USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 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 821 CYS SG : rot 68:sc= 0.0304 USER MOD Set 1.2: A 824 HIS :FLIP no HD1:sc= -0.265 F(o=-1.3,f=-0.23) USER MOD Set 1.3: A 861 MET CE :methyl -141:sc= 0 (180deg=-0.782) USER MOD Set 2.1: A 801 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-5.2!) USER MOD Set 2.2: A 802 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Single : A 785 SER OG : rot 180:sc= 0 USER MOD Single : A 786 SER OG : rot 180:sc= 0 USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD Single : A 789 SER OG : rot 180:sc= 0 USER MOD Single : A 794 TYR OH : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 77:sc= 0.603 USER MOD Single : A 796 THR OG1 : rot -10:sc= 1.08 USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.441 USER MOD Single : A 813 THR OG1 : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 THR OG1 : rot 180:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ -167:sc=-0.000918 (180deg=-0.0737) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.85 K(o=-1.9,f=-8.9!) USER MOD Single : A 839 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 841 LYS NZ :NH3+ 154:sc= -0.106 (180deg=-0.73) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -166:sc= 1.02 USER MOD Single : A 850 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 853 GLN : amide:sc= 0.018 K(o=0.018,f=-4!) USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -137:sc= -0.314 (180deg=-3.26!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 ASN : amide:sc= -0.853 K(o=-0.85,f=-2.1!) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 180:sc= 0 USER MOD Single : A 877 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 878 SER OG : rot -101:sc=-0.00219 USER MOD Single : A 881 SER OG : rot 180:sc= 0 USER MOD Single : A 882 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 784 27.091 5.236 -26.090 1.00 0.00 N ATOM 2 CA GLY A 784 26.264 4.059 -25.902 1.00 0.00 C ATOM 3 C GLY A 784 24.799 4.328 -26.187 1.00 0.00 C ATOM 4 O GLY A 784 24.463 5.254 -26.924 1.00 0.00 O ATOM 0 HA2 GLY A 784 26.618 3.262 -26.556 1.00 0.00 H new ATOM 0 HA3 GLY A 784 26.372 3.703 -24.878 1.00 0.00 H new ATOM 8 N SER A 785 23.925 3.515 -25.601 1.00 0.00 N ATOM 9 CA SER A 785 22.489 3.666 -25.800 1.00 0.00 C ATOM 10 C SER A 785 21.750 3.639 -24.465 1.00 0.00 C ATOM 11 O SER A 785 21.932 2.725 -23.661 1.00 0.00 O ATOM 12 CB SER A 785 21.959 2.558 -26.712 1.00 0.00 C ATOM 13 OG SER A 785 22.300 2.805 -28.065 1.00 0.00 O ATOM 0 H SER A 785 24.187 2.745 -24.985 1.00 0.00 H new ATOM 0 HA SER A 785 22.313 4.632 -26.274 1.00 0.00 H new ATOM 0 HB2 SER A 785 22.370 1.598 -26.400 1.00 0.00 H new ATOM 0 HB3 SER A 785 20.876 2.489 -26.613 1.00 0.00 H new ATOM 0 HG SER A 785 21.952 2.082 -28.627 1.00 0.00 H new ATOM 19 N SER A 786 20.916 4.649 -24.237 1.00 0.00 N ATOM 20 CA SER A 786 20.152 4.744 -22.999 1.00 0.00 C ATOM 21 C SER A 786 19.438 3.429 -22.699 1.00 0.00 C ATOM 22 O SER A 786 18.495 3.049 -23.392 1.00 0.00 O ATOM 23 CB SER A 786 19.133 5.881 -23.089 1.00 0.00 C ATOM 24 OG SER A 786 18.455 6.058 -21.858 1.00 0.00 O ATOM 0 H SER A 786 20.753 5.412 -24.893 1.00 0.00 H new ATOM 0 HA SER A 786 20.848 4.953 -22.187 1.00 0.00 H new ATOM 0 HB2 SER A 786 19.639 6.806 -23.365 1.00 0.00 H new ATOM 0 HB3 SER A 786 18.412 5.665 -23.877 1.00 0.00 H new ATOM 0 HG SER A 786 17.811 6.792 -21.942 1.00 0.00 H new ATOM 30 N GLY A 787 19.895 2.738 -21.659 1.00 0.00 N ATOM 31 CA GLY A 787 19.290 1.473 -21.284 1.00 0.00 C ATOM 32 C GLY A 787 20.206 0.293 -21.541 1.00 0.00 C ATOM 33 O GLY A 787 21.354 0.282 -21.097 1.00 0.00 O ATOM 0 H GLY A 787 20.674 3.032 -21.069 1.00 0.00 H new ATOM 0 HA2 GLY A 787 19.025 1.500 -20.227 1.00 0.00 H new ATOM 0 HA3 GLY A 787 18.363 1.338 -21.842 1.00 0.00 H new ATOM 37 N SER A 788 19.697 -0.703 -22.259 1.00 0.00 N ATOM 38 CA SER A 788 20.476 -1.896 -22.569 1.00 0.00 C ATOM 39 C SER A 788 20.268 -2.318 -24.021 1.00 0.00 C ATOM 40 O SER A 788 19.161 -2.230 -24.551 1.00 0.00 O ATOM 41 CB SER A 788 20.089 -3.042 -21.632 1.00 0.00 C ATOM 42 OG SER A 788 20.227 -2.660 -20.275 1.00 0.00 O ATOM 0 H SER A 788 18.749 -0.708 -22.637 1.00 0.00 H new ATOM 0 HA SER A 788 21.530 -1.659 -22.425 1.00 0.00 H new ATOM 0 HB2 SER A 788 19.059 -3.342 -21.826 1.00 0.00 H new ATOM 0 HB3 SER A 788 20.717 -3.909 -21.835 1.00 0.00 H new ATOM 0 HG SER A 788 19.972 -3.409 -19.697 1.00 0.00 H new ATOM 48 N SER A 789 21.341 -2.777 -24.657 1.00 0.00 N ATOM 49 CA SER A 789 21.279 -3.209 -26.048 1.00 0.00 C ATOM 50 C SER A 789 20.129 -4.190 -26.261 1.00 0.00 C ATOM 51 O SER A 789 20.031 -5.207 -25.576 1.00 0.00 O ATOM 52 CB SER A 789 22.601 -3.858 -26.462 1.00 0.00 C ATOM 53 OG SER A 789 22.735 -3.886 -27.873 1.00 0.00 O ATOM 0 H SER A 789 22.264 -2.859 -24.231 1.00 0.00 H new ATOM 0 HA SER A 789 21.104 -2.330 -26.668 1.00 0.00 H new ATOM 0 HB2 SER A 789 23.433 -3.306 -26.025 1.00 0.00 H new ATOM 0 HB3 SER A 789 22.650 -4.873 -26.069 1.00 0.00 H new ATOM 0 HG SER A 789 23.589 -4.304 -28.112 1.00 0.00 H new ATOM 59 N GLY A 790 19.260 -3.875 -27.216 1.00 0.00 N ATOM 60 CA GLY A 790 18.128 -4.736 -27.503 1.00 0.00 C ATOM 61 C GLY A 790 16.905 -4.380 -26.682 1.00 0.00 C ATOM 62 O GLY A 790 15.891 -3.941 -27.224 1.00 0.00 O ATOM 0 H GLY A 790 19.320 -3.038 -27.796 1.00 0.00 H new ATOM 0 HA2 GLY A 790 17.883 -4.667 -28.563 1.00 0.00 H new ATOM 0 HA3 GLY A 790 18.405 -5.772 -27.307 1.00 0.00 H new ATOM 66 N VAL A 791 16.999 -4.571 -25.370 1.00 0.00 N ATOM 67 CA VAL A 791 15.892 -4.268 -24.472 1.00 0.00 C ATOM 68 C VAL A 791 15.378 -2.849 -24.692 1.00 0.00 C ATOM 69 O VAL A 791 16.074 -1.874 -24.410 1.00 0.00 O ATOM 70 CB VAL A 791 16.305 -4.428 -22.997 1.00 0.00 C ATOM 71 CG1 VAL A 791 15.154 -4.054 -22.076 1.00 0.00 C ATOM 72 CG2 VAL A 791 16.773 -5.850 -22.727 1.00 0.00 C ATOM 0 H VAL A 791 17.831 -4.934 -24.906 1.00 0.00 H new ATOM 0 HA VAL A 791 15.098 -4.979 -24.699 1.00 0.00 H new ATOM 0 HB VAL A 791 17.135 -3.751 -22.795 1.00 0.00 H new ATOM 0 HG11 VAL A 791 15.465 -4.173 -21.038 1.00 0.00 H new ATOM 0 HG12 VAL A 791 14.869 -3.017 -22.252 1.00 0.00 H new ATOM 0 HG13 VAL A 791 14.302 -4.703 -22.276 1.00 0.00 H new ATOM 0 HG21 VAL A 791 17.061 -5.946 -21.680 1.00 0.00 H new ATOM 0 HG22 VAL A 791 15.964 -6.547 -22.946 1.00 0.00 H new ATOM 0 HG23 VAL A 791 17.630 -6.078 -23.361 1.00 0.00 H new ATOM 82 N PHE A 792 14.154 -2.742 -25.199 1.00 0.00 N ATOM 83 CA PHE A 792 13.546 -1.442 -25.459 1.00 0.00 C ATOM 84 C PHE A 792 12.862 -0.902 -24.206 1.00 0.00 C ATOM 85 O PHE A 792 13.082 0.244 -23.811 1.00 0.00 O ATOM 86 CB PHE A 792 12.534 -1.548 -26.601 1.00 0.00 C ATOM 87 CG PHE A 792 13.036 -2.338 -27.776 1.00 0.00 C ATOM 88 CD1 PHE A 792 13.785 -1.728 -28.768 1.00 0.00 C ATOM 89 CD2 PHE A 792 12.757 -3.691 -27.887 1.00 0.00 C ATOM 90 CE1 PHE A 792 14.249 -2.453 -29.850 1.00 0.00 C ATOM 91 CE2 PHE A 792 13.218 -4.420 -28.967 1.00 0.00 C ATOM 92 CZ PHE A 792 13.964 -3.800 -29.950 1.00 0.00 C ATOM 0 H PHE A 792 13.564 -3.539 -25.438 1.00 0.00 H new ATOM 0 HA PHE A 792 14.337 -0.749 -25.747 1.00 0.00 H new ATOM 0 HB2 PHE A 792 11.622 -2.011 -26.225 1.00 0.00 H new ATOM 0 HB3 PHE A 792 12.268 -0.545 -26.935 1.00 0.00 H new ATOM 0 HD1 PHE A 792 14.009 -0.674 -28.696 1.00 0.00 H new ATOM 0 HD2 PHE A 792 12.173 -4.181 -27.122 1.00 0.00 H new ATOM 0 HE1 PHE A 792 14.834 -1.966 -30.616 1.00 0.00 H new ATOM 0 HE2 PHE A 792 12.995 -5.474 -29.042 1.00 0.00 H new ATOM 0 HZ PHE A 792 14.324 -4.368 -30.795 1.00 0.00 H new ATOM 102 N ARG A 793 12.031 -1.734 -23.587 1.00 0.00 N ATOM 103 CA ARG A 793 11.313 -1.340 -22.381 1.00 0.00 C ATOM 104 C ARG A 793 12.187 -1.524 -21.144 1.00 0.00 C ATOM 105 O ARG A 793 12.948 -2.487 -21.045 1.00 0.00 O ATOM 106 CB ARG A 793 10.029 -2.158 -22.237 1.00 0.00 C ATOM 107 CG ARG A 793 8.933 -1.748 -23.207 1.00 0.00 C ATOM 108 CD ARG A 793 7.760 -2.715 -23.164 1.00 0.00 C ATOM 109 NE ARG A 793 7.066 -2.791 -24.447 1.00 0.00 N ATOM 110 CZ ARG A 793 7.593 -3.340 -25.536 1.00 0.00 C ATOM 111 NH1 ARG A 793 8.812 -3.859 -25.497 1.00 0.00 N ATOM 112 NH2 ARG A 793 6.898 -3.372 -26.666 1.00 0.00 N ATOM 0 H ARG A 793 11.838 -2.685 -23.901 1.00 0.00 H new ATOM 0 HA ARG A 793 11.056 -0.285 -22.470 1.00 0.00 H new ATOM 0 HB2 ARG A 793 10.261 -3.212 -22.389 1.00 0.00 H new ATOM 0 HB3 ARG A 793 9.657 -2.057 -21.218 1.00 0.00 H new ATOM 0 HG2 ARG A 793 8.587 -0.744 -22.963 1.00 0.00 H new ATOM 0 HG3 ARG A 793 9.337 -1.709 -24.219 1.00 0.00 H new ATOM 0 HD2 ARG A 793 8.118 -3.706 -22.886 1.00 0.00 H new ATOM 0 HD3 ARG A 793 7.059 -2.401 -22.391 1.00 0.00 H new ATOM 0 HE ARG A 793 6.125 -2.401 -24.510 1.00 0.00 H new ATOM 0 HH11 ARG A 793 9.348 -3.838 -24.629 1.00 0.00 H new ATOM 0 HH12 ARG A 793 9.214 -4.280 -26.335 1.00 0.00 H new ATOM 0 HH21 ARG A 793 5.959 -2.975 -26.699 1.00 0.00 H new ATOM 0 HH22 ARG A 793 7.303 -3.794 -27.502 1.00 0.00 H new ATOM 126 N TYR A 794 12.074 -0.593 -20.203 1.00 0.00 N ATOM 127 CA TYR A 794 12.856 -0.650 -18.973 1.00 0.00 C ATOM 128 C TYR A 794 12.419 -1.825 -18.104 1.00 0.00 C ATOM 129 O TYR A 794 13.247 -2.600 -17.626 1.00 0.00 O ATOM 130 CB TYR A 794 12.714 0.658 -18.193 1.00 0.00 C ATOM 131 CG TYR A 794 13.516 0.688 -16.911 1.00 0.00 C ATOM 132 CD1 TYR A 794 14.905 0.706 -16.939 1.00 0.00 C ATOM 133 CD2 TYR A 794 12.885 0.700 -15.674 1.00 0.00 C ATOM 134 CE1 TYR A 794 15.642 0.734 -15.770 1.00 0.00 C ATOM 135 CE2 TYR A 794 13.614 0.729 -14.500 1.00 0.00 C ATOM 136 CZ TYR A 794 14.992 0.745 -14.554 1.00 0.00 C ATOM 137 OH TYR A 794 15.722 0.774 -13.388 1.00 0.00 O ATOM 0 H TYR A 794 11.449 0.210 -20.268 1.00 0.00 H new ATOM 0 HA TYR A 794 13.902 -0.792 -19.243 1.00 0.00 H new ATOM 0 HB2 TYR A 794 13.029 1.486 -18.828 1.00 0.00 H new ATOM 0 HB3 TYR A 794 11.662 0.819 -17.958 1.00 0.00 H new ATOM 0 HD1 TYR A 794 15.417 0.698 -17.890 1.00 0.00 H new ATOM 0 HD2 TYR A 794 11.806 0.686 -15.628 1.00 0.00 H new ATOM 0 HE1 TYR A 794 16.721 0.747 -15.809 1.00 0.00 H new ATOM 0 HE2 TYR A 794 13.108 0.739 -13.546 1.00 0.00 H new ATOM 0 HH TYR A 794 15.113 0.779 -12.621 1.00 0.00 H new ATOM 147 N SER A 795 11.110 -1.949 -17.903 1.00 0.00 N ATOM 148 CA SER A 795 10.561 -3.027 -17.089 1.00 0.00 C ATOM 149 C SER A 795 9.326 -3.631 -17.749 1.00 0.00 C ATOM 150 O SER A 795 8.470 -2.913 -18.268 1.00 0.00 O ATOM 151 CB SER A 795 10.207 -2.510 -15.693 1.00 0.00 C ATOM 152 OG SER A 795 11.372 -2.154 -14.970 1.00 0.00 O ATOM 0 H SER A 795 10.411 -1.317 -18.293 1.00 0.00 H new ATOM 0 HA SER A 795 11.320 -3.804 -16.999 1.00 0.00 H new ATOM 0 HB2 SER A 795 9.550 -1.645 -15.778 1.00 0.00 H new ATOM 0 HB3 SER A 795 9.656 -3.276 -15.147 1.00 0.00 H new ATOM 0 HG SER A 795 11.704 -1.289 -15.290 1.00 0.00 H new ATOM 158 N THR A 796 9.238 -4.958 -17.725 1.00 0.00 N ATOM 159 CA THR A 796 8.109 -5.660 -18.321 1.00 0.00 C ATOM 160 C THR A 796 6.866 -5.544 -17.447 1.00 0.00 C ATOM 161 O THR A 796 5.804 -6.065 -17.789 1.00 0.00 O ATOM 162 CB THR A 796 8.429 -7.150 -18.544 1.00 0.00 C ATOM 163 OG1 THR A 796 7.263 -7.837 -19.011 1.00 0.00 O ATOM 164 CG2 THR A 796 8.924 -7.796 -17.258 1.00 0.00 C ATOM 0 H THR A 796 9.936 -5.568 -17.299 1.00 0.00 H new ATOM 0 HA THR A 796 7.917 -5.189 -19.285 1.00 0.00 H new ATOM 0 HB THR A 796 9.217 -7.221 -19.294 1.00 0.00 H new ATOM 0 HG1 THR A 796 6.483 -7.249 -18.931 1.00 0.00 H new ATOM 0 HG21 THR A 796 9.143 -8.848 -17.440 1.00 0.00 H new ATOM 0 HG22 THR A 796 9.829 -7.290 -16.921 1.00 0.00 H new ATOM 0 HG23 THR A 796 8.155 -7.714 -16.490 1.00 0.00 H new ATOM 172 N SER A 797 7.004 -4.858 -16.317 1.00 0.00 N ATOM 173 CA SER A 797 5.892 -4.677 -15.392 1.00 0.00 C ATOM 174 C SER A 797 5.737 -3.208 -15.009 1.00 0.00 C ATOM 175 O SER A 797 6.710 -2.541 -14.655 1.00 0.00 O ATOM 176 CB SER A 797 6.103 -5.523 -14.135 1.00 0.00 C ATOM 177 OG SER A 797 5.820 -6.889 -14.386 1.00 0.00 O ATOM 0 H SER A 797 7.875 -4.418 -16.020 1.00 0.00 H new ATOM 0 HA SER A 797 4.980 -5.003 -15.892 1.00 0.00 H new ATOM 0 HB2 SER A 797 7.132 -5.419 -13.791 1.00 0.00 H new ATOM 0 HB3 SER A 797 5.461 -5.157 -13.334 1.00 0.00 H new ATOM 0 HG SER A 797 5.964 -7.409 -13.568 1.00 0.00 H new ATOM 183 N LEU A 798 4.508 -2.710 -15.084 1.00 0.00 N ATOM 184 CA LEU A 798 4.224 -1.320 -14.746 1.00 0.00 C ATOM 185 C LEU A 798 3.084 -1.227 -13.737 1.00 0.00 C ATOM 186 O LEU A 798 2.510 -0.158 -13.532 1.00 0.00 O ATOM 187 CB LEU A 798 3.869 -0.530 -16.007 1.00 0.00 C ATOM 188 CG LEU A 798 3.148 -1.310 -17.107 1.00 0.00 C ATOM 189 CD1 LEU A 798 4.076 -2.345 -17.724 1.00 0.00 C ATOM 190 CD2 LEU A 798 1.896 -1.976 -16.555 1.00 0.00 C ATOM 0 H LEU A 798 3.692 -3.248 -15.376 1.00 0.00 H new ATOM 0 HA LEU A 798 5.119 -0.891 -14.296 1.00 0.00 H new ATOM 0 HB2 LEU A 798 3.243 0.314 -15.718 1.00 0.00 H new ATOM 0 HB3 LEU A 798 4.788 -0.118 -16.424 1.00 0.00 H new ATOM 0 HG LEU A 798 2.850 -0.609 -17.887 1.00 0.00 H new ATOM 0 HD11 LEU A 798 3.545 -2.890 -18.505 1.00 0.00 H new ATOM 0 HD12 LEU A 798 4.943 -1.845 -18.156 1.00 0.00 H new ATOM 0 HD13 LEU A 798 4.406 -3.043 -16.954 1.00 0.00 H new ATOM 0 HD21 LEU A 798 1.395 -2.527 -17.351 1.00 0.00 H new ATOM 0 HD22 LEU A 798 2.172 -2.664 -15.756 1.00 0.00 H new ATOM 0 HD23 LEU A 798 1.222 -1.215 -16.161 1.00 0.00 H new ATOM 202 N GLU A 799 2.764 -2.353 -13.108 1.00 0.00 N ATOM 203 CA GLU A 799 1.693 -2.398 -12.119 1.00 0.00 C ATOM 204 C GLU A 799 2.142 -1.767 -10.803 1.00 0.00 C ATOM 205 O GLU A 799 2.378 -2.464 -9.816 1.00 0.00 O ATOM 206 CB GLU A 799 1.249 -3.842 -11.879 1.00 0.00 C ATOM 207 CG GLU A 799 0.658 -4.509 -13.110 1.00 0.00 C ATOM 208 CD GLU A 799 0.421 -5.993 -12.912 1.00 0.00 C ATOM 209 OE1 GLU A 799 -0.211 -6.364 -11.901 1.00 0.00 O ATOM 210 OE2 GLU A 799 0.867 -6.784 -13.770 1.00 0.00 O ATOM 0 H GLU A 799 3.231 -3.246 -13.265 1.00 0.00 H new ATOM 0 HA GLU A 799 0.850 -1.827 -12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 799 2.104 -4.424 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 799 0.510 -3.858 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 799 -0.285 -4.025 -13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 799 1.329 -4.362 -13.956 1.00 0.00 H new ATOM 217 N LYS A 800 2.258 -0.444 -10.797 1.00 0.00 N ATOM 218 CA LYS A 800 2.677 0.283 -9.605 1.00 0.00 C ATOM 219 C LYS A 800 1.499 1.017 -8.973 1.00 0.00 C ATOM 220 O LYS A 800 1.676 2.034 -8.301 1.00 0.00 O ATOM 221 CB LYS A 800 3.786 1.279 -9.953 1.00 0.00 C ATOM 222 CG LYS A 800 3.641 1.891 -11.335 1.00 0.00 C ATOM 223 CD LYS A 800 4.472 3.155 -11.474 1.00 0.00 C ATOM 224 CE LYS A 800 3.829 4.328 -10.751 1.00 0.00 C ATOM 225 NZ LYS A 800 4.842 5.308 -10.271 1.00 0.00 N ATOM 0 H LYS A 800 2.067 0.148 -11.606 1.00 0.00 H new ATOM 0 HA LYS A 800 3.060 -0.440 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 800 3.793 2.077 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 800 4.750 0.774 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 800 3.949 1.167 -12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 800 2.592 2.121 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 800 5.470 2.981 -11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.592 3.399 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.129 4.828 -11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.251 3.959 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 4.363 6.092 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 5.495 4.838 -9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 5.377 5.680 -11.082 1.00 0.00 H new ATOM 239 N HIS A 801 0.296 0.495 -9.191 1.00 0.00 N ATOM 240 CA HIS A 801 -0.911 1.101 -8.641 1.00 0.00 C ATOM 241 C HIS A 801 -1.067 0.757 -7.162 1.00 0.00 C ATOM 242 O HIS A 801 -1.365 1.624 -6.340 1.00 0.00 O ATOM 243 CB HIS A 801 -2.142 0.632 -9.417 1.00 0.00 C ATOM 244 CG HIS A 801 -2.348 -0.851 -9.375 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.498 -1.746 -9.990 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.312 -1.595 -8.785 1.00 0.00 C ATOM 247 CE1 HIS A 801 -1.932 -2.976 -9.782 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.032 -2.912 -9.053 1.00 0.00 N ATOM 0 H HIS A 801 0.131 -0.346 -9.744 1.00 0.00 H new ATOM 0 HA HIS A 801 -0.820 2.183 -8.737 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.026 1.125 -9.012 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.049 0.948 -10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.147 -1.222 -8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.467 -3.880 -10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -3.583 -3.711 -8.740 1.00 0.00 H new ATOM 256 N LYS A 802 -0.863 -0.513 -6.831 1.00 0.00 N ATOM 257 CA LYS A 802 -0.980 -0.973 -5.452 1.00 0.00 C ATOM 258 C LYS A 802 0.041 -0.276 -4.558 1.00 0.00 C ATOM 259 O LYS A 802 1.022 0.289 -5.042 1.00 0.00 O ATOM 260 CB LYS A 802 -0.784 -2.489 -5.380 1.00 0.00 C ATOM 261 CG LYS A 802 -1.853 -3.276 -6.119 1.00 0.00 C ATOM 262 CD LYS A 802 -1.921 -4.715 -5.636 1.00 0.00 C ATOM 263 CE LYS A 802 -2.953 -5.517 -6.414 1.00 0.00 C ATOM 264 NZ LYS A 802 -2.419 -5.985 -7.723 1.00 0.00 N ATOM 0 H LYS A 802 -0.616 -1.243 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.980 -0.724 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.192 -2.741 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.776 -2.797 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.822 -2.797 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -1.644 -3.260 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -0.942 -5.182 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -2.170 -4.732 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -3.267 -6.376 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.839 -4.904 -6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -3.195 -6.378 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -1.988 -5.185 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -1.701 -6.720 -7.562 1.00 0.00 H new ATOM 278 N LEU A 803 -0.197 -0.319 -3.252 1.00 0.00 N ATOM 279 CA LEU A 803 0.703 0.307 -2.289 1.00 0.00 C ATOM 280 C LEU A 803 0.936 -0.604 -1.089 1.00 0.00 C ATOM 281 O LEU A 803 0.160 -1.525 -0.835 1.00 0.00 O ATOM 282 CB LEU A 803 0.130 1.647 -1.824 1.00 0.00 C ATOM 283 CG LEU A 803 -0.437 2.551 -2.918 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.385 3.581 -2.323 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.688 3.237 -3.680 1.00 0.00 C ATOM 0 H LEU A 803 -1.005 -0.781 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 803 1.660 0.479 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.659 1.450 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.915 2.193 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 803 -0.999 1.932 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.778 4.215 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.209 3.071 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.848 4.196 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.265 3.877 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.278 3.842 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.328 2.484 -4.140 1.00 0.00 H new ATOM 297 N PHE A 804 2.009 -0.339 -0.351 1.00 0.00 N ATOM 298 CA PHE A 804 2.344 -1.134 0.825 1.00 0.00 C ATOM 299 C PHE A 804 2.749 -0.237 1.991 1.00 0.00 C ATOM 300 O PHE A 804 3.560 0.675 1.833 1.00 0.00 O ATOM 301 CB PHE A 804 3.477 -2.110 0.500 1.00 0.00 C ATOM 302 CG PHE A 804 4.183 -2.634 1.718 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.659 -3.697 2.436 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.372 -2.064 2.145 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.307 -4.182 3.556 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.024 -2.545 3.264 1.00 0.00 C ATOM 307 CZ PHE A 804 5.491 -3.604 3.971 1.00 0.00 C ATOM 0 H PHE A 804 2.662 0.420 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 804 1.458 -1.699 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.072 -2.950 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.202 -1.612 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.733 -4.152 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.794 -1.234 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.888 -5.012 4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.950 -2.093 3.586 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.999 -3.980 4.847 1.00 0.00 H new ATOM 317 N ILE A 805 2.177 -0.504 3.160 1.00 0.00 N ATOM 318 CA ILE A 805 2.478 0.278 4.353 1.00 0.00 C ATOM 319 C ILE A 805 2.928 -0.620 5.500 1.00 0.00 C ATOM 320 O ILE A 805 2.511 -1.774 5.600 1.00 0.00 O ATOM 321 CB ILE A 805 1.259 1.102 4.809 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.594 1.777 3.608 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.676 2.138 5.842 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.518 2.729 3.988 1.00 0.00 C ATOM 0 H ILE A 805 1.503 -1.255 3.307 1.00 0.00 H new ATOM 0 HA ILE A 805 3.287 0.958 4.088 1.00 0.00 H new ATOM 0 HB ILE A 805 0.536 0.429 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.350 2.322 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.193 1.009 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.804 2.712 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.108 1.636 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.415 2.810 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.943 3.170 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.294 2.185 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.119 3.518 4.625 1.00 0.00 H new ATOM 336 N SER A 806 3.782 -0.083 6.366 1.00 0.00 N ATOM 337 CA SER A 806 4.291 -0.836 7.506 1.00 0.00 C ATOM 338 C SER A 806 4.457 0.068 8.724 1.00 0.00 C ATOM 339 O SER A 806 4.708 1.265 8.593 1.00 0.00 O ATOM 340 CB SER A 806 5.628 -1.490 7.156 1.00 0.00 C ATOM 341 OG SER A 806 6.588 -0.518 6.779 1.00 0.00 O ATOM 0 H SER A 806 4.136 0.871 6.299 1.00 0.00 H new ATOM 0 HA SER A 806 3.567 -1.614 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.995 -2.055 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.487 -2.201 6.342 1.00 0.00 H new ATOM 0 HG SER A 806 7.435 -0.961 6.562 1.00 0.00 H new ATOM 347 N GLY A 807 4.315 -0.516 9.910 1.00 0.00 N ATOM 348 CA GLY A 807 4.452 0.250 11.135 1.00 0.00 C ATOM 349 C GLY A 807 3.185 0.999 11.496 1.00 0.00 C ATOM 350 O GLY A 807 3.235 2.156 11.914 1.00 0.00 O ATOM 0 H GLY A 807 4.108 -1.506 10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.719 -0.421 11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.272 0.960 11.026 1.00 0.00 H new ATOM 354 N LEU A 808 2.043 0.339 11.333 1.00 0.00 N ATOM 355 CA LEU A 808 0.755 0.949 11.644 1.00 0.00 C ATOM 356 C LEU A 808 0.294 0.564 13.046 1.00 0.00 C ATOM 357 O LEU A 808 0.507 -0.556 13.511 1.00 0.00 O ATOM 358 CB LEU A 808 -0.294 0.524 10.615 1.00 0.00 C ATOM 359 CG LEU A 808 -0.225 1.225 9.258 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.065 0.482 8.230 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.685 2.671 9.381 1.00 0.00 C ATOM 0 H LEU A 808 1.983 -0.619 10.987 1.00 0.00 H new ATOM 0 HA LEU A 808 0.875 2.032 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.200 -0.550 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.282 0.696 11.041 1.00 0.00 H new ATOM 0 HG LEU A 808 0.812 1.222 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -1.004 0.995 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.691 -0.536 8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.103 0.453 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.629 3.155 8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.714 2.696 9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.042 3.199 10.085 1.00 0.00 H new ATOM 373 N PRO A 809 -0.355 1.513 13.737 1.00 0.00 N ATOM 374 CA PRO A 809 -0.863 1.296 15.095 1.00 0.00 C ATOM 375 C PRO A 809 -2.041 0.329 15.126 1.00 0.00 C ATOM 376 O PRO A 809 -3.080 0.581 14.514 1.00 0.00 O ATOM 377 CB PRO A 809 -1.306 2.693 15.536 1.00 0.00 C ATOM 378 CG PRO A 809 -1.605 3.413 14.267 1.00 0.00 C ATOM 379 CD PRO A 809 -0.644 2.871 13.246 1.00 0.00 C ATOM 0 HA PRO A 809 -0.111 0.848 15.744 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -2.184 2.645 16.180 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.522 3.197 16.102 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.637 3.247 13.958 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.478 4.489 14.390 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -1.085 2.853 12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.260 3.477 13.184 1.00 0.00 H new ATOM 387 N PHE A 810 -1.874 -0.778 15.841 1.00 0.00 N ATOM 388 CA PHE A 810 -2.925 -1.783 15.951 1.00 0.00 C ATOM 389 C PHE A 810 -4.287 -1.127 16.157 1.00 0.00 C ATOM 390 O PHE A 810 -5.307 -1.626 15.682 1.00 0.00 O ATOM 391 CB PHE A 810 -2.627 -2.739 17.108 1.00 0.00 C ATOM 392 CG PHE A 810 -1.166 -3.050 17.268 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.516 -3.872 16.361 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.443 -2.522 18.325 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.828 -4.160 16.504 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.901 -2.806 18.473 1.00 0.00 C ATOM 397 CZ PHE A 810 1.537 -3.627 17.563 1.00 0.00 C ATOM 0 H PHE A 810 -1.021 -1.002 16.353 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.951 -2.348 15.019 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -3.001 -2.303 18.034 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.173 -3.669 16.950 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -1.066 -4.293 15.532 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.935 -1.881 19.041 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.323 -4.801 15.789 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.454 -2.386 19.300 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.587 -3.852 17.679 1.00 0.00 H new ATOM 407 N SER A 811 -4.294 -0.004 16.869 1.00 0.00 N ATOM 408 CA SER A 811 -5.530 0.719 17.143 1.00 0.00 C ATOM 409 C SER A 811 -6.275 1.031 15.848 1.00 0.00 C ATOM 410 O SER A 811 -7.465 0.741 15.718 1.00 0.00 O ATOM 411 CB SER A 811 -5.231 2.016 17.897 1.00 0.00 C ATOM 412 OG SER A 811 -4.544 1.754 19.109 1.00 0.00 O ATOM 0 H SER A 811 -3.458 0.424 17.266 1.00 0.00 H new ATOM 0 HA SER A 811 -6.163 0.084 17.763 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.630 2.675 17.270 1.00 0.00 H new ATOM 0 HB3 SER A 811 -6.163 2.540 18.109 1.00 0.00 H new ATOM 0 HG SER A 811 -4.363 2.599 19.572 1.00 0.00 H new ATOM 418 N CYS A 812 -5.566 1.624 14.894 1.00 0.00 N ATOM 419 CA CYS A 812 -6.159 1.976 13.608 1.00 0.00 C ATOM 420 C CYS A 812 -7.015 0.833 13.072 1.00 0.00 C ATOM 421 O CYS A 812 -6.884 -0.312 13.507 1.00 0.00 O ATOM 422 CB CYS A 812 -5.066 2.328 12.599 1.00 0.00 C ATOM 423 SG CYS A 812 -5.686 3.044 11.058 1.00 0.00 S ATOM 0 H CYS A 812 -4.581 1.871 14.986 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.800 2.845 13.757 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.373 3.031 13.061 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.498 1.427 12.366 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.687 3.310 10.270 1.00 0.00 H new ATOM 429 N THR A 813 -7.892 1.151 12.125 1.00 0.00 N ATOM 430 CA THR A 813 -8.771 0.152 11.532 1.00 0.00 C ATOM 431 C THR A 813 -8.929 0.379 10.033 1.00 0.00 C ATOM 432 O THR A 813 -8.770 1.498 9.543 1.00 0.00 O ATOM 433 CB THR A 813 -10.164 0.167 12.190 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.946 -0.931 11.708 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.885 1.475 11.902 1.00 0.00 C ATOM 0 H THR A 813 -8.012 2.093 11.753 1.00 0.00 H new ATOM 0 HA THR A 813 -8.306 -0.819 11.704 1.00 0.00 H new ATOM 0 HB THR A 813 -10.033 0.073 13.268 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.829 -0.915 12.133 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.866 1.462 12.377 1.00 0.00 H new ATOM 0 HG22 THR A 813 -10.302 2.307 12.297 1.00 0.00 H new ATOM 0 HG23 THR A 813 -11.005 1.595 10.825 1.00 0.00 H new ATOM 443 N LYS A 814 -9.242 -0.688 9.307 1.00 0.00 N ATOM 444 CA LYS A 814 -9.423 -0.606 7.862 1.00 0.00 C ATOM 445 C LYS A 814 -10.200 0.650 7.482 1.00 0.00 C ATOM 446 O LYS A 814 -9.719 1.477 6.708 1.00 0.00 O ATOM 447 CB LYS A 814 -10.155 -1.847 7.348 1.00 0.00 C ATOM 448 CG LYS A 814 -9.810 -2.207 5.913 1.00 0.00 C ATOM 449 CD LYS A 814 -10.275 -3.610 5.562 1.00 0.00 C ATOM 450 CE LYS A 814 -11.703 -3.610 5.040 1.00 0.00 C ATOM 451 NZ LYS A 814 -12.146 -4.973 4.636 1.00 0.00 N ATOM 0 H LYS A 814 -9.376 -1.621 9.696 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.437 -0.556 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.916 -2.692 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.230 -1.682 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -10.273 -1.489 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -8.732 -2.133 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -9.612 -4.037 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -10.209 -4.247 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -12.371 -3.224 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -11.778 -2.936 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -13.124 -4.930 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -11.524 -5.331 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -12.099 -5.611 5.456 1.00 0.00 H new ATOM 465 N GLU A 815 -11.402 0.786 8.033 1.00 0.00 N ATOM 466 CA GLU A 815 -12.245 1.942 7.751 1.00 0.00 C ATOM 467 C GLU A 815 -11.428 3.231 7.785 1.00 0.00 C ATOM 468 O GLU A 815 -11.231 3.880 6.758 1.00 0.00 O ATOM 469 CB GLU A 815 -13.391 2.025 8.761 1.00 0.00 C ATOM 470 CG GLU A 815 -14.346 0.845 8.695 1.00 0.00 C ATOM 471 CD GLU A 815 -15.100 0.777 7.380 1.00 0.00 C ATOM 472 OE1 GLU A 815 -14.548 0.222 6.407 1.00 0.00 O ATOM 473 OE2 GLU A 815 -16.242 1.280 7.325 1.00 0.00 O ATOM 0 H GLU A 815 -11.814 0.110 8.677 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.661 1.821 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.974 2.089 9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.950 2.945 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -13.786 -0.079 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -15.060 0.914 9.516 1.00 0.00 H new ATOM 480 N GLU A 816 -10.957 3.595 8.974 1.00 0.00 N ATOM 481 CA GLU A 816 -10.164 4.807 9.142 1.00 0.00 C ATOM 482 C GLU A 816 -9.199 4.992 7.974 1.00 0.00 C ATOM 483 O GLU A 816 -9.326 5.936 7.193 1.00 0.00 O ATOM 484 CB GLU A 816 -9.385 4.755 10.458 1.00 0.00 C ATOM 485 CG GLU A 816 -10.220 5.120 11.674 1.00 0.00 C ATOM 486 CD GLU A 816 -10.489 6.609 11.771 1.00 0.00 C ATOM 487 OE1 GLU A 816 -10.725 7.239 10.719 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.463 7.145 12.899 1.00 0.00 O ATOM 0 H GLU A 816 -11.111 3.068 9.834 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.846 5.657 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.982 3.751 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -8.535 5.434 10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -11.169 4.585 11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -9.706 4.788 12.576 1.00 0.00 H new ATOM 495 N LEU A 817 -8.235 4.086 7.862 1.00 0.00 N ATOM 496 CA LEU A 817 -7.247 4.148 6.791 1.00 0.00 C ATOM 497 C LEU A 817 -7.917 4.415 5.447 1.00 0.00 C ATOM 498 O LEU A 817 -7.637 5.419 4.793 1.00 0.00 O ATOM 499 CB LEU A 817 -6.452 2.842 6.726 1.00 0.00 C ATOM 500 CG LEU A 817 -5.094 2.916 6.028 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.150 3.831 6.792 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.492 1.526 5.882 1.00 0.00 C ATOM 0 H LEU A 817 -8.116 3.299 8.500 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.565 4.971 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.296 2.484 7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -7.060 2.095 6.216 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.242 3.332 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.189 3.871 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.576 4.833 6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -4.008 3.446 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.526 1.599 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.359 1.082 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.160 0.901 5.290 1.00 0.00 H new ATOM 514 N GLU A 818 -8.805 3.512 5.044 1.00 0.00 N ATOM 515 CA GLU A 818 -9.516 3.652 3.778 1.00 0.00 C ATOM 516 C GLU A 818 -9.873 5.112 3.514 1.00 0.00 C ATOM 517 O GLU A 818 -9.448 5.694 2.517 1.00 0.00 O ATOM 518 CB GLU A 818 -10.785 2.798 3.784 1.00 0.00 C ATOM 519 CG GLU A 818 -11.502 2.765 2.445 1.00 0.00 C ATOM 520 CD GLU A 818 -12.360 1.526 2.272 1.00 0.00 C ATOM 521 OE1 GLU A 818 -12.051 0.498 2.911 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.339 1.585 1.500 1.00 0.00 O ATOM 0 H GLU A 818 -9.049 2.676 5.575 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.858 3.307 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.526 1.779 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.467 3.181 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -12.128 3.652 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -10.766 2.808 1.642 1.00 0.00 H new ATOM 529 N GLU A 819 -10.657 5.695 4.415 1.00 0.00 N ATOM 530 CA GLU A 819 -11.073 7.086 4.278 1.00 0.00 C ATOM 531 C GLU A 819 -9.878 7.983 3.965 1.00 0.00 C ATOM 532 O GLU A 819 -9.894 8.737 2.992 1.00 0.00 O ATOM 533 CB GLU A 819 -11.761 7.564 5.559 1.00 0.00 C ATOM 534 CG GLU A 819 -13.151 6.983 5.756 1.00 0.00 C ATOM 535 CD GLU A 819 -14.056 7.896 6.560 1.00 0.00 C ATOM 536 OE1 GLU A 819 -13.860 7.993 7.790 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.960 8.514 5.960 1.00 0.00 O ATOM 0 H GLU A 819 -11.017 5.227 5.247 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.779 7.148 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -11.141 7.299 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.830 8.652 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.603 6.795 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -13.070 6.021 6.261 1.00 0.00 H new ATOM 544 N ILE A 820 -8.846 7.895 4.796 1.00 0.00 N ATOM 545 CA ILE A 820 -7.643 8.697 4.608 1.00 0.00 C ATOM 546 C ILE A 820 -7.087 8.530 3.198 1.00 0.00 C ATOM 547 O ILE A 820 -6.614 9.491 2.589 1.00 0.00 O ATOM 548 CB ILE A 820 -6.551 8.322 5.626 1.00 0.00 C ATOM 549 CG1 ILE A 820 -7.030 8.612 7.050 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.266 9.080 5.329 1.00 0.00 C ATOM 551 CD1 ILE A 820 -6.031 8.217 8.116 1.00 0.00 C ATOM 0 H ILE A 820 -8.818 7.276 5.606 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.930 9.737 4.763 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.347 7.255 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -7.246 9.676 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.965 8.081 7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.504 8.804 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.918 8.828 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.454 10.152 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.437 8.451 9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.833 7.147 8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -5.102 8.768 7.966 1.00 0.00 H new ATOM 563 N CYS A 821 -7.148 7.307 2.685 1.00 0.00 N ATOM 564 CA CYS A 821 -6.651 7.014 1.345 1.00 0.00 C ATOM 565 C CYS A 821 -7.545 7.645 0.283 1.00 0.00 C ATOM 566 O CYS A 821 -7.069 8.086 -0.763 1.00 0.00 O ATOM 567 CB CYS A 821 -6.569 5.502 1.128 1.00 0.00 C ATOM 568 SG CYS A 821 -5.429 4.656 2.247 1.00 0.00 S ATOM 0 H CYS A 821 -7.537 6.502 3.176 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.652 7.441 1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.564 5.074 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.262 5.310 0.100 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.899 4.697 3.458 1.00 0.00 H new ATOM 574 N LYS A 822 -8.845 7.683 0.558 1.00 0.00 N ATOM 575 CA LYS A 822 -9.808 8.259 -0.373 1.00 0.00 C ATOM 576 C LYS A 822 -9.539 9.746 -0.583 1.00 0.00 C ATOM 577 O LYS A 822 -9.927 10.318 -1.601 1.00 0.00 O ATOM 578 CB LYS A 822 -11.233 8.056 0.145 1.00 0.00 C ATOM 579 CG LYS A 822 -11.634 6.596 0.268 1.00 0.00 C ATOM 580 CD LYS A 822 -13.060 6.449 0.769 1.00 0.00 C ATOM 581 CE LYS A 822 -14.060 6.485 -0.376 1.00 0.00 C ATOM 582 NZ LYS A 822 -15.466 6.458 0.114 1.00 0.00 N ATOM 0 H LYS A 822 -9.256 7.321 1.419 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.700 7.749 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.327 8.533 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.929 8.560 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.536 6.108 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -10.953 6.087 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.161 5.509 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.283 7.250 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.900 7.385 -0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.889 5.634 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -16.117 6.484 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.627 5.587 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.638 7.284 0.722 1.00 0.00 H new ATOM 596 N ALA A 823 -8.872 10.364 0.386 1.00 0.00 N ATOM 597 CA ALA A 823 -8.549 11.783 0.305 1.00 0.00 C ATOM 598 C ALA A 823 -7.674 12.078 -0.909 1.00 0.00 C ATOM 599 O ALA A 823 -7.932 13.021 -1.658 1.00 0.00 O ATOM 600 CB ALA A 823 -7.857 12.241 1.581 1.00 0.00 C ATOM 0 H ALA A 823 -8.545 9.904 1.236 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.481 12.337 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.622 13.303 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.517 12.075 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -6.936 11.674 1.719 1.00 0.00 H new ATOM 606 N HIS A 824 -6.638 11.268 -1.096 1.00 0.00 N ATOM 607 CA HIS A 824 -5.724 11.442 -2.220 1.00 0.00 C ATOM 608 C HIS A 824 -6.432 11.169 -3.544 1.00 0.00 C ATOM 609 O HIS A 824 -6.538 12.050 -4.396 1.00 0.00 O ATOM 610 CB HIS A 824 -4.517 10.515 -2.072 1.00 0.00 C ATOM 611 CG HIS A 824 -3.774 10.699 -0.785 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.499 9.826 0.211 1.00 0.00 N flip ATOM 613 CD2 HIS A 824 -3.216 11.901 -0.404 1.00 0.00 C flip ATOM 614 CE1 HIS A 824 -2.787 10.508 1.167 1.00 0.00 C flip ATOM 615 NE2 HIS A 824 -2.629 11.759 0.771 1.00 0.00 N flip ATOM 0 H HIS A 824 -6.410 10.484 -0.484 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.380 12.476 -2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.853 9.481 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.834 10.686 -2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -3.253 12.816 -0.977 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.417 10.090 2.092 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.138 12.490 1.285 1.00 0.00 H new ATOM 623 N GLY A 825 -6.914 9.941 -3.709 1.00 0.00 N ATOM 624 CA GLY A 825 -7.604 9.574 -4.931 1.00 0.00 C ATOM 625 C GLY A 825 -8.747 8.609 -4.684 1.00 0.00 C ATOM 626 O GLY A 825 -9.429 8.691 -3.662 1.00 0.00 O ATOM 0 H GLY A 825 -6.839 9.194 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.989 10.473 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.894 9.122 -5.624 1.00 0.00 H new ATOM 630 N THR A 826 -8.961 7.693 -5.624 1.00 0.00 N ATOM 631 CA THR A 826 -10.031 6.711 -5.505 1.00 0.00 C ATOM 632 C THR A 826 -9.494 5.369 -5.021 1.00 0.00 C ATOM 633 O THR A 826 -8.611 4.781 -5.645 1.00 0.00 O ATOM 634 CB THR A 826 -10.758 6.507 -6.848 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.328 7.744 -7.289 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.850 5.457 -6.717 1.00 0.00 C ATOM 0 H THR A 826 -8.407 7.611 -6.476 1.00 0.00 H new ATOM 0 HA THR A 826 -10.738 7.101 -4.773 1.00 0.00 H new ATOM 0 HB THR A 826 -10.030 6.161 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.787 7.606 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.350 5.330 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.408 4.509 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.576 5.778 -5.970 1.00 0.00 H new ATOM 644 N VAL A 827 -10.035 4.888 -3.906 1.00 0.00 N ATOM 645 CA VAL A 827 -9.611 3.613 -3.339 1.00 0.00 C ATOM 646 C VAL A 827 -10.476 2.469 -3.854 1.00 0.00 C ATOM 647 O VAL A 827 -11.652 2.359 -3.506 1.00 0.00 O ATOM 648 CB VAL A 827 -9.671 3.636 -1.800 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.368 2.257 -1.234 1.00 0.00 C ATOM 650 CG2 VAL A 827 -8.707 4.673 -1.245 1.00 0.00 C ATOM 0 H VAL A 827 -10.768 5.362 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.579 3.454 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.681 3.913 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.415 2.292 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.102 1.542 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.370 1.948 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -8.763 4.676 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -7.691 4.429 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -8.975 5.659 -1.624 1.00 0.00 H new ATOM 660 N LYS A 828 -9.887 1.616 -4.685 1.00 0.00 N ATOM 661 CA LYS A 828 -10.602 0.477 -5.248 1.00 0.00 C ATOM 662 C LYS A 828 -10.816 -0.605 -4.195 1.00 0.00 C ATOM 663 O LYS A 828 -11.934 -1.086 -4.004 1.00 0.00 O ATOM 664 CB LYS A 828 -9.829 -0.099 -6.437 1.00 0.00 C ATOM 665 CG LYS A 828 -9.867 0.784 -7.672 1.00 0.00 C ATOM 666 CD LYS A 828 -11.220 0.724 -8.360 1.00 0.00 C ATOM 667 CE LYS A 828 -11.288 -0.421 -9.359 1.00 0.00 C ATOM 668 NZ LYS A 828 -10.511 -0.125 -10.595 1.00 0.00 N ATOM 0 H LYS A 828 -8.915 1.692 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.577 0.824 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.791 -0.255 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.240 -1.077 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.646 1.814 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -9.090 0.470 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -12.004 0.603 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.411 1.667 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -10.903 -1.330 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -12.328 -0.613 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -10.755 -0.816 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -10.741 0.833 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -9.494 -0.184 -10.388 1.00 0.00 H new ATOM 682 N ASP A 829 -9.740 -0.982 -3.513 1.00 0.00 N ATOM 683 CA ASP A 829 -9.812 -2.006 -2.477 1.00 0.00 C ATOM 684 C ASP A 829 -8.757 -1.765 -1.401 1.00 0.00 C ATOM 685 O ASP A 829 -7.778 -1.052 -1.626 1.00 0.00 O ATOM 686 CB ASP A 829 -9.625 -3.395 -3.089 1.00 0.00 C ATOM 687 CG ASP A 829 -10.295 -4.483 -2.272 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.472 -4.302 -1.895 1.00 0.00 O ATOM 689 OD2 ASP A 829 -9.642 -5.514 -2.009 1.00 0.00 O ATOM 0 H ASP A 829 -8.808 -0.594 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.797 -1.951 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -10.032 -3.401 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.560 -3.611 -3.173 1.00 0.00 H new ATOM 694 N LEU A 830 -8.964 -2.362 -0.233 1.00 0.00 N ATOM 695 CA LEU A 830 -8.032 -2.211 0.879 1.00 0.00 C ATOM 696 C LEU A 830 -7.963 -3.489 1.708 1.00 0.00 C ATOM 697 O LEU A 830 -8.990 -4.050 2.091 1.00 0.00 O ATOM 698 CB LEU A 830 -8.451 -1.037 1.766 1.00 0.00 C ATOM 699 CG LEU A 830 -7.329 -0.355 2.550 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.777 1.013 3.041 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.889 -1.225 3.717 1.00 0.00 C ATOM 0 H LEU A 830 -9.769 -2.955 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.043 -2.012 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.936 -0.289 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.199 -1.392 2.475 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.477 -0.218 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.966 1.484 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.042 1.637 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.645 0.900 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.090 -0.724 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.734 -1.394 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.527 -2.182 3.341 1.00 0.00 H new ATOM 713 N ARG A 831 -6.745 -3.944 1.984 1.00 0.00 N ATOM 714 CA ARG A 831 -6.541 -5.156 2.769 1.00 0.00 C ATOM 715 C ARG A 831 -5.523 -4.919 3.881 1.00 0.00 C ATOM 716 O ARG A 831 -4.623 -4.088 3.746 1.00 0.00 O ATOM 717 CB ARG A 831 -6.072 -6.300 1.868 1.00 0.00 C ATOM 718 CG ARG A 831 -5.876 -7.614 2.606 1.00 0.00 C ATOM 719 CD ARG A 831 -5.759 -8.783 1.640 1.00 0.00 C ATOM 720 NE ARG A 831 -4.519 -8.734 0.869 1.00 0.00 N ATOM 721 CZ ARG A 831 -4.290 -9.483 -0.204 1.00 0.00 C ATOM 722 NH1 ARG A 831 -5.213 -10.333 -0.631 1.00 0.00 N ATOM 723 NH2 ARG A 831 -3.137 -9.381 -0.851 1.00 0.00 N ATOM 0 H ARG A 831 -5.884 -3.492 1.676 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.493 -5.428 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.801 -6.446 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.133 -6.016 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.978 -7.557 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -6.714 -7.782 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -5.803 -9.719 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -6.610 -8.777 0.959 1.00 0.00 H new ATOM 0 HE ARG A 831 -3.789 -8.089 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -6.101 -10.413 -0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -5.035 -10.907 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -2.425 -8.727 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -2.962 -9.956 -1.675 1.00 0.00 H new ATOM 737 N LEU A 832 -5.670 -5.653 4.977 1.00 0.00 N ATOM 738 CA LEU A 832 -4.764 -5.523 6.113 1.00 0.00 C ATOM 739 C LEU A 832 -4.050 -6.842 6.394 1.00 0.00 C ATOM 740 O LEU A 832 -4.682 -7.895 6.484 1.00 0.00 O ATOM 741 CB LEU A 832 -5.533 -5.072 7.356 1.00 0.00 C ATOM 742 CG LEU A 832 -6.434 -3.849 7.180 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.407 -3.732 8.342 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.598 -2.584 7.052 1.00 0.00 C ATOM 0 H LEU A 832 -6.408 -6.345 5.104 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.015 -4.771 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.147 -5.904 7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.813 -4.858 8.146 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.009 -3.974 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.040 -2.856 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.029 -4.626 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.851 -3.630 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.256 -1.724 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.996 -2.453 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.942 -2.667 6.185 1.00 0.00 H new ATOM 756 N VAL A 833 -2.730 -6.777 6.533 1.00 0.00 N ATOM 757 CA VAL A 833 -1.930 -7.965 6.807 1.00 0.00 C ATOM 758 C VAL A 833 -2.159 -8.465 8.229 1.00 0.00 C ATOM 759 O VAL A 833 -1.860 -7.769 9.200 1.00 0.00 O ATOM 760 CB VAL A 833 -0.428 -7.689 6.608 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.390 -8.932 6.921 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.159 -7.206 5.190 1.00 0.00 C ATOM 0 H VAL A 833 -2.191 -5.914 6.460 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.248 -8.731 6.099 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.126 -6.902 7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.449 -8.717 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.220 -9.229 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 833 0.089 -9.742 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.907 -7.016 5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.476 -7.969 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.715 -6.287 5.007 1.00 0.00 H new ATOM 772 N THR A 834 -2.692 -9.678 8.345 1.00 0.00 N ATOM 773 CA THR A 834 -2.962 -10.272 9.648 1.00 0.00 C ATOM 774 C THR A 834 -2.208 -11.586 9.820 1.00 0.00 C ATOM 775 O THR A 834 -1.481 -12.017 8.926 1.00 0.00 O ATOM 776 CB THR A 834 -4.468 -10.528 9.848 1.00 0.00 C ATOM 777 OG1 THR A 834 -4.909 -11.567 8.967 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.270 -9.262 9.590 1.00 0.00 C ATOM 0 H THR A 834 -2.945 -10.268 7.552 1.00 0.00 H new ATOM 0 HA THR A 834 -2.620 -9.558 10.397 1.00 0.00 H new ATOM 0 HB THR A 834 -4.629 -10.836 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 834 -5.867 -11.725 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.330 -9.467 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.952 -8.482 10.282 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.104 -8.928 8.566 1.00 0.00 H new ATOM 786 N ASN A 835 -2.386 -12.218 10.976 1.00 0.00 N ATOM 787 CA ASN A 835 -1.722 -13.484 11.264 1.00 0.00 C ATOM 788 C ASN A 835 -2.741 -14.607 11.435 1.00 0.00 C ATOM 789 O ASN A 835 -3.949 -14.381 11.349 1.00 0.00 O ATOM 790 CB ASN A 835 -0.868 -13.360 12.528 1.00 0.00 C ATOM 791 CG ASN A 835 -1.707 -13.328 13.791 1.00 0.00 C ATOM 792 OD1 ASN A 835 -1.779 -14.313 14.526 1.00 0.00 O ATOM 793 ND2 ASN A 835 -2.345 -12.192 14.049 1.00 0.00 N ATOM 0 H ASN A 835 -2.984 -11.874 11.728 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.077 -13.727 10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.173 -14.198 12.578 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.268 -12.452 12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.924 -12.111 14.885 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -2.256 -11.401 13.411 1.00 0.00 H new ATOM 800 N ARG A 836 -2.246 -15.816 11.677 1.00 0.00 N ATOM 801 CA ARG A 836 -3.113 -16.974 11.859 1.00 0.00 C ATOM 802 C ARG A 836 -4.235 -16.664 12.846 1.00 0.00 C ATOM 803 O ARG A 836 -5.275 -17.321 12.845 1.00 0.00 O ATOM 804 CB ARG A 836 -2.302 -18.173 12.353 1.00 0.00 C ATOM 805 CG ARG A 836 -2.964 -19.513 12.076 1.00 0.00 C ATOM 806 CD ARG A 836 -1.952 -20.647 12.084 1.00 0.00 C ATOM 807 NE ARG A 836 -0.950 -20.493 11.032 1.00 0.00 N ATOM 808 CZ ARG A 836 -1.134 -20.889 9.778 1.00 0.00 C ATOM 809 NH1 ARG A 836 -2.277 -21.459 9.420 1.00 0.00 N ATOM 810 NH2 ARG A 836 -0.175 -20.714 8.878 1.00 0.00 N ATOM 0 H ARG A 836 -1.249 -16.019 11.752 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.558 -17.218 10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -1.321 -18.157 11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -2.139 -18.073 13.426 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.731 -19.703 12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -3.466 -19.479 11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -1.456 -20.684 13.054 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -2.471 -21.597 11.955 1.00 0.00 H new ATOM 0 HE ARG A 836 -0.060 -20.057 11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -3.017 -21.594 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -2.416 -21.762 8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 836 0.705 -20.275 9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -0.318 -21.019 7.915 1.00 0.00 H new ATOM 824 N ALA A 837 -4.015 -15.659 13.687 1.00 0.00 N ATOM 825 CA ALA A 837 -5.007 -15.260 14.678 1.00 0.00 C ATOM 826 C ALA A 837 -5.950 -14.203 14.116 1.00 0.00 C ATOM 827 O ALA A 837 -7.165 -14.284 14.292 1.00 0.00 O ATOM 828 CB ALA A 837 -4.320 -14.744 15.934 1.00 0.00 C ATOM 0 H ALA A 837 -3.158 -15.106 13.702 1.00 0.00 H new ATOM 0 HA ALA A 837 -5.600 -16.137 14.936 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -5.073 -14.450 16.665 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -3.693 -15.530 16.355 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.702 -13.882 15.683 1.00 0.00 H new ATOM 834 N GLY A 838 -5.382 -13.209 13.440 1.00 0.00 N ATOM 835 CA GLY A 838 -6.188 -12.148 12.863 1.00 0.00 C ATOM 836 C GLY A 838 -5.711 -10.769 13.274 1.00 0.00 C ATOM 837 O GLY A 838 -6.064 -9.770 12.647 1.00 0.00 O ATOM 0 H GLY A 838 -4.378 -13.119 13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.165 -12.228 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.226 -12.277 13.170 1.00 0.00 H new ATOM 841 N LYS A 839 -4.908 -10.713 14.331 1.00 0.00 N ATOM 842 CA LYS A 839 -4.382 -9.447 14.826 1.00 0.00 C ATOM 843 C LYS A 839 -3.557 -8.743 13.753 1.00 0.00 C ATOM 844 O LYS A 839 -2.844 -9.373 12.972 1.00 0.00 O ATOM 845 CB LYS A 839 -3.524 -9.679 16.072 1.00 0.00 C ATOM 846 CG LYS A 839 -4.312 -10.194 17.265 1.00 0.00 C ATOM 847 CD LYS A 839 -4.905 -9.054 18.075 1.00 0.00 C ATOM 848 CE LYS A 839 -5.384 -9.529 19.438 1.00 0.00 C ATOM 849 NZ LYS A 839 -6.466 -10.545 19.323 1.00 0.00 N ATOM 0 H LYS A 839 -4.607 -11.531 14.862 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.227 -8.810 15.087 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.735 -10.392 15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.035 -8.744 16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.111 -10.850 16.919 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.661 -10.793 17.901 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.158 -8.271 18.203 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.739 -8.613 17.528 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -4.545 -9.953 19.990 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -5.746 -8.677 20.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -6.812 -10.793 20.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -7.249 -10.156 18.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -6.094 -11.397 18.856 1.00 0.00 H new ATOM 863 N PRO A 840 -3.654 -7.406 13.712 1.00 0.00 N ATOM 864 CA PRO A 840 -2.923 -6.588 12.740 1.00 0.00 C ATOM 865 C PRO A 840 -1.422 -6.569 13.012 1.00 0.00 C ATOM 866 O PRO A 840 -0.977 -6.104 14.061 1.00 0.00 O ATOM 867 CB PRO A 840 -3.519 -5.192 12.931 1.00 0.00 C ATOM 868 CG PRO A 840 -4.027 -5.185 14.332 1.00 0.00 C ATOM 869 CD PRO A 840 -4.486 -6.589 14.612 1.00 0.00 C ATOM 0 HA PRO A 840 -3.023 -6.973 11.725 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.768 -4.417 12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.322 -5.003 12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.245 -4.883 15.029 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.847 -4.476 14.446 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.334 -6.861 15.657 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.548 -6.714 14.401 1.00 0.00 H new ATOM 877 N LYS A 841 -0.647 -7.076 12.059 1.00 0.00 N ATOM 878 CA LYS A 841 0.804 -7.116 12.194 1.00 0.00 C ATOM 879 C LYS A 841 1.413 -5.741 11.935 1.00 0.00 C ATOM 880 O LYS A 841 2.602 -5.524 12.165 1.00 0.00 O ATOM 881 CB LYS A 841 1.400 -8.139 11.225 1.00 0.00 C ATOM 882 CG LYS A 841 0.885 -9.552 11.440 1.00 0.00 C ATOM 883 CD LYS A 841 1.918 -10.590 11.034 1.00 0.00 C ATOM 884 CE LYS A 841 2.103 -10.632 9.525 1.00 0.00 C ATOM 885 NZ LYS A 841 3.118 -9.645 9.063 1.00 0.00 N ATOM 0 H LYS A 841 -1.000 -7.465 11.185 1.00 0.00 H new ATOM 0 HA LYS A 841 1.040 -7.413 13.216 1.00 0.00 H new ATOM 0 HB2 LYS A 841 1.178 -7.832 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.485 -8.137 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 841 0.623 -9.689 12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.027 -9.700 10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.871 -10.363 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 841 1.608 -11.572 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.408 -11.634 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.150 -10.429 9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.538 -9.971 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.662 -8.722 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.864 -9.552 9.782 1.00 0.00 H new ATOM 899 N GLY A 842 0.588 -4.814 11.456 1.00 0.00 N ATOM 900 CA GLY A 842 1.063 -3.472 11.176 1.00 0.00 C ATOM 901 C GLY A 842 1.133 -3.181 9.690 1.00 0.00 C ATOM 902 O GLY A 842 0.971 -2.036 9.266 1.00 0.00 O ATOM 0 H GLY A 842 -0.400 -4.969 11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.402 -2.749 11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.052 -3.340 11.616 1.00 0.00 H new ATOM 906 N LEU A 843 1.378 -4.218 8.896 1.00 0.00 N ATOM 907 CA LEU A 843 1.471 -4.068 7.448 1.00 0.00 C ATOM 908 C LEU A 843 0.084 -4.026 6.815 1.00 0.00 C ATOM 909 O LEU A 843 -0.853 -4.652 7.308 1.00 0.00 O ATOM 910 CB LEU A 843 2.284 -5.216 6.848 1.00 0.00 C ATOM 911 CG LEU A 843 3.623 -5.516 7.524 1.00 0.00 C ATOM 912 CD1 LEU A 843 4.226 -6.797 6.969 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.584 -4.350 7.342 1.00 0.00 C ATOM 0 H LEU A 843 1.516 -5.172 9.231 1.00 0.00 H new ATOM 0 HA LEU A 843 1.975 -3.125 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.675 -6.120 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.472 -4.991 5.798 1.00 0.00 H new ATOM 0 HG LEU A 843 3.447 -5.654 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 843 5.178 -6.994 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.545 -7.628 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.388 -6.688 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.532 -4.580 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.754 -4.181 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.156 -3.452 7.788 1.00 0.00 H new ATOM 925 N ALA A 844 -0.037 -3.285 5.718 1.00 0.00 N ATOM 926 CA ALA A 844 -1.308 -3.165 5.014 1.00 0.00 C ATOM 927 C ALA A 844 -1.091 -2.825 3.543 1.00 0.00 C ATOM 928 O ALA A 844 -0.092 -2.204 3.181 1.00 0.00 O ATOM 929 CB ALA A 844 -2.181 -2.111 5.678 1.00 0.00 C ATOM 0 H ALA A 844 0.729 -2.759 5.298 1.00 0.00 H new ATOM 0 HA ALA A 844 -1.816 -4.128 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.127 -2.032 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.373 -2.396 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.670 -1.149 5.656 1.00 0.00 H new ATOM 935 N TYR A 845 -2.032 -3.238 2.701 1.00 0.00 N ATOM 936 CA TYR A 845 -1.942 -2.979 1.269 1.00 0.00 C ATOM 937 C TYR A 845 -3.101 -2.105 0.799 1.00 0.00 C ATOM 938 O TYR A 845 -4.205 -2.174 1.340 1.00 0.00 O ATOM 939 CB TYR A 845 -1.934 -4.297 0.492 1.00 0.00 C ATOM 940 CG TYR A 845 -0.573 -4.953 0.426 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.124 -5.771 1.455 1.00 0.00 C ATOM 942 CD2 TYR A 845 0.262 -4.755 -0.667 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.118 -6.372 1.399 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.506 -5.353 -0.731 1.00 0.00 C ATOM 945 CZ TYR A 845 1.930 -6.160 0.304 1.00 0.00 C ATOM 946 OH TYR A 845 3.168 -6.758 0.244 1.00 0.00 O ATOM 0 H TYR A 845 -2.865 -3.753 2.985 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.010 -2.447 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.638 -4.987 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.289 -4.113 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.757 -5.940 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.067 -4.124 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.452 -7.005 2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 845 2.143 -5.189 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 845 3.612 -6.507 -0.593 1.00 0.00 H new ATOM 956 N VAL A 846 -2.841 -1.284 -0.213 1.00 0.00 N ATOM 957 CA VAL A 846 -3.861 -0.396 -0.759 1.00 0.00 C ATOM 958 C VAL A 846 -3.972 -0.551 -2.271 1.00 0.00 C ATOM 959 O VAL A 846 -2.974 -0.774 -2.956 1.00 0.00 O ATOM 960 CB VAL A 846 -3.561 1.077 -0.424 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.710 1.970 -0.868 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.292 1.241 1.064 1.00 0.00 C ATOM 0 H VAL A 846 -1.933 -1.215 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.807 -0.679 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.666 1.380 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.480 3.007 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.850 1.874 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.623 1.670 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.082 2.288 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.167 0.921 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.434 0.632 1.348 1.00 0.00 H new ATOM 972 N GLU A 847 -5.192 -0.429 -2.786 1.00 0.00 N ATOM 973 CA GLU A 847 -5.432 -0.556 -4.218 1.00 0.00 C ATOM 974 C GLU A 847 -6.195 0.653 -4.751 1.00 0.00 C ATOM 975 O GLU A 847 -7.371 0.845 -4.439 1.00 0.00 O ATOM 976 CB GLU A 847 -6.213 -1.837 -4.516 1.00 0.00 C ATOM 977 CG GLU A 847 -5.911 -2.430 -5.882 1.00 0.00 C ATOM 978 CD GLU A 847 -6.823 -1.890 -6.967 1.00 0.00 C ATOM 979 OE1 GLU A 847 -8.034 -2.192 -6.928 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.325 -1.165 -7.854 1.00 0.00 O ATOM 0 H GLU A 847 -6.028 -0.243 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.465 -0.604 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.986 -2.578 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.280 -1.626 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -4.875 -2.218 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -6.012 -3.514 -5.834 1.00 0.00 H new ATOM 987 N TYR A 848 -5.519 1.466 -5.555 1.00 0.00 N ATOM 988 CA TYR A 848 -6.132 2.658 -6.129 1.00 0.00 C ATOM 989 C TYR A 848 -6.653 2.379 -7.535 1.00 0.00 C ATOM 990 O TYR A 848 -6.450 1.295 -8.080 1.00 0.00 O ATOM 991 CB TYR A 848 -5.124 3.808 -6.165 1.00 0.00 C ATOM 992 CG TYR A 848 -5.099 4.631 -4.897 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.405 4.194 -3.776 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.769 5.845 -4.820 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.379 4.942 -2.615 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.748 6.601 -3.664 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.052 6.145 -2.564 1.00 0.00 C ATOM 998 OH TYR A 848 -5.030 6.894 -1.410 1.00 0.00 O ATOM 0 H TYR A 848 -4.546 1.321 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.975 2.942 -5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.128 3.402 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.359 4.460 -7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.876 3.253 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.316 6.204 -5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.835 4.587 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.273 7.544 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.716 7.592 -1.460 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.326 3.368 -8.117 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.877 3.229 -9.460 1.00 0.00 C ATOM 1010 C GLU A 849 -6.866 3.678 -10.511 1.00 0.00 C ATOM 1011 O GLU A 849 -6.732 3.055 -11.564 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.164 4.046 -9.593 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.741 4.046 -10.999 1.00 0.00 C ATOM 1014 CD GLU A 849 -10.693 5.202 -11.238 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -10.453 6.294 -10.682 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.678 5.014 -11.983 1.00 0.00 O ATOM 0 H GLU A 849 -7.502 4.273 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.104 2.176 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.909 3.650 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.965 5.074 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -8.927 4.095 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -10.265 3.106 -11.173 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.157 4.763 -10.218 1.00 0.00 N ATOM 1024 CA ASN A 850 -5.159 5.296 -11.138 1.00 0.00 C ATOM 1025 C ASN A 850 -3.763 5.229 -10.525 1.00 0.00 C ATOM 1026 O ASN A 850 -3.609 4.928 -9.342 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.497 6.742 -11.507 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.588 6.831 -12.557 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.314 6.807 -13.757 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.833 6.933 -12.108 1.00 0.00 N ATOM 0 H ASN A 850 -6.255 5.291 -9.351 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.170 4.685 -12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.813 7.278 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.600 7.239 -11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.609 6.995 -12.767 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -8.013 6.949 -11.104 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.751 5.512 -11.339 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.369 5.483 -10.876 1.00 0.00 C ATOM 1039 C GLU A 851 -1.017 6.768 -10.132 1.00 0.00 C ATOM 1040 O GLU A 851 -0.536 6.730 -9.000 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.416 5.289 -12.058 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.774 4.104 -12.940 1.00 0.00 C ATOM 1043 CD GLU A 851 -1.048 2.844 -12.141 1.00 0.00 C ATOM 1044 OE1 GLU A 851 -0.162 2.428 -11.366 1.00 0.00 O ATOM 1045 OE2 GLU A 851 -2.150 2.275 -12.292 1.00 0.00 O ATOM 0 H GLU A 851 -2.862 5.764 -12.321 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.261 4.644 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.413 6.195 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.597 5.156 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -1.653 4.351 -13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.041 3.917 -13.639 1.00 0.00 H new ATOM 1052 N SER A 852 -1.261 7.904 -10.777 1.00 0.00 N ATOM 1053 CA SER A 852 -0.967 9.201 -10.178 1.00 0.00 C ATOM 1054 C SER A 852 -1.476 9.265 -8.741 1.00 0.00 C ATOM 1055 O SER A 852 -0.787 9.757 -7.849 1.00 0.00 O ATOM 1056 CB SER A 852 -1.598 10.323 -11.005 1.00 0.00 C ATOM 1057 OG SER A 852 -1.543 11.559 -10.314 1.00 0.00 O ATOM 0 H SER A 852 -1.661 7.953 -11.714 1.00 0.00 H new ATOM 0 HA SER A 852 0.115 9.331 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.078 10.413 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.635 10.074 -11.230 1.00 0.00 H new ATOM 0 HG SER A 852 -1.951 12.260 -10.864 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.688 8.763 -8.527 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.291 8.763 -7.200 1.00 0.00 C ATOM 1065 C GLN A 853 -2.427 7.989 -6.209 1.00 0.00 C ATOM 1066 O GLN A 853 -2.007 8.526 -5.185 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.694 8.157 -7.253 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.715 9.044 -7.947 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.993 8.306 -8.291 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.162 7.137 -7.941 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.902 8.985 -8.980 1.00 0.00 N ATOM 0 H GLN A 853 -3.271 8.351 -9.256 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.363 9.797 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.647 7.198 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -5.032 7.955 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.952 9.891 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.278 9.449 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.720 9.952 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.782 8.540 -9.240 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.166 6.724 -6.523 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.351 5.877 -5.661 1.00 0.00 C ATOM 1082 C ALA A 854 -0.042 6.567 -5.292 1.00 0.00 C ATOM 1083 O ALA A 854 0.272 6.735 -4.114 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.074 4.544 -6.341 1.00 0.00 C ATOM 0 H ALA A 854 -2.507 6.264 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.907 5.695 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.464 3.921 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.017 4.038 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.542 4.716 -7.276 1.00 0.00 H new ATOM 1090 N SER A 855 0.719 6.964 -6.307 1.00 0.00 N ATOM 1091 CA SER A 855 1.997 7.632 -6.089 1.00 0.00 C ATOM 1092 C SER A 855 1.845 8.787 -5.104 1.00 0.00 C ATOM 1093 O SER A 855 2.455 8.789 -4.035 1.00 0.00 O ATOM 1094 CB SER A 855 2.560 8.148 -7.415 1.00 0.00 C ATOM 1095 OG SER A 855 3.955 8.379 -7.321 1.00 0.00 O ATOM 0 H SER A 855 0.473 6.835 -7.288 1.00 0.00 H new ATOM 0 HA SER A 855 2.691 6.906 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.360 7.424 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 855 2.053 9.072 -7.694 1.00 0.00 H new ATOM 0 HG SER A 855 4.291 8.706 -8.181 1.00 0.00 H new ATOM 1101 N GLN A 856 1.026 9.767 -5.473 1.00 0.00 N ATOM 1102 CA GLN A 856 0.794 10.929 -4.623 1.00 0.00 C ATOM 1103 C GLN A 856 0.631 10.512 -3.165 1.00 0.00 C ATOM 1104 O GLN A 856 1.325 11.018 -2.283 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.447 11.690 -5.090 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.474 13.143 -4.645 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.300 14.020 -5.565 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -2.525 13.908 -5.615 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -0.632 14.901 -6.301 1.00 0.00 N ATOM 0 H GLN A 856 0.512 9.779 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 856 1.662 11.583 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.499 11.651 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.336 11.186 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -0.878 13.202 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.546 13.525 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.384 14.960 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -1.135 15.518 -6.939 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.292 9.588 -2.918 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.545 9.102 -1.568 1.00 0.00 C ATOM 1120 C ALA A 857 0.722 8.527 -0.944 1.00 0.00 C ATOM 1121 O ALA A 857 0.935 8.633 0.264 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.650 8.056 -1.582 1.00 0.00 C ATOM 0 H ALA A 857 -0.877 9.161 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 857 -0.867 9.947 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.828 7.702 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.564 8.498 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.350 7.218 -2.211 1.00 0.00 H new ATOM 1128 N VAL A 858 1.561 7.917 -1.776 1.00 0.00 N ATOM 1129 CA VAL A 858 2.808 7.325 -1.306 1.00 0.00 C ATOM 1130 C VAL A 858 3.782 8.399 -0.834 1.00 0.00 C ATOM 1131 O VAL A 858 4.462 8.233 0.178 1.00 0.00 O ATOM 1132 CB VAL A 858 3.481 6.485 -2.407 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.806 5.922 -1.916 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.555 5.368 -2.865 1.00 0.00 C ATOM 0 H VAL A 858 1.400 7.820 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 858 2.554 6.675 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 858 3.683 7.132 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.266 5.331 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.470 6.742 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.632 5.289 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.046 4.784 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.320 4.721 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.635 5.798 -3.260 1.00 0.00 H new ATOM 1144 N MET A 859 3.844 9.500 -1.575 1.00 0.00 N ATOM 1145 CA MET A 859 4.735 10.603 -1.232 1.00 0.00 C ATOM 1146 C MET A 859 4.264 11.307 0.037 1.00 0.00 C ATOM 1147 O MET A 859 5.074 11.795 0.826 1.00 0.00 O ATOM 1148 CB MET A 859 4.811 11.604 -2.386 1.00 0.00 C ATOM 1149 CG MET A 859 5.868 11.257 -3.423 1.00 0.00 C ATOM 1150 SD MET A 859 7.539 11.286 -2.747 1.00 0.00 S ATOM 1151 CE MET A 859 8.389 10.212 -3.901 1.00 0.00 C ATOM 0 H MET A 859 3.288 9.653 -2.417 1.00 0.00 H new ATOM 0 HA MET A 859 5.728 10.192 -1.052 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.838 11.657 -2.875 1.00 0.00 H new ATOM 0 HB3 MET A 859 5.020 12.595 -1.983 1.00 0.00 H new ATOM 0 HG2 MET A 859 5.662 10.267 -3.829 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.803 11.962 -4.252 1.00 0.00 H new ATOM 0 HE1 MET A 859 9.438 10.129 -3.616 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.929 9.224 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 859 8.318 10.629 -4.906 1.00 0.00 H new ATOM 1161 N LYS A 860 2.950 11.356 0.228 1.00 0.00 N ATOM 1162 CA LYS A 860 2.371 11.999 1.401 1.00 0.00 C ATOM 1163 C LYS A 860 2.466 11.091 2.623 1.00 0.00 C ATOM 1164 O LYS A 860 3.060 11.458 3.636 1.00 0.00 O ATOM 1165 CB LYS A 860 0.909 12.366 1.138 1.00 0.00 C ATOM 1166 CG LYS A 860 0.736 13.658 0.359 1.00 0.00 C ATOM 1167 CD LYS A 860 0.743 14.868 1.277 1.00 0.00 C ATOM 1168 CE LYS A 860 2.154 15.224 1.720 1.00 0.00 C ATOM 1169 NZ LYS A 860 2.297 16.680 2.001 1.00 0.00 N ATOM 0 H LYS A 860 2.266 10.958 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 860 2.937 12.909 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.433 11.554 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.388 12.454 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.537 13.752 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.202 13.627 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.297 15.719 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.126 14.665 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 860 2.408 14.655 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 860 2.862 14.933 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 3.272 16.882 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 2.079 17.223 1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.639 16.954 2.759 1.00 0.00 H new ATOM 1183 N MET A 861 1.879 9.903 2.519 1.00 0.00 N ATOM 1184 CA MET A 861 1.900 8.942 3.615 1.00 0.00 C ATOM 1185 C MET A 861 3.333 8.568 3.982 1.00 0.00 C ATOM 1186 O MET A 861 3.685 8.504 5.160 1.00 0.00 O ATOM 1187 CB MET A 861 1.115 7.685 3.234 1.00 0.00 C ATOM 1188 CG MET A 861 -0.373 7.931 3.048 1.00 0.00 C ATOM 1189 SD MET A 861 -1.362 6.447 3.319 1.00 0.00 S ATOM 1190 CE MET A 861 -3.012 7.085 3.042 1.00 0.00 C ATOM 0 H MET A 861 1.383 9.583 1.687 1.00 0.00 H new ATOM 0 HA MET A 861 1.430 9.407 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.526 7.276 2.311 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.256 6.930 4.007 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.697 8.710 3.738 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.552 8.303 2.039 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.700 6.638 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.009 8.168 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.332 6.838 2.030 1.00 0.00 H new ATOM 1200 N ASP A 862 4.155 8.324 2.968 1.00 0.00 N ATOM 1201 CA ASP A 862 5.550 7.958 3.184 1.00 0.00 C ATOM 1202 C ASP A 862 6.119 8.682 4.400 1.00 0.00 C ATOM 1203 O ASP A 862 6.443 9.867 4.334 1.00 0.00 O ATOM 1204 CB ASP A 862 6.383 8.284 1.944 1.00 0.00 C ATOM 1205 CG ASP A 862 7.840 8.541 2.277 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.602 7.560 2.402 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.218 9.723 2.412 1.00 0.00 O ATOM 0 H ASP A 862 3.879 8.373 1.987 1.00 0.00 H new ATOM 0 HA ASP A 862 5.594 6.885 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.315 7.457 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.966 9.161 1.450 1.00 0.00 H new ATOM 1212 N GLY A 863 6.236 7.961 5.511 1.00 0.00 N ATOM 1213 CA GLY A 863 6.765 8.552 6.727 1.00 0.00 C ATOM 1214 C GLY A 863 5.820 9.569 7.336 1.00 0.00 C ATOM 1215 O GLY A 863 6.231 10.674 7.690 1.00 0.00 O ATOM 0 H GLY A 863 5.974 6.978 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.963 7.764 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.719 9.032 6.509 1.00 0.00 H new ATOM 1219 N MET A 864 4.550 9.197 7.456 1.00 0.00 N ATOM 1220 CA MET A 864 3.544 10.086 8.026 1.00 0.00 C ATOM 1221 C MET A 864 3.214 9.685 9.460 1.00 0.00 C ATOM 1222 O MET A 864 3.515 8.570 9.890 1.00 0.00 O ATOM 1223 CB MET A 864 2.274 10.066 7.174 1.00 0.00 C ATOM 1224 CG MET A 864 1.485 8.771 7.288 1.00 0.00 C ATOM 1225 SD MET A 864 -0.172 8.903 6.588 1.00 0.00 S ATOM 1226 CE MET A 864 -0.892 10.148 7.656 1.00 0.00 C ATOM 0 H MET A 864 4.193 8.286 7.166 1.00 0.00 H new ATOM 0 HA MET A 864 3.952 11.097 8.035 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.635 10.898 7.470 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.544 10.226 6.130 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.027 7.974 6.780 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.410 8.487 8.338 1.00 0.00 H new ATOM 0 HE1 MET A 864 -1.907 9.854 7.925 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.291 10.244 8.560 1.00 0.00 H new ATOM 0 HE3 MET A 864 -0.917 11.105 7.134 1.00 0.00 H new ATOM 1236 N THR A 865 2.595 10.600 10.198 1.00 0.00 N ATOM 1237 CA THR A 865 2.226 10.343 11.585 1.00 0.00 C ATOM 1238 C THR A 865 0.755 9.960 11.700 1.00 0.00 C ATOM 1239 O THR A 865 -0.114 10.615 11.123 1.00 0.00 O ATOM 1240 CB THR A 865 2.496 11.570 12.475 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.778 12.127 12.165 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.444 11.192 13.948 1.00 0.00 C ATOM 0 H THR A 865 2.338 11.527 9.858 1.00 0.00 H new ATOM 0 HA THR A 865 2.843 9.512 11.928 1.00 0.00 H new ATOM 0 HB THR A 865 1.721 12.311 12.279 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.942 12.908 12.734 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.638 12.075 14.557 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.457 10.795 14.187 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.200 10.435 14.156 1.00 0.00 H new ATOM 1250 N ILE A 866 0.482 8.896 12.448 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.885 8.427 12.640 1.00 0.00 C ATOM 1252 C ILE A 866 -1.085 7.879 14.049 1.00 0.00 C ATOM 1253 O ILE A 866 -0.589 6.804 14.386 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.254 7.335 11.619 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.164 7.886 10.194 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.650 6.799 11.899 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.092 6.810 9.134 1.00 0.00 C ATOM 0 H ILE A 866 1.190 8.342 12.931 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.538 9.287 12.491 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.544 6.513 11.715 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.032 8.517 10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.283 8.523 10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.897 6.028 11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.682 6.373 12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.373 7.612 11.827 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.030 7.273 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.209 6.193 9.301 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -1.985 6.187 9.187 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.819 8.625 14.868 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.089 8.214 16.241 1.00 0.00 C ATOM 1271 C LYS A 867 -0.792 8.065 17.030 1.00 0.00 C ATOM 1272 O LYS A 867 -0.664 7.171 17.866 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.863 6.894 16.257 1.00 0.00 C ATOM 1274 CG LYS A 867 -3.947 6.811 15.195 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.270 7.356 15.705 1.00 0.00 C ATOM 1276 CE LYS A 867 -5.398 8.848 15.442 1.00 0.00 C ATOM 1277 NZ LYS A 867 -5.975 9.126 14.097 1.00 0.00 N ATOM 0 H LYS A 867 -2.237 9.517 14.605 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.693 8.988 16.713 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.163 6.070 16.115 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -3.317 6.761 17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.637 7.372 14.313 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.075 5.774 14.885 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -6.092 6.829 15.221 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -5.355 7.166 16.775 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.029 9.299 16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -4.417 9.316 15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -6.046 10.154 13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -5.360 8.717 13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -6.922 8.701 14.031 1.00 0.00 H new ATOM 1291 N GLU A 868 0.165 8.946 16.759 1.00 0.00 N ATOM 1292 CA GLU A 868 1.451 8.911 17.445 1.00 0.00 C ATOM 1293 C GLU A 868 2.281 7.716 16.984 1.00 0.00 C ATOM 1294 O GLU A 868 2.837 6.982 17.799 1.00 0.00 O ATOM 1295 CB GLU A 868 1.245 8.849 18.959 1.00 0.00 C ATOM 1296 CG GLU A 868 2.401 9.431 19.756 1.00 0.00 C ATOM 1297 CD GLU A 868 2.464 10.944 19.670 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.458 11.600 20.012 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.520 11.472 19.262 1.00 0.00 O ATOM 0 H GLU A 868 0.074 9.692 16.070 1.00 0.00 H new ATOM 0 HA GLU A 868 1.991 9.824 17.197 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.332 9.386 19.215 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.098 7.810 19.255 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.304 9.134 20.800 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.338 9.010 19.391 1.00 0.00 H new ATOM 1306 N ASN A 869 2.360 7.529 15.670 1.00 0.00 N ATOM 1307 CA ASN A 869 3.121 6.423 15.100 1.00 0.00 C ATOM 1308 C ASN A 869 3.541 6.735 13.667 1.00 0.00 C ATOM 1309 O ASN A 869 2.710 6.770 12.759 1.00 0.00 O ATOM 1310 CB ASN A 869 2.293 5.137 15.133 1.00 0.00 C ATOM 1311 CG ASN A 869 3.149 3.894 14.986 1.00 0.00 C ATOM 1312 OD1 ASN A 869 3.672 3.611 13.908 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.296 3.145 16.072 1.00 0.00 N ATOM 0 H ASN A 869 1.907 8.129 14.981 1.00 0.00 H new ATOM 0 HA ASN A 869 4.020 6.284 15.701 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.743 5.087 16.072 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.554 5.163 14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.861 2.297 16.034 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.844 3.418 16.945 1.00 0.00 H new ATOM 1320 N ILE A 870 4.836 6.958 13.471 1.00 0.00 N ATOM 1321 CA ILE A 870 5.367 7.265 12.149 1.00 0.00 C ATOM 1322 C ILE A 870 5.321 6.040 11.241 1.00 0.00 C ATOM 1323 O ILE A 870 6.152 5.139 11.354 1.00 0.00 O ATOM 1324 CB ILE A 870 6.818 7.776 12.229 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.840 9.251 12.632 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.524 7.574 10.897 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.373 9.498 14.050 1.00 0.00 C ATOM 0 H ILE A 870 5.537 6.932 14.211 1.00 0.00 H new ATOM 0 HA ILE A 870 4.737 8.050 11.730 1.00 0.00 H new ATOM 0 HB ILE A 870 7.349 7.203 12.990 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.854 9.635 12.520 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.208 9.816 11.947 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.548 7.940 10.969 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.534 6.513 10.648 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.996 8.124 10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.415 10.566 14.266 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.348 9.145 14.162 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.019 8.961 14.745 1.00 0.00 H new ATOM 1339 N ILE A 871 4.345 6.016 10.339 1.00 0.00 N ATOM 1340 CA ILE A 871 4.192 4.904 9.410 1.00 0.00 C ATOM 1341 C ILE A 871 4.959 5.159 8.116 1.00 0.00 C ATOM 1342 O ILE A 871 5.033 6.291 7.639 1.00 0.00 O ATOM 1343 CB ILE A 871 2.711 4.650 9.074 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.226 5.649 8.021 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.859 4.742 10.331 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.635 5.287 6.610 1.00 0.00 C ATOM 0 H ILE A 871 3.649 6.754 10.232 1.00 0.00 H new ATOM 0 HA ILE A 871 4.600 4.022 9.904 1.00 0.00 H new ATOM 0 HB ILE A 871 2.614 3.644 8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.139 5.716 8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.618 6.637 8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.815 4.560 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.192 3.996 11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.959 5.736 10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.257 6.039 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.722 5.248 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.221 4.313 6.350 1.00 0.00 H new ATOM 1358 N LYS A 872 5.526 4.098 7.552 1.00 0.00 N ATOM 1359 CA LYS A 872 6.285 4.205 6.312 1.00 0.00 C ATOM 1360 C LYS A 872 5.495 3.632 5.140 1.00 0.00 C ATOM 1361 O LYS A 872 4.775 2.644 5.287 1.00 0.00 O ATOM 1362 CB LYS A 872 7.624 3.475 6.444 1.00 0.00 C ATOM 1363 CG LYS A 872 8.658 3.912 5.421 1.00 0.00 C ATOM 1364 CD LYS A 872 9.713 2.840 5.203 1.00 0.00 C ATOM 1365 CE LYS A 872 9.185 1.705 4.340 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.254 0.728 3.993 1.00 0.00 N ATOM 0 H LYS A 872 5.474 3.154 7.934 1.00 0.00 H new ATOM 0 HA LYS A 872 6.472 5.262 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.022 3.642 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.455 2.403 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.164 4.136 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 872 9.137 4.832 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.589 3.282 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.037 2.446 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 872 8.381 1.192 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 872 8.756 2.114 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 9.854 -0.030 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.010 1.212 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 10.646 0.319 4.865 1.00 0.00 H new ATOM 1380 N VAL A 873 5.635 4.257 3.975 1.00 0.00 N ATOM 1381 CA VAL A 873 4.937 3.807 2.777 1.00 0.00 C ATOM 1382 C VAL A 873 5.914 3.547 1.636 1.00 0.00 C ATOM 1383 O VAL A 873 6.912 4.251 1.487 1.00 0.00 O ATOM 1384 CB VAL A 873 3.890 4.839 2.316 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.062 4.283 1.168 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.999 5.247 3.479 1.00 0.00 C ATOM 0 H VAL A 873 6.226 5.077 3.836 1.00 0.00 H new ATOM 0 HA VAL A 873 4.431 2.877 3.037 1.00 0.00 H new ATOM 0 HB VAL A 873 4.412 5.727 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.328 5.026 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.716 4.045 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.547 3.379 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.265 5.976 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.484 4.369 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.609 5.689 4.267 1.00 0.00 H new ATOM 1396 N ALA A 874 5.620 2.530 0.832 1.00 0.00 N ATOM 1397 CA ALA A 874 6.471 2.178 -0.298 1.00 0.00 C ATOM 1398 C ALA A 874 5.652 1.580 -1.437 1.00 0.00 C ATOM 1399 O ALA A 874 4.568 1.040 -1.217 1.00 0.00 O ATOM 1400 CB ALA A 874 7.556 1.206 0.142 1.00 0.00 C ATOM 0 H ALA A 874 4.799 1.935 0.943 1.00 0.00 H new ATOM 0 HA ALA A 874 6.942 3.090 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.184 0.951 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.167 1.669 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.095 0.300 0.536 1.00 0.00 H new ATOM 1406 N ILE A 875 6.178 1.681 -2.653 1.00 0.00 N ATOM 1407 CA ILE A 875 5.495 1.149 -3.826 1.00 0.00 C ATOM 1408 C ILE A 875 5.412 -0.373 -3.771 1.00 0.00 C ATOM 1409 O ILE A 875 6.430 -1.063 -3.837 1.00 0.00 O ATOM 1410 CB ILE A 875 6.204 1.567 -5.128 1.00 0.00 C ATOM 1411 CG1 ILE A 875 6.509 3.066 -5.109 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.350 1.209 -6.334 1.00 0.00 C ATOM 1413 CD1 ILE A 875 5.309 3.923 -4.770 1.00 0.00 C ATOM 0 H ILE A 875 7.074 2.126 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 875 4.488 1.566 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 875 7.147 1.025 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 875 7.299 3.258 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.893 3.363 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.864 1.511 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.179 0.133 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.393 1.727 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 875 5.599 4.974 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.525 3.760 -5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.937 3.654 -3.781 1.00 0.00 H new ATOM 1425 N SER A 876 4.194 -0.890 -3.652 1.00 0.00 N ATOM 1426 CA SER A 876 3.978 -2.330 -3.587 1.00 0.00 C ATOM 1427 C SER A 876 4.976 -3.070 -4.472 1.00 0.00 C ATOM 1428 O SER A 876 5.324 -2.605 -5.556 1.00 0.00 O ATOM 1429 CB SER A 876 2.549 -2.673 -4.013 1.00 0.00 C ATOM 1430 OG SER A 876 2.416 -4.057 -4.286 1.00 0.00 O ATOM 0 H SER A 876 3.341 -0.333 -3.599 1.00 0.00 H new ATOM 0 HA SER A 876 4.128 -2.648 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.853 -2.386 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.282 -2.097 -4.899 1.00 0.00 H new ATOM 0 HG SER A 876 1.494 -4.250 -4.555 1.00 0.00 H new ATOM 1436 N ASN A 877 5.432 -4.226 -4.000 1.00 0.00 N ATOM 1437 CA ASN A 877 6.391 -5.031 -4.748 1.00 0.00 C ATOM 1438 C ASN A 877 5.691 -5.840 -5.836 1.00 0.00 C ATOM 1439 O ASN A 877 4.474 -6.017 -5.806 1.00 0.00 O ATOM 1440 CB ASN A 877 7.145 -5.971 -3.804 1.00 0.00 C ATOM 1441 CG ASN A 877 8.375 -5.320 -3.202 1.00 0.00 C ATOM 1442 OD1 ASN A 877 8.413 -4.106 -3.000 1.00 0.00 O ATOM 1443 ND2 ASN A 877 9.389 -6.127 -2.912 1.00 0.00 N ATOM 0 H ASN A 877 5.153 -4.626 -3.104 1.00 0.00 H new ATOM 0 HA ASN A 877 7.102 -4.355 -5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 877 6.477 -6.290 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 877 7.441 -6.868 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 877 10.243 -5.746 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 877 9.314 -7.127 -3.096 1.00 0.00 H new ATOM 1450 N SER A 878 6.470 -6.328 -6.796 1.00 0.00 N ATOM 1451 CA SER A 878 5.925 -7.115 -7.896 1.00 0.00 C ATOM 1452 C SER A 878 6.034 -8.608 -7.601 1.00 0.00 C ATOM 1453 O SER A 878 6.543 -9.011 -6.556 1.00 0.00 O ATOM 1454 CB SER A 878 6.658 -6.787 -9.198 1.00 0.00 C ATOM 1455 OG SER A 878 5.939 -7.265 -10.322 1.00 0.00 O ATOM 0 H SER A 878 7.480 -6.192 -6.834 1.00 0.00 H new ATOM 0 HA SER A 878 4.871 -6.859 -8.006 1.00 0.00 H new ATOM 0 HB2 SER A 878 6.794 -5.709 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 878 7.652 -7.233 -9.182 1.00 0.00 H new ATOM 0 HG SER A 878 6.343 -8.100 -10.638 1.00 0.00 H new ATOM 1461 N GLY A 879 5.549 -9.426 -8.532 1.00 0.00 N ATOM 1462 CA GLY A 879 5.601 -10.865 -8.354 1.00 0.00 C ATOM 1463 C GLY A 879 5.803 -11.604 -9.662 1.00 0.00 C ATOM 1464 O GLY A 879 4.868 -12.163 -10.235 1.00 0.00 O ATOM 0 H GLY A 879 5.122 -9.117 -9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 879 6.412 -11.114 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 879 4.676 -11.204 -7.888 1.00 0.00 H new ATOM 1468 N PRO A 880 7.051 -11.610 -10.156 1.00 0.00 N ATOM 1469 CA PRO A 880 7.402 -12.281 -11.411 1.00 0.00 C ATOM 1470 C PRO A 880 7.335 -13.800 -11.295 1.00 0.00 C ATOM 1471 O PRO A 880 6.883 -14.483 -12.214 1.00 0.00 O ATOM 1472 CB PRO A 880 8.842 -11.827 -11.665 1.00 0.00 C ATOM 1473 CG PRO A 880 9.378 -11.496 -10.315 1.00 0.00 C ATOM 1474 CD PRO A 880 8.214 -10.964 -9.526 1.00 0.00 C ATOM 0 HA PRO A 880 6.712 -12.027 -12.216 1.00 0.00 H new ATOM 0 HB2 PRO A 880 9.427 -12.614 -12.141 1.00 0.00 H new ATOM 0 HB3 PRO A 880 8.873 -10.961 -12.327 1.00 0.00 H new ATOM 0 HG2 PRO A 880 9.803 -12.379 -9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 880 10.175 -10.755 -10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 880 8.293 -11.221 -8.470 1.00 0.00 H new ATOM 0 HD3 PRO A 880 8.151 -9.877 -9.586 1.00 0.00 H new ATOM 1482 N SER A 881 7.786 -14.323 -10.159 1.00 0.00 N ATOM 1483 CA SER A 881 7.780 -15.762 -9.924 1.00 0.00 C ATOM 1484 C SER A 881 7.099 -16.094 -8.600 1.00 0.00 C ATOM 1485 O SER A 881 7.003 -15.249 -7.710 1.00 0.00 O ATOM 1486 CB SER A 881 9.210 -16.306 -9.926 1.00 0.00 C ATOM 1487 OG SER A 881 9.684 -16.493 -11.248 1.00 0.00 O ATOM 0 H SER A 881 8.160 -13.771 -9.387 1.00 0.00 H new ATOM 0 HA SER A 881 7.218 -16.234 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 881 9.866 -15.615 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 881 9.243 -17.253 -9.388 1.00 0.00 H new ATOM 0 HG SER A 881 10.600 -16.840 -11.221 1.00 0.00 H new ATOM 1493 N SER A 882 6.627 -17.330 -8.478 1.00 0.00 N ATOM 1494 CA SER A 882 5.951 -17.774 -7.265 1.00 0.00 C ATOM 1495 C SER A 882 6.959 -18.081 -6.162 1.00 0.00 C ATOM 1496 O SER A 882 8.040 -18.609 -6.423 1.00 0.00 O ATOM 1497 CB SER A 882 5.101 -19.013 -7.554 1.00 0.00 C ATOM 1498 OG SER A 882 4.261 -19.323 -6.455 1.00 0.00 O ATOM 0 H SER A 882 6.700 -18.042 -9.205 1.00 0.00 H new ATOM 0 HA SER A 882 5.301 -16.967 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 882 4.494 -18.842 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 882 5.751 -19.861 -7.770 1.00 0.00 H new ATOM 0 HG SER A 882 3.727 -20.117 -6.665 1.00 0.00 H new ATOM 1504 N GLY A 883 6.597 -17.746 -4.927 1.00 0.00 N ATOM 1505 CA GLY A 883 7.481 -17.993 -3.803 1.00 0.00 C ATOM 1506 C GLY A 883 7.027 -19.166 -2.956 1.00 0.00 C ATOM 1507 O GLY A 883 7.632 -19.468 -1.927 1.00 0.00 O ATOM 0 H GLY A 883 5.708 -17.308 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 883 8.489 -18.184 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 883 7.533 -17.099 -3.182 1.00 0.00 H new TER 1511 GLY A 883