613 2.030 1.00 0.00 H new ATOM 900 N TYR A 799 5.932 8.843 -3.473 1.00 0.00 N ATOM 901 CA TYR A 799 6.407 8.254 -4.719 1.00 0.00 C ATOM 902 C TYR A 799 5.260 7.600 -5.485 1.00 0.00 C ATOM 903 O TYR A 799 5.466 6.648 -6.238 1.00 0.00 O ATOM 904 CB TYR A 799 7.500 7.222 -4.436 1.00 0.00 C ATOM 905 CG TYR A 799 8.766 7.822 -3.867 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.764 8.451 -2.628 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.964 7.760 -4.568 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.917 9.001 -2.104 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.123 8.305 -4.051 1.00 0.00 C ATOM 910 CZ TYR A 799 11.095 8.925 -2.819 1.00 0.00 C ATOM 911 OH TYR A 799 12.247 9.471 -2.301 1.00 0.00 O ATOM 0 H TYR A 799 5.740 8.167 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 799 6.822 9.053 -5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.114 6.479 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.740 6.697 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.844 8.511 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.989 7.277 -5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.897 9.488 -1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.046 8.246 -4.608 1.00 0.00 H new ATOM 0 HH TYR A 799 12.986 9.331 -2.929 1.00 0.00 H new ATOM 921 N ILE A 800 4.053 8.119 -5.285 1.00 0.00 N ATOM 922 CA ILE A 800 2.874 7.587 -5.957 1.00 0.00 C ATOM 923 C ILE A 800 1.846 8.684 -6.212 1.00 0.00 C ATOM 924 O ILE A 800 1.587 9.522 -5.348 1.00 0.00 O ATOM 925 CB ILE A 800 2.216 6.464 -5.135 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.710 7.010 -3.798 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.200 5.326 -4.910 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.297 7.545 -3.860 1.00 0.00 C ATOM 0 H ILE A 800 3.866 8.906 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 800 3.211 7.179 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 800 1.364 6.077 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.758 6.219 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.377 7.805 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.720 4.540 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.516 4.923 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.070 5.699 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.005 7.915 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.247 8.359 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.381 6.747 -4.164 1.00 0.00 H new ATOM 940 N THR A 801 1.260 8.672 -7.406 1.00 0.00 N ATOM 941 CA THR A 801 0.259 9.665 -7.775 1.00 0.00 C ATOM 942 C THR A 801 -1.132 9.044 -7.846 1.00 0.00 C ATOM 943 O THR A 801 -1.463 8.346 -8.805 1.00 0.00 O ATOM 944 CB THR A 801 0.588 10.316 -9.132 1.00 0.00 C ATOM 945 OG1 THR A 801 1.806 11.062 -9.035 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.540 11.233 -9.580 1.00 0.00 C ATOM 0 H THR A 801 1.462 7.986 -8.133 1.00 0.00 H new ATOM 0 HA THR A 801 0.273 10.431 -7.000 1.00 0.00 H new ATOM 0 HB THR A 801 0.706 9.524 -9.871 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.009 11.471 -9.902 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.285 11.681 -10.540 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.459 10.656 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.685 12.020 -8.840 1.00 0.00 H new ATOM 954 N LEU A 802 -1.942 9.302 -6.826 1.00 0.00 N ATOM 955 CA LEU A 802 -3.299 8.769 -6.772 1.00 0.00 C ATOM 956 C LEU A 802 -4.076 9.130 -8.034 1.00 0.00 C ATOM 957 O LEU A 802 -3.822 10.147 -8.680 1.00 0.00 O ATOM 958 CB LEU A 802 -4.030 9.303 -5.539 1.00 0.00 C ATOM 959 CG LEU A 802 -3.445 8.899 -4.185 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.075 9.715 -3.067 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.647 7.411 -3.940 1.00 0.00 C ATOM 0 H LEU A 802 -1.683 9.877 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.234 7.683 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.047 10.391 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.065 8.965 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.374 9.103 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.647 9.414 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.879 10.774 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.151 9.543 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.225 7.141 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.713 7.182 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.148 6.842 -4.725 1.00 0.00 H new ATOM 973 N PRO A 803 -5.048 8.279 -8.395 1.00 0.00 N ATOM 974 CA PRO A 803 -5.884 8.489 -9.581 1.00 0.00 C ATOM 975 C PRO A 803 -6.840 9.664 -9.415 1.00 0.00 C ATOM 976 O PRO A 803 -7.021 10.179 -8.312 1.00 0.00 O ATOM 977 CB PRO A 803 -6.664 7.177 -9.701 1.00 0.00 C ATOM 978 CG PRO A 803 -6.699 6.629 -8.316 1.00 0.00 C ATOM 979 CD PRO A 803 -5.406 7.046 -7.673 1.00 0.00 C ATOM 0 HA PRO A 803 -5.289 8.729 -10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.670 7.348 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.174 6.487 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.553 7.020 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -6.796 5.543 -8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.528 7.227 -6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.638 6.280 -7.781 1.00 0.00 H new ATOM 987 N ALA A 804 -7.451 10.084 -10.518 1.00 0.00 N ATOM 988 CA ALA A 804 -8.391 11.198 -10.494 1.00 0.00 C ATOM 989 C ALA A 804 -9.510 10.950 -9.488 1.00 0.00 C ATOM 990 O ALA A 804 -10.355 10.078 -9.686 1.00 0.00 O ATOM 991 CB ALA A 804 -8.969 11.431 -11.882 1.00 0.00 C ATOM 0 H ALA A 804 -7.312 9.669 -11.440 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.850 12.091 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -9.669 12.266 -11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -8.162 11.661 -12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -9.490 10.533 -12.215 1.00 0.00 H new ATOM 997 N GLY A 805 -9.510 11.723 -8.406 1.00 0.00 N ATOM 998 CA GLY A 805 -10.529 11.571 -7.385 1.00 0.00 C ATOM 999 C GLY A 805 -10.076 12.083 -6.032 1.00 0.00 C ATOM 1000 O GLY A 805 -10.642 13.037 -5.498 1.00 0.00 O ATOM 0 H GLY A 805 -8.822 12.452 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -11.428 12.107 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -10.799 10.518 -7.300 1.00 0.00 H new ATOM 1004 N THR A 806 -9.051 11.446 -5.473 1.00 0.00 N ATOM 1005 CA THR A 806 -8.524 11.840 -4.173 1.00 0.00 C ATOM 1006 C THR A 806 -8.366 13.353 -4.079 1.00 0.00 C ATOM 1007 O THR A 806 -8.923 13.990 -3.186 1.00 0.00 O ATOM 1008 CB THR A 806 -7.163 11.175 -3.893 1.00 0.00 C ATOM 1009 OG1 THR A 806 -6.275 11.395 -4.995 1.00 0.00 O ATOM 1010 CG2 THR A 806 -7.328 9.681 -3.659 1.00 0.00 C ATOM 0 H THR A 806 -8.570 10.655 -5.901 1.00 0.00 H new ATOM 0 HA THR A 806 -9.244 11.505 -3.426 1.00 0.00 H new ATOM 0 HB THR A 806 -6.743 11.623 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 806 -5.484 11.883 -4.685 1.00 0.00 H new ATOM 0 HG21 THR A 806 -6.354 9.234 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 806 -7.981 9.517 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 806 -7.768 9.221 -4.544 1.00 0.00 H new ATOM 1018 N GLU A 807 -7.603 13.923 -5.008 1.00 0.00 N ATOM 1019 CA GLU A 807 -7.373 15.362 -5.028 1.00 0.00 C ATOM 1020 C GLU A 807 -8.586 16.100 -5.587 1.00 0.00 C ATOM 1021 O GLU A 807 -8.748 16.224 -6.801 1.00 0.00 O ATOM 1022 CB GLU A 807 -6.134 15.691 -5.864 1.00 0.00 C ATOM 1023 CG GLU A 807 -5.423 16.960 -5.426 1.00 0.00 C ATOM 1024 CD GLU A 807 -6.140 18.217 -5.880 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -6.273 18.414 -7.106 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -6.569 19.003 -5.010 1.00 0.00 O ATOM 0 H GLU A 807 -7.135 13.410 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 807 -7.210 15.692 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -5.436 14.856 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -6.427 15.791 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -5.337 16.967 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -4.409 16.960 -5.826 1.00 0.00 H new ATOM 1033 N LYS A 808 -9.439 16.587 -4.691 1.00 0.00 N ATOM 1034 CA LYS A 808 -10.638 17.312 -5.091 1.00 0.00 C ATOM 1035 C LYS A 808 -10.689 18.686 -4.430 1.00 0.00 C ATOM 1036 O LYS A 808 -10.773 18.792 -3.207 1.00 0.00 O ATOM 1037 CB LYS A 808 -11.890 16.511 -4.726 1.00 0.00 C ATOM 1038 CG LYS A 808 -13.188 17.235 -5.037 1.00 0.00 C ATOM 1039 CD LYS A 808 -13.437 17.314 -6.534 1.00 0.00 C ATOM 1040 CE LYS A 808 -14.660 18.162 -6.852 1.00 0.00 C ATOM 1041 NZ LYS A 808 -15.905 17.573 -6.286 1.00 0.00 N ATOM 0 H LYS A 808 -9.321 16.492 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 808 -10.605 17.449 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -11.874 15.563 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -11.862 16.274 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -14.018 16.718 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -13.154 18.241 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -12.562 17.736 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -13.575 16.310 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -14.519 19.166 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -14.763 18.260 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -16.728 18.112 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -15.991 16.583 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -15.866 17.612 -5.247 1.00 0.00 H new ATOM 1055 N GLN A 809 -10.640 19.733 -5.246 1.00 0.00 N ATOM 1056 CA GLN A 809 -10.682 21.099 -4.739 1.00 0.00 C ATOM 1057 C GLN A 809 -12.102 21.655 -4.786 1.00 0.00 C ATOM 1058 O GLN A 809 -12.621 21.970 -5.857 1.00 0.00 O ATOM 1059 CB GLN A 809 -9.744 21.996 -5.550 1.00 0.00 C ATOM 1060 CG GLN A 809 -9.297 23.242 -4.802 1.00 0.00 C ATOM 1061 CD GLN A 809 -10.421 23.886 -4.016 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -10.613 23.597 -2.834 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -11.173 24.765 -4.669 1.00 0.00 N ATOM 0 H GLN A 809 -10.571 19.662 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 809 -10.352 21.084 -3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -8.865 21.421 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -10.246 22.295 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -8.486 22.981 -4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -8.896 23.964 -5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -10.979 24.975 -5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -11.945 25.230 -4.191 1.00 0.00 H new ATOM 1072 N VAL A 810 -12.725 21.771 -3.618 1.00 0.00 N ATOM 1073 CA VAL A 810 -14.085 22.288 -3.525 1.00 0.00 C ATOM 1074 C VAL A 810 -14.097 23.812 -3.565 1.00 0.00 C ATOM 1075 O VAL A 810 -13.869 24.473 -2.551 1.00 0.00 O ATOM 1076 CB VAL A 810 -14.780 21.814 -2.235 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -16.264 22.142 -2.276 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -14.560 20.323 -2.030 1.00 0.00 C ATOM 0 H VAL A 810 -12.310 21.514 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 810 -14.630 21.900 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 810 -14.340 22.343 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -16.738 21.799 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -16.396 23.220 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -16.724 21.642 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -15.058 20.004 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -14.973 19.775 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -13.492 20.120 -1.952 1.00 0.00 H new ATOM 1088 N VAL A 811 -14.364 24.366 -4.744 1.00 0.00 N ATOM 1089 CA VAL A 811 -14.407 25.813 -4.916 1.00 0.00 C ATOM 1090 C VAL A 811 -15.029 26.493 -3.701 1.00 0.00 C ATOM 1091 O VAL A 811 -14.674 27.620 -3.358 1.00 0.00 O ATOM 1092 CB VAL A 811 -15.206 26.205 -6.174 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -16.609 25.622 -6.119 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -15.253 27.718 -6.324 1.00 0.00 C ATOM 0 H VAL A 811 -14.554 23.834 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 811 -13.376 26.149 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 811 -14.702 25.792 -7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -17.158 25.910 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -16.549 24.535 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -17.127 26.003 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -15.821 27.978 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -15.733 28.156 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -14.239 28.106 -6.413 1.00 0.00 H new ATOM 1104 N GLY A 812 -15.959 25.799 -3.052 1.00 0.00 N ATOM 1105 CA GLY A 812 -16.615 26.352 -1.882 1.00 0.00 C ATOM 1106 C GLY A 812 -18.125 26.370 -2.018 1.00 0.00 C ATOM 1107 O GLY A 812 -18.833 25.736 -1.236 1.00 0.00 O ATOM 0 H GLY A 812 -16.270 24.864 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -16.339 25.767 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -16.256 27.367 -1.714 1.00 0.00 H new ATOM 1111 N ALA A 813 -18.619 27.100 -3.012 1.00 0.00 N ATOM 1112 CA ALA A 813 -20.054 27.199 -3.248 1.00 0.00 C ATOM 1113 C ALA A 813 -20.803 27.497 -1.954 1.00 0.00 C ATOM 1114 O ALA A 813 -21.859 26.923 -1.691 1.00 0.00 O ATOM 1115 CB ALA A 813 -20.574 25.915 -3.878 1.00 0.00 C ATOM 0 H ALA A 813 -18.046 27.632 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 813 -20.229 28.026 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 813 -21.647 26.002 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 813 -20.068 25.745 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 813 -20.380 25.077 -3.209 1.00 0.00 H new ATOM 1121 N GLY A 814 -20.250 28.398 -1.148 1.00 0.00 N ATOM 1122 CA GLY A 814 -20.880 28.755 0.109 1.00 0.00 C ATOM 1123 C GLY A 814 -22.380 28.924 -0.021 1.00 0.00 C ATOM 1124 O GLY A 814 -22.961 29.841 0.560 1.00 0.00 O ATOM 0 H GLY A 814 -19.377 28.887 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -20.667 27.984 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -20.444 29.683 0.480 1.00 0.00 H new TER 1128 GLY A 814