USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 740 SER OG : rot 180:sc= 0 USER MOD Single : A 741 SER OG : rot 180:sc= 0 USER MOD Single : A 743 SER OG : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 754 CYS SG : rot -102:sc= 1.12 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 -55:sc= 0.374 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 766 SER OG : rot 180:sc= -0.225 USER MOD Single : A 776 HIS : no HD1:sc= -2.98! K(o=-3!,f=-1.2) USER MOD Single : A 780 SER OG : rot 180:sc= 0.122 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HD1:sc= -3.24 X(o=-3.2,f=-3) USER MOD Single : A 789 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.4) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-6.5!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -13.556 20.361 14.954 1.00 0.00 N ATOM 2 CA GLY A 739 -13.841 18.952 14.755 1.00 0.00 C ATOM 3 C GLY A 739 -12.895 18.304 13.763 1.00 0.00 C ATOM 4 O GLY A 739 -11.863 18.877 13.413 1.00 0.00 O ATOM 0 HA2 GLY A 739 -13.773 18.432 15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -14.866 18.838 14.403 1.00 0.00 H new ATOM 8 N SER A 740 -13.246 17.104 13.311 1.00 0.00 N ATOM 9 CA SER A 740 -12.417 16.374 12.358 1.00 0.00 C ATOM 10 C SER A 740 -13.233 15.307 11.635 1.00 0.00 C ATOM 11 O SER A 740 -14.292 14.894 12.107 1.00 0.00 O ATOM 12 CB SER A 740 -11.229 15.728 13.072 1.00 0.00 C ATOM 13 OG SER A 740 -10.157 15.498 12.175 1.00 0.00 O ATOM 0 H SER A 740 -14.098 16.617 13.589 1.00 0.00 H new ATOM 0 HA SER A 740 -12.044 17.084 11.620 1.00 0.00 H new ATOM 0 HB2 SER A 740 -10.895 16.373 13.885 1.00 0.00 H new ATOM 0 HB3 SER A 740 -11.540 14.785 13.521 1.00 0.00 H new ATOM 0 HG SER A 740 -9.410 15.086 12.657 1.00 0.00 H new ATOM 19 N SER A 741 -12.731 14.863 10.487 1.00 0.00 N ATOM 20 CA SER A 741 -13.413 13.846 9.696 1.00 0.00 C ATOM 21 C SER A 741 -12.409 12.984 8.937 1.00 0.00 C ATOM 22 O SER A 741 -11.319 13.438 8.593 1.00 0.00 O ATOM 23 CB SER A 741 -14.386 14.502 8.713 1.00 0.00 C ATOM 24 OG SER A 741 -15.456 13.629 8.396 1.00 0.00 O ATOM 0 H SER A 741 -11.854 15.192 10.084 1.00 0.00 H new ATOM 0 HA SER A 741 -13.973 13.205 10.378 1.00 0.00 H new ATOM 0 HB2 SER A 741 -14.779 15.422 9.145 1.00 0.00 H new ATOM 0 HB3 SER A 741 -13.856 14.779 7.802 1.00 0.00 H new ATOM 0 HG SER A 741 -16.064 14.072 7.768 1.00 0.00 H new ATOM 30 N GLY A 742 -12.787 11.735 8.679 1.00 0.00 N ATOM 31 CA GLY A 742 -11.909 10.828 7.963 1.00 0.00 C ATOM 32 C GLY A 742 -12.554 10.264 6.712 1.00 0.00 C ATOM 33 O GLY A 742 -13.034 9.131 6.710 1.00 0.00 O ATOM 0 H GLY A 742 -13.685 11.336 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -10.993 11.353 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -11.623 10.008 8.622 1.00 0.00 H new ATOM 37 N SER A 743 -12.568 11.058 5.646 1.00 0.00 N ATOM 38 CA SER A 743 -13.164 10.634 4.384 1.00 0.00 C ATOM 39 C SER A 743 -12.862 9.164 4.108 1.00 0.00 C ATOM 40 O SER A 743 -11.721 8.719 4.235 1.00 0.00 O ATOM 41 CB SER A 743 -12.644 11.498 3.234 1.00 0.00 C ATOM 42 OG SER A 743 -13.201 12.800 3.283 1.00 0.00 O ATOM 0 H SER A 743 -12.173 11.998 5.631 1.00 0.00 H new ATOM 0 HA SER A 743 -14.244 10.757 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 743 -11.557 11.562 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 743 -12.891 11.029 2.282 1.00 0.00 H new ATOM 0 HG SER A 743 -12.852 13.333 2.539 1.00 0.00 H new ATOM 48 N SER A 744 -13.893 8.416 3.729 1.00 0.00 N ATOM 49 CA SER A 744 -13.740 6.995 3.438 1.00 0.00 C ATOM 50 C SER A 744 -14.442 6.629 2.134 1.00 0.00 C ATOM 51 O SER A 744 -15.554 7.082 1.865 1.00 0.00 O ATOM 52 CB SER A 744 -14.303 6.154 4.586 1.00 0.00 C ATOM 53 OG SER A 744 -14.287 4.775 4.263 1.00 0.00 O ATOM 0 H SER A 744 -14.843 8.770 3.616 1.00 0.00 H new ATOM 0 HA SER A 744 -12.676 6.784 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 744 -13.717 6.326 5.489 1.00 0.00 H new ATOM 0 HB3 SER A 744 -15.324 6.468 4.804 1.00 0.00 H new ATOM 0 HG SER A 744 -14.650 4.259 5.013 1.00 0.00 H new ATOM 59 N GLY A 745 -13.782 5.805 1.325 1.00 0.00 N ATOM 60 CA GLY A 745 -14.356 5.392 0.058 1.00 0.00 C ATOM 61 C GLY A 745 -14.722 3.921 0.040 1.00 0.00 C ATOM 62 O GLY A 745 -14.607 3.234 1.054 1.00 0.00 O ATOM 0 H GLY A 745 -12.860 5.416 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -15.246 5.987 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -13.646 5.596 -0.743 1.00 0.00 H new ATOM 66 N GLU A 746 -15.167 3.438 -1.116 1.00 0.00 N ATOM 67 CA GLU A 746 -15.553 2.039 -1.260 1.00 0.00 C ATOM 68 C GLU A 746 -14.847 1.400 -2.453 1.00 0.00 C ATOM 69 O GLU A 746 -15.100 1.757 -3.602 1.00 0.00 O ATOM 70 CB GLU A 746 -17.070 1.921 -1.428 1.00 0.00 C ATOM 71 CG GLU A 746 -17.535 0.519 -1.782 1.00 0.00 C ATOM 72 CD GLU A 746 -17.492 -0.427 -0.597 1.00 0.00 C ATOM 73 OE1 GLU A 746 -18.359 -0.304 0.293 1.00 0.00 O ATOM 74 OE2 GLU A 746 -16.590 -1.290 -0.561 1.00 0.00 O ATOM 0 H GLU A 746 -15.269 3.994 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 746 -15.252 1.510 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -17.555 2.233 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -17.396 2.610 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -18.553 0.565 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -16.908 0.123 -2.581 1.00 0.00 H new ATOM 81 N GLY A 747 -13.960 0.451 -2.168 1.00 0.00 N ATOM 82 CA GLY A 747 -13.230 -0.223 -3.226 1.00 0.00 C ATOM 83 C GLY A 747 -11.737 0.027 -3.151 1.00 0.00 C ATOM 84 O GLY A 747 -11.269 0.784 -2.300 1.00 0.00 O ATOM 0 H GLY A 747 -13.734 0.137 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.419 -1.295 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.604 0.114 -4.193 1.00 0.00 H new ATOM 88 N VAL A 748 -10.986 -0.611 -4.043 1.00 0.00 N ATOM 89 CA VAL A 748 -9.536 -0.454 -4.074 1.00 0.00 C ATOM 90 C VAL A 748 -9.119 0.599 -5.094 1.00 0.00 C ATOM 91 O VAL A 748 -9.591 0.599 -6.231 1.00 0.00 O ATOM 92 CB VAL A 748 -8.835 -1.784 -4.409 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.328 -1.590 -4.480 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.196 -2.849 -3.384 1.00 0.00 C ATOM 0 H VAL A 748 -11.357 -1.241 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.231 -0.132 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 748 -9.180 -2.121 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -6.850 -2.540 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.091 -0.861 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -6.962 -1.230 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -8.692 -3.782 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -8.880 -2.522 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.275 -3.007 -3.388 1.00 0.00 H new ATOM 104 N VAL A 749 -8.231 1.497 -4.680 1.00 0.00 N ATOM 105 CA VAL A 749 -7.748 2.556 -5.558 1.00 0.00 C ATOM 106 C VAL A 749 -6.402 2.188 -6.173 1.00 0.00 C ATOM 107 O VAL A 749 -5.535 1.628 -5.504 1.00 0.00 O ATOM 108 CB VAL A 749 -7.608 3.891 -4.803 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.092 4.979 -5.733 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.937 4.294 -4.183 1.00 0.00 C ATOM 0 H VAL A 749 -7.831 1.512 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.487 2.672 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.883 3.760 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.000 5.915 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.117 4.690 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.790 5.112 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.820 5.239 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.685 4.408 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.260 3.524 -3.483 1.00 0.00 H new ATOM 120 N GLU A 750 -6.235 2.509 -7.452 1.00 0.00 N ATOM 121 CA GLU A 750 -4.993 2.213 -8.158 1.00 0.00 C ATOM 122 C GLU A 750 -4.116 3.457 -8.262 1.00 0.00 C ATOM 123 O GLU A 750 -4.535 4.482 -8.798 1.00 0.00 O ATOM 124 CB GLU A 750 -5.293 1.668 -9.556 1.00 0.00 C ATOM 125 CG GLU A 750 -5.640 0.189 -9.571 1.00 0.00 C ATOM 126 CD GLU A 750 -6.430 -0.212 -10.802 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.668 -0.047 -10.793 1.00 0.00 O ATOM 128 OE2 GLU A 750 -5.810 -0.692 -11.774 1.00 0.00 O ATOM 0 H GLU A 750 -6.943 2.974 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.453 1.456 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.121 2.231 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.427 1.836 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.722 -0.396 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.217 -0.054 -8.679 1.00 0.00 H new ATOM 135 N ALA A 751 -2.896 3.358 -7.744 1.00 0.00 N ATOM 136 CA ALA A 751 -1.959 4.474 -7.780 1.00 0.00 C ATOM 137 C ALA A 751 -0.743 4.142 -8.639 1.00 0.00 C ATOM 138 O ALA A 751 -0.291 2.998 -8.678 1.00 0.00 O ATOM 139 CB ALA A 751 -1.525 4.844 -6.369 1.00 0.00 C ATOM 0 H ALA A 751 -2.534 2.517 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.466 5.328 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.825 5.679 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.398 5.131 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.040 3.987 -5.901 1.00 0.00 H new ATOM 145 N VAL A 752 -0.218 5.151 -9.327 1.00 0.00 N ATOM 146 CA VAL A 752 0.946 4.966 -10.186 1.00 0.00 C ATOM 147 C VAL A 752 2.222 5.424 -9.488 1.00 0.00 C ATOM 148 O VAL A 752 2.268 6.505 -8.903 1.00 0.00 O ATOM 149 CB VAL A 752 0.794 5.737 -11.511 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.036 5.570 -12.372 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.448 5.273 -12.257 1.00 0.00 C ATOM 0 H VAL A 752 -0.580 6.104 -9.306 1.00 0.00 H new ATOM 0 HA VAL A 752 1.015 3.900 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 752 0.679 6.797 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.910 6.122 -13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.904 5.955 -11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.186 4.513 -12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.540 5.828 -13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.365 4.208 -12.474 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.330 5.450 -11.641 1.00 0.00 H new ATOM 161 N ALA A 753 3.257 4.593 -9.555 1.00 0.00 N ATOM 162 CA ALA A 753 4.535 4.913 -8.932 1.00 0.00 C ATOM 163 C ALA A 753 5.186 6.118 -9.603 1.00 0.00 C ATOM 164 O ALA A 753 5.658 6.029 -10.737 1.00 0.00 O ATOM 165 CB ALA A 753 5.465 3.710 -8.986 1.00 0.00 C ATOM 0 H ALA A 753 3.235 3.693 -10.035 1.00 0.00 H new ATOM 0 HA ALA A 753 4.349 5.167 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.416 3.964 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.010 2.874 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.637 3.429 -10.025 1.00 0.00 H new ATOM 171 N CYS A 754 5.208 7.242 -8.896 1.00 0.00 N ATOM 172 CA CYS A 754 5.800 8.466 -9.424 1.00 0.00 C ATOM 173 C CYS A 754 7.300 8.294 -9.640 1.00 0.00 C ATOM 174 O CYS A 754 7.848 8.737 -10.651 1.00 0.00 O ATOM 175 CB CYS A 754 5.540 9.635 -8.473 1.00 0.00 C ATOM 176 SG CYS A 754 5.480 11.249 -9.287 1.00 0.00 S ATOM 0 H CYS A 754 4.823 7.331 -7.956 1.00 0.00 H new ATOM 0 HA CYS A 754 5.334 8.680 -10.386 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.596 9.466 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.321 9.652 -7.713 1.00 0.00 H new ATOM 0 HG CYS A 754 6.598 11.880 -9.083 1.00 0.00 H new ATOM 182 N PHE A 755 7.961 7.651 -8.683 1.00 0.00 N ATOM 183 CA PHE A 755 9.399 7.423 -8.767 1.00 0.00 C ATOM 184 C PHE A 755 9.761 6.035 -8.247 1.00 0.00 C ATOM 185 O PHE A 755 9.158 5.541 -7.294 1.00 0.00 O ATOM 186 CB PHE A 755 10.153 8.491 -7.972 1.00 0.00 C ATOM 187 CG PHE A 755 9.869 9.893 -8.432 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.581 10.449 -9.482 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.889 10.653 -7.814 1.00 0.00 C ATOM 190 CE1 PHE A 755 10.322 11.739 -9.906 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.625 11.943 -8.233 1.00 0.00 C ATOM 192 CZ PHE A 755 9.342 12.486 -9.282 1.00 0.00 C ATOM 0 H PHE A 755 7.524 7.279 -7.840 1.00 0.00 H new ATOM 0 HA PHE A 755 9.691 7.486 -9.815 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.889 8.402 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.224 8.302 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 755 11.347 9.868 -9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.325 10.232 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.885 12.162 -10.724 1.00 0.00 H new ATOM 0 HE2 PHE A 755 7.860 12.526 -7.742 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.136 13.493 -9.614 1.00 0.00 H new ATOM 202 N ALA A 756 10.750 5.412 -8.879 1.00 0.00 N ATOM 203 CA ALA A 756 11.194 4.082 -8.480 1.00 0.00 C ATOM 204 C ALA A 756 11.618 4.062 -7.016 1.00 0.00 C ATOM 205 O ALA A 756 12.530 4.784 -6.613 1.00 0.00 O ATOM 206 CB ALA A 756 12.338 3.619 -9.370 1.00 0.00 C ATOM 0 H ALA A 756 11.259 5.807 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 756 10.356 3.395 -8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.660 2.624 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.002 3.586 -10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.173 4.314 -9.281 1.00 0.00 H new ATOM 212 N TYR A 757 10.951 3.231 -6.223 1.00 0.00 N ATOM 213 CA TYR A 757 11.257 3.119 -4.802 1.00 0.00 C ATOM 214 C TYR A 757 11.732 1.711 -4.456 1.00 0.00 C ATOM 215 O TYR A 757 11.334 0.734 -5.091 1.00 0.00 O ATOM 216 CB TYR A 757 10.027 3.473 -3.964 1.00 0.00 C ATOM 217 CG TYR A 757 10.339 3.722 -2.506 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.371 2.675 -1.593 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.602 5.005 -2.041 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.654 2.898 -0.260 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.888 5.237 -0.709 1.00 0.00 C ATOM 222 CZ TYR A 757 10.913 4.181 0.177 1.00 0.00 C ATOM 223 OH TYR A 757 11.197 4.407 1.504 1.00 0.00 O ATOM 0 H TYR A 757 10.195 2.625 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 757 12.059 3.821 -4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.556 4.362 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.302 2.663 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.171 1.669 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.583 5.835 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.673 2.073 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 757 11.091 6.240 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 757 11.356 5.363 1.646 1.00 0.00 H new ATOM 233 N THR A 758 12.589 1.614 -3.444 1.00 0.00 N ATOM 234 CA THR A 758 13.121 0.328 -3.012 1.00 0.00 C ATOM 235 C THR A 758 12.882 0.106 -1.523 1.00 0.00 C ATOM 236 O THR A 758 13.704 0.483 -0.690 1.00 0.00 O ATOM 237 CB THR A 758 14.630 0.219 -3.300 1.00 0.00 C ATOM 238 OG1 THR A 758 14.867 0.303 -4.710 1.00 0.00 O ATOM 239 CG2 THR A 758 15.190 -1.090 -2.764 1.00 0.00 C ATOM 0 H THR A 758 12.930 2.412 -2.908 1.00 0.00 H new ATOM 0 HA THR A 758 12.594 -0.439 -3.580 1.00 0.00 H new ATOM 0 HB THR A 758 15.134 1.045 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.829 0.235 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.257 -1.144 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.034 -1.138 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.680 -1.927 -3.242 1.00 0.00 H new ATOM 247 N GLY A 759 11.750 -0.510 -1.196 1.00 0.00 N ATOM 248 CA GLY A 759 11.423 -0.772 0.194 1.00 0.00 C ATOM 249 C GLY A 759 12.650 -1.083 1.029 1.00 0.00 C ATOM 250 O GLY A 759 13.471 -1.919 0.651 1.00 0.00 O ATOM 0 H GLY A 759 11.054 -0.832 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.912 0.094 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.728 -1.610 0.249 1.00 0.00 H new ATOM 254 N ARG A 760 12.776 -0.408 2.166 1.00 0.00 N ATOM 255 CA ARG A 760 13.912 -0.614 3.055 1.00 0.00 C ATOM 256 C ARG A 760 13.803 -1.954 3.776 1.00 0.00 C ATOM 257 O ARG A 760 14.782 -2.692 3.892 1.00 0.00 O ATOM 258 CB ARG A 760 14.001 0.521 4.077 1.00 0.00 C ATOM 259 CG ARG A 760 14.422 1.852 3.475 1.00 0.00 C ATOM 260 CD ARG A 760 15.932 1.940 3.319 1.00 0.00 C ATOM 261 NE ARG A 760 16.399 3.323 3.287 1.00 0.00 N ATOM 262 CZ ARG A 760 16.373 4.083 2.198 1.00 0.00 C ATOM 263 NH1 ARG A 760 15.904 3.596 1.058 1.00 0.00 N ATOM 264 NH2 ARG A 760 16.816 5.332 2.249 1.00 0.00 N ATOM 0 H ARG A 760 12.105 0.287 2.493 1.00 0.00 H new ATOM 0 HA ARG A 760 14.818 -0.620 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.031 0.641 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.712 0.243 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 760 13.947 1.979 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.073 2.666 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 760 16.413 1.414 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.232 1.435 2.401 1.00 0.00 H new ATOM 0 HE ARG A 760 16.765 3.728 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 760 15.562 2.636 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 760 15.885 4.181 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 760 17.177 5.710 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 760 16.796 5.915 1.412 1.00 0.00 H new ATOM 278 N THR A 761 12.604 -2.263 4.261 1.00 0.00 N ATOM 279 CA THR A 761 12.366 -3.513 4.972 1.00 0.00 C ATOM 280 C THR A 761 11.175 -4.261 4.385 1.00 0.00 C ATOM 281 O THR A 761 10.433 -3.721 3.565 1.00 0.00 O ATOM 282 CB THR A 761 12.115 -3.267 6.472 1.00 0.00 C ATOM 283 OG1 THR A 761 10.927 -2.487 6.648 1.00 0.00 O ATOM 284 CG2 THR A 761 13.297 -2.551 7.108 1.00 0.00 C ATOM 0 H THR A 761 11.783 -1.664 4.174 1.00 0.00 H new ATOM 0 HA THR A 761 13.265 -4.119 4.856 1.00 0.00 H new ATOM 0 HB THR A 761 11.990 -4.233 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.999 -1.659 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.097 -2.388 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.194 -3.161 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.448 -1.590 6.616 1.00 0.00 H new ATOM 292 N ALA A 762 10.997 -5.508 4.811 1.00 0.00 N ATOM 293 CA ALA A 762 9.893 -6.329 4.329 1.00 0.00 C ATOM 294 C ALA A 762 8.579 -5.556 4.359 1.00 0.00 C ATOM 295 O ALA A 762 7.790 -5.619 3.417 1.00 0.00 O ATOM 296 CB ALA A 762 9.780 -7.600 5.158 1.00 0.00 C ATOM 0 H ALA A 762 11.603 -5.971 5.488 1.00 0.00 H new ATOM 0 HA ALA A 762 10.100 -6.601 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.952 -8.204 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.707 -8.169 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.601 -7.339 6.201 1.00 0.00 H new ATOM 302 N GLN A 763 8.351 -4.828 5.448 1.00 0.00 N ATOM 303 CA GLN A 763 7.131 -4.044 5.601 1.00 0.00 C ATOM 304 C GLN A 763 6.881 -3.181 4.368 1.00 0.00 C ATOM 305 O GLN A 763 5.765 -3.129 3.852 1.00 0.00 O ATOM 306 CB GLN A 763 7.220 -3.161 6.847 1.00 0.00 C ATOM 307 CG GLN A 763 6.814 -3.874 8.127 1.00 0.00 C ATOM 308 CD GLN A 763 7.963 -4.632 8.762 1.00 0.00 C ATOM 309 OE1 GLN A 763 8.731 -4.075 9.547 1.00 0.00 O ATOM 310 NE2 GLN A 763 8.087 -5.910 8.425 1.00 0.00 N ATOM 0 H GLN A 763 8.995 -4.765 6.237 1.00 0.00 H new ATOM 0 HA GLN A 763 6.296 -4.735 5.714 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.242 -2.797 6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.583 -2.287 6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 763 6.428 -3.144 8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 763 6.002 -4.568 7.910 1.00 0.00 H new ATOM 0 HE21 GLN A 763 7.428 -6.331 7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 763 8.842 -6.471 8.821 1.00 0.00 H new ATOM 319 N GLU A 764 7.927 -2.506 3.902 1.00 0.00 N ATOM 320 CA GLU A 764 7.819 -1.644 2.731 1.00 0.00 C ATOM 321 C GLU A 764 7.940 -2.456 1.445 1.00 0.00 C ATOM 322 O GLU A 764 8.642 -3.468 1.400 1.00 0.00 O ATOM 323 CB GLU A 764 8.898 -0.560 2.766 1.00 0.00 C ATOM 324 CG GLU A 764 8.702 0.459 3.876 1.00 0.00 C ATOM 325 CD GLU A 764 8.520 -0.187 5.236 1.00 0.00 C ATOM 326 OE1 GLU A 764 7.393 -0.634 5.536 1.00 0.00 O ATOM 327 OE2 GLU A 764 9.506 -0.247 6.000 1.00 0.00 O ATOM 0 H GLU A 764 8.858 -2.539 4.317 1.00 0.00 H new ATOM 0 HA GLU A 764 6.838 -1.170 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.873 -1.033 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.912 -0.042 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.563 1.127 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.830 1.073 3.650 1.00 0.00 H new ATOM 334 N LEU A 765 7.252 -2.007 0.401 1.00 0.00 N ATOM 335 CA LEU A 765 7.281 -2.692 -0.886 1.00 0.00 C ATOM 336 C LEU A 765 8.274 -2.027 -1.834 1.00 0.00 C ATOM 337 O LEU A 765 8.831 -0.973 -1.526 1.00 0.00 O ATOM 338 CB LEU A 765 5.886 -2.699 -1.514 1.00 0.00 C ATOM 339 CG LEU A 765 4.866 -3.639 -0.871 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.458 -3.290 -1.327 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.192 -5.088 -1.203 1.00 0.00 C ATOM 0 H LEU A 765 6.667 -1.171 0.421 1.00 0.00 H new ATOM 0 HA LEU A 765 7.601 -3.720 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.488 -1.685 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.984 -2.967 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 765 4.917 -3.515 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.745 -3.969 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.226 -2.265 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.392 -3.385 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.456 -5.743 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.169 -5.228 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.185 -5.333 -0.826 1.00 0.00 H new ATOM 353 N SER A 766 8.490 -2.648 -2.989 1.00 0.00 N ATOM 354 CA SER A 766 9.417 -2.117 -3.982 1.00 0.00 C ATOM 355 C SER A 766 8.820 -2.203 -5.383 1.00 0.00 C ATOM 356 O SER A 766 8.452 -3.281 -5.849 1.00 0.00 O ATOM 357 CB SER A 766 10.742 -2.881 -3.932 1.00 0.00 C ATOM 358 OG SER A 766 11.351 -2.762 -2.659 1.00 0.00 O ATOM 0 H SER A 766 8.036 -3.520 -3.261 1.00 0.00 H new ATOM 0 HA SER A 766 9.601 -1.068 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 766 10.568 -3.933 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.416 -2.497 -4.698 1.00 0.00 H new ATOM 0 HG SER A 766 12.195 -3.260 -2.652 1.00 0.00 H new ATOM 364 N PHE A 767 8.726 -1.057 -6.050 1.00 0.00 N ATOM 365 CA PHE A 767 8.173 -1.000 -7.398 1.00 0.00 C ATOM 366 C PHE A 767 8.945 -0.007 -8.262 1.00 0.00 C ATOM 367 O PHE A 767 9.548 0.937 -7.751 1.00 0.00 O ATOM 368 CB PHE A 767 6.694 -0.610 -7.350 1.00 0.00 C ATOM 369 CG PHE A 767 6.400 0.505 -6.388 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.585 1.827 -6.761 1.00 0.00 C ATOM 371 CD2 PHE A 767 5.940 0.232 -5.110 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.315 2.855 -5.878 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.668 1.257 -4.223 1.00 0.00 C ATOM 374 CZ PHE A 767 5.856 2.570 -4.607 1.00 0.00 C ATOM 0 H PHE A 767 9.026 -0.155 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 767 8.266 -1.991 -7.843 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.372 -0.313 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.105 -1.484 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 767 6.944 2.056 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.792 -0.793 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.463 3.881 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.309 1.031 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.645 3.372 -3.915 1.00 0.00 H new ATOM 384 N ARG A 768 8.921 -0.227 -9.572 1.00 0.00 N ATOM 385 CA ARG A 768 9.619 0.647 -10.507 1.00 0.00 C ATOM 386 C ARG A 768 8.704 1.768 -10.990 1.00 0.00 C ATOM 387 O ARG A 768 7.488 1.598 -11.072 1.00 0.00 O ATOM 388 CB ARG A 768 10.134 -0.157 -11.702 1.00 0.00 C ATOM 389 CG ARG A 768 11.403 0.410 -12.317 1.00 0.00 C ATOM 390 CD ARG A 768 12.126 -0.628 -13.161 1.00 0.00 C ATOM 391 NE ARG A 768 13.090 -1.395 -12.377 1.00 0.00 N ATOM 392 CZ ARG A 768 14.334 -0.992 -12.143 1.00 0.00 C ATOM 393 NH1 ARG A 768 14.762 0.164 -12.630 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.152 -1.746 -11.420 1.00 0.00 N ATOM 0 H ARG A 768 8.426 -1.003 -10.010 1.00 0.00 H new ATOM 0 HA ARG A 768 10.466 1.093 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 768 10.321 -1.183 -11.385 1.00 0.00 H new ATOM 0 HB3 ARG A 768 9.357 -0.196 -12.465 1.00 0.00 H new ATOM 0 HG2 ARG A 768 11.155 1.273 -12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 768 12.065 0.763 -11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.397 -1.307 -13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 768 12.641 -0.132 -13.984 1.00 0.00 H new ATOM 0 HE ARG A 768 12.792 -2.289 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 768 14.136 0.746 -13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 768 15.718 0.471 -12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 768 14.826 -2.636 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 768 16.107 -1.436 -11.241 1.00 0.00 H new ATOM 408 N ARG A 769 9.298 2.914 -11.307 1.00 0.00 N ATOM 409 CA ARG A 769 8.537 4.064 -11.780 1.00 0.00 C ATOM 410 C ARG A 769 7.470 3.634 -12.783 1.00 0.00 C ATOM 411 O ARG A 769 7.774 3.008 -13.798 1.00 0.00 O ATOM 412 CB ARG A 769 9.470 5.092 -12.421 1.00 0.00 C ATOM 413 CG ARG A 769 8.797 6.421 -12.725 1.00 0.00 C ATOM 414 CD ARG A 769 9.625 7.258 -13.686 1.00 0.00 C ATOM 415 NE ARG A 769 10.584 8.108 -12.986 1.00 0.00 N ATOM 416 CZ ARG A 769 11.722 8.531 -13.525 1.00 0.00 C ATOM 417 NH1 ARG A 769 12.041 8.185 -14.765 1.00 0.00 N ATOM 418 NH2 ARG A 769 12.543 9.302 -12.824 1.00 0.00 N ATOM 0 H ARG A 769 10.304 3.071 -11.245 1.00 0.00 H new ATOM 0 HA ARG A 769 8.043 4.519 -10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 769 10.316 5.267 -11.756 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.872 4.678 -13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.811 6.241 -13.154 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.645 6.974 -11.798 1.00 0.00 H new ATOM 0 HD2 ARG A 769 10.158 6.600 -14.373 1.00 0.00 H new ATOM 0 HD3 ARG A 769 8.963 7.879 -14.289 1.00 0.00 H new ATOM 0 HE ARG A 769 10.368 8.393 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 769 11.412 7.593 -15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 769 12.915 8.511 -15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 769 12.301 9.570 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 769 13.417 9.626 -13.239 1.00 0.00 H new ATOM 432 N GLY A 770 6.219 3.975 -12.492 1.00 0.00 N ATOM 433 CA GLY A 770 5.127 3.616 -13.377 1.00 0.00 C ATOM 434 C GLY A 770 4.369 2.394 -12.898 1.00 0.00 C ATOM 435 O GLY A 770 3.157 2.293 -13.087 1.00 0.00 O ATOM 0 H GLY A 770 5.942 4.494 -11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.439 4.457 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.520 3.427 -14.376 1.00 0.00 H new ATOM 439 N ASP A 771 5.085 1.463 -12.277 1.00 0.00 N ATOM 440 CA ASP A 771 4.473 0.240 -11.770 1.00 0.00 C ATOM 441 C ASP A 771 3.271 0.560 -10.887 1.00 0.00 C ATOM 442 O ASP A 771 3.416 1.132 -9.806 1.00 0.00 O ATOM 443 CB ASP A 771 5.497 -0.579 -10.982 1.00 0.00 C ATOM 444 CG ASP A 771 6.477 -1.303 -11.884 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.044 -1.825 -12.933 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.677 -1.347 -11.542 1.00 0.00 O ATOM 0 H ASP A 771 6.089 1.532 -12.113 1.00 0.00 H new ATOM 0 HA ASP A 771 4.129 -0.346 -12.622 1.00 0.00 H new ATOM 0 HB2 ASP A 771 6.046 0.081 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.975 -1.306 -10.360 1.00 0.00 H new ATOM 451 N VAL A 772 2.084 0.188 -11.355 1.00 0.00 N ATOM 452 CA VAL A 772 0.856 0.435 -10.608 1.00 0.00 C ATOM 453 C VAL A 772 0.789 -0.434 -9.357 1.00 0.00 C ATOM 454 O VAL A 772 1.404 -1.499 -9.295 1.00 0.00 O ATOM 455 CB VAL A 772 -0.390 0.168 -11.473 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.659 0.412 -10.670 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.366 1.034 -12.724 1.00 0.00 C ATOM 0 H VAL A 772 1.946 -0.286 -12.248 1.00 0.00 H new ATOM 0 HA VAL A 772 0.869 1.485 -10.316 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.379 -0.877 -11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.529 0.219 -11.297 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.678 -0.254 -9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.680 1.447 -10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.254 0.832 -13.323 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.352 2.086 -12.438 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.526 0.805 -13.308 1.00 0.00 H new ATOM 467 N LEU A 773 0.038 0.027 -8.363 1.00 0.00 N ATOM 468 CA LEU A 773 -0.110 -0.708 -7.112 1.00 0.00 C ATOM 469 C LEU A 773 -1.522 -0.556 -6.555 1.00 0.00 C ATOM 470 O LEU A 773 -2.076 0.543 -6.533 1.00 0.00 O ATOM 471 CB LEU A 773 0.911 -0.218 -6.085 1.00 0.00 C ATOM 472 CG LEU A 773 2.282 0.175 -6.636 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.997 1.110 -5.673 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.124 -1.065 -6.903 1.00 0.00 C ATOM 0 H LEU A 773 -0.478 0.906 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 773 0.069 -1.764 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.490 0.643 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.052 -1.001 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 773 2.136 0.701 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.971 1.379 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.401 2.012 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.132 0.610 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.097 -0.767 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.261 -1.619 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.618 -1.698 -7.632 1.00 0.00 H new ATOM 486 N ARG A 774 -2.098 -1.666 -6.105 1.00 0.00 N ATOM 487 CA ARG A 774 -3.445 -1.656 -5.547 1.00 0.00 C ATOM 488 C ARG A 774 -3.433 -1.150 -4.107 1.00 0.00 C ATOM 489 O ARG A 774 -2.760 -1.715 -3.245 1.00 0.00 O ATOM 490 CB ARG A 774 -4.053 -3.058 -5.601 1.00 0.00 C ATOM 491 CG ARG A 774 -4.262 -3.578 -7.014 1.00 0.00 C ATOM 492 CD ARG A 774 -5.512 -2.985 -7.646 1.00 0.00 C ATOM 493 NE ARG A 774 -5.871 -3.663 -8.888 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.559 -4.799 -8.934 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.960 -5.380 -7.812 1.00 0.00 N ATOM 496 NH2 ARG A 774 -6.847 -5.355 -10.104 1.00 0.00 N ATOM 0 H ARG A 774 -1.653 -2.584 -6.116 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.055 -0.980 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.403 -3.747 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.011 -3.050 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -3.393 -3.334 -7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.343 -4.665 -6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -6.342 -3.054 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -5.350 -1.926 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 774 -5.578 -3.241 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -6.741 -4.955 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -7.488 -6.252 -7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -6.540 -4.910 -10.969 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -7.375 -6.227 -10.138 1.00 0.00 H new ATOM 510 N LEU A 775 -4.181 -0.082 -3.855 1.00 0.00 N ATOM 511 CA LEU A 775 -4.257 0.502 -2.520 1.00 0.00 C ATOM 512 C LEU A 775 -5.418 -0.095 -1.731 1.00 0.00 C ATOM 513 O LEU A 775 -6.567 0.318 -1.889 1.00 0.00 O ATOM 514 CB LEU A 775 -4.416 2.020 -2.614 1.00 0.00 C ATOM 515 CG LEU A 775 -3.407 2.747 -3.504 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.680 4.243 -3.510 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.985 2.465 -3.039 1.00 0.00 C ATOM 0 H LEU A 775 -4.744 0.398 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.329 0.273 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.418 2.238 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.349 2.435 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.516 2.374 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.952 4.743 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.684 4.428 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.600 4.632 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.280 2.990 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.863 2.809 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.792 1.393 -3.088 1.00 0.00 H new ATOM 529 N HIS A 776 -5.109 -1.066 -0.877 1.00 0.00 N ATOM 530 CA HIS A 776 -6.127 -1.718 -0.060 1.00 0.00 C ATOM 531 C HIS A 776 -6.762 -0.725 0.909 1.00 0.00 C ATOM 532 O HIS A 776 -7.985 -0.615 0.985 1.00 0.00 O ATOM 533 CB HIS A 776 -5.517 -2.886 0.715 1.00 0.00 C ATOM 534 CG HIS A 776 -4.849 -3.902 -0.160 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.562 -5.184 0.258 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.413 -3.819 -1.439 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.976 -5.845 -0.724 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.874 -5.039 -1.766 1.00 0.00 N ATOM 0 H HIS A 776 -4.163 -1.418 -0.733 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.903 -2.098 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.789 -2.498 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.300 -3.376 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.477 -2.954 -2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.638 -6.870 -0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -3.462 -5.283 -2.667 1.00 0.00 H new ATOM 546 N GLU A 777 -5.923 -0.007 1.648 1.00 0.00 N ATOM 547 CA GLU A 777 -6.404 0.974 2.614 1.00 0.00 C ATOM 548 C GLU A 777 -5.257 1.843 3.124 1.00 0.00 C ATOM 549 O GLU A 777 -4.114 1.394 3.208 1.00 0.00 O ATOM 550 CB GLU A 777 -7.089 0.273 3.789 1.00 0.00 C ATOM 551 CG GLU A 777 -8.072 1.159 4.536 1.00 0.00 C ATOM 552 CD GLU A 777 -9.349 1.401 3.756 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.857 0.443 3.137 1.00 0.00 O ATOM 554 OE2 GLU A 777 -9.841 2.549 3.766 1.00 0.00 O ATOM 0 H GLU A 777 -4.907 -0.086 1.597 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.128 1.616 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.614 -0.608 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.328 -0.079 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -8.317 0.697 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.598 2.116 4.756 1.00 0.00 H new ATOM 561 N ARG A 778 -5.572 3.089 3.462 1.00 0.00 N ATOM 562 CA ARG A 778 -4.570 4.021 3.962 1.00 0.00 C ATOM 563 C ARG A 778 -3.721 3.374 5.053 1.00 0.00 C ATOM 564 O ARG A 778 -4.241 2.691 5.935 1.00 0.00 O ATOM 565 CB ARG A 778 -5.242 5.283 4.506 1.00 0.00 C ATOM 566 CG ARG A 778 -4.259 6.354 4.950 1.00 0.00 C ATOM 567 CD ARG A 778 -3.835 7.237 3.787 1.00 0.00 C ATOM 568 NE ARG A 778 -3.240 8.492 4.241 1.00 0.00 N ATOM 569 CZ ARG A 778 -3.951 9.528 4.672 1.00 0.00 C ATOM 570 NH1 ARG A 778 -5.274 9.460 4.708 1.00 0.00 N ATOM 571 NH2 ARG A 778 -3.337 10.636 5.068 1.00 0.00 N ATOM 0 H ARG A 778 -6.514 3.476 3.398 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.918 4.293 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.894 5.697 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.876 5.012 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.714 6.968 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.380 5.883 5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.118 6.700 3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.701 7.452 3.161 1.00 0.00 H new ATOM 0 HE ARG A 778 -2.224 8.577 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -5.749 8.610 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -5.817 10.257 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -2.319 10.692 5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -3.883 11.431 5.399 1.00 0.00 H new ATOM 585 N ALA A 779 -2.412 3.593 4.985 1.00 0.00 N ATOM 586 CA ALA A 779 -1.492 3.033 5.967 1.00 0.00 C ATOM 587 C ALA A 779 -1.054 4.090 6.975 1.00 0.00 C ATOM 588 O ALA A 779 -0.953 3.817 8.171 1.00 0.00 O ATOM 589 CB ALA A 779 -0.280 2.431 5.271 1.00 0.00 C ATOM 0 H ALA A 779 -1.965 4.154 4.260 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.015 2.245 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 779 0.399 2.016 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.604 1.640 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 779 0.235 3.205 4.702 1.00 0.00 H new ATOM 595 N SER A 780 -0.795 5.298 6.485 1.00 0.00 N ATOM 596 CA SER A 780 -0.364 6.395 7.343 1.00 0.00 C ATOM 597 C SER A 780 -0.613 7.742 6.670 1.00 0.00 C ATOM 598 O SER A 780 -1.197 7.809 5.588 1.00 0.00 O ATOM 599 CB SER A 780 1.120 6.250 7.685 1.00 0.00 C ATOM 600 OG SER A 780 1.463 7.036 8.813 1.00 0.00 O ATOM 0 H SER A 780 -0.876 5.542 5.498 1.00 0.00 H new ATOM 0 HA SER A 780 -0.948 6.355 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.350 5.203 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.725 6.552 6.830 1.00 0.00 H new ATOM 0 HG SER A 780 2.416 6.924 9.012 1.00 0.00 H new ATOM 606 N SER A 781 -0.167 8.812 7.319 1.00 0.00 N ATOM 607 CA SER A 781 -0.344 10.158 6.787 1.00 0.00 C ATOM 608 C SER A 781 0.203 10.257 5.366 1.00 0.00 C ATOM 609 O SER A 781 -0.359 10.952 4.519 1.00 0.00 O ATOM 610 CB SER A 781 0.352 11.181 7.686 1.00 0.00 C ATOM 611 OG SER A 781 1.743 10.921 7.773 1.00 0.00 O ATOM 0 H SER A 781 0.320 8.773 8.214 1.00 0.00 H new ATOM 0 HA SER A 781 -1.412 10.374 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 781 0.190 12.185 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.089 11.154 8.682 1.00 0.00 H new ATOM 0 HG SER A 781 2.165 11.590 8.352 1.00 0.00 H new ATOM 617 N ASP A 782 1.303 9.557 5.113 1.00 0.00 N ATOM 618 CA ASP A 782 1.927 9.563 3.795 1.00 0.00 C ATOM 619 C ASP A 782 2.309 8.150 3.367 1.00 0.00 C ATOM 620 O ASP A 782 3.386 7.928 2.813 1.00 0.00 O ATOM 621 CB ASP A 782 3.166 10.461 3.798 1.00 0.00 C ATOM 622 CG ASP A 782 2.846 11.890 3.405 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.698 12.154 2.193 1.00 0.00 O ATOM 624 OD2 ASP A 782 2.743 12.744 4.310 1.00 0.00 O ATOM 0 H ASP A 782 1.781 8.978 5.803 1.00 0.00 H new ATOM 0 HA ASP A 782 1.204 9.956 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.615 10.452 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.907 10.055 3.109 1.00 0.00 H new ATOM 629 N TRP A 783 1.421 7.198 3.629 1.00 0.00 N ATOM 630 CA TRP A 783 1.666 5.805 3.272 1.00 0.00 C ATOM 631 C TRP A 783 0.357 5.078 2.985 1.00 0.00 C ATOM 632 O TRP A 783 -0.709 5.501 3.432 1.00 0.00 O ATOM 633 CB TRP A 783 2.423 5.095 4.396 1.00 0.00 C ATOM 634 CG TRP A 783 3.849 5.539 4.525 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.314 6.603 5.244 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.994 4.932 3.916 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.679 6.694 5.119 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.120 5.680 4.311 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.177 3.829 3.079 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.410 5.359 3.894 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.457 3.511 2.666 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.560 4.273 3.074 1.00 0.00 C ATOM 0 H TRP A 783 0.525 7.365 4.087 1.00 0.00 H new ATOM 0 HA TRP A 783 2.274 5.789 2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.908 5.273 5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.399 4.020 4.218 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.699 7.274 5.825 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.268 7.402 5.557 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.333 3.235 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.261 5.946 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.610 2.661 2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.548 3.998 2.735 1.00 0.00 H new ATOM 653 N TRP A 784 0.445 3.983 2.239 1.00 0.00 N ATOM 654 CA TRP A 784 -0.734 3.198 1.893 1.00 0.00 C ATOM 655 C TRP A 784 -0.466 1.707 2.067 1.00 0.00 C ATOM 656 O TRP A 784 0.681 1.288 2.225 1.00 0.00 O ATOM 657 CB TRP A 784 -1.161 3.487 0.453 1.00 0.00 C ATOM 658 CG TRP A 784 -1.681 4.879 0.256 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.946 6.029 0.213 1.00 0.00 C ATOM 660 CD2 TRP A 784 -3.047 5.266 0.077 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.774 7.109 0.018 1.00 0.00 N ATOM 662 CE2 TRP A 784 -3.068 6.667 -0.070 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.256 4.566 0.024 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -4.249 7.378 -0.264 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.427 5.273 -0.169 1.00 0.00 C ATOM 666 CH2 TRP A 784 -5.417 6.667 -0.312 1.00 0.00 C ATOM 0 H TRP A 784 1.320 3.619 1.862 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.541 3.484 2.568 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.310 3.327 -0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.932 2.774 0.160 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.128 6.082 0.317 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.474 8.081 -0.050 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.274 3.492 0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -4.243 8.452 -0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.367 4.742 -0.210 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -6.350 7.190 -0.463 1.00 0.00 H new ATOM 677 N ARG A 785 -1.529 0.911 2.037 1.00 0.00 N ATOM 678 CA ARG A 785 -1.407 -0.534 2.192 1.00 0.00 C ATOM 679 C ARG A 785 -1.849 -1.256 0.923 1.00 0.00 C ATOM 680 O ARG A 785 -3.037 -1.301 0.604 1.00 0.00 O ATOM 681 CB ARG A 785 -2.241 -1.013 3.382 1.00 0.00 C ATOM 682 CG ARG A 785 -1.685 -0.581 4.729 1.00 0.00 C ATOM 683 CD ARG A 785 -2.193 -1.471 5.852 1.00 0.00 C ATOM 684 NE ARG A 785 -1.480 -1.232 7.105 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.820 -0.288 7.976 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.858 0.501 7.732 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.123 -0.132 9.093 1.00 0.00 N ATOM 0 H ARG A 785 -2.485 1.242 1.907 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.358 -0.767 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.257 -0.633 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.304 -2.101 3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.596 -0.614 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.968 0.453 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.258 -1.294 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.081 -2.517 5.565 1.00 0.00 H new ATOM 0 HE ARG A 785 -0.677 -1.822 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -3.397 0.384 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -3.117 1.225 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.325 -0.737 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.385 0.593 9.761 1.00 0.00 H new ATOM 701 N GLY A 786 -0.885 -1.821 0.202 1.00 0.00 N ATOM 702 CA GLY A 786 -1.195 -2.533 -1.023 1.00 0.00 C ATOM 703 C GLY A 786 -0.394 -3.811 -1.170 1.00 0.00 C ATOM 704 O GLY A 786 0.315 -4.215 -0.248 1.00 0.00 O ATOM 0 H GLY A 786 0.105 -1.798 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.259 -2.770 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.998 -1.884 -1.876 1.00 0.00 H new ATOM 708 N GLU A 787 -0.507 -4.450 -2.330 1.00 0.00 N ATOM 709 CA GLU A 787 0.211 -5.692 -2.591 1.00 0.00 C ATOM 710 C GLU A 787 0.797 -5.695 -4.000 1.00 0.00 C ATOM 711 O GLU A 787 0.071 -5.567 -4.987 1.00 0.00 O ATOM 712 CB GLU A 787 -0.720 -6.893 -2.412 1.00 0.00 C ATOM 713 CG GLU A 787 -0.330 -8.096 -3.253 1.00 0.00 C ATOM 714 CD GLU A 787 -1.346 -9.219 -3.171 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.001 -9.350 -2.116 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.485 -9.967 -4.161 1.00 0.00 O ATOM 0 H GLU A 787 -1.089 -4.128 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 787 1.029 -5.766 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.728 -7.182 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.737 -6.595 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.218 -7.787 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.641 -8.465 -2.924 1.00 0.00 H new ATOM 723 N HIS A 788 2.115 -5.841 -4.086 1.00 0.00 N ATOM 724 CA HIS A 788 2.800 -5.861 -5.374 1.00 0.00 C ATOM 725 C HIS A 788 2.668 -7.228 -6.038 1.00 0.00 C ATOM 726 O HIS A 788 1.996 -8.119 -5.520 1.00 0.00 O ATOM 727 CB HIS A 788 4.277 -5.508 -5.196 1.00 0.00 C ATOM 728 CG HIS A 788 4.863 -4.778 -6.364 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.219 -4.716 -6.610 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.270 -4.076 -7.359 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.434 -4.007 -7.704 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.267 -3.608 -8.178 1.00 0.00 N ATOM 0 H HIS A 788 2.730 -5.947 -3.279 1.00 0.00 H new ATOM 0 HA HIS A 788 2.332 -5.117 -6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.390 -4.896 -4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.844 -6.424 -5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.210 -3.914 -7.485 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.399 -3.790 -8.137 1.00 0.00 H new ATOM 0 HE2 HIS A 788 5.129 -3.044 -9.016 1.00 0.00 H new ATOM 740 N ASN A 789 3.313 -7.387 -7.190 1.00 0.00 N ATOM 741 CA ASN A 789 3.267 -8.645 -7.925 1.00 0.00 C ATOM 742 C ASN A 789 3.958 -9.758 -7.144 1.00 0.00 C ATOM 743 O ASN A 789 5.050 -10.197 -7.502 1.00 0.00 O ATOM 744 CB ASN A 789 3.927 -8.483 -9.296 1.00 0.00 C ATOM 745 CG ASN A 789 3.688 -7.110 -9.894 1.00 0.00 C ATOM 746 OD1 ASN A 789 2.561 -6.615 -9.910 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.751 -6.488 -10.390 1.00 0.00 N ATOM 0 H ASN A 789 3.874 -6.660 -7.634 1.00 0.00 H new ATOM 0 HA ASN A 789 2.221 -8.918 -8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.999 -8.654 -9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 789 3.541 -9.244 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 789 4.652 -5.562 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.667 -6.936 -10.355 1.00 0.00 H new ATOM 754 N GLY A 790 3.313 -10.211 -6.073 1.00 0.00 N ATOM 755 CA GLY A 790 3.880 -11.269 -5.258 1.00 0.00 C ATOM 756 C GLY A 790 4.304 -10.781 -3.887 1.00 0.00 C ATOM 757 O GLY A 790 4.525 -11.580 -2.977 1.00 0.00 O ATOM 0 H GLY A 790 2.408 -9.864 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.148 -12.068 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.742 -11.696 -5.771 1.00 0.00 H new ATOM 761 N MET A 791 4.418 -9.465 -3.738 1.00 0.00 N ATOM 762 CA MET A 791 4.819 -8.872 -2.468 1.00 0.00 C ATOM 763 C MET A 791 3.648 -8.146 -1.813 1.00 0.00 C ATOM 764 O MET A 791 2.676 -7.790 -2.479 1.00 0.00 O ATOM 765 CB MET A 791 5.983 -7.901 -2.679 1.00 0.00 C ATOM 766 CG MET A 791 7.302 -8.591 -2.986 1.00 0.00 C ATOM 767 SD MET A 791 8.443 -7.533 -3.897 1.00 0.00 S ATOM 768 CE MET A 791 9.989 -7.920 -3.079 1.00 0.00 C ATOM 0 H MET A 791 4.238 -8.790 -4.481 1.00 0.00 H new ATOM 0 HA MET A 791 5.141 -9.676 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.737 -7.224 -3.498 1.00 0.00 H new ATOM 0 HB3 MET A 791 6.102 -7.289 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.770 -8.904 -2.053 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.109 -9.494 -3.565 1.00 0.00 H new ATOM 0 HE1 MET A 791 10.795 -7.342 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 791 9.913 -7.670 -2.021 1.00 0.00 H new ATOM 0 HE3 MET A 791 10.201 -8.984 -3.186 1.00 0.00 H new ATOM 778 N ARG A 792 3.748 -7.930 -0.506 1.00 0.00 N ATOM 779 CA ARG A 792 2.696 -7.248 0.239 1.00 0.00 C ATOM 780 C ARG A 792 3.289 -6.371 1.337 1.00 0.00 C ATOM 781 O ARG A 792 4.111 -6.824 2.132 1.00 0.00 O ATOM 782 CB ARG A 792 1.732 -8.266 0.849 1.00 0.00 C ATOM 783 CG ARG A 792 1.117 -9.210 -0.171 1.00 0.00 C ATOM 784 CD ARG A 792 0.145 -10.181 0.482 1.00 0.00 C ATOM 785 NE ARG A 792 0.817 -11.084 1.413 1.00 0.00 N ATOM 786 CZ ARG A 792 0.324 -12.263 1.777 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.837 -12.679 1.291 1.00 0.00 N ATOM 788 NH2 ARG A 792 0.995 -13.029 2.628 1.00 0.00 N ATOM 0 H ARG A 792 4.547 -8.217 0.059 1.00 0.00 H new ATOM 0 HA ARG A 792 2.148 -6.610 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.263 -8.852 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.934 -7.733 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.597 -8.633 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.907 -9.768 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.626 -9.621 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.358 -10.764 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 792 1.713 -10.794 1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -1.355 -12.094 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -1.213 -13.585 1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 792 1.889 -12.713 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.616 -13.934 2.907 1.00 0.00 H new ATOM 802 N GLY A 793 2.866 -5.111 1.375 1.00 0.00 N ATOM 803 CA GLY A 793 3.365 -4.190 2.379 1.00 0.00 C ATOM 804 C GLY A 793 2.785 -2.798 2.229 1.00 0.00 C ATOM 805 O GLY A 793 1.702 -2.625 1.668 1.00 0.00 O ATOM 0 H GLY A 793 2.186 -4.712 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.127 -4.575 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.452 -4.137 2.311 1.00 0.00 H new ATOM 809 N LEU A 794 3.505 -1.801 2.732 1.00 0.00 N ATOM 810 CA LEU A 794 3.054 -0.416 2.653 1.00 0.00 C ATOM 811 C LEU A 794 3.470 0.218 1.329 1.00 0.00 C ATOM 812 O LEU A 794 4.180 -0.397 0.532 1.00 0.00 O ATOM 813 CB LEU A 794 3.622 0.394 3.820 1.00 0.00 C ATOM 814 CG LEU A 794 3.390 -0.187 5.215 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.532 0.190 6.146 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.060 0.292 5.778 1.00 0.00 C ATOM 0 H LEU A 794 4.403 -1.926 3.199 1.00 0.00 H new ATOM 0 HA LEU A 794 1.966 -0.411 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.696 0.507 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.188 1.394 3.788 1.00 0.00 H new ATOM 0 HG LEU A 794 3.357 -1.274 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.350 -0.232 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.469 -0.203 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.597 1.275 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.912 -0.132 6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.064 1.380 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.251 -0.029 5.122 1.00 0.00 H new ATOM 828 N ILE A 795 3.026 1.450 1.103 1.00 0.00 N ATOM 829 CA ILE A 795 3.356 2.167 -0.122 1.00 0.00 C ATOM 830 C ILE A 795 3.522 3.660 0.142 1.00 0.00 C ATOM 831 O ILE A 795 2.711 4.289 0.823 1.00 0.00 O ATOM 832 CB ILE A 795 2.275 1.966 -1.201 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.198 0.493 -1.608 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.565 2.841 -2.411 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.073 0.191 -2.573 1.00 0.00 C ATOM 0 H ILE A 795 2.437 1.972 1.752 1.00 0.00 H new ATOM 0 HA ILE A 795 4.299 1.757 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 795 1.310 2.260 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.144 0.200 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.072 -0.117 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.792 2.688 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.574 3.888 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.536 2.575 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.079 -0.871 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.120 0.452 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.209 0.774 -3.484 1.00 0.00 H new ATOM 847 N PRO A 796 4.597 4.242 -0.409 1.00 0.00 N ATOM 848 CA PRO A 796 4.894 5.669 -0.248 1.00 0.00 C ATOM 849 C PRO A 796 3.907 6.554 -1.000 1.00 0.00 C ATOM 850 O PRO A 796 3.756 6.439 -2.217 1.00 0.00 O ATOM 851 CB PRO A 796 6.298 5.808 -0.842 1.00 0.00 C ATOM 852 CG PRO A 796 6.412 4.682 -1.811 1.00 0.00 C ATOM 853 CD PRO A 796 5.605 3.553 -1.231 1.00 0.00 C ATOM 0 HA PRO A 796 4.824 5.986 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.425 6.771 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.063 5.744 -0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.032 4.970 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.453 4.388 -1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.142 2.948 -2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.223 2.884 -0.632 1.00 0.00 H new ATOM 861 N HIS A 797 3.237 7.439 -0.269 1.00 0.00 N ATOM 862 CA HIS A 797 2.264 8.346 -0.868 1.00 0.00 C ATOM 863 C HIS A 797 2.962 9.424 -1.692 1.00 0.00 C ATOM 864 O HIS A 797 2.363 10.024 -2.585 1.00 0.00 O ATOM 865 CB HIS A 797 1.403 8.994 0.217 1.00 0.00 C ATOM 866 CG HIS A 797 0.402 9.971 -0.317 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.961 9.785 -0.213 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.571 11.149 -0.962 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.586 10.806 -0.772 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.680 11.648 -1.233 1.00 0.00 N ATOM 0 H HIS A 797 3.350 7.548 0.739 1.00 0.00 H new ATOM 0 HA HIS A 797 1.623 7.765 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.878 8.213 0.768 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.053 9.504 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.514 11.611 -1.216 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.657 10.931 -0.840 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.877 12.526 -1.713 1.00 0.00 H new ATOM 878 N LYS A 798 4.232 9.667 -1.386 1.00 0.00 N ATOM 879 CA LYS A 798 5.013 10.672 -2.097 1.00 0.00 C ATOM 880 C LYS A 798 5.496 10.135 -3.440 1.00 0.00 C ATOM 881 O LYS A 798 5.529 10.861 -4.434 1.00 0.00 O ATOM 882 CB LYS A 798 6.210 11.111 -1.250 1.00 0.00 C ATOM 883 CG LYS A 798 7.109 12.119 -1.945 1.00 0.00 C ATOM 884 CD LYS A 798 8.013 12.835 -0.955 1.00 0.00 C ATOM 885 CE LYS A 798 9.170 11.950 -0.516 1.00 0.00 C ATOM 886 NZ LYS A 798 10.169 12.704 0.290 1.00 0.00 N ATOM 0 H LYS A 798 4.743 9.181 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 798 4.370 11.533 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.846 11.543 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.799 10.233 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.717 11.610 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.497 12.849 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.402 13.746 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 798 7.433 13.136 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.786 11.115 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 798 9.657 11.526 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 10.942 12.067 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 10.554 13.486 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 9.710 13.087 1.141 1.00 0.00 H new ATOM 900 N TYR A 799 5.870 8.861 -3.463 1.00 0.00 N ATOM 901 CA TYR A 799 6.352 8.227 -4.684 1.00 0.00 C ATOM 902 C TYR A 799 5.204 7.582 -5.453 1.00 0.00 C ATOM 903 O TYR A 799 5.401 6.614 -6.190 1.00 0.00 O ATOM 904 CB TYR A 799 7.413 7.176 -4.353 1.00 0.00 C ATOM 905 CG TYR A 799 8.683 7.759 -3.775 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.666 8.458 -2.574 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.900 7.612 -4.431 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.824 8.993 -2.043 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.062 8.143 -3.906 1.00 0.00 C ATOM 910 CZ TYR A 799 11.019 8.832 -2.712 1.00 0.00 C ATOM 911 OH TYR A 799 12.175 9.363 -2.186 1.00 0.00 O ATOM 0 H TYR A 799 5.849 8.246 -2.649 1.00 0.00 H new ATOM 0 HA TYR A 799 6.797 8.998 -5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.996 6.461 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.657 6.621 -5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.732 8.585 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.937 7.074 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.793 9.534 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 799 11.999 8.019 -4.428 1.00 0.00 H new ATOM 0 HH TYR A 799 12.928 9.160 -2.779 1.00 0.00 H new ATOM 921 N ILE A 800 4.004 8.125 -5.278 1.00 0.00 N ATOM 922 CA ILE A 800 2.823 7.604 -5.956 1.00 0.00 C ATOM 923 C ILE A 800 1.787 8.701 -6.177 1.00 0.00 C ATOM 924 O ILE A 800 1.501 9.490 -5.276 1.00 0.00 O ATOM 925 CB ILE A 800 2.177 6.455 -5.159 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.699 6.958 -3.795 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.161 5.307 -4.992 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.294 7.517 -3.816 1.00 0.00 C ATOM 0 H ILE A 800 3.824 8.926 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 800 3.156 7.223 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 800 1.313 6.088 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.745 6.138 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.383 7.729 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.690 4.503 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.457 4.936 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.043 5.659 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.022 7.854 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.247 8.358 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.401 6.742 -4.139 1.00 0.00 H new ATOM 940 N THR A 801 1.226 8.744 -7.381 1.00 0.00 N ATOM 941 CA THR A 801 0.221 9.743 -7.721 1.00 0.00 C ATOM 942 C THR A 801 -1.173 9.128 -7.763 1.00 0.00 C ATOM 943 O THR A 801 -1.489 8.339 -8.655 1.00 0.00 O ATOM 944 CB THR A 801 0.521 10.401 -9.081 1.00 0.00 C ATOM 945 OG1 THR A 801 1.820 11.003 -9.058 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.525 11.454 -9.414 1.00 0.00 C ATOM 0 H THR A 801 1.451 8.098 -8.138 1.00 0.00 H new ATOM 0 HA THR A 801 0.256 10.504 -6.942 1.00 0.00 H new ATOM 0 HB THR A 801 0.493 9.627 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.004 11.418 -9.927 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.293 11.905 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.509 10.988 -9.459 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.524 12.225 -8.643 1.00 0.00 H new ATOM 954 N LEU A 802 -2.005 9.493 -6.794 1.00 0.00 N ATOM 955 CA LEU A 802 -3.368 8.977 -6.721 1.00 0.00 C ATOM 956 C LEU A 802 -4.247 9.606 -7.797 1.00 0.00 C ATOM 957 O LEU A 802 -4.011 10.727 -8.249 1.00 0.00 O ATOM 958 CB LEU A 802 -3.963 9.248 -5.338 1.00 0.00 C ATOM 959 CG LEU A 802 -3.203 8.653 -4.152 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.616 9.335 -2.857 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.440 7.152 -4.066 1.00 0.00 C ATOM 0 H LEU A 802 -1.760 10.144 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.332 7.901 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -4.028 10.327 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -4.982 8.862 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.137 8.824 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.065 8.898 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.394 10.400 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -4.685 9.196 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -2.892 6.745 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.505 6.959 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.093 6.676 -4.983 1.00 0.00 H new ATOM 973 N PRO A 803 -5.286 8.870 -8.217 1.00 0.00 N ATOM 974 CA PRO A 803 -6.223 9.337 -9.243 1.00 0.00 C ATOM 975 C PRO A 803 -7.105 10.478 -8.747 1.00 0.00 C ATOM 976 O PRO A 803 -7.054 10.850 -7.576 1.00 0.00 O ATOM 977 CB PRO A 803 -7.070 8.097 -9.541 1.00 0.00 C ATOM 978 CG PRO A 803 -6.995 7.280 -8.298 1.00 0.00 C ATOM 979 CD PRO A 803 -5.628 7.526 -7.722 1.00 0.00 C ATOM 0 HA PRO A 803 -5.706 9.737 -10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.100 8.368 -9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.681 7.549 -10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.774 7.570 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.142 6.222 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.638 7.490 -6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.910 6.779 -8.059 1.00 0.00 H new ATOM 987 N ALA A 804 -7.914 11.029 -9.647 1.00 0.00 N ATOM 988 CA ALA A 804 -8.808 12.126 -9.299 1.00 0.00 C ATOM 989 C ALA A 804 -9.371 11.951 -7.893 1.00 0.00 C ATOM 990 O ALA A 804 -9.848 10.875 -7.534 1.00 0.00 O ATOM 991 CB ALA A 804 -9.939 12.226 -10.313 1.00 0.00 C ATOM 0 H ALA A 804 -7.968 10.733 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 804 -8.232 13.051 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -10.600 13.049 -10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -9.524 12.406 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -10.505 11.294 -10.320 1.00 0.00 H new ATOM 997 N GLY A 805 -9.312 13.016 -7.100 1.00 0.00 N ATOM 998 CA GLY A 805 -9.818 12.959 -5.741 1.00 0.00 C ATOM 999 C GLY A 805 -8.795 13.417 -4.721 1.00 0.00 C ATOM 1000 O GLY A 805 -9.135 14.091 -3.747 1.00 0.00 O ATOM 0 H GLY A 805 -8.923 13.918 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -10.709 13.582 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -10.122 11.937 -5.512 1.00 0.00 H new ATOM 1004 N THR A 806 -7.536 13.051 -4.942 1.00 0.00 N ATOM 1005 CA THR A 806 -6.460 13.426 -4.033 1.00 0.00 C ATOM 1006 C THR A 806 -6.166 14.919 -4.116 1.00 0.00 C ATOM 1007 O THR A 806 -6.577 15.590 -5.062 1.00 0.00 O ATOM 1008 CB THR A 806 -5.169 12.643 -4.337 1.00 0.00 C ATOM 1009 OG1 THR A 806 -4.123 13.060 -3.452 1.00 0.00 O ATOM 1010 CG2 THR A 806 -4.735 12.854 -5.779 1.00 0.00 C ATOM 0 H THR A 806 -7.237 12.495 -5.743 1.00 0.00 H new ATOM 0 HA THR A 806 -6.797 13.180 -3.026 1.00 0.00 H new ATOM 0 HB THR A 806 -5.370 11.582 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 806 -3.306 12.556 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 806 -3.821 12.291 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 806 -5.521 12.508 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 806 -4.551 13.914 -5.952 1.00 0.00 H new ATOM 1018 N GLU A 807 -5.452 15.434 -3.119 1.00 0.00 N ATOM 1019 CA GLU A 807 -5.104 16.849 -3.081 1.00 0.00 C ATOM 1020 C GLU A 807 -3.911 17.141 -3.988 1.00 0.00 C ATOM 1021 O GLU A 807 -2.916 16.416 -3.976 1.00 0.00 O ATOM 1022 CB GLU A 807 -4.786 17.281 -1.648 1.00 0.00 C ATOM 1023 CG GLU A 807 -3.526 16.644 -1.086 1.00 0.00 C ATOM 1024 CD GLU A 807 -3.276 17.025 0.361 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -2.700 18.107 0.597 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -3.656 16.241 1.255 1.00 0.00 O ATOM 0 H GLU A 807 -5.104 14.892 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 807 -5.961 17.417 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -4.679 18.365 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -5.629 17.027 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -3.606 15.560 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -2.670 16.945 -1.690 1.00 0.00 H new ATOM 1033 N LYS A 808 -4.020 18.207 -4.773 1.00 0.00 N ATOM 1034 CA LYS A 808 -2.952 18.596 -5.686 1.00 0.00 C ATOM 1035 C LYS A 808 -1.898 19.432 -4.966 1.00 0.00 C ATOM 1036 O LYS A 808 -1.421 20.436 -5.496 1.00 0.00 O ATOM 1037 CB LYS A 808 -3.524 19.385 -6.867 1.00 0.00 C ATOM 1038 CG LYS A 808 -2.706 19.254 -8.140 1.00 0.00 C ATOM 1039 CD LYS A 808 -3.078 18.001 -8.915 1.00 0.00 C ATOM 1040 CE LYS A 808 -2.251 17.865 -10.185 1.00 0.00 C ATOM 1041 NZ LYS A 808 -2.684 16.702 -11.007 1.00 0.00 N ATOM 0 H LYS A 808 -4.837 18.817 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 808 -2.478 17.688 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -4.541 19.044 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -3.588 20.438 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -2.864 20.131 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -1.645 19.227 -7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -2.927 17.124 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -4.137 18.031 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -2.337 18.778 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -1.199 17.753 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -2.096 16.644 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -2.578 15.827 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -3.681 16.821 -11.279 1.00 0.00 H new ATOM 1055 N GLN A 809 -1.539 19.011 -3.758 1.00 0.00 N ATOM 1056 CA GLN A 809 -0.542 19.721 -2.967 1.00 0.00 C ATOM 1057 C GLN A 809 0.623 20.175 -3.840 1.00 0.00 C ATOM 1058 O GLN A 809 1.024 21.339 -3.803 1.00 0.00 O ATOM 1059 CB GLN A 809 -0.028 18.829 -1.835 1.00 0.00 C ATOM 1060 CG GLN A 809 1.066 19.475 -1.000 1.00 0.00 C ATOM 1061 CD GLN A 809 0.605 20.749 -0.320 1.00 0.00 C ATOM 1062 OE1 GLN A 809 0.117 21.673 -0.972 1.00 0.00 O ATOM 1063 NE2 GLN A 809 0.758 20.806 0.998 1.00 0.00 N ATOM 0 H GLN A 809 -1.924 18.182 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 809 -1.017 20.603 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -0.862 18.565 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 809 0.352 17.900 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 809 1.407 18.767 -0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 809 1.921 19.697 -1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 809 1.167 20.017 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 809 0.466 21.639 1.510 1.00 0.00 H new ATOM 1072 N VAL A 810 1.163 19.249 -4.627 1.00 0.00 N ATOM 1073 CA VAL A 810 2.281 19.555 -5.511 1.00 0.00 C ATOM 1074 C VAL A 810 1.803 19.809 -6.936 1.00 0.00 C ATOM 1075 O VAL A 810 0.773 19.283 -7.359 1.00 0.00 O ATOM 1076 CB VAL A 810 3.314 18.412 -5.524 1.00 0.00 C ATOM 1077 CG1 VAL A 810 3.872 18.180 -4.128 1.00 0.00 C ATOM 1078 CG2 VAL A 810 2.692 17.139 -6.077 1.00 0.00 C ATOM 0 H VAL A 810 0.844 18.281 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 810 2.753 20.458 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 810 4.139 18.699 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 810 4.600 17.369 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 810 4.357 19.090 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 810 3.060 17.914 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 810 3.435 16.342 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 810 1.848 16.846 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 810 2.347 17.316 -7.096 1.00 0.00 H new ATOM 1088 N VAL A 811 2.556 20.619 -7.672 1.00 0.00 N ATOM 1089 CA VAL A 811 2.210 20.943 -9.051 1.00 0.00 C ATOM 1090 C VAL A 811 2.497 19.768 -9.979 1.00 0.00 C ATOM 1091 O VAL A 811 1.591 19.231 -10.616 1.00 0.00 O ATOM 1092 CB VAL A 811 2.984 22.178 -9.549 1.00 0.00 C ATOM 1093 CG1 VAL A 811 2.638 22.476 -11.000 1.00 0.00 C ATOM 1094 CG2 VAL A 811 2.694 23.381 -8.664 1.00 0.00 C ATOM 0 H VAL A 811 3.411 21.064 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 811 1.143 21.163 -9.067 1.00 0.00 H new ATOM 0 HB VAL A 811 4.051 21.964 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 811 3.194 23.352 -11.334 1.00 0.00 H new ATOM 0 HG12 VAL A 811 2.902 21.620 -11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 811 1.569 22.671 -11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 811 3.249 24.245 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 811 1.626 23.600 -8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 811 2.998 23.162 -7.641 1.00 0.00 H new ATOM 1104 N GLY A 812 3.764 19.373 -10.051 1.00 0.00 N ATOM 1105 CA GLY A 812 4.148 18.264 -10.905 1.00 0.00 C ATOM 1106 C GLY A 812 5.075 18.689 -12.027 1.00 0.00 C ATOM 1107 O GLY A 812 5.830 19.650 -11.886 1.00 0.00 O ATOM 0 H GLY A 812 4.532 19.801 -9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 812 4.638 17.499 -10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 812 3.253 17.810 -11.330 1.00 0.00 H new ATOM 1111 N ALA A 813 5.018 17.970 -13.143 1.00 0.00 N ATOM 1112 CA ALA A 813 5.858 18.279 -14.294 1.00 0.00 C ATOM 1113 C ALA A 813 7.315 18.457 -13.878 1.00 0.00 C ATOM 1114 O ALA A 813 8.000 19.361 -14.354 1.00 0.00 O ATOM 1115 CB ALA A 813 5.351 19.529 -14.997 1.00 0.00 C ATOM 0 H ALA A 813 4.399 17.170 -13.275 1.00 0.00 H new ATOM 0 HA ALA A 813 5.805 17.439 -14.987 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.988 19.748 -15.854 1.00 0.00 H new ATOM 0 HB2 ALA A 813 4.328 19.366 -15.337 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.373 20.370 -14.304 1.00 0.00 H new ATOM 1121 N GLY A 814 7.781 17.589 -12.985 1.00 0.00 N ATOM 1122 CA GLY A 814 9.153 17.668 -12.520 1.00 0.00 C ATOM 1123 C GLY A 814 9.543 19.072 -12.100 1.00 0.00 C ATOM 1124 O GLY A 814 10.076 19.841 -12.900 1.00 0.00 O ATOM 0 H GLY A 814 7.233 16.833 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 814 9.288 16.990 -11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 814 9.822 17.330 -13.312 1.00 0.00 H new TER 1128 GLY A 814