USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 754 CYS SG : rot -107:sc= 0.295 USER MOD Set 1.2: A 801 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 788 HIS : no HE2:sc= -0.818 K(o=-1.5,f=-2.4) USER MOD Set 2.2: A 789 ASN : amide:sc= -0.723 K(o=-1.5,f=-9.7!) USER MOD Single : A 740 SER OG : rot 24:sc= 0.751 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 757 TYR OH : rot -15:sc= 0.924 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 766 SER OG : rot 180:sc= -0.171 USER MOD Single : A 776 HIS : no HE2:sc= -0.678 K(o=-0.68,f=-1.6!) USER MOD Single : A 780 SER OG : rot 180:sc= -0.218 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-7.1!) 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 806 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 GLN : amide:sc= -2.78! C(o=-2.8!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -21.259 -2.927 17.496 1.00 0.00 N ATOM 2 CA GLY A 739 -21.751 -1.562 17.468 1.00 0.00 C ATOM 3 C GLY A 739 -22.080 -1.093 16.064 1.00 0.00 C ATOM 4 O GLY A 739 -21.706 -1.738 15.084 1.00 0.00 O ATOM 0 HA2 GLY A 739 -22.642 -1.487 18.091 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -21.002 -0.900 17.903 1.00 0.00 H new ATOM 8 N SER A 740 -22.782 0.031 15.966 1.00 0.00 N ATOM 9 CA SER A 740 -23.165 0.582 14.672 1.00 0.00 C ATOM 10 C SER A 740 -21.940 1.066 13.903 1.00 0.00 C ATOM 11 O SER A 740 -21.279 2.024 14.304 1.00 0.00 O ATOM 12 CB SER A 740 -24.153 1.736 14.858 1.00 0.00 C ATOM 13 OG SER A 740 -23.561 2.803 15.577 1.00 0.00 O ATOM 0 H SER A 740 -23.097 0.578 16.767 1.00 0.00 H new ATOM 0 HA SER A 740 -23.645 -0.209 14.096 1.00 0.00 H new ATOM 0 HB2 SER A 740 -24.489 2.092 13.884 1.00 0.00 H new ATOM 0 HB3 SER A 740 -25.036 1.381 15.389 1.00 0.00 H new ATOM 0 HG SER A 740 -22.587 2.767 15.473 1.00 0.00 H new ATOM 19 N SER A 741 -21.643 0.397 12.794 1.00 0.00 N ATOM 20 CA SER A 741 -20.495 0.755 11.969 1.00 0.00 C ATOM 21 C SER A 741 -20.797 0.531 10.490 1.00 0.00 C ATOM 22 O SER A 741 -20.959 -0.604 10.043 1.00 0.00 O ATOM 23 CB SER A 741 -19.269 -0.063 12.380 1.00 0.00 C ATOM 24 OG SER A 741 -18.787 0.343 13.649 1.00 0.00 O ATOM 0 H SER A 741 -22.181 -0.396 12.446 1.00 0.00 H new ATOM 0 HA SER A 741 -20.285 1.813 12.123 1.00 0.00 H new ATOM 0 HB2 SER A 741 -19.527 -1.122 12.407 1.00 0.00 H new ATOM 0 HB3 SER A 741 -18.483 0.055 11.634 1.00 0.00 H new ATOM 0 HG SER A 741 -18.005 -0.196 13.889 1.00 0.00 H new ATOM 30 N GLY A 742 -20.873 1.623 9.736 1.00 0.00 N ATOM 31 CA GLY A 742 -21.156 1.525 8.315 1.00 0.00 C ATOM 32 C GLY A 742 -20.592 2.693 7.530 1.00 0.00 C ATOM 33 O GLY A 742 -21.325 3.393 6.832 1.00 0.00 O ATOM 0 H GLY A 742 -20.744 2.573 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -20.739 0.595 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -22.235 1.477 8.165 1.00 0.00 H new ATOM 37 N SER A 743 -19.285 2.905 7.646 1.00 0.00 N ATOM 38 CA SER A 743 -18.624 4.000 6.945 1.00 0.00 C ATOM 39 C SER A 743 -18.857 3.902 5.441 1.00 0.00 C ATOM 40 O SER A 743 -19.234 2.849 4.927 1.00 0.00 O ATOM 41 CB SER A 743 -17.123 3.991 7.242 1.00 0.00 C ATOM 42 OG SER A 743 -16.491 2.873 6.641 1.00 0.00 O ATOM 0 H SER A 743 -18.663 2.334 8.218 1.00 0.00 H new ATOM 0 HA SER A 743 -19.052 4.937 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 743 -16.670 4.911 6.872 1.00 0.00 H new ATOM 0 HB3 SER A 743 -16.962 3.968 8.320 1.00 0.00 H new ATOM 0 HG SER A 743 -15.532 2.891 6.844 1.00 0.00 H new ATOM 48 N SER A 744 -18.630 5.008 4.740 1.00 0.00 N ATOM 49 CA SER A 744 -18.819 5.050 3.294 1.00 0.00 C ATOM 50 C SER A 744 -17.495 4.836 2.567 1.00 0.00 C ATOM 51 O SER A 744 -16.543 5.594 2.752 1.00 0.00 O ATOM 52 CB SER A 744 -19.433 6.387 2.877 1.00 0.00 C ATOM 53 OG SER A 744 -20.845 6.360 2.998 1.00 0.00 O ATOM 0 H SER A 744 -18.315 5.887 5.150 1.00 0.00 H new ATOM 0 HA SER A 744 -19.500 4.245 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 744 -19.027 7.186 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 744 -19.157 6.612 1.847 1.00 0.00 H new ATOM 0 HG SER A 744 -21.213 7.227 2.727 1.00 0.00 H new ATOM 59 N GLY A 745 -17.442 3.798 1.738 1.00 0.00 N ATOM 60 CA GLY A 745 -16.231 3.502 0.995 1.00 0.00 C ATOM 61 C GLY A 745 -15.801 2.056 1.140 1.00 0.00 C ATOM 62 O GLY A 745 -15.613 1.566 2.253 1.00 0.00 O ATOM 0 H GLY A 745 -18.217 3.157 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -16.391 3.726 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -15.428 4.153 1.341 1.00 0.00 H new ATOM 66 N GLU A 746 -15.647 1.370 0.011 1.00 0.00 N ATOM 67 CA GLU A 746 -15.239 -0.030 0.018 1.00 0.00 C ATOM 68 C GLU A 746 -14.694 -0.444 -1.346 1.00 0.00 C ATOM 69 O GLU A 746 -15.419 -0.457 -2.339 1.00 0.00 O ATOM 70 CB GLU A 746 -16.419 -0.926 0.401 1.00 0.00 C ATOM 71 CG GLU A 746 -16.001 -2.260 0.996 1.00 0.00 C ATOM 72 CD GLU A 746 -17.185 -3.095 1.444 1.00 0.00 C ATOM 73 OE1 GLU A 746 -18.149 -3.228 0.662 1.00 0.00 O ATOM 74 OE2 GLU A 746 -17.146 -3.616 2.579 1.00 0.00 O ATOM 0 H GLU A 746 -15.799 1.761 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 746 -14.447 -0.148 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -17.047 -0.398 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -17.029 -1.107 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -15.426 -2.819 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -15.343 -2.084 1.847 1.00 0.00 H new ATOM 81 N GLY A 747 -13.408 -0.782 -1.385 1.00 0.00 N ATOM 82 CA GLY A 747 -12.787 -1.192 -2.630 1.00 0.00 C ATOM 83 C GLY A 747 -11.286 -0.980 -2.626 1.00 0.00 C ATOM 84 O GLY A 747 -10.660 -0.939 -1.567 1.00 0.00 O ATOM 0 H GLY A 747 -12.786 -0.779 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.002 -2.245 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.228 -0.631 -3.454 1.00 0.00 H new ATOM 88 N VAL A 748 -10.705 -0.845 -3.814 1.00 0.00 N ATOM 89 CA VAL A 748 -9.268 -0.637 -3.944 1.00 0.00 C ATOM 90 C VAL A 748 -8.962 0.482 -4.933 1.00 0.00 C ATOM 91 O VAL A 748 -9.589 0.582 -5.988 1.00 0.00 O ATOM 92 CB VAL A 748 -8.554 -1.922 -4.403 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.064 -1.672 -4.578 1.00 0.00 C ATOM 94 CG2 VAL A 748 -8.800 -3.051 -3.413 1.00 0.00 C ATOM 0 H VAL A 748 -11.208 -0.876 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 748 -8.898 -0.357 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 748 -8.964 -2.219 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -6.576 -2.591 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -6.911 -0.896 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -6.635 -1.349 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -8.288 -3.951 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -8.418 -2.765 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -9.870 -3.247 -3.343 1.00 0.00 H new ATOM 104 N VAL A 749 -7.993 1.323 -4.585 1.00 0.00 N ATOM 105 CA VAL A 749 -7.602 2.435 -5.443 1.00 0.00 C ATOM 106 C VAL A 749 -6.271 2.156 -6.132 1.00 0.00 C ATOM 107 O VAL A 749 -5.272 1.863 -5.476 1.00 0.00 O ATOM 108 CB VAL A 749 -7.489 3.747 -4.644 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.036 4.885 -5.547 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.815 4.080 -3.978 1.00 0.00 C ATOM 0 H VAL A 749 -7.465 1.255 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.382 2.543 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.740 3.614 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.962 5.804 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.062 4.646 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.760 5.022 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.717 5.010 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.586 4.195 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.093 3.274 -3.298 1.00 0.00 H new ATOM 120 N GLU A 750 -6.266 2.250 -7.458 1.00 0.00 N ATOM 121 CA GLU A 750 -5.056 2.007 -8.235 1.00 0.00 C ATOM 122 C GLU A 750 -4.220 3.278 -8.353 1.00 0.00 C ATOM 123 O GLU A 750 -4.692 4.301 -8.848 1.00 0.00 O ATOM 124 CB GLU A 750 -5.415 1.489 -9.630 1.00 0.00 C ATOM 125 CG GLU A 750 -5.648 -0.011 -9.681 1.00 0.00 C ATOM 126 CD GLU A 750 -6.483 -0.432 -10.875 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.895 -0.692 -11.946 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.722 -0.501 -10.739 1.00 0.00 O ATOM 0 H GLU A 750 -7.085 2.492 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.467 1.252 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.313 2.000 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.613 1.747 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.686 -0.523 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.145 -0.329 -8.765 1.00 0.00 H new ATOM 135 N ALA A 751 -2.976 3.205 -7.892 1.00 0.00 N ATOM 136 CA ALA A 751 -2.073 4.348 -7.946 1.00 0.00 C ATOM 137 C ALA A 751 -0.883 4.066 -8.858 1.00 0.00 C ATOM 138 O ALA A 751 -0.544 2.910 -9.112 1.00 0.00 O ATOM 139 CB ALA A 751 -1.595 4.710 -6.548 1.00 0.00 C ATOM 0 H ALA A 751 -2.570 2.366 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.622 5.193 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.921 5.565 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.452 4.964 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.068 3.861 -6.112 1.00 0.00 H new ATOM 145 N VAL A 752 -0.253 5.129 -9.347 1.00 0.00 N ATOM 146 CA VAL A 752 0.900 4.995 -10.230 1.00 0.00 C ATOM 147 C VAL A 752 2.190 5.371 -9.511 1.00 0.00 C ATOM 148 O VAL A 752 2.232 6.345 -8.759 1.00 0.00 O ATOM 149 CB VAL A 752 0.750 5.874 -11.486 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.975 5.745 -12.377 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.514 5.504 -12.247 1.00 0.00 C ATOM 0 H VAL A 752 -0.521 6.093 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 752 0.948 3.949 -10.531 1.00 0.00 H new ATOM 0 HB VAL A 752 0.666 6.915 -11.172 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.851 6.373 -13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.860 6.063 -11.827 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.093 4.706 -12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.604 6.135 -13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.463 4.458 -12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.382 5.653 -11.605 1.00 0.00 H new ATOM 161 N ALA A 753 3.241 4.593 -9.746 1.00 0.00 N ATOM 162 CA ALA A 753 4.534 4.845 -9.122 1.00 0.00 C ATOM 163 C ALA A 753 5.239 6.026 -9.780 1.00 0.00 C ATOM 164 O ALA A 753 5.768 5.908 -10.886 1.00 0.00 O ATOM 165 CB ALA A 753 5.406 3.601 -9.193 1.00 0.00 C ATOM 0 H ALA A 753 3.222 3.782 -10.365 1.00 0.00 H new ATOM 0 HA ALA A 753 4.362 5.095 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.368 3.804 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.913 2.781 -8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.562 3.325 -10.236 1.00 0.00 H new ATOM 171 N CYS A 754 5.243 7.164 -9.095 1.00 0.00 N ATOM 172 CA CYS A 754 5.882 8.368 -9.614 1.00 0.00 C ATOM 173 C CYS A 754 7.377 8.144 -9.820 1.00 0.00 C ATOM 174 O CYS A 754 7.900 8.338 -10.917 1.00 0.00 O ATOM 175 CB CYS A 754 5.656 9.542 -8.661 1.00 0.00 C ATOM 176 SG CYS A 754 5.620 11.157 -9.475 1.00 0.00 S ATOM 0 H CYS A 754 4.811 7.278 -8.178 1.00 0.00 H new ATOM 0 HA CYS A 754 5.432 8.602 -10.579 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.714 9.392 -8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.445 9.543 -7.909 1.00 0.00 H new ATOM 0 HG CYS A 754 6.715 11.803 -9.206 1.00 0.00 H new ATOM 182 N PHE A 755 8.060 7.736 -8.756 1.00 0.00 N ATOM 183 CA PHE A 755 9.496 7.488 -8.818 1.00 0.00 C ATOM 184 C PHE A 755 9.826 6.077 -8.340 1.00 0.00 C ATOM 185 O PHE A 755 9.194 5.559 -7.420 1.00 0.00 O ATOM 186 CB PHE A 755 10.250 8.515 -7.971 1.00 0.00 C ATOM 187 CG PHE A 755 10.021 9.934 -8.405 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.697 10.457 -9.496 1.00 0.00 C ATOM 189 CD2 PHE A 755 9.129 10.746 -7.723 1.00 0.00 C ATOM 190 CE1 PHE A 755 10.489 11.763 -9.897 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.916 12.053 -8.120 1.00 0.00 C ATOM 192 CZ PHE A 755 9.596 12.561 -9.209 1.00 0.00 C ATOM 0 H PHE A 755 7.643 7.570 -7.840 1.00 0.00 H new ATOM 0 HA PHE A 755 9.811 7.583 -9.857 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.946 8.409 -6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.317 8.298 -8.016 1.00 0.00 H new ATOM 0 HD1 PHE A 755 11.395 9.837 -10.039 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.594 10.353 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 755 11.024 12.159 -10.747 1.00 0.00 H new ATOM 0 HE2 PHE A 755 8.219 12.676 -7.579 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.430 13.581 -9.522 1.00 0.00 H new ATOM 202 N ALA A 756 10.819 5.461 -8.972 1.00 0.00 N ATOM 203 CA ALA A 756 11.234 4.111 -8.611 1.00 0.00 C ATOM 204 C ALA A 756 11.639 4.036 -7.143 1.00 0.00 C ATOM 205 O ALA A 756 12.531 4.758 -6.697 1.00 0.00 O ATOM 206 CB ALA A 756 12.381 3.656 -9.501 1.00 0.00 C ATOM 0 H ALA A 756 11.351 5.875 -9.737 1.00 0.00 H new ATOM 0 HA ALA A 756 10.385 3.444 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.681 2.646 -9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.058 3.663 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.227 4.333 -9.379 1.00 0.00 H new ATOM 212 N TYR A 757 10.979 3.158 -6.397 1.00 0.00 N ATOM 213 CA TYR A 757 11.268 2.991 -4.977 1.00 0.00 C ATOM 214 C TYR A 757 11.743 1.571 -4.682 1.00 0.00 C ATOM 215 O TYR A 757 11.372 0.622 -5.374 1.00 0.00 O ATOM 216 CB TYR A 757 10.028 3.310 -4.141 1.00 0.00 C ATOM 217 CG TYR A 757 10.328 3.547 -2.678 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.391 2.487 -1.782 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.549 4.830 -2.193 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.664 2.699 -0.444 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.824 5.051 -0.858 1.00 0.00 C ATOM 222 CZ TYR A 757 10.880 3.982 0.013 1.00 0.00 C ATOM 223 OH TYR A 757 11.154 4.197 1.344 1.00 0.00 O ATOM 0 H TYR A 757 10.240 2.551 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 757 12.065 3.685 -4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.541 4.195 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.319 2.487 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.224 1.481 -2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.505 5.669 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.708 1.864 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.994 6.055 -0.498 1.00 0.00 H new ATOM 0 HH TYR A 757 10.931 3.393 1.858 1.00 0.00 H new ATOM 233 N THR A 758 12.566 1.433 -3.647 1.00 0.00 N ATOM 234 CA THR A 758 13.093 0.131 -3.259 1.00 0.00 C ATOM 235 C THR A 758 12.949 -0.095 -1.758 1.00 0.00 C ATOM 236 O THR A 758 13.807 0.309 -0.974 1.00 0.00 O ATOM 237 CB THR A 758 14.577 -0.014 -3.648 1.00 0.00 C ATOM 238 OG1 THR A 758 14.724 0.102 -5.068 1.00 0.00 O ATOM 239 CG2 THR A 758 15.130 -1.353 -3.183 1.00 0.00 C ATOM 0 H THR A 758 12.882 2.207 -3.063 1.00 0.00 H new ATOM 0 HA THR A 758 12.510 -0.618 -3.795 1.00 0.00 H new ATOM 0 HB THR A 758 15.138 0.782 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.670 0.011 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.179 -1.433 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.043 -1.426 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.565 -2.161 -3.648 1.00 0.00 H new ATOM 247 N GLY A 759 11.858 -0.744 -1.364 1.00 0.00 N ATOM 248 CA GLY A 759 11.622 -1.013 0.043 1.00 0.00 C ATOM 249 C GLY A 759 12.862 -1.520 0.752 1.00 0.00 C ATOM 250 O GLY A 759 13.508 -2.461 0.290 1.00 0.00 O ATOM 0 H GLY A 759 11.133 -1.088 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.275 -0.102 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.825 -1.750 0.140 1.00 0.00 H new ATOM 254 N ARG A 760 13.196 -0.895 1.876 1.00 0.00 N ATOM 255 CA ARG A 760 14.368 -1.287 2.649 1.00 0.00 C ATOM 256 C ARG A 760 14.103 -2.573 3.425 1.00 0.00 C ATOM 257 O ARG A 760 14.968 -3.444 3.520 1.00 0.00 O ATOM 258 CB ARG A 760 14.766 -0.169 3.614 1.00 0.00 C ATOM 259 CG ARG A 760 15.405 1.029 2.929 1.00 0.00 C ATOM 260 CD ARG A 760 16.702 0.647 2.234 1.00 0.00 C ATOM 261 NE ARG A 760 17.456 1.819 1.799 1.00 0.00 N ATOM 262 CZ ARG A 760 18.203 2.556 2.613 1.00 0.00 C ATOM 263 NH1 ARG A 760 18.297 2.243 3.898 1.00 0.00 N ATOM 264 NH2 ARG A 760 18.860 3.609 2.142 1.00 0.00 N ATOM 0 H ARG A 760 12.671 -0.115 2.272 1.00 0.00 H new ATOM 0 HA ARG A 760 15.188 -1.466 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.881 0.163 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 760 15.461 -0.568 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 760 14.710 1.446 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 760 15.601 1.808 3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 760 17.315 0.053 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.480 0.019 1.372 1.00 0.00 H new ATOM 0 HE ARG A 760 17.406 2.086 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 760 17.795 1.434 4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 760 18.872 2.811 4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 760 18.791 3.853 1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 760 19.433 4.174 2.768 1.00 0.00 H new ATOM 278 N THR A 761 12.900 -2.686 3.980 1.00 0.00 N ATOM 279 CA THR A 761 12.521 -3.864 4.749 1.00 0.00 C ATOM 280 C THR A 761 11.234 -4.481 4.213 1.00 0.00 C ATOM 281 O THR A 761 10.539 -3.877 3.396 1.00 0.00 O ATOM 282 CB THR A 761 12.332 -3.525 6.240 1.00 0.00 C ATOM 283 OG1 THR A 761 11.266 -2.581 6.396 1.00 0.00 O ATOM 284 CG2 THR A 761 13.612 -2.955 6.832 1.00 0.00 C ATOM 0 H THR A 761 12.172 -1.975 3.911 1.00 0.00 H new ATOM 0 HA THR A 761 13.335 -4.582 4.647 1.00 0.00 H new ATOM 0 HB THR A 761 12.084 -4.444 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.151 -2.372 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.454 -2.723 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.414 -3.687 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.886 -2.045 6.298 1.00 0.00 H new ATOM 292 N ALA A 762 10.921 -5.686 4.678 1.00 0.00 N ATOM 293 CA ALA A 762 9.716 -6.382 4.247 1.00 0.00 C ATOM 294 C ALA A 762 8.509 -5.450 4.261 1.00 0.00 C ATOM 295 O ALA A 762 7.741 -5.401 3.300 1.00 0.00 O ATOM 296 CB ALA A 762 9.460 -7.593 5.132 1.00 0.00 C ATOM 0 H ALA A 762 11.486 -6.200 5.354 1.00 0.00 H new ATOM 0 HA ALA A 762 9.869 -6.721 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.556 -8.103 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.307 -8.276 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.333 -7.269 6.165 1.00 0.00 H new ATOM 302 N GLN A 763 8.348 -4.714 5.355 1.00 0.00 N ATOM 303 CA GLN A 763 7.233 -3.784 5.493 1.00 0.00 C ATOM 304 C GLN A 763 7.090 -2.916 4.247 1.00 0.00 C ATOM 305 O GLN A 763 5.999 -2.783 3.694 1.00 0.00 O ATOM 306 CB GLN A 763 7.428 -2.900 6.726 1.00 0.00 C ATOM 307 CG GLN A 763 7.285 -3.650 8.041 1.00 0.00 C ATOM 308 CD GLN A 763 5.851 -3.709 8.526 1.00 0.00 C ATOM 309 OE1 GLN A 763 4.922 -3.881 7.736 1.00 0.00 O ATOM 310 NE2 GLN A 763 5.661 -3.567 9.833 1.00 0.00 N ATOM 0 H GLN A 763 8.975 -4.743 6.159 1.00 0.00 H new ATOM 0 HA GLN A 763 6.320 -4.367 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.417 -2.444 6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.701 -2.088 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 763 7.665 -4.664 7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.901 -3.167 8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 763 6.459 -3.426 10.452 1.00 0.00 H new ATOM 0 HE22 GLN A 763 4.717 -3.599 10.217 1.00 0.00 H new ATOM 319 N GLU A 764 8.200 -2.327 3.812 1.00 0.00 N ATOM 320 CA GLU A 764 8.197 -1.471 2.632 1.00 0.00 C ATOM 321 C GLU A 764 8.219 -2.305 1.355 1.00 0.00 C ATOM 322 O GLU A 764 8.978 -3.267 1.241 1.00 0.00 O ATOM 323 CB GLU A 764 9.400 -0.526 2.658 1.00 0.00 C ATOM 324 CG GLU A 764 9.374 0.463 3.812 1.00 0.00 C ATOM 325 CD GLU A 764 10.674 1.230 3.952 1.00 0.00 C ATOM 326 OE1 GLU A 764 11.595 0.720 4.623 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.769 2.342 3.391 1.00 0.00 O ATOM 0 H GLU A 764 9.111 -2.427 4.259 1.00 0.00 H new ATOM 0 HA GLU A 764 7.280 -0.881 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.314 -1.117 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.438 0.026 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.555 1.167 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.170 -0.072 4.740 1.00 0.00 H new ATOM 334 N LEU A 765 7.379 -1.929 0.396 1.00 0.00 N ATOM 335 CA LEU A 765 7.300 -2.642 -0.875 1.00 0.00 C ATOM 336 C LEU A 765 8.285 -2.063 -1.886 1.00 0.00 C ATOM 337 O LEU A 765 8.972 -1.081 -1.606 1.00 0.00 O ATOM 338 CB LEU A 765 5.878 -2.572 -1.433 1.00 0.00 C ATOM 339 CG LEU A 765 4.836 -3.440 -0.727 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.432 -2.941 -1.029 1.00 0.00 C ATOM 341 CD2 LEU A 765 4.987 -4.897 -1.141 1.00 0.00 C ATOM 0 H LEU A 765 6.743 -1.135 0.474 1.00 0.00 H new ATOM 0 HA LEU A 765 7.563 -3.685 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.544 -1.535 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 765 5.907 -2.858 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 765 5.001 -3.369 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.704 -3.571 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.329 -1.913 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.255 -2.981 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.237 -5.500 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 765 4.849 -4.985 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 765 5.983 -5.250 -0.872 1.00 0.00 H new ATOM 353 N SER A 766 8.346 -2.677 -3.063 1.00 0.00 N ATOM 354 CA SER A 766 9.248 -2.224 -4.115 1.00 0.00 C ATOM 355 C SER A 766 8.519 -2.133 -5.453 1.00 0.00 C ATOM 356 O SER A 766 7.613 -2.917 -5.734 1.00 0.00 O ATOM 357 CB SER A 766 10.442 -3.173 -4.236 1.00 0.00 C ATOM 358 OG SER A 766 11.524 -2.548 -4.905 1.00 0.00 O ATOM 0 H SER A 766 7.782 -3.489 -3.312 1.00 0.00 H new ATOM 0 HA SER A 766 9.608 -1.230 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 766 10.759 -3.492 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 766 10.144 -4.070 -4.779 1.00 0.00 H new ATOM 0 HG SER A 766 12.275 -3.174 -4.968 1.00 0.00 H new ATOM 364 N PHE A 767 8.922 -1.169 -6.274 1.00 0.00 N ATOM 365 CA PHE A 767 8.307 -0.973 -7.582 1.00 0.00 C ATOM 366 C PHE A 767 9.062 0.083 -8.385 1.00 0.00 C ATOM 367 O PHE A 767 9.738 0.943 -7.819 1.00 0.00 O ATOM 368 CB PHE A 767 6.843 -0.558 -7.424 1.00 0.00 C ATOM 369 CG PHE A 767 6.637 0.551 -6.432 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.945 1.860 -6.764 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.138 0.284 -5.168 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.756 2.884 -5.854 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.947 1.303 -4.254 1.00 0.00 C ATOM 374 CZ PHE A 767 6.258 2.604 -4.597 1.00 0.00 C ATOM 0 H PHE A 767 9.671 -0.512 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 767 8.353 -1.918 -8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.456 -0.244 -8.393 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.260 -1.425 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.337 2.084 -7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.895 -0.732 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.997 3.901 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.555 1.082 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 767 6.112 3.401 -3.883 1.00 0.00 H new ATOM 384 N ARG A 768 8.943 0.009 -9.706 1.00 0.00 N ATOM 385 CA ARG A 768 9.616 0.956 -10.588 1.00 0.00 C ATOM 386 C ARG A 768 8.620 1.949 -11.180 1.00 0.00 C ATOM 387 O ARG A 768 7.473 1.600 -11.462 1.00 0.00 O ATOM 388 CB ARG A 768 10.341 0.214 -11.711 1.00 0.00 C ATOM 389 CG ARG A 768 11.769 -0.174 -11.363 1.00 0.00 C ATOM 390 CD ARG A 768 11.815 -1.464 -10.560 1.00 0.00 C ATOM 391 NE ARG A 768 13.186 -1.886 -10.281 1.00 0.00 N ATOM 392 CZ ARG A 768 13.927 -2.583 -11.135 1.00 0.00 C ATOM 393 NH1 ARG A 768 13.434 -2.934 -12.314 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.166 -2.930 -10.809 1.00 0.00 N ATOM 0 H ARG A 768 8.387 -0.696 -10.190 1.00 0.00 H new ATOM 0 HA ARG A 768 10.346 1.508 -9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.780 -0.686 -11.961 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.351 0.842 -12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.348 -0.293 -12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 768 12.236 0.628 -10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 768 11.280 -1.326 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 768 11.298 -2.251 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 768 13.596 -1.632 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 768 12.482 -2.669 -12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 768 14.006 -3.469 -12.967 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.549 -2.661 -9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 768 15.735 -3.465 -11.465 1.00 0.00 H new ATOM 408 N ARG A 769 9.065 3.188 -11.364 1.00 0.00 N ATOM 409 CA ARG A 769 8.213 4.231 -11.921 1.00 0.00 C ATOM 410 C ARG A 769 7.287 3.663 -12.992 1.00 0.00 C ATOM 411 O ARG A 769 7.738 3.030 -13.945 1.00 0.00 O ATOM 412 CB ARG A 769 9.066 5.355 -12.513 1.00 0.00 C ATOM 413 CG ARG A 769 8.251 6.462 -13.161 1.00 0.00 C ATOM 414 CD ARG A 769 9.117 7.664 -13.503 1.00 0.00 C ATOM 415 NE ARG A 769 9.769 7.517 -14.802 1.00 0.00 N ATOM 416 CZ ARG A 769 9.178 7.801 -15.957 1.00 0.00 C ATOM 417 NH1 ARG A 769 7.929 8.244 -15.975 1.00 0.00 N ATOM 418 NH2 ARG A 769 9.838 7.641 -17.098 1.00 0.00 N ATOM 0 H ARG A 769 10.011 3.494 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 769 7.602 4.635 -11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.684 5.784 -11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.744 4.933 -13.255 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.777 6.084 -14.067 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.451 6.768 -12.487 1.00 0.00 H new ATOM 0 HD2 ARG A 769 8.503 8.564 -13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.874 7.797 -12.730 1.00 0.00 H new ATOM 0 HE ARG A 769 10.731 7.178 -14.823 1.00 0.00 H new ATOM 0 HH11 ARG A 769 7.419 8.368 -15.100 1.00 0.00 H new ATOM 0 HH12 ARG A 769 7.478 8.461 -16.864 1.00 0.00 H new ATOM 0 HH21 ARG A 769 10.799 7.300 -17.088 1.00 0.00 H new ATOM 0 HH22 ARG A 769 9.384 7.859 -17.985 1.00 0.00 H new ATOM 432 N GLY A 770 5.988 3.895 -12.827 1.00 0.00 N ATOM 433 CA GLY A 770 5.019 3.399 -13.787 1.00 0.00 C ATOM 434 C GLY A 770 4.247 2.203 -13.266 1.00 0.00 C ATOM 435 O GLY A 770 3.050 2.069 -13.521 1.00 0.00 O ATOM 0 H GLY A 770 5.590 4.417 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.320 4.197 -14.039 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.533 3.123 -14.708 1.00 0.00 H new ATOM 439 N ASP A 771 4.932 1.331 -12.536 1.00 0.00 N ATOM 440 CA ASP A 771 4.304 0.139 -11.978 1.00 0.00 C ATOM 441 C ASP A 771 3.130 0.514 -11.079 1.00 0.00 C ATOM 442 O ASP A 771 3.308 1.152 -10.041 1.00 0.00 O ATOM 443 CB ASP A 771 5.326 -0.680 -11.188 1.00 0.00 C ATOM 444 CG ASP A 771 6.395 -1.284 -12.077 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.037 -2.035 -13.010 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.589 -1.006 -11.841 1.00 0.00 O ATOM 0 H ASP A 771 5.923 1.427 -12.316 1.00 0.00 H new ATOM 0 HA ASP A 771 3.928 -0.464 -12.804 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.797 -0.043 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.812 -1.477 -10.651 1.00 0.00 H new ATOM 451 N VAL A 772 1.929 0.115 -11.485 1.00 0.00 N ATOM 452 CA VAL A 772 0.725 0.409 -10.717 1.00 0.00 C ATOM 453 C VAL A 772 0.696 -0.386 -9.416 1.00 0.00 C ATOM 454 O VAL A 772 1.188 -1.513 -9.352 1.00 0.00 O ATOM 455 CB VAL A 772 -0.548 0.095 -11.525 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.790 0.470 -10.732 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.520 0.819 -12.863 1.00 0.00 C ATOM 0 H VAL A 772 1.764 -0.413 -12.342 1.00 0.00 H new ATOM 0 HA VAL A 772 0.748 1.475 -10.489 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.581 -0.977 -11.718 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.679 0.241 -11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.813 -0.098 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.769 1.536 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.427 0.586 -13.422 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.464 1.894 -12.694 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.351 0.496 -13.434 1.00 0.00 H new ATOM 467 N LEU A 773 0.115 0.209 -8.379 1.00 0.00 N ATOM 468 CA LEU A 773 0.021 -0.443 -7.078 1.00 0.00 C ATOM 469 C LEU A 773 -1.389 -0.322 -6.509 1.00 0.00 C ATOM 470 O LEU A 773 -1.931 0.778 -6.396 1.00 0.00 O ATOM 471 CB LEU A 773 1.030 0.168 -6.104 1.00 0.00 C ATOM 472 CG LEU A 773 2.310 0.726 -6.728 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.968 1.727 -5.791 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.274 -0.402 -7.067 1.00 0.00 C ATOM 0 H LEU A 773 -0.298 1.141 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 773 0.250 -1.500 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.536 0.971 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.307 -0.593 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 773 2.046 1.242 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.877 2.113 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.281 2.551 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.218 1.235 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.179 0.014 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.532 -0.946 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.803 -1.083 -7.776 1.00 0.00 H new ATOM 486 N ARG A 774 -1.977 -1.458 -6.150 1.00 0.00 N ATOM 487 CA ARG A 774 -3.324 -1.479 -5.591 1.00 0.00 C ATOM 488 C ARG A 774 -3.309 -1.070 -4.121 1.00 0.00 C ATOM 489 O ARG A 774 -2.731 -1.761 -3.280 1.00 0.00 O ATOM 490 CB ARG A 774 -3.939 -2.871 -5.739 1.00 0.00 C ATOM 491 CG ARG A 774 -4.703 -3.065 -7.038 1.00 0.00 C ATOM 492 CD ARG A 774 -5.147 -4.509 -7.213 1.00 0.00 C ATOM 493 NE ARG A 774 -6.077 -4.927 -6.168 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.875 -5.983 -6.273 1.00 0.00 C ATOM 495 NH1 ARG A 774 -6.856 -6.726 -7.371 1.00 0.00 N ATOM 496 NH2 ARG A 774 -7.694 -6.299 -5.278 1.00 0.00 N ATOM 0 H ARG A 774 -1.542 -2.377 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.931 -0.761 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.147 -3.617 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.612 -3.052 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.575 -2.411 -7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.074 -2.772 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -5.620 -4.627 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -4.273 -5.161 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.116 -4.377 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -6.227 -6.487 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -7.470 -7.537 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -7.711 -5.730 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -8.307 -7.110 -5.360 1.00 0.00 H new ATOM 510 N LEU A 775 -3.946 0.055 -3.818 1.00 0.00 N ATOM 511 CA LEU A 775 -4.006 0.556 -2.450 1.00 0.00 C ATOM 512 C LEU A 775 -5.144 -0.105 -1.677 1.00 0.00 C ATOM 513 O LEU A 775 -6.291 0.337 -1.742 1.00 0.00 O ATOM 514 CB LEU A 775 -4.189 2.075 -2.449 1.00 0.00 C ATOM 515 CG LEU A 775 -3.242 2.865 -3.353 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.608 4.341 -3.348 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.798 2.670 -2.913 1.00 0.00 C ATOM 0 H LEU A 775 -4.429 0.638 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.065 0.309 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.214 2.298 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.069 2.435 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.344 2.490 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.924 4.888 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.628 4.464 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.535 4.731 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.138 3.239 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.680 3.018 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.540 1.612 -2.969 1.00 0.00 H new ATOM 529 N HIS A 776 -4.817 -1.165 -0.944 1.00 0.00 N ATOM 530 CA HIS A 776 -5.811 -1.885 -0.157 1.00 0.00 C ATOM 531 C HIS A 776 -6.570 -0.933 0.763 1.00 0.00 C ATOM 532 O HIS A 776 -7.798 -0.967 0.829 1.00 0.00 O ATOM 533 CB HIS A 776 -5.140 -2.983 0.669 1.00 0.00 C ATOM 534 CG HIS A 776 -4.692 -4.157 -0.146 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.606 -5.436 0.360 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.305 -4.239 -1.441 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.184 -6.255 -0.587 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.995 -5.554 -1.690 1.00 0.00 N ATOM 0 H HIS A 776 -3.872 -1.544 -0.879 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.522 -2.341 -0.846 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.279 -2.561 1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -5.836 -3.327 1.434 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.833 -5.708 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.250 -3.423 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -4.021 -7.317 -0.478 1.00 0.00 H new ATOM 546 N GLU A 777 -5.829 -0.085 1.471 1.00 0.00 N ATOM 547 CA GLU A 777 -6.433 0.875 2.387 1.00 0.00 C ATOM 548 C GLU A 777 -5.464 2.011 2.702 1.00 0.00 C ATOM 549 O GLU A 777 -4.287 1.952 2.348 1.00 0.00 O ATOM 550 CB GLU A 777 -6.859 0.179 3.682 1.00 0.00 C ATOM 551 CG GLU A 777 -8.061 0.823 4.352 1.00 0.00 C ATOM 552 CD GLU A 777 -8.639 -0.034 5.461 1.00 0.00 C ATOM 553 OE1 GLU A 777 -8.568 -1.276 5.348 1.00 0.00 O ATOM 554 OE2 GLU A 777 -9.164 0.536 6.440 1.00 0.00 O ATOM 0 H GLU A 777 -4.811 -0.044 1.427 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.314 1.296 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.090 -0.864 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.021 0.181 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.770 1.791 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.831 1.011 3.604 1.00 0.00 H new ATOM 561 N ARG A 778 -5.969 3.044 3.368 1.00 0.00 N ATOM 562 CA ARG A 778 -5.150 4.194 3.729 1.00 0.00 C ATOM 563 C ARG A 778 -4.388 3.934 5.025 1.00 0.00 C ATOM 564 O ARG A 778 -4.764 4.427 6.088 1.00 0.00 O ATOM 565 CB ARG A 778 -6.023 5.441 3.880 1.00 0.00 C ATOM 566 CG ARG A 778 -5.230 6.710 4.149 1.00 0.00 C ATOM 567 CD ARG A 778 -4.702 7.321 2.861 1.00 0.00 C ATOM 568 NE ARG A 778 -5.645 8.273 2.280 1.00 0.00 N ATOM 569 CZ ARG A 778 -5.742 9.540 2.667 1.00 0.00 C ATOM 570 NH1 ARG A 778 -4.958 10.005 3.630 1.00 0.00 N ATOM 571 NH2 ARG A 778 -6.625 10.346 2.090 1.00 0.00 N ATOM 0 H ARG A 778 -6.942 3.108 3.668 1.00 0.00 H new ATOM 0 HA ARG A 778 -4.427 4.359 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.610 5.575 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.729 5.284 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.863 7.433 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -4.397 6.485 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.755 7.824 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.497 6.529 2.141 1.00 0.00 H new ATOM 0 HE ARG A 778 -6.263 7.947 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -4.278 9.389 4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -5.035 10.978 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -7.230 9.993 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -6.699 11.319 2.388 1.00 0.00 H new ATOM 585 N ALA A 779 -3.315 3.155 4.929 1.00 0.00 N ATOM 586 CA ALA A 779 -2.500 2.830 6.092 1.00 0.00 C ATOM 587 C ALA A 779 -2.254 4.065 6.953 1.00 0.00 C ATOM 588 O ALA A 779 -2.651 4.111 8.117 1.00 0.00 O ATOM 589 CB ALA A 779 -1.177 2.218 5.656 1.00 0.00 C ATOM 0 H ALA A 779 -2.990 2.737 4.057 1.00 0.00 H new ATOM 0 HA ALA A 779 -3.044 2.102 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.579 1.980 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.367 1.307 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.636 2.928 5.030 1.00 0.00 H new ATOM 595 N SER A 780 -1.598 5.064 6.372 1.00 0.00 N ATOM 596 CA SER A 780 -1.296 6.299 7.088 1.00 0.00 C ATOM 597 C SER A 780 -1.448 7.509 6.172 1.00 0.00 C ATOM 598 O SER A 780 -1.673 7.367 4.970 1.00 0.00 O ATOM 599 CB SER A 780 0.125 6.250 7.654 1.00 0.00 C ATOM 600 OG SER A 780 0.412 7.413 8.411 1.00 0.00 O ATOM 0 H SER A 780 -1.265 5.043 5.408 1.00 0.00 H new ATOM 0 HA SER A 780 -2.005 6.396 7.910 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.240 5.366 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 780 0.842 6.157 6.838 1.00 0.00 H new ATOM 0 HG SER A 780 1.325 7.357 8.763 1.00 0.00 H new ATOM 606 N SER A 781 -1.325 8.700 6.749 1.00 0.00 N ATOM 607 CA SER A 781 -1.453 9.936 5.987 1.00 0.00 C ATOM 608 C SER A 781 -0.329 10.062 4.963 1.00 0.00 C ATOM 609 O SER A 781 -0.474 10.741 3.946 1.00 0.00 O ATOM 610 CB SER A 781 -1.440 11.143 6.927 1.00 0.00 C ATOM 611 OG SER A 781 -0.188 11.269 7.579 1.00 0.00 O ATOM 0 H SER A 781 -1.137 8.835 7.742 1.00 0.00 H new ATOM 0 HA SER A 781 -2.404 9.909 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 781 -1.652 12.050 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 781 -2.231 11.038 7.669 1.00 0.00 H new ATOM 0 HG SER A 781 -0.205 12.049 8.172 1.00 0.00 H new ATOM 617 N ASP A 782 0.791 9.404 5.241 1.00 0.00 N ATOM 618 CA ASP A 782 1.941 9.441 4.345 1.00 0.00 C ATOM 619 C ASP A 782 2.183 8.072 3.715 1.00 0.00 C ATOM 620 O ASP A 782 2.701 7.973 2.603 1.00 0.00 O ATOM 621 CB ASP A 782 3.190 9.896 5.101 1.00 0.00 C ATOM 622 CG ASP A 782 3.370 11.401 5.070 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.437 12.118 5.486 1.00 0.00 O ATOM 624 OD2 ASP A 782 4.444 11.861 4.627 1.00 0.00 O ATOM 0 H ASP A 782 0.927 8.839 6.079 1.00 0.00 H new ATOM 0 HA ASP A 782 1.728 10.155 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.126 9.562 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.068 9.419 4.666 1.00 0.00 H new ATOM 629 N TRP A 783 1.806 7.021 4.434 1.00 0.00 N ATOM 630 CA TRP A 783 1.984 5.658 3.946 1.00 0.00 C ATOM 631 C TRP A 783 0.649 5.055 3.520 1.00 0.00 C ATOM 632 O TRP A 783 -0.411 5.502 3.956 1.00 0.00 O ATOM 633 CB TRP A 783 2.630 4.788 5.024 1.00 0.00 C ATOM 634 CG TRP A 783 4.059 5.148 5.300 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.519 5.991 6.271 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.213 4.678 4.595 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.890 6.072 6.213 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.339 5.276 5.193 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.404 3.808 3.518 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.636 5.031 4.748 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.692 3.567 3.077 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.794 4.176 3.692 1.00 0.00 C ATOM 0 H TRP A 783 1.375 7.086 5.356 1.00 0.00 H new ATOM 0 HA TRP A 783 2.641 5.692 3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.056 4.878 5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.579 3.743 4.717 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.897 6.517 6.980 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.477 6.634 6.829 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.561 3.333 3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.487 5.500 5.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.851 2.898 2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.788 3.966 3.325 1.00 0.00 H new ATOM 653 N TRP A 784 0.710 4.038 2.668 1.00 0.00 N ATOM 654 CA TRP A 784 -0.495 3.373 2.185 1.00 0.00 C ATOM 655 C TRP A 784 -0.326 1.858 2.206 1.00 0.00 C ATOM 656 O TRP A 784 0.795 1.349 2.216 1.00 0.00 O ATOM 657 CB TRP A 784 -0.827 3.842 0.768 1.00 0.00 C ATOM 658 CG TRP A 784 -1.326 5.254 0.711 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.605 6.389 0.952 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.656 5.681 0.394 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.407 7.495 0.805 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.669 7.088 0.462 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.836 5.012 0.058 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.816 7.834 0.207 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.973 5.754 -0.195 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.957 7.153 -0.120 1.00 0.00 C ATOM 0 H TRP A 784 1.580 3.656 2.298 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.317 3.637 2.850 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.064 3.754 0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.581 3.180 0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.441 6.413 1.219 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.110 8.463 0.931 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.858 3.934 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.806 8.912 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.890 5.247 -0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.863 7.705 -0.324 1.00 0.00 H new ATOM 677 N ARG A 785 -1.446 1.142 2.212 1.00 0.00 N ATOM 678 CA ARG A 785 -1.421 -0.316 2.233 1.00 0.00 C ATOM 679 C ARG A 785 -1.696 -0.884 0.844 1.00 0.00 C ATOM 680 O ARG A 785 -2.749 -0.637 0.258 1.00 0.00 O ATOM 681 CB ARG A 785 -2.453 -0.850 3.228 1.00 0.00 C ATOM 682 CG ARG A 785 -1.903 -1.040 4.632 1.00 0.00 C ATOM 683 CD ARG A 785 -0.896 -2.178 4.687 1.00 0.00 C ATOM 684 NE ARG A 785 -1.541 -3.470 4.908 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.980 -4.249 3.926 1.00 0.00 C ATOM 686 NH1 ARG A 785 -1.845 -3.870 2.663 1.00 0.00 N ATOM 687 NH2 ARG A 785 -2.556 -5.411 4.207 1.00 0.00 N ATOM 0 H ARG A 785 -2.382 1.548 2.203 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.426 -0.634 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.297 -0.162 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.836 -1.804 2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -1.429 -0.117 4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -2.723 -1.245 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -0.333 -2.209 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -0.179 -1.989 5.486 1.00 0.00 H new ATOM 0 HE ARG A 785 -1.661 -3.791 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -1.403 -2.978 2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -2.183 -4.471 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -2.662 -5.706 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -2.893 -6.009 3.452 1.00 0.00 H new ATOM 701 N GLY A 786 -0.739 -1.646 0.322 1.00 0.00 N ATOM 702 CA GLY A 786 -0.897 -2.237 -0.994 1.00 0.00 C ATOM 703 C GLY A 786 -0.203 -3.579 -1.114 1.00 0.00 C ATOM 704 O GLY A 786 0.501 -4.004 -0.199 1.00 0.00 O ATOM 0 H GLY A 786 0.142 -1.864 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -1.959 -2.360 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.497 -1.556 -1.745 1.00 0.00 H new ATOM 708 N GLU A 787 -0.403 -4.248 -2.245 1.00 0.00 N ATOM 709 CA GLU A 787 0.208 -5.551 -2.480 1.00 0.00 C ATOM 710 C GLU A 787 0.634 -5.698 -3.937 1.00 0.00 C ATOM 711 O GLU A 787 -0.204 -5.786 -4.835 1.00 0.00 O ATOM 712 CB GLU A 787 -0.767 -6.670 -2.107 1.00 0.00 C ATOM 713 CG GLU A 787 -0.460 -7.996 -2.783 1.00 0.00 C ATOM 714 CD GLU A 787 -1.551 -9.026 -2.570 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.710 -8.624 -2.336 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.246 -10.235 -2.637 1.00 0.00 O ATOM 0 H GLU A 787 -0.983 -3.909 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 787 1.095 -5.626 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.749 -6.810 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.779 -6.362 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.325 -7.832 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.482 -8.386 -2.398 1.00 0.00 H new ATOM 723 N HIS A 788 1.943 -5.724 -4.165 1.00 0.00 N ATOM 724 CA HIS A 788 2.482 -5.860 -5.514 1.00 0.00 C ATOM 725 C HIS A 788 2.584 -7.330 -5.912 1.00 0.00 C ATOM 726 O HIS A 788 2.180 -8.216 -5.160 1.00 0.00 O ATOM 727 CB HIS A 788 3.858 -5.199 -5.605 1.00 0.00 C ATOM 728 CG HIS A 788 4.156 -4.621 -6.955 1.00 0.00 C ATOM 729 ND1 HIS A 788 5.436 -4.364 -7.397 1.00 0.00 N ATOM 730 CD2 HIS A 788 3.330 -4.252 -7.962 1.00 0.00 C ATOM 731 CE1 HIS A 788 5.385 -3.861 -8.618 1.00 0.00 C ATOM 732 NE2 HIS A 788 4.118 -3.783 -8.984 1.00 0.00 N ATOM 0 H HIS A 788 2.650 -5.653 -3.434 1.00 0.00 H new ATOM 0 HA HIS A 788 1.801 -5.361 -6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 788 3.922 -4.408 -4.858 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.623 -5.935 -5.357 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.289 -4.535 -6.865 1.00 0.00 H new ATOM 0 HD2 HIS A 788 2.252 -4.315 -7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 788 6.235 -3.564 -9.215 1.00 0.00 H new ATOM 740 N ASN A 789 3.126 -7.580 -7.100 1.00 0.00 N ATOM 741 CA ASN A 789 3.279 -8.941 -7.599 1.00 0.00 C ATOM 742 C ASN A 789 4.008 -9.814 -6.582 1.00 0.00 C ATOM 743 O ASN A 789 5.237 -9.823 -6.523 1.00 0.00 O ATOM 744 CB ASN A 789 4.042 -8.938 -8.925 1.00 0.00 C ATOM 745 CG ASN A 789 5.370 -8.212 -8.827 1.00 0.00 C ATOM 746 OD1 ASN A 789 5.447 -7.107 -8.289 1.00 0.00 O ATOM 747 ND2 ASN A 789 6.422 -8.832 -9.347 1.00 0.00 N ATOM 0 H ASN A 789 3.466 -6.857 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 789 2.284 -9.356 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.216 -9.966 -9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 789 3.429 -8.466 -9.693 1.00 0.00 H new ATOM 0 HD21 ASN A 789 7.342 -8.393 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 789 6.310 -9.747 -9.783 1.00 0.00 H new ATOM 754 N GLY A 790 3.241 -10.549 -5.782 1.00 0.00 N ATOM 755 CA GLY A 790 3.831 -11.415 -4.779 1.00 0.00 C ATOM 756 C GLY A 790 4.459 -10.639 -3.639 1.00 0.00 C ATOM 757 O GLY A 790 5.269 -11.177 -2.884 1.00 0.00 O ATOM 0 H GLY A 790 2.221 -10.560 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.065 -12.081 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.588 -12.044 -5.247 1.00 0.00 H new ATOM 761 N MET A 791 4.087 -9.369 -3.514 1.00 0.00 N ATOM 762 CA MET A 791 4.621 -8.517 -2.457 1.00 0.00 C ATOM 763 C MET A 791 3.493 -7.861 -1.667 1.00 0.00 C ATOM 764 O MET A 791 2.464 -7.485 -2.229 1.00 0.00 O ATOM 765 CB MET A 791 5.534 -7.443 -3.052 1.00 0.00 C ATOM 766 CG MET A 791 6.585 -7.996 -4.000 1.00 0.00 C ATOM 767 SD MET A 791 7.113 -6.790 -5.232 1.00 0.00 S ATOM 768 CE MET A 791 8.892 -6.985 -5.156 1.00 0.00 C ATOM 0 H MET A 791 3.419 -8.907 -4.131 1.00 0.00 H new ATOM 0 HA MET A 791 5.201 -9.142 -1.778 1.00 0.00 H new ATOM 0 HB2 MET A 791 4.924 -6.714 -3.585 1.00 0.00 H new ATOM 0 HB3 MET A 791 6.032 -6.911 -2.241 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.451 -8.325 -3.425 1.00 0.00 H new ATOM 0 HG3 MET A 791 6.186 -8.875 -4.506 1.00 0.00 H new ATOM 0 HE1 MET A 791 9.363 -6.303 -5.864 1.00 0.00 H new ATOM 0 HE2 MET A 791 9.240 -6.759 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 791 9.157 -8.011 -5.410 1.00 0.00 H new ATOM 778 N ARG A 792 3.693 -7.726 -0.360 1.00 0.00 N ATOM 779 CA ARG A 792 2.693 -7.117 0.508 1.00 0.00 C ATOM 780 C ARG A 792 3.352 -6.228 1.558 1.00 0.00 C ATOM 781 O ARG A 792 4.227 -6.671 2.300 1.00 0.00 O ATOM 782 CB ARG A 792 1.855 -8.198 1.193 1.00 0.00 C ATOM 783 CG ARG A 792 1.073 -9.069 0.224 1.00 0.00 C ATOM 784 CD ARG A 792 0.206 -10.080 0.958 1.00 0.00 C ATOM 785 NE ARG A 792 0.973 -11.243 1.397 1.00 0.00 N ATOM 786 CZ ARG A 792 0.423 -12.411 1.710 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.891 -12.571 1.630 1.00 0.00 N ATOM 788 NH2 ARG A 792 1.187 -13.422 2.101 1.00 0.00 N ATOM 0 H ARG A 792 4.539 -8.031 0.121 1.00 0.00 H new ATOM 0 HA ARG A 792 2.042 -6.498 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.512 -8.832 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.159 -7.722 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.445 -8.440 -0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.765 -9.593 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.255 -9.602 1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.604 -10.405 0.305 1.00 0.00 H new ATOM 0 HE ARG A 792 1.987 -11.153 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -1.482 -11.796 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -1.311 -13.469 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 792 2.198 -13.303 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.763 -14.318 2.341 1.00 0.00 H new ATOM 802 N GLY A 793 2.926 -4.969 1.613 1.00 0.00 N ATOM 803 CA GLY A 793 3.486 -4.037 2.574 1.00 0.00 C ATOM 804 C GLY A 793 2.916 -2.641 2.427 1.00 0.00 C ATOM 805 O GLY A 793 1.847 -2.456 1.843 1.00 0.00 O ATOM 0 H GLY A 793 2.203 -4.578 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.293 -4.401 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.568 -3.999 2.451 1.00 0.00 H new ATOM 809 N LEU A 794 3.629 -1.654 2.959 1.00 0.00 N ATOM 810 CA LEU A 794 3.187 -0.265 2.886 1.00 0.00 C ATOM 811 C LEU A 794 3.614 0.374 1.568 1.00 0.00 C ATOM 812 O LEU A 794 4.272 -0.262 0.744 1.00 0.00 O ATOM 813 CB LEU A 794 3.754 0.533 4.061 1.00 0.00 C ATOM 814 CG LEU A 794 3.359 0.047 5.456 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.455 0.362 6.461 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.041 0.675 5.886 1.00 0.00 C ATOM 0 H LEU A 794 4.515 -1.789 3.445 1.00 0.00 H new ATOM 0 HA LEU A 794 2.098 -0.252 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.842 0.524 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.437 1.571 3.956 1.00 0.00 H new ATOM 0 HG LEU A 794 3.228 -1.035 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.156 0.009 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.377 -0.136 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.619 1.439 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.775 0.318 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.144 1.760 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.258 0.398 5.180 1.00 0.00 H new ATOM 828 N ILE A 795 3.239 1.634 1.379 1.00 0.00 N ATOM 829 CA ILE A 795 3.587 2.359 0.163 1.00 0.00 C ATOM 830 C ILE A 795 3.715 3.855 0.433 1.00 0.00 C ATOM 831 O ILE A 795 2.860 4.472 1.068 1.00 0.00 O ATOM 832 CB ILE A 795 2.540 2.137 -0.944 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.693 0.740 -1.549 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.673 3.204 -2.021 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.618 0.396 -2.555 1.00 0.00 C ATOM 0 H ILE A 795 2.695 2.174 2.052 1.00 0.00 H new ATOM 0 HA ILE A 795 4.548 1.969 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 795 1.546 2.215 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.668 0.667 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.678 0.002 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.926 3.033 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.519 4.188 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.669 3.156 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.790 -0.608 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.642 0.437 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.646 1.111 -3.377 1.00 0.00 H new ATOM 847 N PRO A 796 4.809 4.453 -0.061 1.00 0.00 N ATOM 848 CA PRO A 796 5.075 5.885 0.112 1.00 0.00 C ATOM 849 C PRO A 796 4.115 6.754 -0.693 1.00 0.00 C ATOM 850 O PRO A 796 4.037 6.640 -1.917 1.00 0.00 O ATOM 851 CB PRO A 796 6.505 6.045 -0.407 1.00 0.00 C ATOM 852 CG PRO A 796 6.689 4.920 -1.366 1.00 0.00 C ATOM 853 CD PRO A 796 5.870 3.779 -0.828 1.00 0.00 C ATOM 0 HA PRO A 796 4.945 6.202 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.643 7.009 -0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.229 5.994 0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.357 5.201 -2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.740 4.643 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.459 3.166 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.465 3.120 -0.197 1.00 0.00 H new ATOM 861 N HIS A 797 3.386 7.622 0.001 1.00 0.00 N ATOM 862 CA HIS A 797 2.432 8.512 -0.651 1.00 0.00 C ATOM 863 C HIS A 797 3.154 9.622 -1.409 1.00 0.00 C ATOM 864 O HIS A 797 2.530 10.411 -2.120 1.00 0.00 O ATOM 865 CB HIS A 797 1.481 9.119 0.381 1.00 0.00 C ATOM 866 CG HIS A 797 0.579 10.173 -0.182 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.758 9.958 -0.445 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.827 11.457 -0.532 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.292 11.063 -0.934 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.351 11.988 -0.996 1.00 0.00 N ATOM 0 H HIS A 797 3.438 7.728 1.014 1.00 0.00 H new ATOM 0 HA HIS A 797 1.855 7.925 -1.365 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.872 8.325 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.067 9.550 1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.775 11.969 -0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.322 11.189 -1.232 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.479 12.942 -1.334 1.00 0.00 H new ATOM 878 N LYS A 798 4.472 9.678 -1.252 1.00 0.00 N ATOM 879 CA LYS A 798 5.280 10.690 -1.922 1.00 0.00 C ATOM 880 C LYS A 798 5.756 10.194 -3.283 1.00 0.00 C ATOM 881 O LYS A 798 5.823 10.960 -4.245 1.00 0.00 O ATOM 882 CB LYS A 798 6.485 11.066 -1.055 1.00 0.00 C ATOM 883 CG LYS A 798 7.495 11.948 -1.768 1.00 0.00 C ATOM 884 CD LYS A 798 7.147 13.421 -1.626 1.00 0.00 C ATOM 885 CE LYS A 798 7.410 13.922 -0.215 1.00 0.00 C ATOM 886 NZ LYS A 798 7.566 15.403 -0.172 1.00 0.00 N ATOM 0 H LYS A 798 5.004 9.034 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 798 4.659 11.573 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.133 11.581 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.982 10.154 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.489 11.767 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.530 11.682 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 798 7.733 14.005 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 798 6.098 13.574 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 798 6.587 13.624 0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.312 13.450 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 7.744 15.705 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 8.367 15.685 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 6.696 15.854 -0.521 1.00 0.00 H new ATOM 900 N TYR A 799 6.083 8.909 -3.358 1.00 0.00 N ATOM 901 CA TYR A 799 6.553 8.311 -4.602 1.00 0.00 C ATOM 902 C TYR A 799 5.390 7.728 -5.400 1.00 0.00 C ATOM 903 O TYR A 799 5.589 6.924 -6.311 1.00 0.00 O ATOM 904 CB TYR A 799 7.584 7.219 -4.310 1.00 0.00 C ATOM 905 CG TYR A 799 8.884 7.748 -3.748 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.898 8.545 -2.611 1.00 0.00 C ATOM 907 CD2 TYR A 799 10.098 7.451 -4.356 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.083 9.031 -2.094 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.288 7.932 -3.845 1.00 0.00 C ATOM 910 CZ TYR A 799 11.276 8.722 -2.714 1.00 0.00 C ATOM 911 OH TYR A 799 12.459 9.203 -2.204 1.00 0.00 O ATOM 0 H TYR A 799 6.031 8.261 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 799 7.022 9.094 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.156 6.507 -3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.791 6.672 -5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.966 8.789 -2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.111 6.834 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.076 9.650 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.223 7.691 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 799 13.205 8.892 -2.758 1.00 0.00 H new ATOM 921 N ILE A 800 4.176 8.141 -5.051 1.00 0.00 N ATOM 922 CA ILE A 800 2.981 7.663 -5.735 1.00 0.00 C ATOM 923 C ILE A 800 1.979 8.792 -5.944 1.00 0.00 C ATOM 924 O ILE A 800 1.768 9.623 -5.060 1.00 0.00 O ATOM 925 CB ILE A 800 2.301 6.526 -4.949 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.832 7.030 -3.583 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.252 5.350 -4.789 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.425 7.585 -3.593 1.00 0.00 C ATOM 0 H ILE A 800 3.994 8.805 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 800 3.302 7.282 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 800 1.429 6.188 -5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.886 6.212 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.517 7.804 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.757 4.555 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.540 4.979 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.142 5.673 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.160 7.923 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.370 8.425 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.271 6.808 -3.909 1.00 0.00 H new ATOM 940 N THR A 801 1.360 8.816 -7.121 1.00 0.00 N ATOM 941 CA THR A 801 0.378 9.842 -7.448 1.00 0.00 C ATOM 942 C THR A 801 -1.022 9.250 -7.555 1.00 0.00 C ATOM 943 O THR A 801 -1.325 8.514 -8.495 1.00 0.00 O ATOM 944 CB THR A 801 0.726 10.552 -8.770 1.00 0.00 C ATOM 945 OG1 THR A 801 2.040 11.116 -8.692 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.284 11.647 -9.078 1.00 0.00 C ATOM 0 H THR A 801 1.522 8.136 -7.864 1.00 0.00 H new ATOM 0 HA THR A 801 0.400 10.570 -6.637 1.00 0.00 H new ATOM 0 HB THR A 801 0.695 9.815 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.254 11.564 -9.537 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.018 12.134 -10.016 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.279 11.210 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.280 12.382 -8.273 1.00 0.00 H new ATOM 954 N LEU A 802 -1.873 9.575 -6.588 1.00 0.00 N ATOM 955 CA LEU A 802 -3.243 9.074 -6.575 1.00 0.00 C ATOM 956 C LEU A 802 -4.032 9.615 -7.763 1.00 0.00 C ATOM 957 O LEU A 802 -3.727 10.674 -8.312 1.00 0.00 O ATOM 958 CB LEU A 802 -3.937 9.464 -5.268 1.00 0.00 C ATOM 959 CG LEU A 802 -3.455 8.740 -4.011 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.176 9.270 -2.781 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.664 7.239 -4.148 1.00 0.00 C ATOM 0 H LEU A 802 -1.639 10.183 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.207 7.987 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.809 10.536 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.006 9.284 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.388 8.929 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.820 8.743 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.976 10.336 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.249 9.111 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.315 6.739 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.724 7.031 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.102 6.870 -5.006 1.00 0.00 H new ATOM 973 N PRO A 803 -5.072 8.872 -8.171 1.00 0.00 N ATOM 974 CA PRO A 803 -5.928 9.259 -9.297 1.00 0.00 C ATOM 975 C PRO A 803 -6.794 10.473 -8.977 1.00 0.00 C ATOM 976 O PRO A 803 -6.964 10.835 -7.813 1.00 0.00 O ATOM 977 CB PRO A 803 -6.802 8.022 -9.519 1.00 0.00 C ATOM 978 CG PRO A 803 -6.832 7.337 -8.196 1.00 0.00 C ATOM 979 CD PRO A 803 -5.493 7.599 -7.564 1.00 0.00 C ATOM 0 HA PRO A 803 -5.345 9.549 -10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.805 8.299 -9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.384 7.375 -10.290 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.639 7.724 -7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.005 6.267 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.569 7.677 -6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.785 6.799 -7.777 1.00 0.00 H new ATOM 987 N ALA A 804 -7.338 11.096 -10.016 1.00 0.00 N ATOM 988 CA ALA A 804 -8.189 12.267 -9.845 1.00 0.00 C ATOM 989 C ALA A 804 -9.082 12.122 -8.618 1.00 0.00 C ATOM 990 O ALA A 804 -9.339 11.013 -8.152 1.00 0.00 O ATOM 991 CB ALA A 804 -9.033 12.493 -11.091 1.00 0.00 C ATOM 0 H ALA A 804 -7.205 10.810 -10.986 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.546 13.134 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -9.664 13.371 -10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -8.380 12.650 -11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -9.661 11.620 -11.268 1.00 0.00 H new ATOM 997 N GLY A 805 -9.553 13.252 -8.097 1.00 0.00 N ATOM 998 CA GLY A 805 -10.412 13.228 -6.928 1.00 0.00 C ATOM 999 C GLY A 805 -9.712 12.668 -5.706 1.00 0.00 C ATOM 1000 O GLY A 805 -10.280 11.859 -4.970 1.00 0.00 O ATOM 0 H GLY A 805 -9.355 14.183 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -10.757 14.239 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -11.296 12.628 -7.143 1.00 0.00 H new ATOM 1004 N THR A 806 -8.472 13.096 -5.487 1.00 0.00 N ATOM 1005 CA THR A 806 -7.692 12.630 -4.348 1.00 0.00 C ATOM 1006 C THR A 806 -8.385 12.967 -3.032 1.00 0.00 C ATOM 1007 O THR A 806 -8.448 12.139 -2.124 1.00 0.00 O ATOM 1008 CB THR A 806 -6.281 13.245 -4.343 1.00 0.00 C ATOM 1009 OG1 THR A 806 -6.323 14.571 -4.882 1.00 0.00 O ATOM 1010 CG2 THR A 806 -5.316 12.393 -5.155 1.00 0.00 C ATOM 0 H THR A 806 -7.987 13.765 -6.085 1.00 0.00 H new ATOM 0 HA THR A 806 -7.608 11.548 -4.445 1.00 0.00 H new ATOM 0 HB THR A 806 -5.929 13.283 -3.312 1.00 0.00 H new ATOM 0 HG1 THR A 806 -5.422 14.956 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 806 -4.325 12.848 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 806 -5.264 11.393 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 806 -5.666 12.328 -6.185 1.00 0.00 H new ATOM 1018 N GLU A 807 -8.905 14.187 -2.938 1.00 0.00 N ATOM 1019 CA GLU A 807 -9.593 14.632 -1.732 1.00 0.00 C ATOM 1020 C GLU A 807 -10.926 15.289 -2.078 1.00 0.00 C ATOM 1021 O GLU A 807 -11.923 15.104 -1.380 1.00 0.00 O ATOM 1022 CB GLU A 807 -8.717 15.613 -0.951 1.00 0.00 C ATOM 1023 CG GLU A 807 -8.291 16.827 -1.759 1.00 0.00 C ATOM 1024 CD GLU A 807 -7.868 17.992 -0.884 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -7.461 17.749 0.271 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -7.944 19.146 -1.356 1.00 0.00 O ATOM 0 H GLU A 807 -8.863 14.884 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 807 -9.788 13.757 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -9.260 15.948 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -7.827 15.091 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -7.465 16.551 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -9.115 17.140 -2.400 1.00 0.00 H new ATOM 1033 N LYS A 808 -10.936 16.059 -3.161 1.00 0.00 N ATOM 1034 CA LYS A 808 -12.145 16.744 -3.602 1.00 0.00 C ATOM 1035 C LYS A 808 -13.137 15.759 -4.212 1.00 0.00 C ATOM 1036 O LYS A 808 -12.745 14.807 -4.886 1.00 0.00 O ATOM 1037 CB LYS A 808 -11.798 17.831 -4.622 1.00 0.00 C ATOM 1038 CG LYS A 808 -12.851 18.920 -4.734 1.00 0.00 C ATOM 1039 CD LYS A 808 -12.570 19.849 -5.903 1.00 0.00 C ATOM 1040 CE LYS A 808 -13.119 19.287 -7.206 1.00 0.00 C ATOM 1041 NZ LYS A 808 -14.543 19.668 -7.418 1.00 0.00 N ATOM 0 H LYS A 808 -10.120 16.224 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 808 -12.608 17.207 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -10.846 18.285 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -11.660 17.369 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -13.834 18.466 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -12.880 19.496 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -13.016 20.824 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -11.495 20.003 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -12.518 19.650 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -13.031 18.201 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -14.880 19.266 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -15.121 19.300 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -14.624 20.704 -7.451 1.00 0.00 H new ATOM 1055 N GLN A 809 -14.423 15.995 -3.971 1.00 0.00 N ATOM 1056 CA GLN A 809 -15.470 15.128 -4.498 1.00 0.00 C ATOM 1057 C GLN A 809 -16.407 15.903 -5.418 1.00 0.00 C ATOM 1058 O GLN A 809 -16.299 17.123 -5.547 1.00 0.00 O ATOM 1059 CB GLN A 809 -16.266 14.500 -3.352 1.00 0.00 C ATOM 1060 CG GLN A 809 -17.073 15.507 -2.548 1.00 0.00 C ATOM 1061 CD GLN A 809 -18.353 15.920 -3.247 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -18.999 15.112 -3.914 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -18.727 17.186 -3.098 1.00 0.00 N ATOM 0 H GLN A 809 -14.764 16.779 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 809 -14.994 14.337 -5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -16.942 13.748 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -15.578 13.982 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -17.316 15.079 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -16.463 16.391 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -18.161 17.822 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -19.580 17.522 -3.546 1.00 0.00 H new ATOM 1072 N VAL A 810 -17.327 15.187 -6.058 1.00 0.00 N ATOM 1073 CA VAL A 810 -18.284 15.808 -6.966 1.00 0.00 C ATOM 1074 C VAL A 810 -19.643 15.122 -6.885 1.00 0.00 C ATOM 1075 O VAL A 810 -19.728 13.909 -6.689 1.00 0.00 O ATOM 1076 CB VAL A 810 -17.785 15.764 -8.422 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -17.740 14.331 -8.929 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -18.666 16.626 -9.313 1.00 0.00 C ATOM 0 H VAL A 810 -17.429 14.177 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 810 -18.386 16.848 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 810 -16.772 16.166 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -17.385 14.321 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -17.063 13.746 -8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -18.739 13.898 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -18.299 16.583 -10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -19.691 16.256 -9.279 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -18.641 17.657 -8.961 1.00 0.00 H new ATOM 1088 N VAL A 811 -20.705 15.905 -7.039 1.00 0.00 N ATOM 1089 CA VAL A 811 -22.062 15.374 -6.985 1.00 0.00 C ATOM 1090 C VAL A 811 -22.693 15.338 -8.373 1.00 0.00 C ATOM 1091 O VAL A 811 -22.560 16.281 -9.151 1.00 0.00 O ATOM 1092 CB VAL A 811 -22.955 16.208 -6.048 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -23.053 17.643 -6.541 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -24.336 15.580 -5.931 1.00 0.00 C ATOM 0 H VAL A 811 -20.652 16.910 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 811 -21.989 14.359 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 811 -22.501 16.220 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -23.688 18.217 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -22.058 18.087 -6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -23.483 17.655 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -24.954 16.182 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -24.800 15.536 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -24.244 14.572 -5.528 1.00 0.00 H new ATOM 1104 N GLY A 812 -23.383 14.242 -8.675 1.00 0.00 N ATOM 1105 CA GLY A 812 -24.026 14.103 -9.969 1.00 0.00 C ATOM 1106 C GLY A 812 -23.078 13.590 -11.035 1.00 0.00 C ATOM 1107 O GLY A 812 -22.790 12.396 -11.095 1.00 0.00 O ATOM 0 H GLY A 812 -23.508 13.448 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -24.871 13.421 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -24.427 15.068 -10.278 1.00 0.00 H new ATOM 1111 N ALA A 813 -22.595 14.495 -11.879 1.00 0.00 N ATOM 1112 CA ALA A 813 -21.674 14.128 -12.948 1.00 0.00 C ATOM 1113 C ALA A 813 -20.628 15.215 -13.169 1.00 0.00 C ATOM 1114 O ALA A 813 -20.933 16.405 -13.114 1.00 0.00 O ATOM 1115 CB ALA A 813 -22.440 13.860 -14.235 1.00 0.00 C ATOM 0 H ALA A 813 -22.826 15.488 -11.844 1.00 0.00 H new ATOM 0 HA ALA A 813 -21.155 13.217 -12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 813 -21.740 13.587 -15.025 1.00 0.00 H new ATOM 0 HB2 ALA A 813 -23.144 13.043 -14.076 1.00 0.00 H new ATOM 0 HB3 ALA A 813 -22.985 14.757 -14.528 1.00 0.00 H new ATOM 1121 N GLY A 814 -19.390 14.797 -13.420 1.00 0.00 N ATOM 1122 CA GLY A 814 -18.317 15.747 -13.645 1.00 0.00 C ATOM 1123 C GLY A 814 -16.946 15.119 -13.499 1.00 0.00 C ATOM 1124 O GLY A 814 -15.947 15.681 -13.948 1.00 0.00 O ATOM 0 H GLY A 814 -19.112 13.817 -13.471 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -18.415 16.170 -14.645 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -18.412 16.572 -12.939 1.00 0.00 H new TER 1128 GLY A 814