USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 799 TYR OH : rot 180:sc= 0 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 -15:sc= 0.522 USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 754 CYS SG : rot -99:sc= 1.19 USER MOD Single : A 757 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot -80:sc= -0.132! USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 766 SER OG : rot 180:sc= 0.316 USER MOD Single : A 776 HIS : no HE2:sc= -3.19! K(o=-3.2!,f=-1.3) USER MOD Single : A 780 SER OG : rot 180:sc= -0.256 USER MOD Single : A 781 SER OG : rot 180:sc= 0 USER MOD Single : A 788 HIS : no HE2:sc= -4.31! K(o=-4.3!,f=-2.9) USER MOD Single : A 789 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.48) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= 0.253 K(o=0.25,f=-3!) USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 THR OG1 : rot 62:sc= 0.654 USER MOD Single : A 808 LYS NZ :NH3+ -157:sc= -0.061 (180deg=-0.695) USER MOD Single : A 809 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 739 -14.864 8.207 -23.317 1.00 0.00 N ATOM 2 CA GLY A 739 -15.943 7.260 -23.107 1.00 0.00 C ATOM 3 C GLY A 739 -16.953 7.748 -22.087 1.00 0.00 C ATOM 4 O GLY A 739 -16.607 8.488 -21.166 1.00 0.00 O ATOM 0 HA2 GLY A 739 -16.449 7.074 -24.055 1.00 0.00 H new ATOM 0 HA3 GLY A 739 -15.528 6.308 -22.776 1.00 0.00 H new ATOM 8 N SER A 740 -18.205 7.334 -22.252 1.00 0.00 N ATOM 9 CA SER A 740 -19.270 7.739 -21.342 1.00 0.00 C ATOM 10 C SER A 740 -19.475 6.695 -20.247 1.00 0.00 C ATOM 11 O SER A 740 -19.568 7.028 -19.066 1.00 0.00 O ATOM 12 CB SER A 740 -20.575 7.950 -22.111 1.00 0.00 C ATOM 13 OG SER A 740 -20.563 9.184 -22.807 1.00 0.00 O ATOM 0 H SER A 740 -18.507 6.718 -23.007 1.00 0.00 H new ATOM 0 HA SER A 740 -18.976 8.679 -20.874 1.00 0.00 H new ATOM 0 HB2 SER A 740 -20.721 7.132 -22.817 1.00 0.00 H new ATOM 0 HB3 SER A 740 -21.416 7.928 -21.419 1.00 0.00 H new ATOM 0 HG SER A 740 -21.407 9.294 -23.292 1.00 0.00 H new ATOM 19 N SER A 741 -19.543 5.430 -20.650 1.00 0.00 N ATOM 20 CA SER A 741 -19.740 4.337 -19.706 1.00 0.00 C ATOM 21 C SER A 741 -18.578 3.350 -19.767 1.00 0.00 C ATOM 22 O SER A 741 -18.195 2.891 -20.842 1.00 0.00 O ATOM 23 CB SER A 741 -21.055 3.613 -19.999 1.00 0.00 C ATOM 24 OG SER A 741 -22.167 4.460 -19.766 1.00 0.00 O ATOM 0 H SER A 741 -19.465 5.137 -21.624 1.00 0.00 H new ATOM 0 HA SER A 741 -19.782 4.760 -18.702 1.00 0.00 H new ATOM 0 HB2 SER A 741 -21.064 3.273 -21.035 1.00 0.00 H new ATOM 0 HB3 SER A 741 -21.132 2.725 -19.371 1.00 0.00 H new ATOM 0 HG SER A 741 -22.995 3.974 -19.962 1.00 0.00 H new ATOM 30 N GLY A 742 -18.021 3.028 -18.603 1.00 0.00 N ATOM 31 CA GLY A 742 -16.909 2.097 -18.546 1.00 0.00 C ATOM 32 C GLY A 742 -17.183 0.922 -17.628 1.00 0.00 C ATOM 33 O GLY A 742 -17.746 -0.087 -18.052 1.00 0.00 O ATOM 0 H GLY A 742 -18.320 3.395 -17.699 1.00 0.00 H new ATOM 0 HA2 GLY A 742 -16.696 1.728 -19.549 1.00 0.00 H new ATOM 0 HA3 GLY A 742 -16.017 2.622 -18.203 1.00 0.00 H new ATOM 37 N SER A 743 -16.782 1.052 -16.368 1.00 0.00 N ATOM 38 CA SER A 743 -16.982 -0.010 -15.389 1.00 0.00 C ATOM 39 C SER A 743 -16.816 0.522 -13.968 1.00 0.00 C ATOM 40 O SER A 743 -16.171 1.547 -13.749 1.00 0.00 O ATOM 41 CB SER A 743 -15.996 -1.154 -15.636 1.00 0.00 C ATOM 42 OG SER A 743 -16.147 -1.683 -16.942 1.00 0.00 O ATOM 0 H SER A 743 -16.317 1.882 -16.001 1.00 0.00 H new ATOM 0 HA SER A 743 -17.999 -0.386 -15.501 1.00 0.00 H new ATOM 0 HB2 SER A 743 -14.976 -0.795 -15.501 1.00 0.00 H new ATOM 0 HB3 SER A 743 -16.156 -1.942 -14.900 1.00 0.00 H new ATOM 0 HG SER A 743 -16.995 -1.374 -17.324 1.00 0.00 H new ATOM 48 N SER A 744 -17.402 -0.184 -13.007 1.00 0.00 N ATOM 49 CA SER A 744 -17.322 0.217 -11.607 1.00 0.00 C ATOM 50 C SER A 744 -16.463 -0.759 -10.810 1.00 0.00 C ATOM 51 O SER A 744 -16.432 -1.954 -11.097 1.00 0.00 O ATOM 52 CB SER A 744 -18.723 0.297 -10.997 1.00 0.00 C ATOM 53 OG SER A 744 -19.187 -0.986 -10.615 1.00 0.00 O ATOM 0 H SER A 744 -17.937 -1.036 -13.172 1.00 0.00 H new ATOM 0 HA SER A 744 -16.857 1.202 -11.563 1.00 0.00 H new ATOM 0 HB2 SER A 744 -18.708 0.955 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 744 -19.412 0.737 -11.718 1.00 0.00 H new ATOM 0 HG SER A 744 -20.083 -0.907 -10.227 1.00 0.00 H new ATOM 59 N GLY A 745 -15.765 -0.239 -9.804 1.00 0.00 N ATOM 60 CA GLY A 745 -14.914 -1.077 -8.980 1.00 0.00 C ATOM 61 C GLY A 745 -14.636 -0.463 -7.622 1.00 0.00 C ATOM 62 O GLY A 745 -13.518 -0.547 -7.114 1.00 0.00 O ATOM 0 H GLY A 745 -15.774 0.748 -9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 745 -15.388 -2.050 -8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 745 -13.970 -1.251 -9.497 1.00 0.00 H new ATOM 66 N GLU A 746 -15.654 0.158 -7.035 1.00 0.00 N ATOM 67 CA GLU A 746 -15.511 0.791 -5.729 1.00 0.00 C ATOM 68 C GLU A 746 -14.829 -0.150 -4.740 1.00 0.00 C ATOM 69 O GLU A 746 -14.836 -1.367 -4.918 1.00 0.00 O ATOM 70 CB GLU A 746 -16.880 1.211 -5.189 1.00 0.00 C ATOM 71 CG GLU A 746 -17.702 0.053 -4.648 1.00 0.00 C ATOM 72 CD GLU A 746 -18.116 -0.925 -5.730 1.00 0.00 C ATOM 73 OE1 GLU A 746 -19.104 -0.642 -6.439 1.00 0.00 O ATOM 74 OE2 GLU A 746 -17.452 -1.973 -5.869 1.00 0.00 O ATOM 0 H GLU A 746 -16.586 0.236 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 746 -14.888 1.677 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 746 -16.739 1.947 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 746 -17.440 1.703 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 746 -17.124 -0.474 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 746 -18.593 0.443 -4.156 1.00 0.00 H new ATOM 81 N GLY A 747 -14.238 0.425 -3.697 1.00 0.00 N ATOM 82 CA GLY A 747 -13.559 -0.376 -2.695 1.00 0.00 C ATOM 83 C GLY A 747 -12.063 -0.133 -2.675 1.00 0.00 C ATOM 84 O GLY A 747 -11.548 0.546 -1.787 1.00 0.00 O ATOM 0 H GLY A 747 -14.217 1.431 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -13.974 -0.151 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.750 -1.432 -2.888 1.00 0.00 H new ATOM 88 N VAL A 748 -11.361 -0.690 -3.657 1.00 0.00 N ATOM 89 CA VAL A 748 -9.915 -0.531 -3.749 1.00 0.00 C ATOM 90 C VAL A 748 -9.540 0.461 -4.844 1.00 0.00 C ATOM 91 O VAL A 748 -10.181 0.516 -5.894 1.00 0.00 O ATOM 92 CB VAL A 748 -9.219 -1.876 -4.030 1.00 0.00 C ATOM 93 CG1 VAL A 748 -7.714 -1.685 -4.148 1.00 0.00 C ATOM 94 CG2 VAL A 748 -9.553 -2.886 -2.943 1.00 0.00 C ATOM 0 H VAL A 748 -11.771 -1.256 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 748 -9.577 -0.150 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 748 -9.587 -2.264 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 748 -7.240 -2.646 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 748 -7.497 -0.998 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 748 -7.325 -1.274 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 748 -9.053 -3.830 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 748 -9.215 -2.507 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 748 -10.631 -3.045 -2.913 1.00 0.00 H new ATOM 104 N VAL A 749 -8.496 1.245 -4.593 1.00 0.00 N ATOM 105 CA VAL A 749 -8.034 2.236 -5.558 1.00 0.00 C ATOM 106 C VAL A 749 -6.701 1.823 -6.172 1.00 0.00 C ATOM 107 O VAL A 749 -5.923 1.094 -5.558 1.00 0.00 O ATOM 108 CB VAL A 749 -7.880 3.623 -4.907 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.200 4.589 -5.866 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.234 4.159 -4.469 1.00 0.00 C ATOM 0 H VAL A 749 -7.954 1.213 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 749 -8.790 2.293 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.251 3.523 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.099 5.564 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.212 4.209 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.801 4.687 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.106 5.140 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.889 4.246 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.679 3.476 -3.745 1.00 0.00 H new ATOM 120 N GLU A 750 -6.444 2.296 -7.388 1.00 0.00 N ATOM 121 CA GLU A 750 -5.205 1.976 -8.085 1.00 0.00 C ATOM 122 C GLU A 750 -4.388 3.237 -8.349 1.00 0.00 C ATOM 123 O GLU A 750 -4.882 4.198 -8.938 1.00 0.00 O ATOM 124 CB GLU A 750 -5.506 1.264 -9.406 1.00 0.00 C ATOM 125 CG GLU A 750 -5.713 -0.233 -9.257 1.00 0.00 C ATOM 126 CD GLU A 750 -6.463 -0.838 -10.428 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.871 -0.935 -11.524 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.640 -1.214 -10.250 1.00 0.00 O ATOM 0 H GLU A 750 -7.077 2.902 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.621 1.312 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.399 1.703 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.684 1.441 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.744 -0.722 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.263 -0.430 -8.337 1.00 0.00 H new ATOM 135 N ALA A 751 -3.134 3.226 -7.909 1.00 0.00 N ATOM 136 CA ALA A 751 -2.247 4.367 -8.099 1.00 0.00 C ATOM 137 C ALA A 751 -1.015 3.977 -8.908 1.00 0.00 C ATOM 138 O ALA A 751 -0.662 2.800 -8.992 1.00 0.00 O ATOM 139 CB ALA A 751 -1.835 4.945 -6.752 1.00 0.00 C ATOM 0 H ALA A 751 -2.709 2.439 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.790 5.128 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.173 5.796 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.722 5.271 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.315 4.182 -6.173 1.00 0.00 H new ATOM 145 N VAL A 752 -0.364 4.971 -9.503 1.00 0.00 N ATOM 146 CA VAL A 752 0.829 4.732 -10.306 1.00 0.00 C ATOM 147 C VAL A 752 2.076 5.267 -9.610 1.00 0.00 C ATOM 148 O VAL A 752 2.012 6.243 -8.864 1.00 0.00 O ATOM 149 CB VAL A 752 0.711 5.383 -11.696 1.00 0.00 C ATOM 150 CG1 VAL A 752 1.994 5.188 -12.489 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.483 4.817 -12.449 1.00 0.00 C ATOM 0 H VAL A 752 -0.643 5.950 -9.444 1.00 0.00 H new ATOM 0 HA VAL A 752 0.918 3.652 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 752 0.554 6.454 -11.564 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.891 5.655 -13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.826 5.647 -11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.186 4.122 -12.614 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.551 5.288 -13.429 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.359 3.741 -12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.395 5.016 -11.887 1.00 0.00 H new ATOM 161 N ALA A 753 3.210 4.622 -9.861 1.00 0.00 N ATOM 162 CA ALA A 753 4.473 5.034 -9.262 1.00 0.00 C ATOM 163 C ALA A 753 5.143 6.126 -10.089 1.00 0.00 C ATOM 164 O ALA A 753 5.623 5.874 -11.195 1.00 0.00 O ATOM 165 CB ALA A 753 5.402 3.838 -9.112 1.00 0.00 C ATOM 0 H ALA A 753 3.280 3.811 -10.476 1.00 0.00 H new ATOM 0 HA ALA A 753 4.261 5.442 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.341 4.161 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.932 3.091 -8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.598 3.405 -10.093 1.00 0.00 H new ATOM 171 N CYS A 754 5.171 7.339 -9.547 1.00 0.00 N ATOM 172 CA CYS A 754 5.781 8.470 -10.236 1.00 0.00 C ATOM 173 C CYS A 754 7.301 8.344 -10.250 1.00 0.00 C ATOM 174 O CYS A 754 7.961 8.761 -11.202 1.00 0.00 O ATOM 175 CB CYS A 754 5.372 9.783 -9.566 1.00 0.00 C ATOM 176 SG CYS A 754 5.649 11.250 -10.586 1.00 0.00 S ATOM 0 H CYS A 754 4.778 7.564 -8.633 1.00 0.00 H new ATOM 0 HA CYS A 754 5.426 8.470 -11.266 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.315 9.731 -9.303 1.00 0.00 H new ATOM 0 HB3 CYS A 754 5.927 9.891 -8.634 1.00 0.00 H new ATOM 0 HG CYS A 754 6.757 11.826 -10.226 1.00 0.00 H new ATOM 182 N PHE A 755 7.851 7.767 -9.186 1.00 0.00 N ATOM 183 CA PHE A 755 9.293 7.588 -9.074 1.00 0.00 C ATOM 184 C PHE A 755 9.629 6.196 -8.545 1.00 0.00 C ATOM 185 O PHE A 755 8.816 5.564 -7.872 1.00 0.00 O ATOM 186 CB PHE A 755 9.891 8.654 -8.154 1.00 0.00 C ATOM 187 CG PHE A 755 9.366 10.036 -8.418 1.00 0.00 C ATOM 188 CD1 PHE A 755 9.594 10.657 -9.636 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.644 10.714 -7.449 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.113 11.929 -9.881 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.160 11.987 -7.689 1.00 0.00 C ATOM 192 CZ PHE A 755 8.394 12.594 -8.907 1.00 0.00 C ATOM 0 H PHE A 755 7.319 7.416 -8.390 1.00 0.00 H new ATOM 0 HA PHE A 755 9.725 7.693 -10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.683 8.387 -7.118 1.00 0.00 H new ATOM 0 HB3 PHE A 755 10.975 8.657 -8.271 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.154 10.141 -10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.457 10.243 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 755 9.299 12.403 -10.833 1.00 0.00 H new ATOM 0 HE2 PHE A 755 7.600 12.506 -6.925 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.015 13.587 -9.098 1.00 0.00 H new ATOM 202 N ALA A 756 10.833 5.727 -8.854 1.00 0.00 N ATOM 203 CA ALA A 756 11.278 4.412 -8.409 1.00 0.00 C ATOM 204 C ALA A 756 11.551 4.404 -6.909 1.00 0.00 C ATOM 205 O ALA A 756 12.229 5.288 -6.386 1.00 0.00 O ATOM 206 CB ALA A 756 12.522 3.988 -9.176 1.00 0.00 C ATOM 0 H ALA A 756 11.518 6.238 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 756 10.479 3.698 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.843 3.004 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.296 3.945 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.320 4.710 -9.003 1.00 0.00 H new ATOM 212 N TYR A 757 11.018 3.400 -6.221 1.00 0.00 N ATOM 213 CA TYR A 757 11.201 3.279 -4.779 1.00 0.00 C ATOM 214 C TYR A 757 11.710 1.889 -4.410 1.00 0.00 C ATOM 215 O TYR A 757 11.548 0.933 -5.169 1.00 0.00 O ATOM 216 CB TYR A 757 9.887 3.563 -4.051 1.00 0.00 C ATOM 217 CG TYR A 757 10.019 3.574 -2.545 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.411 4.724 -1.871 1.00 0.00 C ATOM 219 CD2 TYR A 757 9.753 2.434 -1.796 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.534 4.739 -0.495 1.00 0.00 C ATOM 221 CE2 TYR A 757 9.872 2.440 -0.420 1.00 0.00 C ATOM 222 CZ TYR A 757 10.263 3.595 0.226 1.00 0.00 C ATOM 223 OH TYR A 757 10.384 3.604 1.597 1.00 0.00 O ATOM 0 H TYR A 757 10.456 2.658 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 757 11.945 4.013 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.500 4.527 -4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.153 2.810 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.623 5.622 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 757 9.448 1.528 -2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 757 10.841 5.641 0.013 1.00 0.00 H new ATOM 0 HE2 TYR A 757 9.660 1.546 0.147 1.00 0.00 H new ATOM 0 HH TYR A 757 10.156 2.719 1.951 1.00 0.00 H new ATOM 233 N THR A 758 12.327 1.784 -3.237 1.00 0.00 N ATOM 234 CA THR A 758 12.860 0.512 -2.765 1.00 0.00 C ATOM 235 C THR A 758 12.622 0.337 -1.270 1.00 0.00 C ATOM 236 O THR A 758 13.259 0.995 -0.448 1.00 0.00 O ATOM 237 CB THR A 758 14.370 0.396 -3.050 1.00 0.00 C ATOM 238 OG1 THR A 758 14.612 0.501 -4.457 1.00 0.00 O ATOM 239 CG2 THR A 758 14.918 -0.925 -2.533 1.00 0.00 C ATOM 0 H THR A 758 12.470 2.565 -2.596 1.00 0.00 H new ATOM 0 HA THR A 758 12.333 -0.273 -3.308 1.00 0.00 H new ATOM 0 HB THR A 758 14.879 1.209 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.574 0.428 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 758 15.985 -0.984 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 758 14.758 -0.989 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.404 -1.750 -3.026 1.00 0.00 H new ATOM 247 N GLY A 759 11.700 -0.556 -0.923 1.00 0.00 N ATOM 248 CA GLY A 759 11.394 -0.803 0.474 1.00 0.00 C ATOM 249 C GLY A 759 12.624 -1.169 1.281 1.00 0.00 C ATOM 250 O GLY A 759 13.448 -1.970 0.840 1.00 0.00 O ATOM 0 H GLY A 759 11.159 -1.113 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.932 0.086 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.663 -1.609 0.546 1.00 0.00 H new ATOM 254 N ARG A 760 12.750 -0.580 2.466 1.00 0.00 N ATOM 255 CA ARG A 760 13.890 -0.846 3.334 1.00 0.00 C ATOM 256 C ARG A 760 13.716 -2.174 4.068 1.00 0.00 C ATOM 257 O ARG A 760 14.662 -2.950 4.202 1.00 0.00 O ATOM 258 CB ARG A 760 14.064 0.288 4.346 1.00 0.00 C ATOM 259 CG ARG A 760 14.612 1.568 3.737 1.00 0.00 C ATOM 260 CD ARG A 760 15.969 1.341 3.089 1.00 0.00 C ATOM 261 NE ARG A 760 16.692 2.592 2.879 1.00 0.00 N ATOM 262 CZ ARG A 760 17.153 3.349 3.868 1.00 0.00 C ATOM 263 NH1 ARG A 760 16.967 2.983 5.129 1.00 0.00 N ATOM 264 NH2 ARG A 760 17.802 4.474 3.597 1.00 0.00 N ATOM 0 H ARG A 760 12.076 0.085 2.847 1.00 0.00 H new ATOM 0 HA ARG A 760 14.782 -0.908 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.101 0.500 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.735 -0.043 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 760 13.911 1.947 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.700 2.331 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 760 16.565 0.679 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 760 15.834 0.836 2.133 1.00 0.00 H new ATOM 0 HE ARG A 760 16.852 2.901 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 760 16.469 2.118 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 760 17.322 3.566 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 760 17.947 4.758 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 760 18.156 5.055 4.357 1.00 0.00 H new ATOM 278 N THR A 761 12.500 -2.427 4.541 1.00 0.00 N ATOM 279 CA THR A 761 12.202 -3.659 5.262 1.00 0.00 C ATOM 280 C THR A 761 11.063 -4.423 4.597 1.00 0.00 C ATOM 281 O THR A 761 10.436 -3.930 3.661 1.00 0.00 O ATOM 282 CB THR A 761 11.827 -3.374 6.729 1.00 0.00 C ATOM 283 OG1 THR A 761 10.620 -2.607 6.786 1.00 0.00 O ATOM 284 CG2 THR A 761 12.945 -2.625 7.438 1.00 0.00 C ATOM 0 H THR A 761 11.706 -1.796 4.438 1.00 0.00 H new ATOM 0 HA THR A 761 13.106 -4.267 5.237 1.00 0.00 H new ATOM 0 HB THR A 761 11.674 -4.328 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 761 10.823 -1.665 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 761 12.657 -2.435 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 761 13.854 -3.226 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.126 -1.677 6.932 1.00 0.00 H new ATOM 292 N ALA A 762 10.801 -5.630 5.088 1.00 0.00 N ATOM 293 CA ALA A 762 9.736 -6.462 4.542 1.00 0.00 C ATOM 294 C ALA A 762 8.417 -5.698 4.487 1.00 0.00 C ATOM 295 O ALA A 762 7.668 -5.805 3.517 1.00 0.00 O ATOM 296 CB ALA A 762 9.579 -7.729 5.369 1.00 0.00 C ATOM 0 H ALA A 762 11.312 -6.053 5.863 1.00 0.00 H new ATOM 0 HA ALA A 762 10.010 -6.738 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.780 -8.341 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.513 -8.291 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.332 -7.464 6.397 1.00 0.00 H new ATOM 302 N GLN A 763 8.141 -4.927 5.535 1.00 0.00 N ATOM 303 CA GLN A 763 6.911 -4.147 5.605 1.00 0.00 C ATOM 304 C GLN A 763 6.745 -3.280 4.361 1.00 0.00 C ATOM 305 O GLN A 763 5.663 -3.217 3.778 1.00 0.00 O ATOM 306 CB GLN A 763 6.910 -3.268 6.857 1.00 0.00 C ATOM 307 CG GLN A 763 6.672 -4.043 8.143 1.00 0.00 C ATOM 308 CD GLN A 763 6.003 -3.204 9.214 1.00 0.00 C ATOM 309 OE1 GLN A 763 6.170 -1.985 9.259 1.00 0.00 O ATOM 310 NE2 GLN A 763 5.238 -3.854 10.084 1.00 0.00 N ATOM 0 H GLN A 763 8.752 -4.826 6.346 1.00 0.00 H new ATOM 0 HA GLN A 763 6.073 -4.842 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 763 7.866 -2.748 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.139 -2.505 6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 763 6.052 -4.914 7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.625 -4.415 8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 763 5.127 -4.865 10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 763 4.761 -3.342 10.826 1.00 0.00 H new ATOM 319 N GLU A 764 7.823 -2.613 3.962 1.00 0.00 N ATOM 320 CA GLU A 764 7.795 -1.749 2.788 1.00 0.00 C ATOM 321 C GLU A 764 7.917 -2.568 1.506 1.00 0.00 C ATOM 322 O GLU A 764 8.443 -3.682 1.516 1.00 0.00 O ATOM 323 CB GLU A 764 8.925 -0.719 2.858 1.00 0.00 C ATOM 324 CG GLU A 764 8.828 0.211 4.056 1.00 0.00 C ATOM 325 CD GLU A 764 9.459 -0.376 5.303 1.00 0.00 C ATOM 326 OE1 GLU A 764 10.702 -0.337 5.413 1.00 0.00 O ATOM 327 OE2 GLU A 764 8.710 -0.876 6.169 1.00 0.00 O ATOM 0 H GLU A 764 8.726 -2.654 4.434 1.00 0.00 H new ATOM 0 HA GLU A 764 6.838 -1.227 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.881 -1.242 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.919 -0.123 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.315 1.156 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.780 0.434 4.254 1.00 0.00 H new ATOM 334 N LEU A 765 7.428 -2.009 0.405 1.00 0.00 N ATOM 335 CA LEU A 765 7.481 -2.687 -0.885 1.00 0.00 C ATOM 336 C LEU A 765 8.496 -2.020 -1.809 1.00 0.00 C ATOM 337 O LEU A 765 9.079 -0.991 -1.467 1.00 0.00 O ATOM 338 CB LEU A 765 6.099 -2.685 -1.542 1.00 0.00 C ATOM 339 CG LEU A 765 5.047 -3.584 -0.892 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.661 -3.252 -1.422 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.375 -5.050 -1.134 1.00 0.00 C ATOM 0 H LEU A 765 6.990 -1.088 0.380 1.00 0.00 H new ATOM 0 HA LEU A 765 7.794 -3.717 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.722 -1.662 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.213 -2.987 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 765 5.056 -3.403 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.925 -3.902 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.425 -2.212 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.638 -3.404 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.616 -5.675 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.394 -5.246 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.350 -5.280 -0.705 1.00 0.00 H new ATOM 353 N SER A 766 8.700 -2.613 -2.981 1.00 0.00 N ATOM 354 CA SER A 766 9.646 -2.078 -3.954 1.00 0.00 C ATOM 355 C SER A 766 9.064 -2.131 -5.363 1.00 0.00 C ATOM 356 O SER A 766 8.694 -3.197 -5.855 1.00 0.00 O ATOM 357 CB SER A 766 10.960 -2.859 -3.903 1.00 0.00 C ATOM 358 OG SER A 766 11.468 -2.916 -2.581 1.00 0.00 O ATOM 0 H SER A 766 8.223 -3.464 -3.280 1.00 0.00 H new ATOM 0 HA SER A 766 9.841 -1.036 -3.699 1.00 0.00 H new ATOM 0 HB2 SER A 766 10.801 -3.870 -4.279 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.693 -2.387 -4.558 1.00 0.00 H new ATOM 0 HG SER A 766 12.307 -3.422 -2.575 1.00 0.00 H new ATOM 364 N PHE A 767 8.986 -0.972 -6.008 1.00 0.00 N ATOM 365 CA PHE A 767 8.448 -0.884 -7.361 1.00 0.00 C ATOM 366 C PHE A 767 9.168 0.196 -8.164 1.00 0.00 C ATOM 367 O PHE A 767 9.827 1.068 -7.599 1.00 0.00 O ATOM 368 CB PHE A 767 6.947 -0.588 -7.318 1.00 0.00 C ATOM 369 CG PHE A 767 6.583 0.525 -6.379 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.789 1.848 -6.738 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.033 0.250 -5.137 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.454 2.875 -5.876 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.696 1.273 -4.271 1.00 0.00 C ATOM 374 CZ PHE A 767 5.908 2.587 -4.641 1.00 0.00 C ATOM 0 H PHE A 767 9.288 -0.080 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 767 8.608 -1.844 -7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.606 -0.332 -8.321 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.415 -1.492 -7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.216 2.079 -7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.866 -0.776 -4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.619 3.902 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.267 1.045 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.647 3.388 -3.965 1.00 0.00 H new ATOM 384 N ARG A 768 9.037 0.129 -9.485 1.00 0.00 N ATOM 385 CA ARG A 768 9.676 1.099 -10.366 1.00 0.00 C ATOM 386 C ARG A 768 8.641 2.031 -10.989 1.00 0.00 C ATOM 387 O ARG A 768 7.460 1.695 -11.075 1.00 0.00 O ATOM 388 CB ARG A 768 10.460 0.381 -11.466 1.00 0.00 C ATOM 389 CG ARG A 768 11.365 1.302 -12.268 1.00 0.00 C ATOM 390 CD ARG A 768 11.887 0.617 -13.522 1.00 0.00 C ATOM 391 NE ARG A 768 12.528 1.560 -14.434 1.00 0.00 N ATOM 392 CZ ARG A 768 13.789 1.959 -14.311 1.00 0.00 C ATOM 393 NH1 ARG A 768 14.540 1.499 -13.320 1.00 0.00 N ATOM 394 NH2 ARG A 768 14.302 2.819 -15.182 1.00 0.00 N ATOM 0 H ARG A 768 8.494 -0.587 -9.968 1.00 0.00 H new ATOM 0 HA ARG A 768 10.365 1.697 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 768 11.064 -0.406 -11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 768 9.758 -0.105 -12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 768 10.816 2.202 -12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 768 12.204 1.619 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 768 12.600 -0.158 -13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 768 11.062 0.121 -14.034 1.00 0.00 H new ATOM 0 HE ARG A 768 11.978 1.933 -15.208 1.00 0.00 H new ATOM 0 HH11 ARG A 768 14.150 0.837 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 768 15.508 1.807 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 768 13.728 3.174 -15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 768 15.270 3.125 -15.087 1.00 0.00 H new ATOM 408 N ARG A 769 9.093 3.203 -11.422 1.00 0.00 N ATOM 409 CA ARG A 769 8.207 4.185 -12.036 1.00 0.00 C ATOM 410 C ARG A 769 7.348 3.539 -13.119 1.00 0.00 C ATOM 411 O ARG A 769 7.866 2.930 -14.055 1.00 0.00 O ATOM 412 CB ARG A 769 9.020 5.335 -12.632 1.00 0.00 C ATOM 413 CG ARG A 769 8.167 6.398 -13.305 1.00 0.00 C ATOM 414 CD ARG A 769 7.940 6.082 -14.775 1.00 0.00 C ATOM 415 NE ARG A 769 9.029 6.571 -15.615 1.00 0.00 N ATOM 416 CZ ARG A 769 9.252 7.859 -15.854 1.00 0.00 C ATOM 417 NH1 ARG A 769 8.465 8.782 -15.319 1.00 0.00 N ATOM 418 NH2 ARG A 769 10.264 8.226 -16.630 1.00 0.00 N ATOM 0 H ARG A 769 10.068 3.496 -11.359 1.00 0.00 H new ATOM 0 HA ARG A 769 7.549 4.579 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.609 5.800 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.725 4.932 -13.360 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.206 6.472 -12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.653 7.369 -13.211 1.00 0.00 H new ATOM 0 HD2 ARG A 769 7.840 5.004 -14.903 1.00 0.00 H new ATOM 0 HD3 ARG A 769 7.001 6.530 -15.101 1.00 0.00 H new ATOM 0 HE ARG A 769 9.653 5.886 -16.042 1.00 0.00 H new ATOM 0 HH11 ARG A 769 7.686 8.504 -14.722 1.00 0.00 H new ATOM 0 HH12 ARG A 769 8.639 9.770 -15.504 1.00 0.00 H new ATOM 0 HH21 ARG A 769 10.872 7.519 -17.044 1.00 0.00 H new ATOM 0 HH22 ARG A 769 10.434 9.215 -16.813 1.00 0.00 H new ATOM 432 N GLY A 770 6.033 3.677 -12.986 1.00 0.00 N ATOM 433 CA GLY A 770 5.123 3.102 -13.960 1.00 0.00 C ATOM 434 C GLY A 770 4.382 1.895 -13.418 1.00 0.00 C ATOM 435 O GLY A 770 3.237 1.643 -13.793 1.00 0.00 O ATOM 0 H GLY A 770 5.581 4.177 -12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.402 3.858 -14.270 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.683 2.812 -14.849 1.00 0.00 H new ATOM 439 N ASP A 771 5.035 1.148 -12.536 1.00 0.00 N ATOM 440 CA ASP A 771 4.431 -0.039 -11.943 1.00 0.00 C ATOM 441 C ASP A 771 3.214 0.333 -11.102 1.00 0.00 C ATOM 442 O ASP A 771 3.339 0.982 -10.064 1.00 0.00 O ATOM 443 CB ASP A 771 5.453 -0.782 -11.082 1.00 0.00 C ATOM 444 CG ASP A 771 6.427 -1.596 -11.911 1.00 0.00 C ATOM 445 OD1 ASP A 771 5.986 -2.566 -12.561 1.00 0.00 O ATOM 446 OD2 ASP A 771 7.631 -1.262 -11.910 1.00 0.00 O ATOM 0 H ASP A 771 5.983 1.343 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 771 4.105 -0.693 -12.752 1.00 0.00 H new ATOM 0 HB2 ASP A 771 6.007 -0.063 -10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.929 -1.442 -10.390 1.00 0.00 H new ATOM 451 N VAL A 772 2.036 -0.081 -11.559 1.00 0.00 N ATOM 452 CA VAL A 772 0.796 0.209 -10.849 1.00 0.00 C ATOM 453 C VAL A 772 0.704 -0.591 -9.554 1.00 0.00 C ATOM 454 O VAL A 772 1.144 -1.740 -9.489 1.00 0.00 O ATOM 455 CB VAL A 772 -0.435 -0.102 -11.721 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.708 0.376 -11.037 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.288 0.532 -13.095 1.00 0.00 C ATOM 0 H VAL A 772 1.915 -0.618 -12.418 1.00 0.00 H new ATOM 0 HA VAL A 772 0.806 1.273 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.504 -1.182 -11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.567 0.148 -11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.817 -0.130 -10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.652 1.453 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.167 0.302 -13.698 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.193 1.613 -12.989 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.602 0.136 -13.585 1.00 0.00 H new ATOM 467 N LEU A 773 0.129 0.023 -8.526 1.00 0.00 N ATOM 468 CA LEU A 773 -0.022 -0.632 -7.231 1.00 0.00 C ATOM 469 C LEU A 773 -1.416 -0.392 -6.659 1.00 0.00 C ATOM 470 O LEU A 773 -1.911 0.735 -6.656 1.00 0.00 O ATOM 471 CB LEU A 773 1.038 -0.122 -6.253 1.00 0.00 C ATOM 472 CG LEU A 773 2.360 0.331 -6.873 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.027 1.382 -5.999 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.287 -0.858 -7.080 1.00 0.00 C ATOM 0 H LEU A 773 -0.240 0.973 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 773 0.112 -1.704 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.616 0.714 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.249 -0.912 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 773 2.149 0.776 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.967 1.692 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.368 2.245 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.225 0.963 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.223 -0.517 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.491 -1.332 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.812 -1.578 -7.747 1.00 0.00 H new ATOM 486 N ARG A 774 -2.042 -1.460 -6.175 1.00 0.00 N ATOM 487 CA ARG A 774 -3.378 -1.365 -5.599 1.00 0.00 C ATOM 488 C ARG A 774 -3.313 -0.907 -4.145 1.00 0.00 C ATOM 489 O ARG A 774 -2.689 -1.557 -3.305 1.00 0.00 O ATOM 490 CB ARG A 774 -4.092 -2.715 -5.687 1.00 0.00 C ATOM 491 CG ARG A 774 -4.430 -3.133 -7.109 1.00 0.00 C ATOM 492 CD ARG A 774 -5.637 -4.057 -7.145 1.00 0.00 C ATOM 493 NE ARG A 774 -5.934 -4.517 -8.499 1.00 0.00 N ATOM 494 CZ ARG A 774 -6.880 -5.406 -8.783 1.00 0.00 C ATOM 495 NH1 ARG A 774 -7.617 -5.927 -7.812 1.00 0.00 N ATOM 496 NH2 ARG A 774 -7.090 -5.774 -10.040 1.00 0.00 N ATOM 0 H ARG A 774 -1.646 -2.400 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.940 -0.626 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.462 -3.480 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.011 -2.669 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -4.630 -2.247 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.572 -3.636 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -5.454 -4.918 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.505 -3.536 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 774 -5.385 -4.135 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -7.459 -5.646 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -8.343 -6.609 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -6.525 -5.375 -10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -7.816 -6.456 -10.257 1.00 0.00 H new ATOM 510 N LEU A 775 -3.959 0.217 -3.854 1.00 0.00 N ATOM 511 CA LEU A 775 -3.975 0.763 -2.502 1.00 0.00 C ATOM 512 C LEU A 775 -5.163 0.226 -1.711 1.00 0.00 C ATOM 513 O LEU A 775 -6.265 0.772 -1.778 1.00 0.00 O ATOM 514 CB LEU A 775 -4.027 2.291 -2.548 1.00 0.00 C ATOM 515 CG LEU A 775 -3.046 2.968 -3.507 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.134 4.480 -3.380 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.626 2.490 -3.241 1.00 0.00 C ATOM 0 H LEU A 775 -4.479 0.768 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.058 0.452 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.038 2.592 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -3.843 2.671 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.316 2.694 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -2.429 4.945 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.146 4.807 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -2.890 4.774 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -0.941 2.982 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.346 2.735 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.573 1.411 -3.384 1.00 0.00 H new ATOM 529 N HIS A 776 -4.932 -0.847 -0.960 1.00 0.00 N ATOM 530 CA HIS A 776 -5.983 -1.456 -0.153 1.00 0.00 C ATOM 531 C HIS A 776 -6.641 -0.421 0.754 1.00 0.00 C ATOM 532 O HIS A 776 -7.839 -0.161 0.646 1.00 0.00 O ATOM 533 CB HIS A 776 -5.412 -2.599 0.688 1.00 0.00 C ATOM 534 CG HIS A 776 -4.743 -3.664 -0.125 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.420 -4.906 0.381 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.338 -3.670 -1.417 1.00 0.00 C ATOM 537 CE1 HIS A 776 -3.844 -5.628 -0.563 1.00 0.00 C ATOM 538 NE2 HIS A 776 -3.783 -4.901 -1.664 1.00 0.00 N ATOM 0 H HIS A 776 -4.027 -1.312 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.740 -1.855 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.694 -2.192 1.400 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -6.217 -3.049 1.269 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -4.598 -5.218 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.434 -2.857 -2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -3.484 -6.640 -0.453 1.00 0.00 H new ATOM 546 N GLU A 777 -5.849 0.165 1.647 1.00 0.00 N ATOM 547 CA GLU A 777 -6.357 1.170 2.573 1.00 0.00 C ATOM 548 C GLU A 777 -5.215 1.993 3.163 1.00 0.00 C ATOM 549 O GLU A 777 -4.085 1.517 3.270 1.00 0.00 O ATOM 550 CB GLU A 777 -7.154 0.505 3.697 1.00 0.00 C ATOM 551 CG GLU A 777 -7.888 1.491 4.589 1.00 0.00 C ATOM 552 CD GLU A 777 -8.165 0.933 5.972 1.00 0.00 C ATOM 553 OE1 GLU A 777 -8.829 -0.121 6.063 1.00 0.00 O ATOM 554 OE2 GLU A 777 -7.719 1.550 6.961 1.00 0.00 O ATOM 0 H GLU A 777 -4.855 -0.039 1.748 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.015 1.838 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.877 -0.184 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.476 -0.090 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.297 2.402 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.831 1.769 4.118 1.00 0.00 H new ATOM 561 N ARG A 778 -5.519 3.230 3.542 1.00 0.00 N ATOM 562 CA ARG A 778 -4.518 4.119 4.119 1.00 0.00 C ATOM 563 C ARG A 778 -3.799 3.446 5.284 1.00 0.00 C ATOM 564 O ARG A 778 -4.432 2.870 6.168 1.00 0.00 O ATOM 565 CB ARG A 778 -5.173 5.419 4.592 1.00 0.00 C ATOM 566 CG ARG A 778 -4.185 6.554 4.810 1.00 0.00 C ATOM 567 CD ARG A 778 -3.688 7.120 3.489 1.00 0.00 C ATOM 568 NE ARG A 778 -4.580 8.151 2.965 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.609 9.398 3.420 1.00 0.00 C ATOM 570 NH1 ARG A 778 -3.800 9.768 4.403 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.449 10.279 2.891 1.00 0.00 N ATOM 0 H ARG A 778 -6.450 3.639 3.460 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.784 4.349 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.915 5.731 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -5.707 5.229 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -4.660 7.345 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -3.338 6.194 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.691 7.539 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.598 6.314 2.760 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.216 7.899 2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -3.153 9.094 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -3.825 10.727 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.073 9.998 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.471 11.237 3.241 1.00 0.00 H new ATOM 585 N ALA A 779 -2.472 3.522 5.277 1.00 0.00 N ATOM 586 CA ALA A 779 -1.667 2.921 6.334 1.00 0.00 C ATOM 587 C ALA A 779 -1.188 3.976 7.326 1.00 0.00 C ATOM 588 O ALA A 779 -1.245 3.772 8.538 1.00 0.00 O ATOM 589 CB ALA A 779 -0.481 2.179 5.736 1.00 0.00 C ATOM 0 H ALA A 779 -1.932 3.994 4.552 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.292 2.210 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 779 0.112 1.735 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.841 1.393 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 779 0.137 2.877 5.171 1.00 0.00 H new ATOM 595 N SER A 780 -0.715 5.103 6.802 1.00 0.00 N ATOM 596 CA SER A 780 -0.222 6.188 7.642 1.00 0.00 C ATOM 597 C SER A 780 -0.546 7.544 7.024 1.00 0.00 C ATOM 598 O SER A 780 -1.136 7.622 5.946 1.00 0.00 O ATOM 599 CB SER A 780 1.288 6.056 7.847 1.00 0.00 C ATOM 600 OG SER A 780 1.692 4.698 7.805 1.00 0.00 O ATOM 0 H SER A 780 -0.663 5.288 5.800 1.00 0.00 H new ATOM 0 HA SER A 780 -0.720 6.121 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 780 1.813 6.619 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.567 6.492 8.806 1.00 0.00 H new ATOM 0 HG SER A 780 2.661 4.641 7.937 1.00 0.00 H new ATOM 606 N SER A 781 -0.157 8.611 7.715 1.00 0.00 N ATOM 607 CA SER A 781 -0.409 9.965 7.237 1.00 0.00 C ATOM 608 C SER A 781 0.061 10.128 5.795 1.00 0.00 C ATOM 609 O SER A 781 -0.634 10.719 4.967 1.00 0.00 O ATOM 610 CB SER A 781 0.296 10.985 8.133 1.00 0.00 C ATOM 611 OG SER A 781 1.662 10.651 8.308 1.00 0.00 O ATOM 0 H SER A 781 0.334 8.564 8.608 1.00 0.00 H new ATOM 0 HA SER A 781 -1.484 10.142 7.273 1.00 0.00 H new ATOM 0 HB2 SER A 781 0.215 11.979 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.199 11.025 9.103 1.00 0.00 H new ATOM 0 HG SER A 781 2.091 11.319 8.883 1.00 0.00 H new ATOM 617 N ASP A 782 1.244 9.601 5.502 1.00 0.00 N ATOM 618 CA ASP A 782 1.808 9.687 4.159 1.00 0.00 C ATOM 619 C ASP A 782 2.211 8.306 3.650 1.00 0.00 C ATOM 620 O ASP A 782 3.266 8.143 3.038 1.00 0.00 O ATOM 621 CB ASP A 782 3.019 10.620 4.150 1.00 0.00 C ATOM 622 CG ASP A 782 2.638 12.060 3.863 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.065 12.711 4.760 1.00 0.00 O ATOM 624 OD2 ASP A 782 2.913 12.534 2.741 1.00 0.00 O ATOM 0 H ASP A 782 1.832 9.110 6.176 1.00 0.00 H new ATOM 0 HA ASP A 782 1.043 10.091 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.523 10.566 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 782 3.731 10.279 3.399 1.00 0.00 H new ATOM 629 N TRP A 783 1.364 7.316 3.909 1.00 0.00 N ATOM 630 CA TRP A 783 1.633 5.949 3.478 1.00 0.00 C ATOM 631 C TRP A 783 0.335 5.210 3.171 1.00 0.00 C ATOM 632 O TRP A 783 -0.746 5.645 3.568 1.00 0.00 O ATOM 633 CB TRP A 783 2.420 5.198 4.554 1.00 0.00 C ATOM 634 CG TRP A 783 3.845 5.646 4.668 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.316 6.705 5.391 1.00 0.00 C ATOM 636 CD2 TRP A 783 4.985 5.049 4.040 1.00 0.00 C ATOM 637 NE1 TRP A 783 5.679 6.803 5.249 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.114 5.798 4.426 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.161 3.954 3.190 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.399 5.485 3.990 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.437 3.645 2.758 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.542 4.407 3.159 1.00 0.00 C ATOM 0 H TRP A 783 0.486 7.434 4.415 1.00 0.00 H new ATOM 0 HA TRP A 783 2.229 5.993 2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 783 1.926 5.333 5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.399 4.131 4.332 1.00 0.00 H new ATOM 0 HD1 TRP A 783 3.706 7.368 5.987 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.271 7.510 5.686 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.315 3.360 2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.252 6.072 4.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.585 2.802 2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.526 4.138 2.805 1.00 0.00 H new ATOM 653 N TRP A 784 0.450 4.091 2.464 1.00 0.00 N ATOM 654 CA TRP A 784 -0.716 3.292 2.104 1.00 0.00 C ATOM 655 C TRP A 784 -0.433 1.805 2.283 1.00 0.00 C ATOM 656 O TRP A 784 0.655 1.418 2.710 1.00 0.00 O ATOM 657 CB TRP A 784 -1.129 3.576 0.659 1.00 0.00 C ATOM 658 CG TRP A 784 -1.472 5.013 0.410 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.599 6.059 0.310 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.782 5.564 0.233 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.287 7.226 0.081 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.627 6.949 0.028 1.00 0.00 C ATOM 663 CE3 TRP A 784 -4.069 5.021 0.225 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.713 7.796 -0.180 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -5.145 5.863 0.018 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.962 7.237 -0.183 1.00 0.00 C ATOM 0 H TRP A 784 1.338 3.717 2.129 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.534 3.569 2.768 1.00 0.00 H new ATOM 0 HB2 TRP A 784 -0.318 3.283 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.989 2.956 0.406 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.475 5.980 0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.868 8.149 -0.031 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -4.220 3.963 0.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.574 8.856 -0.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -6.145 5.454 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.824 7.868 -0.344 1.00 0.00 H new ATOM 677 N ARG A 785 -1.417 0.975 1.952 1.00 0.00 N ATOM 678 CA ARG A 785 -1.272 -0.470 2.077 1.00 0.00 C ATOM 679 C ARG A 785 -1.722 -1.174 0.800 1.00 0.00 C ATOM 680 O ARG A 785 -2.902 -1.153 0.450 1.00 0.00 O ATOM 681 CB ARG A 785 -2.083 -0.984 3.268 1.00 0.00 C ATOM 682 CG ARG A 785 -1.321 -0.951 4.583 1.00 0.00 C ATOM 683 CD ARG A 785 -2.249 -1.152 5.770 1.00 0.00 C ATOM 684 NE ARG A 785 -1.516 -1.231 7.031 1.00 0.00 N ATOM 685 CZ ARG A 785 -2.077 -1.567 8.187 1.00 0.00 C ATOM 686 NH1 ARG A 785 -3.371 -1.854 8.242 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.344 -1.617 9.292 1.00 0.00 N ATOM 0 H ARG A 785 -2.323 1.279 1.595 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.217 -0.691 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -2.988 -0.384 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.400 -2.007 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.557 -1.728 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -0.804 0.004 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -2.962 -0.329 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -2.826 -2.066 5.628 1.00 0.00 H new ATOM 0 HE ARG A 785 -0.519 -1.016 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -3.938 -1.817 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -3.799 -2.112 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.349 -1.397 9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.776 -1.875 10.179 1.00 0.00 H new ATOM 701 N GLY A 786 -0.774 -1.797 0.108 1.00 0.00 N ATOM 702 CA GLY A 786 -1.092 -2.498 -1.123 1.00 0.00 C ATOM 703 C GLY A 786 -0.328 -3.799 -1.263 1.00 0.00 C ATOM 704 O GLY A 786 0.430 -4.180 -0.372 1.00 0.00 O ATOM 0 H GLY A 786 0.209 -1.829 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.162 -2.703 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.866 -1.854 -1.973 1.00 0.00 H new ATOM 708 N GLU A 787 -0.529 -4.484 -2.385 1.00 0.00 N ATOM 709 CA GLU A 787 0.146 -5.751 -2.637 1.00 0.00 C ATOM 710 C GLU A 787 0.771 -5.768 -4.029 1.00 0.00 C ATOM 711 O GLU A 787 0.067 -5.745 -5.039 1.00 0.00 O ATOM 712 CB GLU A 787 -0.837 -6.915 -2.494 1.00 0.00 C ATOM 713 CG GLU A 787 -0.450 -8.142 -3.303 1.00 0.00 C ATOM 714 CD GLU A 787 -1.517 -9.219 -3.275 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.715 -8.871 -3.331 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.152 -10.411 -3.196 1.00 0.00 O ATOM 0 H GLU A 787 -1.154 -4.182 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 787 0.941 -5.862 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -0.909 -7.192 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.828 -6.583 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.263 -7.848 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.483 -8.550 -2.914 1.00 0.00 H new ATOM 723 N HIS A 788 2.099 -5.807 -4.074 1.00 0.00 N ATOM 724 CA HIS A 788 2.821 -5.826 -5.342 1.00 0.00 C ATOM 725 C HIS A 788 2.830 -7.229 -5.940 1.00 0.00 C ATOM 726 O HIS A 788 2.234 -8.153 -5.389 1.00 0.00 O ATOM 727 CB HIS A 788 4.255 -5.334 -5.144 1.00 0.00 C ATOM 728 CG HIS A 788 4.827 -4.656 -6.350 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.160 -4.324 -6.465 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.239 -4.249 -7.499 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.367 -3.740 -7.632 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.217 -3.682 -8.279 1.00 0.00 N ATOM 0 H HIS A 788 2.697 -5.826 -3.248 1.00 0.00 H new ATOM 0 HA HIS A 788 2.308 -5.158 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.280 -4.642 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.888 -6.181 -4.879 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.875 -4.501 -5.759 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.195 -4.351 -7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.315 -3.373 -7.995 1.00 0.00 H new ATOM 740 N ASN A 789 3.509 -7.380 -7.073 1.00 0.00 N ATOM 741 CA ASN A 789 3.594 -8.671 -7.747 1.00 0.00 C ATOM 742 C ASN A 789 4.193 -9.728 -6.824 1.00 0.00 C ATOM 743 O ASN A 789 5.410 -9.816 -6.670 1.00 0.00 O ATOM 744 CB ASN A 789 4.438 -8.551 -9.018 1.00 0.00 C ATOM 745 CG ASN A 789 3.611 -8.151 -10.224 1.00 0.00 C ATOM 746 OD1 ASN A 789 2.535 -8.699 -10.463 1.00 0.00 O ATOM 747 ND2 ASN A 789 4.111 -7.190 -10.992 1.00 0.00 N ATOM 0 H ASN A 789 4.008 -6.625 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 789 2.584 -8.980 -8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 789 5.225 -7.814 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 789 4.928 -9.504 -9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 789 3.599 -6.879 -11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.007 -6.763 -10.756 1.00 0.00 H new ATOM 754 N GLY A 790 3.327 -10.531 -6.212 1.00 0.00 N ATOM 755 CA GLY A 790 3.788 -11.572 -5.313 1.00 0.00 C ATOM 756 C GLY A 790 4.359 -11.014 -4.024 1.00 0.00 C ATOM 757 O GLY A 790 4.943 -11.748 -3.228 1.00 0.00 O ATOM 0 H GLY A 790 2.314 -10.479 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.959 -12.240 -5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.548 -12.170 -5.815 1.00 0.00 H new ATOM 761 N MET A 791 4.192 -9.712 -3.820 1.00 0.00 N ATOM 762 CA MET A 791 4.695 -9.056 -2.618 1.00 0.00 C ATOM 763 C MET A 791 3.588 -8.272 -1.922 1.00 0.00 C ATOM 764 O MET A 791 2.614 -7.861 -2.553 1.00 0.00 O ATOM 765 CB MET A 791 5.855 -8.121 -2.970 1.00 0.00 C ATOM 766 CG MET A 791 7.216 -8.795 -2.914 1.00 0.00 C ATOM 767 SD MET A 791 8.539 -7.739 -3.536 1.00 0.00 S ATOM 768 CE MET A 791 9.897 -8.240 -2.481 1.00 0.00 C ATOM 0 H MET A 791 3.713 -9.090 -4.471 1.00 0.00 H new ATOM 0 HA MET A 791 5.053 -9.827 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.698 -7.721 -3.972 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.849 -7.274 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 791 7.435 -9.077 -1.884 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.186 -9.715 -3.497 1.00 0.00 H new ATOM 0 HE1 MET A 791 10.790 -7.674 -2.744 1.00 0.00 H new ATOM 0 HE2 MET A 791 9.639 -8.047 -1.440 1.00 0.00 H new ATOM 0 HE3 MET A 791 10.089 -9.304 -2.616 1.00 0.00 H new ATOM 778 N ARG A 792 3.743 -8.069 -0.617 1.00 0.00 N ATOM 779 CA ARG A 792 2.756 -7.335 0.164 1.00 0.00 C ATOM 780 C ARG A 792 3.435 -6.418 1.177 1.00 0.00 C ATOM 781 O ARG A 792 4.357 -6.830 1.882 1.00 0.00 O ATOM 782 CB ARG A 792 1.821 -8.308 0.887 1.00 0.00 C ATOM 783 CG ARG A 792 0.954 -9.130 -0.052 1.00 0.00 C ATOM 784 CD ARG A 792 -0.317 -9.604 0.636 1.00 0.00 C ATOM 785 NE ARG A 792 -1.205 -10.310 -0.284 1.00 0.00 N ATOM 786 CZ ARG A 792 -2.507 -10.469 -0.070 1.00 0.00 C ATOM 787 NH1 ARG A 792 -3.068 -9.975 1.024 1.00 0.00 N ATOM 788 NH2 ARG A 792 -3.250 -11.124 -0.954 1.00 0.00 N ATOM 0 H ARG A 792 4.543 -8.403 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 792 2.172 -6.720 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.417 -8.983 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 792 1.177 -7.745 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.695 -8.533 -0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.518 -9.991 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.057 -10.262 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -0.841 -8.748 1.060 1.00 0.00 H new ATOM 0 HE ARG A 792 -0.804 -10.702 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -2.500 -9.471 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -4.068 -10.099 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 792 -2.822 -11.505 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 792 -4.249 -11.246 -0.790 1.00 0.00 H new ATOM 802 N GLY A 793 2.974 -5.173 1.244 1.00 0.00 N ATOM 803 CA GLY A 793 3.550 -4.218 2.173 1.00 0.00 C ATOM 804 C GLY A 793 2.944 -2.835 2.032 1.00 0.00 C ATOM 805 O GLY A 793 1.926 -2.661 1.361 1.00 0.00 O ATOM 0 H GLY A 793 2.212 -4.809 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.403 -4.574 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.626 -4.159 2.008 1.00 0.00 H new ATOM 809 N LEU A 794 3.569 -1.850 2.667 1.00 0.00 N ATOM 810 CA LEU A 794 3.084 -0.475 2.611 1.00 0.00 C ATOM 811 C LEU A 794 3.497 0.195 1.304 1.00 0.00 C ATOM 812 O LEU A 794 4.272 -0.363 0.527 1.00 0.00 O ATOM 813 CB LEU A 794 3.622 0.324 3.799 1.00 0.00 C ATOM 814 CG LEU A 794 3.260 -0.209 5.186 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.339 0.152 6.195 1.00 0.00 C ATOM 816 CD2 LEU A 794 1.910 0.334 5.630 1.00 0.00 C ATOM 0 H LEU A 794 4.412 -1.977 3.226 1.00 0.00 H new ATOM 0 HA LEU A 794 1.995 -0.497 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 794 4.708 0.367 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.256 1.348 3.718 1.00 0.00 H new ATOM 0 HG LEU A 794 3.192 -1.295 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.064 -0.235 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.288 -0.285 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.439 1.236 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 794 1.668 -0.056 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 794 1.951 1.423 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.142 0.025 4.921 1.00 0.00 H new ATOM 828 N ILE A 795 2.975 1.394 1.070 1.00 0.00 N ATOM 829 CA ILE A 795 3.292 2.141 -0.140 1.00 0.00 C ATOM 830 C ILE A 795 3.506 3.620 0.166 1.00 0.00 C ATOM 831 O ILE A 795 2.703 4.261 0.845 1.00 0.00 O ATOM 832 CB ILE A 795 2.179 2.003 -1.195 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.252 0.631 -1.869 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.287 3.114 -2.229 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.051 0.318 -2.734 1.00 0.00 C ATOM 0 H ILE A 795 2.331 1.869 1.702 1.00 0.00 H new ATOM 0 HA ILE A 795 4.214 1.718 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 795 1.214 2.091 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.153 0.583 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.347 -0.137 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.493 3.002 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.190 4.081 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.255 3.056 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.171 -0.669 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.149 0.333 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 795 0.967 1.065 -3.524 1.00 0.00 H new ATOM 847 N PRO A 796 4.613 4.177 -0.347 1.00 0.00 N ATOM 848 CA PRO A 796 4.957 5.587 -0.144 1.00 0.00 C ATOM 849 C PRO A 796 4.019 6.527 -0.894 1.00 0.00 C ATOM 850 O PRO A 796 3.820 6.388 -2.101 1.00 0.00 O ATOM 851 CB PRO A 796 6.378 5.690 -0.705 1.00 0.00 C ATOM 852 CG PRO A 796 6.473 4.585 -1.699 1.00 0.00 C ATOM 853 CD PRO A 796 5.614 3.472 -1.166 1.00 0.00 C ATOM 0 HA PRO A 796 4.875 5.880 0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.550 6.659 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.124 5.580 0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.125 4.911 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.505 4.257 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.147 2.904 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.194 2.766 -0.572 1.00 0.00 H new ATOM 861 N HIS A 797 3.445 7.483 -0.171 1.00 0.00 N ATOM 862 CA HIS A 797 2.527 8.447 -0.769 1.00 0.00 C ATOM 863 C HIS A 797 3.294 9.564 -1.470 1.00 0.00 C ATOM 864 O HIS A 797 2.730 10.313 -2.267 1.00 0.00 O ATOM 865 CB HIS A 797 1.607 9.037 0.299 1.00 0.00 C ATOM 866 CG HIS A 797 0.815 10.216 -0.177 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.412 10.099 -0.794 1.00 0.00 N ATOM 868 CD2 HIS A 797 1.082 11.542 -0.123 1.00 0.00 C ATOM 869 CE1 HIS A 797 -0.866 11.301 -1.100 1.00 0.00 C ATOM 870 NE2 HIS A 797 0.022 12.195 -0.703 1.00 0.00 N ATOM 0 H HIS A 797 3.599 7.611 0.829 1.00 0.00 H new ATOM 0 HA HIS A 797 1.922 7.924 -1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.920 8.263 0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.207 9.336 1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.964 12.001 0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -1.803 11.516 -1.591 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.065 13.206 -0.810 1.00 0.00 H new ATOM 878 N LYS A 798 4.584 9.670 -1.168 1.00 0.00 N ATOM 879 CA LYS A 798 5.430 10.694 -1.769 1.00 0.00 C ATOM 880 C LYS A 798 6.104 10.170 -3.033 1.00 0.00 C ATOM 881 O LYS A 798 6.840 10.896 -3.701 1.00 0.00 O ATOM 882 CB LYS A 798 6.489 11.161 -0.768 1.00 0.00 C ATOM 883 CG LYS A 798 7.517 12.106 -1.367 1.00 0.00 C ATOM 884 CD LYS A 798 8.175 12.964 -0.300 1.00 0.00 C ATOM 885 CE LYS A 798 9.374 12.261 0.319 1.00 0.00 C ATOM 886 NZ LYS A 798 10.605 12.441 -0.500 1.00 0.00 N ATOM 0 H LYS A 798 5.067 9.058 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 798 4.798 11.540 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.994 11.658 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 798 7.002 10.289 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.279 11.530 -1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.036 12.748 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.493 13.911 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 798 7.449 13.200 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.545 12.650 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 798 9.158 11.198 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 11.400 11.948 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 10.451 12.047 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 10.825 13.454 -0.577 1.00 0.00 H new ATOM 900 N TYR A 799 5.847 8.908 -3.355 1.00 0.00 N ATOM 901 CA TYR A 799 6.431 8.287 -4.538 1.00 0.00 C ATOM 902 C TYR A 799 5.347 7.684 -5.427 1.00 0.00 C ATOM 903 O TYR A 799 5.573 6.683 -6.108 1.00 0.00 O ATOM 904 CB TYR A 799 7.432 7.204 -4.131 1.00 0.00 C ATOM 905 CG TYR A 799 8.715 7.754 -3.550 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.731 8.363 -2.301 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.912 7.666 -4.251 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.901 8.868 -1.767 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.087 8.167 -3.724 1.00 0.00 C ATOM 910 CZ TYR A 799 11.076 8.767 -2.482 1.00 0.00 C ATOM 911 OH TYR A 799 12.244 9.268 -1.954 1.00 0.00 O ATOM 0 H TYR A 799 5.238 8.294 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 799 6.952 9.060 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.964 6.545 -3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.670 6.594 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.813 8.443 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.924 7.198 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.895 9.339 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.009 8.089 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 799 12.979 9.115 -2.583 1.00 0.00 H new ATOM 921 N ILE A 800 4.171 8.302 -5.416 1.00 0.00 N ATOM 922 CA ILE A 800 3.053 7.829 -6.222 1.00 0.00 C ATOM 923 C ILE A 800 2.155 8.985 -6.650 1.00 0.00 C ATOM 924 O ILE A 800 2.369 10.131 -6.254 1.00 0.00 O ATOM 925 CB ILE A 800 2.207 6.792 -5.459 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.555 7.437 -4.234 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.067 5.607 -5.046 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.257 6.777 -3.824 1.00 0.00 C ATOM 0 H ILE A 800 3.968 9.131 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 800 3.480 7.357 -7.107 1.00 0.00 H new ATOM 0 HB ILE A 800 1.419 6.431 -6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.253 7.398 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.368 8.490 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.455 4.883 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.489 5.137 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.874 5.951 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 800 -0.149 7.285 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.458 6.839 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.442 5.730 -3.582 1.00 0.00 H new ATOM 940 N THR A 801 1.148 8.676 -7.461 1.00 0.00 N ATOM 941 CA THR A 801 0.216 9.689 -7.942 1.00 0.00 C ATOM 942 C THR A 801 -1.217 9.170 -7.925 1.00 0.00 C ATOM 943 O THR A 801 -1.555 8.228 -8.643 1.00 0.00 O ATOM 944 CB THR A 801 0.569 10.143 -9.371 1.00 0.00 C ATOM 945 OG1 THR A 801 1.884 10.709 -9.394 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.437 11.164 -9.878 1.00 0.00 C ATOM 0 H THR A 801 0.957 7.733 -7.799 1.00 0.00 H new ATOM 0 HA THR A 801 0.299 10.541 -7.267 1.00 0.00 H new ATOM 0 HB THR A 801 0.538 9.271 -10.024 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.102 10.994 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.167 11.470 -10.889 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.433 10.720 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.434 12.035 -9.222 1.00 0.00 H new ATOM 954 N LEU A 802 -2.056 9.790 -7.103 1.00 0.00 N ATOM 955 CA LEU A 802 -3.455 9.391 -6.994 1.00 0.00 C ATOM 956 C LEU A 802 -4.255 9.876 -8.198 1.00 0.00 C ATOM 957 O LEU A 802 -3.904 10.857 -8.854 1.00 0.00 O ATOM 958 CB LEU A 802 -4.065 9.946 -5.705 1.00 0.00 C ATOM 959 CG LEU A 802 -3.593 9.294 -4.405 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.490 9.703 -3.247 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.561 7.780 -4.548 1.00 0.00 C ATOM 0 H LEU A 802 -1.792 10.571 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.496 8.302 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.847 11.013 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -5.149 9.845 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.581 9.640 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -4.139 9.230 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -4.462 10.786 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.513 9.387 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.223 7.333 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.561 7.416 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -2.876 7.505 -5.350 1.00 0.00 H new ATOM 973 N PRO A 803 -5.359 9.175 -8.497 1.00 0.00 N ATOM 974 CA PRO A 803 -6.234 9.517 -9.622 1.00 0.00 C ATOM 975 C PRO A 803 -7.003 10.812 -9.386 1.00 0.00 C ATOM 976 O PRO A 803 -7.371 11.129 -8.255 1.00 0.00 O ATOM 977 CB PRO A 803 -7.197 8.330 -9.696 1.00 0.00 C ATOM 978 CG PRO A 803 -7.217 7.771 -8.315 1.00 0.00 C ATOM 979 CD PRO A 803 -5.838 7.994 -7.759 1.00 0.00 C ATOM 0 HA PRO A 803 -5.670 9.685 -10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.192 8.646 -10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.856 7.588 -10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.970 8.268 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.466 6.710 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.862 8.174 -6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.194 7.130 -7.922 1.00 0.00 H new ATOM 987 N ALA A 804 -7.242 11.558 -10.460 1.00 0.00 N ATOM 988 CA ALA A 804 -7.969 12.818 -10.369 1.00 0.00 C ATOM 989 C ALA A 804 -9.069 12.742 -9.316 1.00 0.00 C ATOM 990 O ALA A 804 -9.328 13.712 -8.604 1.00 0.00 O ATOM 991 CB ALA A 804 -8.556 13.187 -11.723 1.00 0.00 C ATOM 0 H ALA A 804 -6.943 11.311 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 804 -7.266 13.594 -10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 804 -9.096 14.130 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 804 -7.752 13.292 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 804 -9.241 12.404 -12.048 1.00 0.00 H new ATOM 997 N GLY A 805 -9.714 11.583 -9.222 1.00 0.00 N ATOM 998 CA GLY A 805 -10.779 11.403 -8.253 1.00 0.00 C ATOM 999 C GLY A 805 -10.254 11.177 -6.849 1.00 0.00 C ATOM 1000 O GLY A 805 -10.327 10.067 -6.322 1.00 0.00 O ATOM 0 H GLY A 805 -9.518 10.766 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 805 -11.424 12.282 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 805 -11.395 10.554 -8.548 1.00 0.00 H new ATOM 1004 N THR A 806 -9.721 12.233 -6.241 1.00 0.00 N ATOM 1005 CA THR A 806 -9.178 12.144 -4.892 1.00 0.00 C ATOM 1006 C THR A 806 -9.598 13.344 -4.050 1.00 0.00 C ATOM 1007 O THR A 806 -9.407 14.491 -4.451 1.00 0.00 O ATOM 1008 CB THR A 806 -7.641 12.056 -4.909 1.00 0.00 C ATOM 1009 OG1 THR A 806 -7.224 10.887 -5.623 1.00 0.00 O ATOM 1010 CG2 THR A 806 -7.085 12.015 -3.493 1.00 0.00 C ATOM 0 H THR A 806 -9.654 13.160 -6.662 1.00 0.00 H new ATOM 0 HA THR A 806 -9.581 11.233 -4.449 1.00 0.00 H new ATOM 0 HB THR A 806 -7.255 12.944 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 806 -7.524 10.948 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 806 -5.997 11.953 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 806 -7.378 12.920 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 806 -7.480 11.143 -2.972 1.00 0.00 H new ATOM 1018 N GLU A 807 -10.171 13.070 -2.882 1.00 0.00 N ATOM 1019 CA GLU A 807 -10.617 14.130 -1.985 1.00 0.00 C ATOM 1020 C GLU A 807 -9.648 14.300 -0.819 1.00 0.00 C ATOM 1021 O GLU A 807 -9.569 13.449 0.068 1.00 0.00 O ATOM 1022 CB GLU A 807 -12.020 13.822 -1.455 1.00 0.00 C ATOM 1023 CG GLU A 807 -13.127 14.131 -2.449 1.00 0.00 C ATOM 1024 CD GLU A 807 -14.509 14.027 -1.834 1.00 0.00 C ATOM 1025 OE1 GLU A 807 -14.902 14.955 -1.096 1.00 0.00 O ATOM 1026 OE2 GLU A 807 -15.198 13.018 -2.092 1.00 0.00 O ATOM 0 H GLU A 807 -10.337 12.125 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 807 -10.645 15.062 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 807 -12.073 12.768 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 807 -12.190 14.397 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 807 -12.984 15.136 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 807 -13.056 13.443 -3.292 1.00 0.00 H new ATOM 1033 N LYS A 808 -8.911 15.405 -0.826 1.00 0.00 N ATOM 1034 CA LYS A 808 -7.946 15.690 0.229 1.00 0.00 C ATOM 1035 C LYS A 808 -8.639 16.269 1.458 1.00 0.00 C ATOM 1036 O LYS A 808 -9.228 17.349 1.398 1.00 0.00 O ATOM 1037 CB LYS A 808 -6.880 16.665 -0.275 1.00 0.00 C ATOM 1038 CG LYS A 808 -5.688 15.981 -0.923 1.00 0.00 C ATOM 1039 CD LYS A 808 -5.904 15.778 -2.413 1.00 0.00 C ATOM 1040 CE LYS A 808 -5.400 16.967 -3.217 1.00 0.00 C ATOM 1041 NZ LYS A 808 -6.455 18.003 -3.396 1.00 0.00 N ATOM 0 H LYS A 808 -8.964 16.119 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 808 -7.467 14.752 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 808 -7.334 17.346 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 808 -6.530 17.272 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 808 -4.792 16.580 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 808 -5.516 15.017 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 808 -5.388 14.874 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 808 -6.965 15.628 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 808 -4.540 17.408 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 808 -5.057 16.626 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 808 -6.235 18.582 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 808 -7.377 17.540 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 808 -6.490 18.612 -2.553 1.00 0.00 H new ATOM 1055 N GLN A 809 -8.565 15.546 2.571 1.00 0.00 N ATOM 1056 CA GLN A 809 -9.185 15.990 3.813 1.00 0.00 C ATOM 1057 C GLN A 809 -8.603 17.326 4.265 1.00 0.00 C ATOM 1058 O GLN A 809 -9.320 18.319 4.383 1.00 0.00 O ATOM 1059 CB GLN A 809 -8.993 14.940 4.908 1.00 0.00 C ATOM 1060 CG GLN A 809 -10.062 13.860 4.910 1.00 0.00 C ATOM 1061 CD GLN A 809 -11.433 14.396 5.274 1.00 0.00 C ATOM 1062 OE1 GLN A 809 -11.844 14.345 6.434 1.00 0.00 O ATOM 1063 NE2 GLN A 809 -12.148 14.915 4.284 1.00 0.00 N ATOM 0 H GLN A 809 -8.082 14.650 2.638 1.00 0.00 H new ATOM 0 HA GLN A 809 -10.251 16.122 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -8.016 14.472 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -8.988 15.436 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -10.107 13.397 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -9.782 13.079 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -11.768 14.937 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -13.077 15.292 4.469 1.00 0.00 H new ATOM 1072 N VAL A 810 -7.298 17.341 4.518 1.00 0.00 N ATOM 1073 CA VAL A 810 -6.619 18.555 4.957 1.00 0.00 C ATOM 1074 C VAL A 810 -5.502 18.938 3.993 1.00 0.00 C ATOM 1075 O VAL A 810 -4.838 18.074 3.419 1.00 0.00 O ATOM 1076 CB VAL A 810 -6.029 18.388 6.370 1.00 0.00 C ATOM 1077 CG1 VAL A 810 -7.132 18.112 7.380 1.00 0.00 C ATOM 1078 CG2 VAL A 810 -4.990 17.277 6.385 1.00 0.00 C ATOM 0 H VAL A 810 -6.690 16.527 4.427 1.00 0.00 H new ATOM 0 HA VAL A 810 -7.367 19.348 4.975 1.00 0.00 H new ATOM 0 HB VAL A 810 -5.536 19.319 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 810 -6.696 17.997 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 810 -7.836 18.944 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 810 -7.656 17.196 7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 810 -4.583 17.173 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 810 -5.456 16.339 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 810 -4.185 17.522 5.692 1.00 0.00 H new ATOM 1088 N VAL A 811 -5.297 20.240 3.820 1.00 0.00 N ATOM 1089 CA VAL A 811 -4.259 20.739 2.927 1.00 0.00 C ATOM 1090 C VAL A 811 -3.397 21.790 3.618 1.00 0.00 C ATOM 1091 O VAL A 811 -3.906 22.650 4.337 1.00 0.00 O ATOM 1092 CB VAL A 811 -4.863 21.348 1.648 1.00 0.00 C ATOM 1093 CG1 VAL A 811 -5.844 22.457 1.996 1.00 0.00 C ATOM 1094 CG2 VAL A 811 -3.764 21.865 0.733 1.00 0.00 C ATOM 0 H VAL A 811 -5.837 20.968 4.287 1.00 0.00 H new ATOM 0 HA VAL A 811 -3.639 19.885 2.656 1.00 0.00 H new ATOM 0 HB VAL A 811 -5.408 20.567 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 811 -6.260 22.875 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 811 -6.649 22.051 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 811 -5.326 23.240 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 811 -4.209 22.292 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 811 -3.189 22.632 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 811 -3.105 21.043 0.456 1.00 0.00 H new ATOM 1104 N GLY A 812 -2.089 21.714 3.396 1.00 0.00 N ATOM 1105 CA GLY A 812 -1.177 22.665 4.004 1.00 0.00 C ATOM 1106 C GLY A 812 -0.397 23.460 2.976 1.00 0.00 C ATOM 1107 O GLY A 812 -0.424 24.691 2.982 1.00 0.00 O ATOM 0 H GLY A 812 -1.644 21.011 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 812 -1.741 23.350 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 812 -0.480 22.133 4.652 1.00 0.00 H new ATOM 1111 N ALA A 813 0.302 22.756 2.092 1.00 0.00 N ATOM 1112 CA ALA A 813 1.092 23.404 1.053 1.00 0.00 C ATOM 1113 C ALA A 813 0.226 24.319 0.194 1.00 0.00 C ATOM 1114 O ALA A 813 0.451 25.527 0.134 1.00 0.00 O ATOM 1115 CB ALA A 813 1.782 22.361 0.186 1.00 0.00 C ATOM 0 H ALA A 813 0.337 21.737 2.075 1.00 0.00 H new ATOM 0 HA ALA A 813 1.851 24.017 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 813 2.368 22.860 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 813 2.440 21.751 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 813 1.032 21.724 -0.283 1.00 0.00 H new ATOM 1121 N GLY A 814 -0.765 23.735 -0.472 1.00 0.00 N ATOM 1122 CA GLY A 814 -1.650 24.512 -1.319 1.00 0.00 C ATOM 1123 C GLY A 814 -2.641 23.647 -2.072 1.00 0.00 C ATOM 1124 O GLY A 814 -3.852 23.830 -1.951 1.00 0.00 O ATOM 0 H GLY A 814 -0.971 22.736 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 814 -2.193 25.232 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 814 -1.056 25.083 -2.032 1.00 0.00 H new TER 1128 GLY A 814