USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=32 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 855 SER OG : rot -14:sc= 0.999 USER MOD Set 1.2: A 859 MET CE :methyl 168:sc= -0.0797 (180deg=0) USER MOD Set 2.1: A 821 CYS SG : rot 160:sc= -0.727 USER MOD Set 2.2: A 824 HIS : no HE2:sc= -0.851 K(o=-3,f=-3.9) USER MOD Set 2.3: A 861 MET CE :methyl -132:sc= -1.42 (180deg=-3.76!) 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 22:sc= 0.381! 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 180:sc= 0 USER MOD Single : A 796 THR OG1 : rot 180:sc= 0 USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 800 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.639) USER MOD Single : A 801 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.6) USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= 0 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.509 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+ 135:sc= -1.54! (180deg=-3.52!) USER MOD Single : A 834 THR OG1 : rot -160:sc= -0.249 USER MOD Single : A 835 ASN : amide:sc= -3.61! C(o=-3.6!,f=-17!) USER MOD Single : A 839 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.114) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -165:sc= 0.87 USER MOD Single : A 850 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 853 GLN : amide:sc= 0.293 K(o=0.29,f=-4.5!) USER MOD Single : A 856 GLN : amide:sc= -0.0495 K(o=-0.05,f=-1.5!) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -122:sc= -3.59! (180deg=-8.88!) 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= -0.0985 K(o=-0.098,f=-1.8!) USER MOD Single : A 872 LYS NZ :NH3+ 167:sc=-0.00328 (180deg=-0.143) USER MOD Single : A 876 SER OG : rot -112:sc= 0.0663 USER MOD Single : A 877 ASN : amide:sc= -0.703 X(o=-0.7,f=-0.43) USER MOD Single : A 878 SER OG : rot -16:sc= 0.642 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 -2.979 17.467 -30.616 1.00 0.00 N ATOM 2 CA GLY A 784 -4.059 18.116 -29.896 1.00 0.00 C ATOM 3 C GLY A 784 -5.424 17.755 -30.449 1.00 0.00 C ATOM 4 O GLY A 784 -6.070 18.571 -31.107 1.00 0.00 O ATOM 0 HA2 GLY A 784 -4.011 17.835 -28.844 1.00 0.00 H new ATOM 0 HA3 GLY A 784 -3.925 19.197 -29.944 1.00 0.00 H new ATOM 8 N SER A 785 -5.862 16.529 -30.185 1.00 0.00 N ATOM 9 CA SER A 785 -7.156 16.059 -30.666 1.00 0.00 C ATOM 10 C SER A 785 -8.054 15.653 -29.501 1.00 0.00 C ATOM 11 O SER A 785 -8.001 14.517 -29.029 1.00 0.00 O ATOM 12 CB SER A 785 -6.971 14.876 -31.618 1.00 0.00 C ATOM 13 OG SER A 785 -8.221 14.392 -32.078 1.00 0.00 O ATOM 0 H SER A 785 -5.340 15.842 -29.640 1.00 0.00 H new ATOM 0 HA SER A 785 -7.635 16.877 -31.203 1.00 0.00 H new ATOM 0 HB2 SER A 785 -6.360 15.181 -32.468 1.00 0.00 H new ATOM 0 HB3 SER A 785 -6.433 14.076 -31.109 1.00 0.00 H new ATOM 0 HG SER A 785 -8.076 13.637 -32.686 1.00 0.00 H new ATOM 19 N SER A 786 -8.877 16.590 -29.042 1.00 0.00 N ATOM 20 CA SER A 786 -9.785 16.332 -27.930 1.00 0.00 C ATOM 21 C SER A 786 -11.167 15.935 -28.438 1.00 0.00 C ATOM 22 O SER A 786 -11.814 16.688 -29.165 1.00 0.00 O ATOM 23 CB SER A 786 -9.893 17.569 -27.036 1.00 0.00 C ATOM 24 OG SER A 786 -8.778 17.669 -26.166 1.00 0.00 O ATOM 0 H SER A 786 -8.934 17.535 -29.423 1.00 0.00 H new ATOM 0 HA SER A 786 -9.381 15.505 -27.347 1.00 0.00 H new ATOM 0 HB2 SER A 786 -9.957 18.464 -27.655 1.00 0.00 H new ATOM 0 HB3 SER A 786 -10.811 17.520 -26.451 1.00 0.00 H new ATOM 0 HG SER A 786 -8.870 18.468 -25.607 1.00 0.00 H new ATOM 30 N GLY A 787 -11.615 14.745 -28.047 1.00 0.00 N ATOM 31 CA GLY A 787 -12.918 14.268 -28.472 1.00 0.00 C ATOM 32 C GLY A 787 -13.165 12.826 -28.074 1.00 0.00 C ATOM 33 O GLY A 787 -12.802 11.903 -28.803 1.00 0.00 O ATOM 0 H GLY A 787 -11.099 14.104 -27.444 1.00 0.00 H new ATOM 0 HA2 GLY A 787 -13.692 14.900 -28.037 1.00 0.00 H new ATOM 0 HA3 GLY A 787 -13.001 14.362 -29.555 1.00 0.00 H new ATOM 37 N SER A 788 -13.782 12.632 -26.913 1.00 0.00 N ATOM 38 CA SER A 788 -14.072 11.292 -26.416 1.00 0.00 C ATOM 39 C SER A 788 -14.980 11.351 -25.191 1.00 0.00 C ATOM 40 O SER A 788 -14.654 11.994 -24.194 1.00 0.00 O ATOM 41 CB SER A 788 -12.773 10.562 -26.067 1.00 0.00 C ATOM 42 OG SER A 788 -12.225 11.048 -24.854 1.00 0.00 O ATOM 0 H SER A 788 -14.091 13.386 -26.299 1.00 0.00 H new ATOM 0 HA SER A 788 -14.589 10.744 -27.204 1.00 0.00 H new ATOM 0 HB2 SER A 788 -12.965 9.493 -25.980 1.00 0.00 H new ATOM 0 HB3 SER A 788 -12.051 10.692 -26.873 1.00 0.00 H new ATOM 0 HG SER A 788 -12.930 11.478 -24.326 1.00 0.00 H new ATOM 48 N SER A 789 -16.121 10.675 -25.275 1.00 0.00 N ATOM 49 CA SER A 789 -17.079 10.653 -24.176 1.00 0.00 C ATOM 50 C SER A 789 -16.910 9.392 -23.333 1.00 0.00 C ATOM 51 O SER A 789 -16.742 8.295 -23.864 1.00 0.00 O ATOM 52 CB SER A 789 -18.509 10.731 -24.716 1.00 0.00 C ATOM 53 OG SER A 789 -19.410 11.165 -23.712 1.00 0.00 O ATOM 0 H SER A 789 -16.405 10.135 -26.093 1.00 0.00 H new ATOM 0 HA SER A 789 -16.889 11.520 -23.544 1.00 0.00 H new ATOM 0 HB2 SER A 789 -18.545 11.417 -25.562 1.00 0.00 H new ATOM 0 HB3 SER A 789 -18.815 9.752 -25.086 1.00 0.00 H new ATOM 0 HG SER A 789 -20.316 11.208 -24.082 1.00 0.00 H new ATOM 59 N GLY A 790 -16.956 9.559 -22.015 1.00 0.00 N ATOM 60 CA GLY A 790 -16.807 8.427 -21.119 1.00 0.00 C ATOM 61 C GLY A 790 -15.589 7.586 -21.446 1.00 0.00 C ATOM 62 O GLY A 790 -15.661 6.667 -22.262 1.00 0.00 O ATOM 0 H GLY A 790 -17.094 10.457 -21.552 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -16.731 8.787 -20.093 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -17.700 7.804 -21.173 1.00 0.00 H new ATOM 66 N VAL A 791 -14.466 7.900 -20.808 1.00 0.00 N ATOM 67 CA VAL A 791 -13.227 7.167 -21.035 1.00 0.00 C ATOM 68 C VAL A 791 -13.249 5.817 -20.327 1.00 0.00 C ATOM 69 O VAL A 791 -13.770 5.693 -19.219 1.00 0.00 O ATOM 70 CB VAL A 791 -12.003 7.968 -20.551 1.00 0.00 C ATOM 71 CG1 VAL A 791 -12.137 8.305 -19.074 1.00 0.00 C ATOM 72 CG2 VAL A 791 -10.721 7.193 -20.815 1.00 0.00 C ATOM 0 H VAL A 791 -14.389 8.658 -20.129 1.00 0.00 H new ATOM 0 HA VAL A 791 -13.146 7.009 -22.110 1.00 0.00 H new ATOM 0 HB VAL A 791 -11.957 8.902 -21.110 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -11.264 8.871 -18.749 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -13.035 8.902 -18.917 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -12.208 7.384 -18.496 1.00 0.00 H new ATOM 0 HG21 VAL A 791 -9.867 7.774 -20.467 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -10.755 6.242 -20.283 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -10.622 7.007 -21.884 1.00 0.00 H new ATOM 82 N PHE A 792 -12.680 4.806 -20.975 1.00 0.00 N ATOM 83 CA PHE A 792 -12.634 3.463 -20.408 1.00 0.00 C ATOM 84 C PHE A 792 -11.261 3.171 -19.810 1.00 0.00 C ATOM 85 O PHE A 792 -10.234 3.370 -20.460 1.00 0.00 O ATOM 86 CB PHE A 792 -12.968 2.422 -21.479 1.00 0.00 C ATOM 87 CG PHE A 792 -14.269 2.683 -22.183 1.00 0.00 C ATOM 88 CD1 PHE A 792 -14.333 3.577 -23.240 1.00 0.00 C ATOM 89 CD2 PHE A 792 -15.428 2.034 -21.789 1.00 0.00 C ATOM 90 CE1 PHE A 792 -15.528 3.820 -23.889 1.00 0.00 C ATOM 91 CE2 PHE A 792 -16.626 2.272 -22.435 1.00 0.00 C ATOM 92 CZ PHE A 792 -16.676 3.165 -23.487 1.00 0.00 C ATOM 0 H PHE A 792 -12.244 4.891 -21.893 1.00 0.00 H new ATOM 0 HA PHE A 792 -13.377 3.407 -19.612 1.00 0.00 H new ATOM 0 HB2 PHE A 792 -12.164 2.399 -22.215 1.00 0.00 H new ATOM 0 HB3 PHE A 792 -13.006 1.436 -21.017 1.00 0.00 H new ATOM 0 HD1 PHE A 792 -13.438 4.090 -23.560 1.00 0.00 H new ATOM 0 HD2 PHE A 792 -15.395 1.334 -20.967 1.00 0.00 H new ATOM 0 HE1 PHE A 792 -15.565 4.521 -24.710 1.00 0.00 H new ATOM 0 HE2 PHE A 792 -17.522 1.760 -22.117 1.00 0.00 H new ATOM 0 HZ PHE A 792 -17.611 3.351 -23.995 1.00 0.00 H new ATOM 102 N ARG A 793 -11.252 2.699 -18.568 1.00 0.00 N ATOM 103 CA ARG A 793 -10.006 2.382 -17.881 1.00 0.00 C ATOM 104 C ARG A 793 -9.696 0.891 -17.978 1.00 0.00 C ATOM 105 O ARG A 793 -10.602 0.063 -18.074 1.00 0.00 O ATOM 106 CB ARG A 793 -10.087 2.802 -16.412 1.00 0.00 C ATOM 107 CG ARG A 793 -11.045 1.956 -15.589 1.00 0.00 C ATOM 108 CD ARG A 793 -12.453 2.531 -15.609 1.00 0.00 C ATOM 109 NE ARG A 793 -13.190 2.217 -14.388 1.00 0.00 N ATOM 110 CZ ARG A 793 -13.820 1.066 -14.185 1.00 0.00 C ATOM 111 NH1 ARG A 793 -13.803 0.123 -15.118 1.00 0.00 N ATOM 112 NH2 ARG A 793 -14.469 0.854 -13.047 1.00 0.00 N ATOM 0 H ARG A 793 -12.093 2.528 -18.017 1.00 0.00 H new ATOM 0 HA ARG A 793 -9.202 2.936 -18.366 1.00 0.00 H new ATOM 0 HB2 ARG A 793 -9.092 2.743 -15.971 1.00 0.00 H new ATOM 0 HB3 ARG A 793 -10.398 3.845 -16.358 1.00 0.00 H new ATOM 0 HG2 ARG A 793 -11.061 0.938 -15.979 1.00 0.00 H new ATOM 0 HG3 ARG A 793 -10.689 1.898 -14.560 1.00 0.00 H new ATOM 0 HD2 ARG A 793 -12.401 3.613 -15.733 1.00 0.00 H new ATOM 0 HD3 ARG A 793 -12.993 2.137 -16.470 1.00 0.00 H new ATOM 0 HE ARG A 793 -13.223 2.921 -13.650 1.00 0.00 H new ATOM 0 HH11 ARG A 793 -13.305 0.281 -15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 793 -14.288 -0.760 -14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 793 -14.484 1.576 -12.327 1.00 0.00 H new ATOM 0 HH22 ARG A 793 -14.952 -0.031 -12.893 1.00 0.00 H new ATOM 126 N TYR A 794 -8.411 0.556 -17.953 1.00 0.00 N ATOM 127 CA TYR A 794 -7.981 -0.834 -18.041 1.00 0.00 C ATOM 128 C TYR A 794 -7.112 -1.213 -16.846 1.00 0.00 C ATOM 129 O TYR A 794 -6.818 -0.380 -15.989 1.00 0.00 O ATOM 130 CB TYR A 794 -7.210 -1.070 -19.341 1.00 0.00 C ATOM 131 CG TYR A 794 -6.022 -0.152 -19.515 1.00 0.00 C ATOM 132 CD1 TYR A 794 -6.160 1.085 -20.134 1.00 0.00 C ATOM 133 CD2 TYR A 794 -4.761 -0.520 -19.063 1.00 0.00 C ATOM 134 CE1 TYR A 794 -5.077 1.928 -20.296 1.00 0.00 C ATOM 135 CE2 TYR A 794 -3.673 0.316 -19.220 1.00 0.00 C ATOM 136 CZ TYR A 794 -3.836 1.539 -19.837 1.00 0.00 C ATOM 137 OH TYR A 794 -2.754 2.375 -19.996 1.00 0.00 O ATOM 0 H TYR A 794 -7.649 1.229 -17.872 1.00 0.00 H new ATOM 0 HA TYR A 794 -8.871 -1.463 -18.034 1.00 0.00 H new ATOM 0 HB2 TYR A 794 -6.866 -2.104 -19.367 1.00 0.00 H new ATOM 0 HB3 TYR A 794 -7.887 -0.938 -20.185 1.00 0.00 H new ATOM 0 HD1 TYR A 794 -7.130 1.393 -20.495 1.00 0.00 H new ATOM 0 HD2 TYR A 794 -4.629 -1.477 -18.580 1.00 0.00 H new ATOM 0 HE1 TYR A 794 -5.202 2.886 -20.779 1.00 0.00 H new ATOM 0 HE2 TYR A 794 -2.700 0.014 -18.862 1.00 0.00 H new ATOM 0 HH TYR A 794 -1.955 1.952 -19.617 1.00 0.00 H new ATOM 147 N SER A 795 -6.704 -2.477 -16.796 1.00 0.00 N ATOM 148 CA SER A 795 -5.872 -2.970 -15.705 1.00 0.00 C ATOM 149 C SER A 795 -4.399 -2.976 -16.105 1.00 0.00 C ATOM 150 O SER A 795 -4.058 -3.241 -17.258 1.00 0.00 O ATOM 151 CB SER A 795 -6.308 -4.378 -15.298 1.00 0.00 C ATOM 152 OG SER A 795 -6.115 -5.298 -16.358 1.00 0.00 O ATOM 0 H SER A 795 -6.936 -3.179 -17.499 1.00 0.00 H new ATOM 0 HA SER A 795 -5.997 -2.300 -14.855 1.00 0.00 H new ATOM 0 HB2 SER A 795 -5.740 -4.700 -14.425 1.00 0.00 H new ATOM 0 HB3 SER A 795 -7.359 -4.367 -15.008 1.00 0.00 H new ATOM 0 HG SER A 795 -6.400 -6.191 -16.072 1.00 0.00 H new ATOM 158 N THR A 796 -3.530 -2.683 -15.143 1.00 0.00 N ATOM 159 CA THR A 796 -2.094 -2.653 -15.394 1.00 0.00 C ATOM 160 C THR A 796 -1.446 -3.986 -15.034 1.00 0.00 C ATOM 161 O THR A 796 -1.712 -4.550 -13.973 1.00 0.00 O ATOM 162 CB THR A 796 -1.408 -1.529 -14.595 1.00 0.00 C ATOM 163 OG1 THR A 796 -1.982 -0.263 -14.939 1.00 0.00 O ATOM 164 CG2 THR A 796 0.088 -1.505 -14.871 1.00 0.00 C ATOM 0 H THR A 796 -3.795 -2.463 -14.183 1.00 0.00 H new ATOM 0 HA THR A 796 -1.962 -2.464 -16.459 1.00 0.00 H new ATOM 0 HB THR A 796 -1.563 -1.721 -13.533 1.00 0.00 H new ATOM 0 HG1 THR A 796 -1.542 0.446 -14.426 1.00 0.00 H new ATOM 0 HG21 THR A 796 0.551 -0.703 -14.296 1.00 0.00 H new ATOM 0 HG22 THR A 796 0.527 -2.460 -14.581 1.00 0.00 H new ATOM 0 HG23 THR A 796 0.259 -1.335 -15.934 1.00 0.00 H new ATOM 172 N SER A 797 -0.594 -4.483 -15.925 1.00 0.00 N ATOM 173 CA SER A 797 0.090 -5.752 -15.702 1.00 0.00 C ATOM 174 C SER A 797 0.748 -5.780 -14.326 1.00 0.00 C ATOM 175 O SER A 797 0.540 -6.709 -13.544 1.00 0.00 O ATOM 176 CB SER A 797 1.142 -5.985 -16.788 1.00 0.00 C ATOM 177 OG SER A 797 2.024 -7.034 -16.427 1.00 0.00 O ATOM 0 H SER A 797 -0.361 -4.027 -16.807 1.00 0.00 H new ATOM 0 HA SER A 797 -0.652 -6.550 -15.747 1.00 0.00 H new ATOM 0 HB2 SER A 797 0.650 -6.228 -17.730 1.00 0.00 H new ATOM 0 HB3 SER A 797 1.709 -5.069 -16.952 1.00 0.00 H new ATOM 0 HG SER A 797 2.686 -7.164 -17.138 1.00 0.00 H new ATOM 183 N LEU A 798 1.543 -4.755 -14.036 1.00 0.00 N ATOM 184 CA LEU A 798 2.232 -4.661 -12.754 1.00 0.00 C ATOM 185 C LEU A 798 1.275 -4.220 -11.652 1.00 0.00 C ATOM 186 O LEU A 798 0.341 -3.457 -11.897 1.00 0.00 O ATOM 187 CB LEU A 798 3.401 -3.679 -12.853 1.00 0.00 C ATOM 188 CG LEU A 798 4.706 -4.243 -13.417 1.00 0.00 C ATOM 189 CD1 LEU A 798 5.228 -5.365 -12.533 1.00 0.00 C ATOM 190 CD2 LEU A 798 4.502 -4.735 -14.842 1.00 0.00 C ATOM 0 H LEU A 798 1.726 -3.978 -14.671 1.00 0.00 H new ATOM 0 HA LEU A 798 2.615 -5.650 -12.502 1.00 0.00 H new ATOM 0 HB2 LEU A 798 3.092 -2.839 -13.476 1.00 0.00 H new ATOM 0 HB3 LEU A 798 3.601 -3.281 -11.858 1.00 0.00 H new ATOM 0 HG LEU A 798 5.448 -3.445 -13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 798 6.157 -5.754 -12.950 1.00 0.00 H new ATOM 0 HD12 LEU A 798 5.413 -4.982 -11.530 1.00 0.00 H new ATOM 0 HD13 LEU A 798 4.489 -6.165 -12.485 1.00 0.00 H new ATOM 0 HD21 LEU A 798 5.441 -5.133 -15.227 1.00 0.00 H new ATOM 0 HD22 LEU A 798 3.745 -5.519 -14.851 1.00 0.00 H new ATOM 0 HD23 LEU A 798 4.174 -3.906 -15.470 1.00 0.00 H new ATOM 202 N GLU A 799 1.516 -4.704 -10.437 1.00 0.00 N ATOM 203 CA GLU A 799 0.675 -4.358 -9.297 1.00 0.00 C ATOM 204 C GLU A 799 1.262 -3.179 -8.526 1.00 0.00 C ATOM 205 O GLU A 799 1.283 -3.176 -7.295 1.00 0.00 O ATOM 206 CB GLU A 799 0.518 -5.563 -8.367 1.00 0.00 C ATOM 207 CG GLU A 799 -0.083 -6.782 -9.047 1.00 0.00 C ATOM 208 CD GLU A 799 0.868 -7.425 -10.037 1.00 0.00 C ATOM 209 OE1 GLU A 799 1.916 -7.947 -9.601 1.00 0.00 O ATOM 210 OE2 GLU A 799 0.564 -7.407 -11.248 1.00 0.00 O ATOM 0 H GLU A 799 2.286 -5.336 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 799 -0.306 -4.070 -9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 799 1.494 -5.828 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 799 -0.112 -5.281 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 799 -0.364 -7.514 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 799 -0.998 -6.491 -9.564 1.00 0.00 H new ATOM 217 N LYS A 800 1.738 -2.178 -9.259 1.00 0.00 N ATOM 218 CA LYS A 800 2.325 -0.992 -8.647 1.00 0.00 C ATOM 219 C LYS A 800 1.242 -0.083 -8.075 1.00 0.00 C ATOM 220 O LYS A 800 1.388 0.460 -6.979 1.00 0.00 O ATOM 221 CB LYS A 800 3.161 -0.224 -9.673 1.00 0.00 C ATOM 222 CG LYS A 800 4.527 -0.839 -9.926 1.00 0.00 C ATOM 223 CD LYS A 800 5.020 -0.541 -11.332 1.00 0.00 C ATOM 224 CE LYS A 800 6.534 -0.657 -11.429 1.00 0.00 C ATOM 225 NZ LYS A 800 6.985 -2.076 -11.386 1.00 0.00 N ATOM 0 H LYS A 800 1.729 -2.165 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 800 2.971 -1.316 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 800 2.613 -0.177 -10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 800 3.292 0.802 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 800 5.241 -0.452 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 800 4.474 -1.918 -9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.555 -1.232 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.712 0.464 -11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 800 6.875 -0.195 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 800 6.994 -0.105 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 7.892 -2.137 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 6.273 -2.652 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 7.105 -2.432 -12.356 1.00 0.00 H new ATOM 239 N HIS A 801 0.155 0.078 -8.823 1.00 0.00 N ATOM 240 CA HIS A 801 -0.954 0.921 -8.389 1.00 0.00 C ATOM 241 C HIS A 801 -1.203 0.762 -6.892 1.00 0.00 C ATOM 242 O HIS A 801 -1.428 1.742 -6.181 1.00 0.00 O ATOM 243 CB HIS A 801 -2.222 0.573 -9.168 1.00 0.00 C ATOM 244 CG HIS A 801 -2.714 -0.820 -8.922 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.913 -1.935 -9.051 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.933 -1.275 -8.549 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.619 -3.016 -8.771 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.848 -2.643 -8.463 1.00 0.00 N ATOM 0 H HIS A 801 0.018 -0.364 -9.732 1.00 0.00 H new ATOM 0 HA HIS A 801 -0.688 1.959 -8.588 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.008 1.279 -8.901 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.030 0.698 -10.234 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.809 -0.674 -8.355 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -2.253 -4.032 -8.791 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.610 -3.269 -8.203 1.00 0.00 H new ATOM 256 N LYS A 802 -1.162 -0.479 -6.419 1.00 0.00 N ATOM 257 CA LYS A 802 -1.383 -0.768 -5.007 1.00 0.00 C ATOM 258 C LYS A 802 -0.321 -0.096 -4.142 1.00 0.00 C ATOM 259 O LYS A 802 0.627 0.501 -4.655 1.00 0.00 O ATOM 260 CB LYS A 802 -1.371 -2.279 -4.766 1.00 0.00 C ATOM 261 CG LYS A 802 -2.735 -2.930 -4.918 1.00 0.00 C ATOM 262 CD LYS A 802 -2.702 -4.394 -4.514 1.00 0.00 C ATOM 263 CE LYS A 802 -2.337 -5.289 -5.689 1.00 0.00 C ATOM 264 NZ LYS A 802 -1.626 -6.520 -5.248 1.00 0.00 N ATOM 0 H LYS A 802 -0.978 -1.301 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.359 -0.370 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 802 -0.676 -2.744 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.994 -2.475 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -3.463 -2.399 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -3.067 -2.845 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.979 -4.534 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -3.676 -4.686 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -3.242 -5.566 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -1.707 -4.735 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -1.395 -7.103 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -0.749 -6.257 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.237 -7.062 -4.603 1.00 0.00 H new ATOM 278 N LEU A 803 -0.484 -0.198 -2.827 1.00 0.00 N ATOM 279 CA LEU A 803 0.462 0.399 -1.890 1.00 0.00 C ATOM 280 C LEU A 803 0.694 -0.518 -0.694 1.00 0.00 C ATOM 281 O LEU A 803 -0.202 -1.252 -0.277 1.00 0.00 O ATOM 282 CB LEU A 803 -0.052 1.759 -1.413 1.00 0.00 C ATOM 283 CG LEU A 803 -0.684 2.650 -2.483 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.438 3.803 -1.839 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.379 3.173 -3.438 1.00 0.00 C ATOM 0 H LEU A 803 -1.262 -0.688 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 803 1.411 0.538 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.788 1.591 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.779 2.301 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.394 2.052 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.881 4.427 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.225 3.409 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.749 4.401 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -0.089 3.805 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.113 3.755 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 803 0.875 2.334 -3.925 1.00 0.00 H new ATOM 297 N PHE A 804 1.903 -0.469 -0.143 1.00 0.00 N ATOM 298 CA PHE A 804 2.253 -1.294 1.007 1.00 0.00 C ATOM 299 C PHE A 804 2.717 -0.429 2.176 1.00 0.00 C ATOM 300 O PHE A 804 3.809 0.139 2.146 1.00 0.00 O ATOM 301 CB PHE A 804 3.350 -2.292 0.630 1.00 0.00 C ATOM 302 CG PHE A 804 4.131 -2.798 1.809 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.609 -3.782 2.632 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.388 -2.288 2.094 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.326 -4.250 3.718 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.109 -2.753 3.177 1.00 0.00 C ATOM 307 CZ PHE A 804 5.577 -3.733 3.991 1.00 0.00 C ATOM 0 H PHE A 804 2.656 0.133 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 804 1.362 -1.842 1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 804 2.898 -3.139 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.035 -1.818 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.630 -4.189 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.808 -1.519 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.908 -5.018 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 804 7.089 -2.350 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.138 -4.095 4.840 1.00 0.00 H new ATOM 317 N ILE A 805 1.880 -0.335 3.203 1.00 0.00 N ATOM 318 CA ILE A 805 2.203 0.460 4.381 1.00 0.00 C ATOM 319 C ILE A 805 2.638 -0.430 5.541 1.00 0.00 C ATOM 320 O ILE A 805 2.080 -1.506 5.755 1.00 0.00 O ATOM 321 CB ILE A 805 1.005 1.318 4.828 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.286 1.902 3.611 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.467 2.428 5.761 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.697 2.998 3.958 1.00 0.00 C ATOM 0 H ILE A 805 0.973 -0.800 3.243 1.00 0.00 H new ATOM 0 HA ILE A 805 3.026 1.118 4.102 1.00 0.00 H new ATOM 0 HB ILE A 805 0.304 0.683 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.027 2.297 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.242 1.102 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.609 3.026 6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.939 1.991 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.185 3.064 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.169 3.365 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.460 2.603 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.171 3.817 4.449 1.00 0.00 H new ATOM 336 N SER A 806 3.637 0.029 6.289 1.00 0.00 N ATOM 337 CA SER A 806 4.148 -0.726 7.427 1.00 0.00 C ATOM 338 C SER A 806 4.406 0.193 8.617 1.00 0.00 C ATOM 339 O SER A 806 4.465 1.414 8.472 1.00 0.00 O ATOM 340 CB SER A 806 5.436 -1.457 7.044 1.00 0.00 C ATOM 341 OG SER A 806 5.901 -2.265 8.111 1.00 0.00 O ATOM 0 H SER A 806 4.108 0.919 6.127 1.00 0.00 H new ATOM 0 HA SER A 806 3.394 -1.459 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.258 -2.077 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 806 6.203 -0.731 6.773 1.00 0.00 H new ATOM 0 HG SER A 806 6.724 -2.723 7.840 1.00 0.00 H new ATOM 347 N GLY A 807 4.560 -0.403 9.796 1.00 0.00 N ATOM 348 CA GLY A 807 4.809 0.376 10.994 1.00 0.00 C ATOM 349 C GLY A 807 3.579 1.124 11.466 1.00 0.00 C ATOM 350 O GLY A 807 3.656 2.301 11.822 1.00 0.00 O ATOM 0 H GLY A 807 4.517 -1.412 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 807 5.155 -0.286 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.611 1.088 10.800 1.00 0.00 H new ATOM 354 N LEU A 808 2.439 0.442 11.469 1.00 0.00 N ATOM 355 CA LEU A 808 1.184 1.050 11.899 1.00 0.00 C ATOM 356 C LEU A 808 0.762 0.518 13.265 1.00 0.00 C ATOM 357 O LEU A 808 0.931 -0.660 13.579 1.00 0.00 O ATOM 358 CB LEU A 808 0.084 0.779 10.872 1.00 0.00 C ATOM 359 CG LEU A 808 0.113 1.648 9.613 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.677 0.990 8.493 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.435 3.036 9.911 1.00 0.00 C ATOM 0 H LEU A 808 2.357 -0.532 11.179 1.00 0.00 H new ATOM 0 HA LEU A 808 1.339 2.126 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 808 0.146 -0.266 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -0.882 0.913 11.360 1.00 0.00 H new ATOM 0 HG LEU A 808 1.148 1.750 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.645 1.622 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.241 0.018 8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.712 0.857 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.407 3.641 9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.464 2.954 10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.173 3.509 10.682 1.00 0.00 H new ATOM 373 N PRO A 809 0.197 1.406 14.097 1.00 0.00 N ATOM 374 CA PRO A 809 -0.264 1.048 15.442 1.00 0.00 C ATOM 375 C PRO A 809 -1.493 0.146 15.413 1.00 0.00 C ATOM 376 O PRO A 809 -2.492 0.462 14.767 1.00 0.00 O ATOM 377 CB PRO A 809 -0.608 2.400 16.071 1.00 0.00 C ATOM 378 CG PRO A 809 -0.921 3.287 14.915 1.00 0.00 C ATOM 379 CD PRO A 809 -0.036 2.827 13.789 1.00 0.00 C ATOM 0 HA PRO A 809 0.489 0.485 15.994 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.458 2.317 16.748 1.00 0.00 H new ATOM 0 HB3 PRO A 809 0.227 2.789 16.654 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -1.973 3.213 14.640 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -0.729 4.331 15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.519 2.954 12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.897 3.389 13.756 1.00 0.00 H new ATOM 387 N PHE A 810 -1.413 -0.979 16.116 1.00 0.00 N ATOM 388 CA PHE A 810 -2.519 -1.928 16.170 1.00 0.00 C ATOM 389 C PHE A 810 -3.855 -1.199 16.278 1.00 0.00 C ATOM 390 O PHE A 810 -4.868 -1.656 15.749 1.00 0.00 O ATOM 391 CB PHE A 810 -2.346 -2.879 17.356 1.00 0.00 C ATOM 392 CG PHE A 810 -0.918 -3.278 17.601 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.174 -3.886 16.603 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.321 -3.045 18.830 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.140 -4.254 16.825 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.992 -3.411 19.057 1.00 0.00 C ATOM 397 CZ PHE A 810 1.723 -4.017 18.054 1.00 0.00 C ATOM 0 H PHE A 810 -0.593 -1.256 16.656 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.514 -2.507 15.246 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.741 -2.403 18.254 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.941 -3.776 17.182 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.626 -4.075 15.640 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.888 -2.572 19.618 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.710 -4.726 16.038 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.447 -3.223 20.019 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.749 -4.305 18.231 1.00 0.00 H new ATOM 407 N SER A 811 -3.849 -0.064 16.970 1.00 0.00 N ATOM 408 CA SER A 811 -5.061 0.726 17.152 1.00 0.00 C ATOM 409 C SER A 811 -5.724 1.022 15.811 1.00 0.00 C ATOM 410 O SER A 811 -6.906 0.736 15.614 1.00 0.00 O ATOM 411 CB SER A 811 -4.737 2.036 17.874 1.00 0.00 C ATOM 412 OG SER A 811 -4.060 1.792 19.094 1.00 0.00 O ATOM 0 H SER A 811 -3.019 0.329 17.414 1.00 0.00 H new ATOM 0 HA SER A 811 -5.755 0.146 17.760 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.121 2.666 17.232 1.00 0.00 H new ATOM 0 HB3 SER A 811 -5.658 2.585 18.069 1.00 0.00 H new ATOM 0 HG SER A 811 -3.863 2.645 19.535 1.00 0.00 H new ATOM 418 N CYS A 812 -4.955 1.595 14.892 1.00 0.00 N ATOM 419 CA CYS A 812 -5.467 1.931 13.568 1.00 0.00 C ATOM 420 C CYS A 812 -6.288 0.781 12.994 1.00 0.00 C ATOM 421 O CYS A 812 -6.101 -0.378 13.368 1.00 0.00 O ATOM 422 CB CYS A 812 -4.313 2.271 12.623 1.00 0.00 C ATOM 423 SG CYS A 812 -4.754 3.430 11.307 1.00 0.00 S ATOM 0 H CYS A 812 -3.975 1.837 15.039 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.115 2.802 13.667 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.493 2.693 13.205 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -3.943 1.350 12.173 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.713 3.657 10.562 1.00 0.00 H new ATOM 429 N THR A 813 -7.200 1.108 12.084 1.00 0.00 N ATOM 430 CA THR A 813 -8.052 0.103 11.461 1.00 0.00 C ATOM 431 C THR A 813 -8.222 0.374 9.971 1.00 0.00 C ATOM 432 O THR A 813 -7.809 1.419 9.468 1.00 0.00 O ATOM 433 CB THR A 813 -9.442 0.055 12.124 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.334 -0.740 11.335 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.012 1.456 12.287 1.00 0.00 C ATOM 0 H THR A 813 -7.368 2.061 11.762 1.00 0.00 H new ATOM 0 HA THR A 813 -7.558 -0.859 11.599 1.00 0.00 H new ATOM 0 HB THR A 813 -9.334 -0.393 13.112 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.215 -0.767 11.764 1.00 0.00 H new ATOM 0 HG21 THR A 813 -10.994 1.397 12.757 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.345 2.050 12.912 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.106 1.927 11.308 1.00 0.00 H new ATOM 443 N LYS A 814 -8.834 -0.573 9.268 1.00 0.00 N ATOM 444 CA LYS A 814 -9.061 -0.437 7.834 1.00 0.00 C ATOM 445 C LYS A 814 -9.838 0.839 7.525 1.00 0.00 C ATOM 446 O LYS A 814 -9.398 1.666 6.727 1.00 0.00 O ATOM 447 CB LYS A 814 -9.822 -1.652 7.299 1.00 0.00 C ATOM 448 CG LYS A 814 -9.761 -1.792 5.788 1.00 0.00 C ATOM 449 CD LYS A 814 -10.907 -1.058 5.113 1.00 0.00 C ATOM 450 CE LYS A 814 -12.201 -1.854 5.190 1.00 0.00 C ATOM 451 NZ LYS A 814 -13.355 -1.093 4.637 1.00 0.00 N ATOM 0 H LYS A 814 -9.182 -1.444 9.669 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.090 -0.379 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.416 -2.554 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -10.865 -1.581 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -8.812 -1.400 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.795 -2.847 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -11.047 -0.086 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -10.656 -0.870 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -12.086 -2.788 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -12.404 -2.117 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -14.217 -1.670 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -13.482 -0.213 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -13.173 -0.863 3.639 1.00 0.00 H new ATOM 465 N GLU A 815 -10.994 0.992 8.164 1.00 0.00 N ATOM 466 CA GLU A 815 -11.831 2.168 7.957 1.00 0.00 C ATOM 467 C GLU A 815 -10.986 3.438 7.928 1.00 0.00 C ATOM 468 O GLU A 815 -10.873 4.097 6.895 1.00 0.00 O ATOM 469 CB GLU A 815 -12.888 2.270 9.059 1.00 0.00 C ATOM 470 CG GLU A 815 -13.781 1.045 9.160 1.00 0.00 C ATOM 471 CD GLU A 815 -15.096 1.338 9.857 1.00 0.00 C ATOM 472 OE1 GLU A 815 -16.002 1.897 9.206 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.217 1.008 11.056 1.00 0.00 O ATOM 0 H GLU A 815 -11.372 0.317 8.829 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.330 2.062 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.390 2.426 10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.508 3.147 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -13.982 0.663 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.254 0.259 9.702 1.00 0.00 H new ATOM 480 N GLU A 816 -10.396 3.775 9.070 1.00 0.00 N ATOM 481 CA GLU A 816 -9.563 4.968 9.176 1.00 0.00 C ATOM 482 C GLU A 816 -8.654 5.106 7.958 1.00 0.00 C ATOM 483 O GLU A 816 -8.705 6.107 7.242 1.00 0.00 O ATOM 484 CB GLU A 816 -8.720 4.916 10.452 1.00 0.00 C ATOM 485 CG GLU A 816 -9.478 5.336 11.700 1.00 0.00 C ATOM 486 CD GLU A 816 -8.565 5.877 12.783 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.021 6.987 12.600 1.00 0.00 O ATOM 488 OE2 GLU A 816 -8.393 5.192 13.812 1.00 0.00 O ATOM 0 H GLU A 816 -10.479 3.240 9.934 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.220 5.837 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.345 3.902 10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.851 5.563 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.212 6.097 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -10.031 4.481 12.090 1.00 0.00 H new ATOM 495 N LEU A 817 -7.822 4.095 7.730 1.00 0.00 N ATOM 496 CA LEU A 817 -6.901 4.103 6.599 1.00 0.00 C ATOM 497 C LEU A 817 -7.628 4.458 5.306 1.00 0.00 C ATOM 498 O LEU A 817 -7.336 5.474 4.678 1.00 0.00 O ATOM 499 CB LEU A 817 -6.223 2.739 6.459 1.00 0.00 C ATOM 500 CG LEU A 817 -4.884 2.727 5.721 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.879 3.626 6.425 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.347 1.308 5.612 1.00 0.00 C ATOM 0 H LEU A 817 -7.767 3.260 8.313 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.141 4.862 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.069 2.328 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.907 2.067 5.940 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.043 3.112 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -2.932 3.605 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.260 4.647 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.724 3.271 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.394 1.319 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.204 0.895 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.058 0.691 5.063 1.00 0.00 H new ATOM 514 N GLU A 818 -8.578 3.613 4.917 1.00 0.00 N ATOM 515 CA GLU A 818 -9.348 3.839 3.699 1.00 0.00 C ATOM 516 C GLU A 818 -9.713 5.313 3.552 1.00 0.00 C ATOM 517 O GLU A 818 -9.338 5.960 2.575 1.00 0.00 O ATOM 518 CB GLU A 818 -10.619 2.986 3.707 1.00 0.00 C ATOM 519 CG GLU A 818 -11.535 3.249 2.524 1.00 0.00 C ATOM 520 CD GLU A 818 -12.444 4.443 2.744 1.00 0.00 C ATOM 521 OE1 GLU A 818 -12.757 4.741 3.916 1.00 0.00 O ATOM 522 OE2 GLU A 818 -12.842 5.077 1.746 1.00 0.00 O ATOM 0 H GLU A 818 -8.833 2.767 5.427 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.730 3.549 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.340 1.932 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.168 3.175 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -10.931 3.416 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -12.143 2.364 2.336 1.00 0.00 H new ATOM 529 N GLU A 819 -10.446 5.836 4.530 1.00 0.00 N ATOM 530 CA GLU A 819 -10.862 7.233 4.508 1.00 0.00 C ATOM 531 C GLU A 819 -9.690 8.145 4.157 1.00 0.00 C ATOM 532 O GLU A 819 -9.848 9.123 3.426 1.00 0.00 O ATOM 533 CB GLU A 819 -11.447 7.635 5.863 1.00 0.00 C ATOM 534 CG GLU A 819 -12.836 7.073 6.118 1.00 0.00 C ATOM 535 CD GLU A 819 -13.451 7.597 7.401 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.805 7.472 8.462 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.578 8.131 7.344 1.00 0.00 O ATOM 0 H GLU A 819 -10.764 5.314 5.347 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.629 7.345 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.777 7.297 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.488 8.723 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.485 7.324 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -12.781 5.985 6.164 1.00 0.00 H new ATOM 544 N ILE A 820 -8.515 7.817 4.684 1.00 0.00 N ATOM 545 CA ILE A 820 -7.316 8.606 4.427 1.00 0.00 C ATOM 546 C ILE A 820 -6.795 8.368 3.013 1.00 0.00 C ATOM 547 O ILE A 820 -6.172 9.246 2.415 1.00 0.00 O ATOM 548 CB ILE A 820 -6.200 8.278 5.435 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.699 8.483 6.867 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.974 9.139 5.168 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.833 7.813 7.911 1.00 0.00 C ATOM 0 H ILE A 820 -8.368 7.011 5.291 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.597 9.653 4.537 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.919 7.232 5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.746 9.552 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.715 8.097 6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.194 8.895 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.608 8.948 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.241 10.192 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.247 8.001 8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.806 6.739 7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.822 8.216 7.858 1.00 0.00 H new ATOM 563 N CYS A 821 -7.056 7.178 2.485 1.00 0.00 N ATOM 564 CA CYS A 821 -6.614 6.824 1.141 1.00 0.00 C ATOM 565 C CYS A 821 -7.469 7.520 0.087 1.00 0.00 C ATOM 566 O CYS A 821 -6.954 8.230 -0.777 1.00 0.00 O ATOM 567 CB CYS A 821 -6.673 5.309 0.944 1.00 0.00 C ATOM 568 SG CYS A 821 -5.353 4.403 1.784 1.00 0.00 S ATOM 0 H CYS A 821 -7.572 6.442 2.967 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.583 7.158 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.635 4.944 1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.627 5.090 -0.123 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.703 3.159 1.927 1.00 0.00 H new ATOM 574 N LYS A 822 -8.779 7.311 0.163 1.00 0.00 N ATOM 575 CA LYS A 822 -9.708 7.917 -0.784 1.00 0.00 C ATOM 576 C LYS A 822 -9.487 9.423 -0.873 1.00 0.00 C ATOM 577 O LYS A 822 -9.709 10.032 -1.920 1.00 0.00 O ATOM 578 CB LYS A 822 -11.152 7.626 -0.370 1.00 0.00 C ATOM 579 CG LYS A 822 -11.526 8.205 0.983 1.00 0.00 C ATOM 580 CD LYS A 822 -13.011 8.048 1.266 1.00 0.00 C ATOM 581 CE LYS A 822 -13.825 9.141 0.592 1.00 0.00 C ATOM 582 NZ LYS A 822 -15.061 9.464 1.357 1.00 0.00 N ATOM 0 H LYS A 822 -9.222 6.726 0.871 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.524 7.482 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.826 8.028 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.304 6.547 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -10.951 7.707 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.258 9.261 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.348 7.073 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.182 8.076 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.215 10.039 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -14.094 8.824 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.588 10.213 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.656 8.614 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -14.804 9.791 2.310 1.00 0.00 H new ATOM 596 N ALA A 823 -9.048 10.019 0.230 1.00 0.00 N ATOM 597 CA ALA A 823 -8.794 11.454 0.274 1.00 0.00 C ATOM 598 C ALA A 823 -7.825 11.874 -0.826 1.00 0.00 C ATOM 599 O ALA A 823 -7.922 12.978 -1.364 1.00 0.00 O ATOM 600 CB ALA A 823 -8.250 11.852 1.639 1.00 0.00 C ATOM 0 H ALA A 823 -8.861 9.531 1.106 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.739 11.971 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -8.065 12.926 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.977 11.596 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.318 11.320 1.828 1.00 0.00 H new ATOM 606 N HIS A 824 -6.892 10.988 -1.157 1.00 0.00 N ATOM 607 CA HIS A 824 -5.905 11.267 -2.194 1.00 0.00 C ATOM 608 C HIS A 824 -6.467 10.954 -3.577 1.00 0.00 C ATOM 609 O HIS A 824 -6.430 11.791 -4.478 1.00 0.00 O ATOM 610 CB HIS A 824 -4.634 10.453 -1.951 1.00 0.00 C ATOM 611 CG HIS A 824 -3.992 10.727 -0.626 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.431 11.943 -0.298 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.825 9.934 0.458 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.945 11.886 0.929 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.172 10.677 1.410 1.00 0.00 N ATOM 0 H HIS A 824 -6.798 10.070 -0.722 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.661 12.328 -2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.874 9.392 -2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.918 10.668 -2.744 1.00 0.00 H new ATOM 0 HD1 HIS A 824 -3.397 12.760 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.146 8.907 0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.447 12.690 1.450 1.00 0.00 H new ATOM 623 N GLY A 825 -6.987 9.740 -3.739 1.00 0.00 N ATOM 624 CA GLY A 825 -7.548 9.338 -5.015 1.00 0.00 C ATOM 625 C GLY A 825 -8.712 8.378 -4.860 1.00 0.00 C ATOM 626 O GLY A 825 -9.455 8.444 -3.881 1.00 0.00 O ATOM 0 H GLY A 825 -7.029 9.029 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.881 10.223 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.771 8.868 -5.618 1.00 0.00 H new ATOM 630 N THR A 826 -8.872 7.483 -5.830 1.00 0.00 N ATOM 631 CA THR A 826 -9.955 6.508 -5.799 1.00 0.00 C ATOM 632 C THR A 826 -9.471 5.167 -5.258 1.00 0.00 C ATOM 633 O THR A 826 -8.540 4.568 -5.797 1.00 0.00 O ATOM 634 CB THR A 826 -10.560 6.296 -7.199 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.140 7.517 -7.672 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.619 5.203 -7.171 1.00 0.00 C ATOM 0 H THR A 826 -8.265 7.413 -6.647 1.00 0.00 H new ATOM 0 HA THR A 826 -10.723 6.908 -5.137 1.00 0.00 H new ATOM 0 HB THR A 826 -9.761 5.989 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.521 7.374 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.032 5.071 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.168 4.268 -6.838 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.416 5.486 -6.484 1.00 0.00 H new ATOM 644 N VAL A 827 -10.110 4.700 -4.190 1.00 0.00 N ATOM 645 CA VAL A 827 -9.746 3.428 -3.578 1.00 0.00 C ATOM 646 C VAL A 827 -10.504 2.271 -4.220 1.00 0.00 C ATOM 647 O VAL A 827 -11.677 2.043 -3.925 1.00 0.00 O ATOM 648 CB VAL A 827 -10.027 3.433 -2.063 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.701 2.078 -1.454 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.237 4.538 -1.379 1.00 0.00 C ATOM 0 H VAL A 827 -10.882 5.183 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.677 3.293 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.088 3.627 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.906 2.101 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.315 1.310 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.648 1.850 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.447 4.527 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.171 4.377 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.526 5.503 -1.796 1.00 0.00 H new ATOM 660 N LYS A 828 -9.826 1.543 -5.101 1.00 0.00 N ATOM 661 CA LYS A 828 -10.433 0.408 -5.785 1.00 0.00 C ATOM 662 C LYS A 828 -10.693 -0.738 -4.813 1.00 0.00 C ATOM 663 O LYS A 828 -11.752 -1.365 -4.847 1.00 0.00 O ATOM 664 CB LYS A 828 -9.530 -0.070 -6.924 1.00 0.00 C ATOM 665 CG LYS A 828 -9.394 0.934 -8.055 1.00 0.00 C ATOM 666 CD LYS A 828 -10.435 0.700 -9.137 1.00 0.00 C ATOM 667 CE LYS A 828 -11.807 1.194 -8.706 1.00 0.00 C ATOM 668 NZ LYS A 828 -12.598 0.123 -8.038 1.00 0.00 N ATOM 0 H LYS A 828 -8.855 1.719 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.388 0.734 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.540 -0.290 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -9.927 -1.003 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.499 1.945 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.396 0.863 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -10.133 1.212 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -10.487 -0.364 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -11.692 2.038 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -12.352 1.558 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -13.047 0.506 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -13.332 -0.224 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -11.968 -0.662 -7.776 1.00 0.00 H new ATOM 682 N ASP A 829 -9.722 -1.005 -3.947 1.00 0.00 N ATOM 683 CA ASP A 829 -9.847 -2.074 -2.963 1.00 0.00 C ATOM 684 C ASP A 829 -8.807 -1.920 -1.858 1.00 0.00 C ATOM 685 O ASP A 829 -7.703 -1.426 -2.094 1.00 0.00 O ATOM 686 CB ASP A 829 -9.695 -3.438 -3.638 1.00 0.00 C ATOM 687 CG ASP A 829 -11.012 -3.976 -4.160 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.856 -4.381 -3.334 1.00 0.00 O ATOM 689 OD2 ASP A 829 -11.199 -3.993 -5.395 1.00 0.00 O ATOM 0 H ASP A 829 -8.839 -0.496 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.839 -2.008 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -8.987 -3.355 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -9.273 -4.147 -2.926 1.00 0.00 H new ATOM 694 N LEU A 830 -9.165 -2.346 -0.652 1.00 0.00 N ATOM 695 CA LEU A 830 -8.263 -2.255 0.491 1.00 0.00 C ATOM 696 C LEU A 830 -8.242 -3.564 1.274 1.00 0.00 C ATOM 697 O LEU A 830 -9.290 -4.130 1.584 1.00 0.00 O ATOM 698 CB LEU A 830 -8.684 -1.106 1.408 1.00 0.00 C ATOM 699 CG LEU A 830 -7.583 -0.510 2.286 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.985 0.869 2.785 1.00 0.00 C ATOM 701 CD2 LEU A 830 -7.275 -1.434 3.456 1.00 0.00 C ATOM 0 H LEU A 830 -10.074 -2.758 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.258 -2.062 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -9.100 -0.309 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.486 -1.460 2.056 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.681 -0.406 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -7.189 1.277 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.154 1.529 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.901 0.791 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.489 -0.994 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -8.173 -1.570 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.942 -2.401 3.078 1.00 0.00 H new ATOM 713 N ARG A 831 -7.042 -4.039 1.591 1.00 0.00 N ATOM 714 CA ARG A 831 -6.885 -5.280 2.339 1.00 0.00 C ATOM 715 C ARG A 831 -5.851 -5.119 3.450 1.00 0.00 C ATOM 716 O ARG A 831 -4.901 -4.346 3.321 1.00 0.00 O ATOM 717 CB ARG A 831 -6.469 -6.416 1.403 1.00 0.00 C ATOM 718 CG ARG A 831 -5.005 -6.366 0.997 1.00 0.00 C ATOM 719 CD ARG A 831 -4.688 -7.396 -0.075 1.00 0.00 C ATOM 720 NE ARG A 831 -4.521 -8.735 0.484 1.00 0.00 N ATOM 721 CZ ARG A 831 -5.532 -9.561 0.729 1.00 0.00 C ATOM 722 NH1 ARG A 831 -6.777 -9.187 0.464 1.00 0.00 N ATOM 723 NH2 ARG A 831 -5.300 -10.764 1.239 1.00 0.00 N ATOM 0 H ARG A 831 -6.164 -3.583 1.341 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.846 -5.525 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.669 -7.370 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -7.087 -6.381 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.763 -5.369 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.378 -6.544 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -5.490 -7.409 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -3.777 -7.106 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 831 -3.576 -9.053 0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -6.959 -8.263 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -7.552 -9.823 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -4.344 -11.056 1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -6.077 -11.397 1.427 1.00 0.00 H new ATOM 737 N LEU A 832 -6.044 -5.852 4.541 1.00 0.00 N ATOM 738 CA LEU A 832 -5.129 -5.790 5.676 1.00 0.00 C ATOM 739 C LEU A 832 -4.311 -7.073 5.786 1.00 0.00 C ATOM 740 O LEU A 832 -4.766 -8.148 5.394 1.00 0.00 O ATOM 741 CB LEU A 832 -5.907 -5.555 6.971 1.00 0.00 C ATOM 742 CG LEU A 832 -6.663 -4.230 7.069 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.604 -4.239 8.264 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.688 -3.065 7.165 1.00 0.00 C ATOM 0 H LEU A 832 -6.825 -6.496 4.664 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.445 -4.957 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.622 -6.368 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -5.209 -5.615 7.806 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.258 -4.106 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.133 -3.288 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.324 -5.049 8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -7.029 -4.386 9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.244 -2.130 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -5.066 -3.183 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -5.055 -3.046 6.278 1.00 0.00 H new ATOM 756 N VAL A 833 -3.101 -6.953 6.324 1.00 0.00 N ATOM 757 CA VAL A 833 -2.220 -8.103 6.489 1.00 0.00 C ATOM 758 C VAL A 833 -2.148 -8.535 7.949 1.00 0.00 C ATOM 759 O VAL A 833 -1.241 -8.139 8.682 1.00 0.00 O ATOM 760 CB VAL A 833 -0.797 -7.798 5.985 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.027 -9.074 5.905 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.849 -7.101 4.634 1.00 0.00 C ATOM 0 H VAL A 833 -2.709 -6.071 6.653 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.642 -8.912 5.894 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.314 -7.127 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.029 -8.838 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.092 -9.527 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.449 -9.772 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.165 -6.893 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -1.350 -7.745 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.399 -6.165 4.728 1.00 0.00 H new ATOM 772 N THR A 834 -3.111 -9.351 8.368 1.00 0.00 N ATOM 773 CA THR A 834 -3.158 -9.837 9.741 1.00 0.00 C ATOM 774 C THR A 834 -2.623 -11.261 9.839 1.00 0.00 C ATOM 775 O THR A 834 -2.200 -11.845 8.842 1.00 0.00 O ATOM 776 CB THR A 834 -4.593 -9.801 10.301 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.476 -10.520 9.432 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.078 -8.367 10.452 1.00 0.00 C ATOM 0 H THR A 834 -3.869 -9.689 7.775 1.00 0.00 H new ATOM 0 HA THR A 834 -2.528 -9.173 10.333 1.00 0.00 H new ATOM 0 HB THR A 834 -4.589 -10.272 11.284 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.400 -10.240 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.093 -8.366 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.420 -7.831 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.068 -7.875 9.479 1.00 0.00 H new ATOM 786 N ASN A 835 -2.644 -11.814 11.047 1.00 0.00 N ATOM 787 CA ASN A 835 -2.160 -13.171 11.275 1.00 0.00 C ATOM 788 C ASN A 835 -3.314 -14.169 11.268 1.00 0.00 C ATOM 789 O ASN A 835 -4.463 -13.803 11.018 1.00 0.00 O ATOM 790 CB ASN A 835 -1.411 -13.251 12.606 1.00 0.00 C ATOM 791 CG ASN A 835 -2.328 -13.583 13.767 1.00 0.00 C ATOM 792 OD1 ASN A 835 -3.532 -13.330 13.714 1.00 0.00 O ATOM 793 ND2 ASN A 835 -1.762 -14.153 14.824 1.00 0.00 N ATOM 0 H ASN A 835 -2.991 -11.344 11.883 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.477 -13.427 10.465 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.630 -14.008 12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.916 -12.299 12.799 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.329 -14.399 15.635 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.760 -14.345 14.825 1.00 0.00 H new ATOM 800 N ARG A 836 -3.001 -15.430 11.544 1.00 0.00 N ATOM 801 CA ARG A 836 -4.011 -16.481 11.569 1.00 0.00 C ATOM 802 C ARG A 836 -5.212 -16.060 12.411 1.00 0.00 C ATOM 803 O ARG A 836 -6.357 -16.356 12.069 1.00 0.00 O ATOM 804 CB ARG A 836 -3.416 -17.777 12.122 1.00 0.00 C ATOM 805 CG ARG A 836 -2.720 -18.625 11.070 1.00 0.00 C ATOM 806 CD ARG A 836 -3.722 -19.326 10.166 1.00 0.00 C ATOM 807 NE ARG A 836 -4.166 -20.599 10.726 1.00 0.00 N ATOM 808 CZ ARG A 836 -3.391 -21.675 10.811 1.00 0.00 C ATOM 809 NH1 ARG A 836 -2.140 -21.631 10.375 1.00 0.00 N ATOM 810 NH2 ARG A 836 -3.868 -22.798 11.334 1.00 0.00 N ATOM 0 H ARG A 836 -2.055 -15.749 11.754 1.00 0.00 H new ATOM 0 HA ARG A 836 -4.347 -16.652 10.546 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.703 -17.533 12.909 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -4.211 -18.364 12.582 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -2.065 -17.995 10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -2.088 -19.367 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -4.584 -18.678 10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -3.271 -19.497 9.189 1.00 0.00 H new ATOM 0 HE ARG A 836 -5.124 -20.666 11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -1.770 -20.770 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -1.547 -22.458 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -4.830 -22.835 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -3.272 -23.624 11.399 1.00 0.00 H new ATOM 824 N ALA A 837 -4.942 -15.369 13.514 1.00 0.00 N ATOM 825 CA ALA A 837 -6.000 -14.906 14.404 1.00 0.00 C ATOM 826 C ALA A 837 -6.421 -13.481 14.062 1.00 0.00 C ATOM 827 O ALA A 837 -6.767 -12.697 14.944 1.00 0.00 O ATOM 828 CB ALA A 837 -5.545 -14.991 15.853 1.00 0.00 C ATOM 0 H ALA A 837 -4.000 -15.118 13.813 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.865 -15.555 14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -6.345 -14.642 16.507 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -5.301 -16.025 16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.663 -14.367 15.994 1.00 0.00 H new ATOM 834 N GLY A 838 -6.389 -13.152 12.774 1.00 0.00 N ATOM 835 CA GLY A 838 -6.769 -11.821 12.338 1.00 0.00 C ATOM 836 C GLY A 838 -6.184 -10.734 13.218 1.00 0.00 C ATOM 837 O GLY A 838 -6.866 -9.770 13.564 1.00 0.00 O ATOM 0 H GLY A 838 -6.107 -13.784 12.025 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.438 -11.670 11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.856 -11.738 12.338 1.00 0.00 H new ATOM 841 N LYS A 839 -4.916 -10.890 13.583 1.00 0.00 N ATOM 842 CA LYS A 839 -4.237 -9.915 14.428 1.00 0.00 C ATOM 843 C LYS A 839 -3.459 -8.911 13.583 1.00 0.00 C ATOM 844 O LYS A 839 -2.886 -9.247 12.546 1.00 0.00 O ATOM 845 CB LYS A 839 -3.290 -10.622 15.399 1.00 0.00 C ATOM 846 CG LYS A 839 -3.996 -11.563 16.360 1.00 0.00 C ATOM 847 CD LYS A 839 -4.463 -10.836 17.610 1.00 0.00 C ATOM 848 CE LYS A 839 -4.513 -11.769 18.811 1.00 0.00 C ATOM 849 NZ LYS A 839 -3.151 -12.111 19.305 1.00 0.00 N ATOM 0 H LYS A 839 -4.337 -11.683 13.306 1.00 0.00 H new ATOM 0 HA LYS A 839 -4.994 -9.375 14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.552 -11.186 14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -2.745 -9.872 15.972 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -4.852 -12.019 15.862 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.322 -12.373 16.639 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -3.791 -10.005 17.821 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.451 -10.410 17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -5.082 -11.299 19.613 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -5.041 -12.683 18.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -3.221 -12.529 20.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -2.709 -12.795 18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -2.571 -11.249 19.348 1.00 0.00 H new ATOM 863 N PRO A 840 -3.434 -7.648 14.036 1.00 0.00 N ATOM 864 CA PRO A 840 -2.727 -6.571 13.338 1.00 0.00 C ATOM 865 C PRO A 840 -1.212 -6.730 13.409 1.00 0.00 C ATOM 866 O PRO A 840 -0.633 -6.773 14.495 1.00 0.00 O ATOM 867 CB PRO A 840 -3.169 -5.312 14.088 1.00 0.00 C ATOM 868 CG PRO A 840 -3.536 -5.792 15.450 1.00 0.00 C ATOM 869 CD PRO A 840 -4.094 -7.176 15.265 1.00 0.00 C ATOM 0 HA PRO A 840 -2.961 -6.553 12.273 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.367 -4.575 14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.016 -4.834 13.595 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.666 -5.807 16.106 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.272 -5.133 15.911 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.866 -7.818 16.116 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.179 -7.161 15.158 1.00 0.00 H new ATOM 877 N LYS A 841 -0.575 -6.815 12.246 1.00 0.00 N ATOM 878 CA LYS A 841 0.873 -6.968 12.176 1.00 0.00 C ATOM 879 C LYS A 841 1.534 -5.674 11.711 1.00 0.00 C ATOM 880 O LYS A 841 2.689 -5.674 11.286 1.00 0.00 O ATOM 881 CB LYS A 841 1.241 -8.111 11.227 1.00 0.00 C ATOM 882 CG LYS A 841 0.694 -9.460 11.659 1.00 0.00 C ATOM 883 CD LYS A 841 0.521 -10.397 10.476 1.00 0.00 C ATOM 884 CE LYS A 841 1.859 -10.939 9.994 1.00 0.00 C ATOM 885 NZ LYS A 841 1.722 -12.291 9.386 1.00 0.00 N ATOM 0 H LYS A 841 -1.039 -6.780 11.339 1.00 0.00 H new ATOM 0 HA LYS A 841 1.237 -7.203 13.176 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.867 -7.879 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.327 -8.175 11.153 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.369 -9.911 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.265 -9.322 12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -0.128 -11.226 10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.026 -9.868 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.287 -10.253 9.262 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.555 -10.986 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.655 -12.626 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.338 -12.952 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.078 -12.242 8.571 1.00 0.00 H new ATOM 899 N GLY A 842 0.794 -4.573 11.797 1.00 0.00 N ATOM 900 CA GLY A 842 1.327 -3.288 11.382 1.00 0.00 C ATOM 901 C GLY A 842 1.545 -3.206 9.885 1.00 0.00 C ATOM 902 O GLY A 842 2.334 -2.389 9.408 1.00 0.00 O ATOM 0 H GLY A 842 -0.164 -4.548 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.642 -2.498 11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.272 -3.108 11.894 1.00 0.00 H new ATOM 906 N LEU A 843 0.847 -4.056 9.139 1.00 0.00 N ATOM 907 CA LEU A 843 0.970 -4.078 7.686 1.00 0.00 C ATOM 908 C LEU A 843 -0.399 -3.969 7.022 1.00 0.00 C ATOM 909 O LEU A 843 -1.361 -4.605 7.451 1.00 0.00 O ATOM 910 CB LEU A 843 1.667 -5.362 7.233 1.00 0.00 C ATOM 911 CG LEU A 843 3.187 -5.395 7.400 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.752 -6.709 6.883 1.00 0.00 C ATOM 913 CD2 LEU A 843 3.828 -4.217 6.681 1.00 0.00 C ATOM 0 H LEU A 843 0.190 -4.739 9.517 1.00 0.00 H new ATOM 0 HA LEU A 843 1.570 -3.220 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.242 -6.198 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 843 1.433 -5.527 6.181 1.00 0.00 H new ATOM 0 HG LEU A 843 3.419 -5.316 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.835 -6.715 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.317 -7.537 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.510 -6.818 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 843 4.910 -4.257 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 843 3.588 -4.265 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 843 3.447 -3.285 7.098 1.00 0.00 H new ATOM 925 N ALA A 844 -0.478 -3.158 5.972 1.00 0.00 N ATOM 926 CA ALA A 844 -1.728 -2.968 5.246 1.00 0.00 C ATOM 927 C ALA A 844 -1.478 -2.839 3.747 1.00 0.00 C ATOM 928 O ALA A 844 -0.383 -2.474 3.320 1.00 0.00 O ATOM 929 CB ALA A 844 -2.461 -1.741 5.769 1.00 0.00 C ATOM 0 H ALA A 844 0.309 -2.622 5.605 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.352 -3.847 5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.392 -1.611 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.681 -1.873 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.835 -0.859 5.636 1.00 0.00 H new ATOM 935 N TYR A 845 -2.500 -3.142 2.954 1.00 0.00 N ATOM 936 CA TYR A 845 -2.390 -3.063 1.502 1.00 0.00 C ATOM 937 C TYR A 845 -3.526 -2.233 0.914 1.00 0.00 C ATOM 938 O TYR A 845 -4.696 -2.442 1.237 1.00 0.00 O ATOM 939 CB TYR A 845 -2.399 -4.466 0.892 1.00 0.00 C ATOM 940 CG TYR A 845 -1.024 -5.080 0.765 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.285 -5.417 1.892 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.463 -5.323 -0.483 1.00 0.00 C ATOM 943 CE1 TYR A 845 0.973 -5.978 1.780 1.00 0.00 C ATOM 944 CE2 TYR A 845 0.793 -5.885 -0.605 1.00 0.00 C ATOM 945 CZ TYR A 845 1.507 -6.210 0.530 1.00 0.00 C ATOM 946 OH TYR A 845 2.759 -6.770 0.414 1.00 0.00 O ATOM 0 H TYR A 845 -3.414 -3.444 3.292 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.446 -2.575 1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -3.023 -5.116 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.860 -4.421 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.701 -5.238 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -1.019 -5.068 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.535 -6.233 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.213 -6.069 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 845 2.987 -6.868 -0.534 1.00 0.00 H new ATOM 956 N VAL A 846 -3.174 -1.288 0.048 1.00 0.00 N ATOM 957 CA VAL A 846 -4.163 -0.426 -0.588 1.00 0.00 C ATOM 958 C VAL A 846 -4.165 -0.614 -2.100 1.00 0.00 C ATOM 959 O VAL A 846 -3.130 -0.904 -2.701 1.00 0.00 O ATOM 960 CB VAL A 846 -3.903 1.058 -0.267 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.991 1.933 -0.870 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.810 1.269 1.237 1.00 0.00 C ATOM 0 H VAL A 846 -2.211 -1.100 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 846 -5.136 -0.712 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.950 1.347 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.791 2.978 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -5.005 1.803 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.958 1.646 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.626 2.323 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.746 0.964 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.992 0.671 1.638 1.00 0.00 H new ATOM 972 N GLU A 847 -5.334 -0.448 -2.711 1.00 0.00 N ATOM 973 CA GLU A 847 -5.470 -0.601 -4.154 1.00 0.00 C ATOM 974 C GLU A 847 -6.157 0.616 -4.768 1.00 0.00 C ATOM 975 O GLU A 847 -7.294 0.940 -4.423 1.00 0.00 O ATOM 976 CB GLU A 847 -6.263 -1.868 -4.483 1.00 0.00 C ATOM 977 CG GLU A 847 -6.070 -2.353 -5.910 1.00 0.00 C ATOM 978 CD GLU A 847 -7.069 -3.425 -6.302 1.00 0.00 C ATOM 979 OE1 GLU A 847 -6.821 -4.608 -5.990 1.00 0.00 O ATOM 980 OE2 GLU A 847 -8.098 -3.080 -6.920 1.00 0.00 O ATOM 0 H GLU A 847 -6.200 -0.208 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.470 -0.686 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.967 -2.661 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.323 -1.678 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -6.163 -1.508 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -5.059 -2.745 -6.023 1.00 0.00 H new ATOM 987 N TYR A 848 -5.459 1.286 -5.678 1.00 0.00 N ATOM 988 CA TYR A 848 -6.000 2.468 -6.338 1.00 0.00 C ATOM 989 C TYR A 848 -6.393 2.157 -7.778 1.00 0.00 C ATOM 990 O TYR A 848 -6.181 1.046 -8.264 1.00 0.00 O ATOM 991 CB TYR A 848 -4.977 3.605 -6.310 1.00 0.00 C ATOM 992 CG TYR A 848 -5.032 4.439 -5.050 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.565 3.938 -3.841 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.552 5.728 -5.068 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.614 4.696 -2.687 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.603 6.493 -3.920 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.134 5.973 -2.732 1.00 0.00 C ATOM 998 OH TYR A 848 -5.184 6.732 -1.585 1.00 0.00 O ATOM 0 H TYR A 848 -4.517 1.031 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.894 2.778 -5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -3.977 3.185 -6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.142 4.252 -7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.157 2.939 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -5.922 6.138 -5.996 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -4.247 4.291 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.008 7.494 -3.952 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.782 7.496 -1.724 1.00 0.00 H new ATOM 1008 N GLU A 849 -6.965 3.147 -8.456 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.387 2.979 -9.842 1.00 0.00 C ATOM 1010 C GLU A 849 -6.271 3.376 -10.803 1.00 0.00 C ATOM 1011 O GLU A 849 -5.926 2.626 -11.715 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.638 3.815 -10.122 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.058 3.812 -11.582 1.00 0.00 C ATOM 1014 CD GLU A 849 -9.772 2.535 -11.981 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -9.089 1.507 -12.167 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.014 2.565 -12.108 1.00 0.00 O ATOM 0 H GLU A 849 -7.147 4.073 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.620 1.926 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.461 3.437 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.456 4.843 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.712 4.663 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -8.177 3.943 -12.210 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.710 4.563 -10.591 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.633 5.061 -11.439 1.00 0.00 C ATOM 1025 C ASN A 850 -3.303 5.051 -10.692 1.00 0.00 C ATOM 1026 O ASN A 850 -3.252 4.743 -9.502 1.00 0.00 O ATOM 1027 CB ASN A 850 -4.950 6.479 -11.920 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.293 6.567 -12.619 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.585 5.788 -13.526 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.118 7.518 -12.197 1.00 0.00 N ATOM 0 H ASN A 850 -5.983 5.197 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.549 4.401 -12.302 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -4.942 7.159 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.167 6.812 -12.601 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.036 7.625 -12.628 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.834 8.142 -11.442 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.230 5.390 -11.400 1.00 0.00 N ATOM 1038 CA GLU A 851 -0.900 5.418 -10.803 1.00 0.00 C ATOM 1039 C GLU A 851 -0.625 6.771 -10.153 1.00 0.00 C ATOM 1040 O GLU A 851 0.005 6.848 -9.098 1.00 0.00 O ATOM 1041 CB GLU A 851 0.165 5.123 -11.862 1.00 0.00 C ATOM 1042 CG GLU A 851 0.089 6.038 -13.073 1.00 0.00 C ATOM 1043 CD GLU A 851 1.214 5.794 -14.060 1.00 0.00 C ATOM 1044 OE1 GLU A 851 1.434 4.621 -14.428 1.00 0.00 O ATOM 1045 OE2 GLU A 851 1.873 6.774 -14.464 1.00 0.00 O ATOM 0 H GLU A 851 -2.256 5.649 -12.386 1.00 0.00 H new ATOM 0 HA GLU A 851 -0.859 4.648 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 851 1.152 5.216 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.061 4.089 -12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -0.868 5.892 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.120 7.076 -12.742 1.00 0.00 H new ATOM 1052 N SER A 852 -1.101 7.836 -10.791 1.00 0.00 N ATOM 1053 CA SER A 852 -0.903 9.186 -10.277 1.00 0.00 C ATOM 1054 C SER A 852 -1.456 9.315 -8.861 1.00 0.00 C ATOM 1055 O SER A 852 -0.780 9.815 -7.963 1.00 0.00 O ATOM 1056 CB SER A 852 -1.577 10.207 -11.195 1.00 0.00 C ATOM 1057 OG SER A 852 -1.328 11.531 -10.756 1.00 0.00 O ATOM 0 H SER A 852 -1.626 7.790 -11.664 1.00 0.00 H new ATOM 0 HA SER A 852 0.168 9.384 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.209 10.083 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.651 10.025 -11.220 1.00 0.00 H new ATOM 0 HG SER A 852 -1.768 12.164 -11.360 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.691 8.861 -8.671 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.336 8.927 -7.365 1.00 0.00 C ATOM 1065 C GLN A 853 -2.491 8.228 -6.305 1.00 0.00 C ATOM 1066 O GLN A 853 -2.146 8.819 -5.283 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.726 8.292 -7.427 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.741 9.124 -8.193 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.025 8.367 -8.473 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.135 7.177 -8.174 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -8.004 9.054 -9.049 1.00 0.00 N ATOM 0 H GLN A 853 -3.264 8.444 -9.404 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.436 9.977 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.647 7.310 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -5.090 8.134 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.971 10.024 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.302 9.448 -9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.869 10.038 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.891 8.597 -9.261 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.162 6.965 -6.556 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.356 6.185 -5.624 1.00 0.00 C ATOM 1082 C ALA A 854 -0.077 6.927 -5.251 1.00 0.00 C ATOM 1083 O ALA A 854 0.230 7.099 -4.072 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.025 4.826 -6.222 1.00 0.00 C ATOM 0 H ALA A 854 -2.441 6.460 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.938 6.037 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.423 4.254 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.948 4.286 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.466 4.962 -7.148 1.00 0.00 H new ATOM 1090 N SER A 855 0.665 7.365 -6.264 1.00 0.00 N ATOM 1091 CA SER A 855 1.913 8.084 -6.041 1.00 0.00 C ATOM 1092 C SER A 855 1.723 9.198 -5.016 1.00 0.00 C ATOM 1093 O SER A 855 2.366 9.206 -3.967 1.00 0.00 O ATOM 1094 CB SER A 855 2.430 8.669 -7.357 1.00 0.00 C ATOM 1095 OG SER A 855 3.716 9.241 -7.190 1.00 0.00 O ATOM 0 H SER A 855 0.423 7.234 -7.246 1.00 0.00 H new ATOM 0 HA SER A 855 2.646 7.378 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.472 7.887 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.736 9.427 -7.719 1.00 0.00 H new ATOM 0 HG SER A 855 3.906 9.345 -6.234 1.00 0.00 H new ATOM 1101 N GLN A 856 0.836 10.137 -5.329 1.00 0.00 N ATOM 1102 CA GLN A 856 0.561 11.256 -4.436 1.00 0.00 C ATOM 1103 C GLN A 856 0.387 10.776 -2.999 1.00 0.00 C ATOM 1104 O GLN A 856 1.072 11.243 -2.091 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.692 12.005 -4.893 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.769 13.433 -4.379 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.606 14.330 -5.270 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -2.220 13.869 -6.233 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -1.636 15.619 -4.953 1.00 0.00 N ATOM 0 H GLN A 856 0.296 10.145 -6.194 1.00 0.00 H new ATOM 0 HA GLN A 856 1.413 11.934 -4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.720 12.018 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.574 11.459 -4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.190 13.431 -3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.238 13.842 -4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 856 -1.112 15.958 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -2.183 16.270 -5.516 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.536 9.840 -2.802 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.800 9.296 -1.476 1.00 0.00 C ATOM 1120 C ALA A 857 0.456 8.668 -0.880 1.00 0.00 C ATOM 1121 O ALA A 857 0.636 8.652 0.338 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.924 8.273 -1.539 1.00 0.00 C ATOM 0 H ALA A 857 -1.113 9.443 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.107 10.117 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.110 7.875 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.829 8.750 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.639 7.460 -2.207 1.00 0.00 H new ATOM 1128 N VAL A 858 1.322 8.152 -1.746 1.00 0.00 N ATOM 1129 CA VAL A 858 2.561 7.523 -1.306 1.00 0.00 C ATOM 1130 C VAL A 858 3.575 8.567 -0.850 1.00 0.00 C ATOM 1131 O VAL A 858 4.306 8.356 0.117 1.00 0.00 O ATOM 1132 CB VAL A 858 3.187 6.670 -2.425 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.592 6.232 -2.041 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.309 5.466 -2.731 1.00 0.00 C ATOM 0 H VAL A 858 1.188 8.157 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 858 2.306 6.876 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 858 3.256 7.279 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.018 5.630 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.215 7.111 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.551 5.640 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 858 2.766 4.874 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.206 4.854 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.325 5.806 -3.054 1.00 0.00 H new ATOM 1144 N MET A 859 3.613 9.694 -1.554 1.00 0.00 N ATOM 1145 CA MET A 859 4.536 10.772 -1.221 1.00 0.00 C ATOM 1146 C MET A 859 4.132 11.450 0.085 1.00 0.00 C ATOM 1147 O MET A 859 4.980 11.940 0.831 1.00 0.00 O ATOM 1148 CB MET A 859 4.581 11.802 -2.351 1.00 0.00 C ATOM 1149 CG MET A 859 5.607 11.481 -3.425 1.00 0.00 C ATOM 1150 SD MET A 859 5.062 10.170 -4.537 1.00 0.00 S ATOM 1151 CE MET A 859 6.244 10.345 -5.871 1.00 0.00 C ATOM 0 H MET A 859 3.015 9.884 -2.358 1.00 0.00 H new ATOM 0 HA MET A 859 5.529 10.340 -1.094 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.595 11.868 -2.810 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.803 12.782 -1.929 1.00 0.00 H new ATOM 0 HG2 MET A 859 5.814 12.381 -4.004 1.00 0.00 H new ATOM 0 HG3 MET A 859 6.543 11.184 -2.951 1.00 0.00 H new ATOM 0 HE1 MET A 859 6.178 9.480 -6.531 1.00 0.00 H new ATOM 0 HE2 MET A 859 6.023 11.251 -6.436 1.00 0.00 H new ATOM 0 HE3 MET A 859 7.251 10.411 -5.459 1.00 0.00 H new ATOM 1161 N LYS A 860 2.831 11.475 0.355 1.00 0.00 N ATOM 1162 CA LYS A 860 2.314 12.092 1.571 1.00 0.00 C ATOM 1163 C LYS A 860 2.347 11.108 2.736 1.00 0.00 C ATOM 1164 O LYS A 860 3.009 11.349 3.745 1.00 0.00 O ATOM 1165 CB LYS A 860 0.883 12.586 1.347 1.00 0.00 C ATOM 1166 CG LYS A 860 0.801 13.858 0.521 1.00 0.00 C ATOM 1167 CD LYS A 860 1.030 15.094 1.375 1.00 0.00 C ATOM 1168 CE LYS A 860 1.010 16.362 0.536 1.00 0.00 C ATOM 1169 NZ LYS A 860 2.349 16.668 -0.040 1.00 0.00 N ATOM 0 H LYS A 860 2.115 11.075 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 860 2.951 12.941 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.311 11.803 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.412 12.760 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.543 13.823 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.177 13.921 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.260 15.153 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.988 15.011 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 860 0.284 16.253 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.679 17.199 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 2.293 17.539 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 3.037 16.798 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 2.654 15.881 -0.647 1.00 0.00 H new ATOM 1183 N MET A 861 1.629 9.999 2.589 1.00 0.00 N ATOM 1184 CA MET A 861 1.579 8.978 3.629 1.00 0.00 C ATOM 1185 C MET A 861 2.984 8.544 4.034 1.00 0.00 C ATOM 1186 O MET A 861 3.279 8.388 5.219 1.00 0.00 O ATOM 1187 CB MET A 861 0.778 7.767 3.147 1.00 0.00 C ATOM 1188 CG MET A 861 -0.708 8.045 2.989 1.00 0.00 C ATOM 1189 SD MET A 861 -1.701 6.540 2.994 1.00 0.00 S ATOM 1190 CE MET A 861 -3.320 7.201 2.608 1.00 0.00 C ATOM 0 H MET A 861 1.074 9.785 1.760 1.00 0.00 H new ATOM 0 HA MET A 861 1.085 9.408 4.501 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.180 7.433 2.191 1.00 0.00 H new ATOM 0 HB3 MET A 861 0.913 6.948 3.853 1.00 0.00 H new ATOM 0 HG2 MET A 861 -1.040 8.697 3.797 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.876 8.583 2.056 1.00 0.00 H new ATOM 0 HE1 MET A 861 -4.054 6.796 3.305 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.299 8.287 2.693 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.594 6.922 1.590 1.00 0.00 H new ATOM 1200 N ASP A 862 3.847 8.351 3.042 1.00 0.00 N ATOM 1201 CA ASP A 862 5.222 7.936 3.295 1.00 0.00 C ATOM 1202 C ASP A 862 5.844 8.769 4.412 1.00 0.00 C ATOM 1203 O ASP A 862 6.223 9.920 4.205 1.00 0.00 O ATOM 1204 CB ASP A 862 6.059 8.064 2.021 1.00 0.00 C ATOM 1205 CG ASP A 862 7.548 7.993 2.296 1.00 0.00 C ATOM 1206 OD1 ASP A 862 7.933 7.405 3.329 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.328 8.523 1.478 1.00 0.00 O ATOM 0 H ASP A 862 3.619 8.475 2.056 1.00 0.00 H new ATOM 0 HA ASP A 862 5.208 6.892 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 862 5.783 7.270 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.828 9.010 1.532 1.00 0.00 H new ATOM 1212 N GLY A 863 5.945 8.177 5.598 1.00 0.00 N ATOM 1213 CA GLY A 863 6.521 8.878 6.731 1.00 0.00 C ATOM 1214 C GLY A 863 5.533 9.818 7.393 1.00 0.00 C ATOM 1215 O GLY A 863 5.889 10.932 7.778 1.00 0.00 O ATOM 0 H GLY A 863 5.638 7.224 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.873 8.151 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.391 9.445 6.400 1.00 0.00 H new ATOM 1219 N MET A 864 4.289 9.370 7.525 1.00 0.00 N ATOM 1220 CA MET A 864 3.247 10.181 8.145 1.00 0.00 C ATOM 1221 C MET A 864 2.964 9.707 9.567 1.00 0.00 C ATOM 1222 O MET A 864 3.009 8.511 9.855 1.00 0.00 O ATOM 1223 CB MET A 864 1.965 10.125 7.311 1.00 0.00 C ATOM 1224 CG MET A 864 1.202 8.818 7.455 1.00 0.00 C ATOM 1225 SD MET A 864 -0.404 8.857 6.637 1.00 0.00 S ATOM 1226 CE MET A 864 -1.400 9.667 7.887 1.00 0.00 C ATOM 0 H MET A 864 3.978 8.451 7.211 1.00 0.00 H new ATOM 0 HA MET A 864 3.599 11.212 8.188 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.315 10.950 7.603 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.217 10.275 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.798 8.006 7.038 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.061 8.599 8.513 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.233 9.021 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.788 9.866 8.767 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.785 10.607 7.492 1.00 0.00 H new ATOM 1236 N THR A 865 2.671 10.653 10.454 1.00 0.00 N ATOM 1237 CA THR A 865 2.383 10.333 11.846 1.00 0.00 C ATOM 1238 C THR A 865 0.920 9.946 12.029 1.00 0.00 C ATOM 1239 O THR A 865 0.018 10.684 11.630 1.00 0.00 O ATOM 1240 CB THR A 865 2.708 11.518 12.774 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.980 12.077 12.428 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.721 11.077 14.230 1.00 0.00 C ATOM 0 H THR A 865 2.627 11.648 10.232 1.00 0.00 H new ATOM 0 HA THR A 865 3.017 9.487 12.114 1.00 0.00 H new ATOM 0 HB THR A 865 1.933 12.274 12.647 1.00 0.00 H new ATOM 0 HG1 THR A 865 4.178 12.831 13.022 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.953 11.931 14.867 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.742 10.679 14.498 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.477 10.305 14.369 1.00 0.00 H new ATOM 1250 N ILE A 866 0.691 8.786 12.635 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.664 8.302 12.872 1.00 0.00 C ATOM 1252 C ILE A 866 -0.814 7.760 14.289 1.00 0.00 C ATOM 1253 O ILE A 866 -0.137 6.807 14.676 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.052 7.200 11.869 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.331 7.807 10.493 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.264 6.430 12.371 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.341 6.789 9.374 1.00 0.00 C ATOM 0 H ILE A 866 1.426 8.164 12.971 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.331 9.154 12.739 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.218 6.505 11.775 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.294 8.317 10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.576 8.563 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.526 5.655 11.651 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.031 5.970 13.331 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.105 7.113 12.491 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.545 7.290 8.428 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.370 6.296 9.322 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.115 6.046 9.565 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.706 8.373 15.059 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.949 7.951 16.434 1.00 0.00 C ATOM 1271 C LYS A 867 -0.638 7.815 17.201 1.00 0.00 C ATOM 1272 O LYS A 867 -0.425 6.834 17.913 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.706 6.621 16.455 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.190 6.761 16.163 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.981 5.591 16.723 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.467 5.730 16.428 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.222 4.498 16.789 1.00 0.00 N ATOM 0 H LYS A 867 -2.273 9.164 14.755 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.556 8.715 16.920 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.262 5.948 15.721 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.579 6.156 17.432 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.560 7.691 16.594 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.345 6.824 15.086 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -4.609 4.661 16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.827 5.529 17.800 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.869 6.578 16.982 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.608 5.945 15.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.230 4.633 16.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -6.855 3.693 16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.108 4.306 17.805 1.00 0.00 H new ATOM 1291 N GLU A 868 0.236 8.805 17.051 1.00 0.00 N ATOM 1292 CA GLU A 868 1.526 8.793 17.731 1.00 0.00 C ATOM 1293 C GLU A 868 2.383 7.624 17.253 1.00 0.00 C ATOM 1294 O GLU A 868 2.933 6.874 18.059 1.00 0.00 O ATOM 1295 CB GLU A 868 1.328 8.709 19.246 1.00 0.00 C ATOM 1296 CG GLU A 868 2.437 9.376 20.042 1.00 0.00 C ATOM 1297 CD GLU A 868 2.137 9.430 21.528 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.493 8.468 22.240 1.00 0.00 O ATOM 1299 OE2 GLU A 868 1.547 10.434 21.978 1.00 0.00 O ATOM 0 H GLU A 868 0.075 9.625 16.465 1.00 0.00 H new ATOM 0 HA GLU A 868 2.043 9.722 17.490 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.376 9.172 19.506 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.262 7.661 19.538 1.00 0.00 H new ATOM 0 HG2 GLU A 868 3.370 8.835 19.883 1.00 0.00 H new ATOM 0 HG3 GLU A 868 2.589 10.389 19.669 1.00 0.00 H new ATOM 1306 N ASN A 869 2.490 7.476 15.937 1.00 0.00 N ATOM 1307 CA ASN A 869 3.278 6.398 15.351 1.00 0.00 C ATOM 1308 C ASN A 869 3.602 6.693 13.889 1.00 0.00 C ATOM 1309 O ASN A 869 2.713 6.710 13.037 1.00 0.00 O ATOM 1310 CB ASN A 869 2.526 5.070 15.460 1.00 0.00 C ATOM 1311 CG ASN A 869 3.434 3.873 15.260 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.153 3.784 14.265 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.405 2.943 16.208 1.00 0.00 N ATOM 0 H ASN A 869 2.041 8.089 15.256 1.00 0.00 H new ATOM 0 HA ASN A 869 4.214 6.324 15.905 1.00 0.00 H new ATOM 0 HB2 ASN A 869 2.052 5.003 16.439 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.728 5.045 14.718 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.994 2.114 16.128 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.794 3.058 17.016 1.00 0.00 H new ATOM 1320 N ILE A 870 4.879 6.925 13.607 1.00 0.00 N ATOM 1321 CA ILE A 870 5.320 7.218 12.249 1.00 0.00 C ATOM 1322 C ILE A 870 5.174 5.996 11.348 1.00 0.00 C ATOM 1323 O ILE A 870 5.840 4.980 11.551 1.00 0.00 O ATOM 1324 CB ILE A 870 6.786 7.689 12.222 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.878 9.163 12.621 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.388 7.469 10.842 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.760 9.395 14.111 1.00 0.00 C ATOM 0 H ILE A 870 5.627 6.916 14.301 1.00 0.00 H new ATOM 0 HA ILE A 870 4.682 8.020 11.877 1.00 0.00 H new ATOM 0 HB ILE A 870 7.355 7.101 12.942 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.829 9.566 12.273 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.091 9.719 12.112 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.424 7.807 10.839 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.351 6.408 10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.820 8.034 10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.834 10.462 14.320 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.798 9.022 14.462 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.563 8.868 14.626 1.00 0.00 H new ATOM 1339 N ILE A 871 4.301 6.103 10.352 1.00 0.00 N ATOM 1340 CA ILE A 871 4.071 5.007 9.419 1.00 0.00 C ATOM 1341 C ILE A 871 4.735 5.282 8.074 1.00 0.00 C ATOM 1342 O ILE A 871 4.712 6.407 7.575 1.00 0.00 O ATOM 1343 CB ILE A 871 2.566 4.766 9.195 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.000 5.803 8.222 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.819 4.811 10.520 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.289 5.491 6.771 1.00 0.00 C ATOM 0 H ILE A 871 3.742 6.937 10.171 1.00 0.00 H new ATOM 0 HA ILE A 871 4.512 4.115 9.864 1.00 0.00 H new ATOM 0 HB ILE A 871 2.433 3.776 8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 871 0.921 5.871 8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.415 6.781 8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.757 4.639 10.345 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.207 4.038 11.183 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.957 5.788 10.982 1.00 0.00 H new ATOM 0 HD11 ILE A 871 1.858 6.268 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.367 5.452 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 871 1.850 4.528 6.512 1.00 0.00 H new ATOM 1358 N LYS A 872 5.327 4.245 7.490 1.00 0.00 N ATOM 1359 CA LYS A 872 5.996 4.372 6.201 1.00 0.00 C ATOM 1360 C LYS A 872 5.160 3.746 5.090 1.00 0.00 C ATOM 1361 O LYS A 872 4.333 2.868 5.340 1.00 0.00 O ATOM 1362 CB LYS A 872 7.375 3.710 6.252 1.00 0.00 C ATOM 1363 CG LYS A 872 8.371 4.303 5.271 1.00 0.00 C ATOM 1364 CD LYS A 872 9.719 3.606 5.355 1.00 0.00 C ATOM 1365 CE LYS A 872 9.680 2.236 4.694 1.00 0.00 C ATOM 1366 NZ LYS A 872 9.587 2.338 3.212 1.00 0.00 N ATOM 0 H LYS A 872 5.357 3.307 7.890 1.00 0.00 H new ATOM 0 HA LYS A 872 6.117 5.434 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 872 7.775 3.800 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.265 2.645 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.979 4.218 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.497 5.366 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.479 4.222 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.010 3.499 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.576 1.677 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 872 8.827 1.674 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 9.783 1.409 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 8.630 2.646 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 10.283 3.030 2.867 1.00 0.00 H new ATOM 1380 N VAL A 873 5.381 4.201 3.861 1.00 0.00 N ATOM 1381 CA VAL A 873 4.650 3.683 2.710 1.00 0.00 C ATOM 1382 C VAL A 873 5.601 3.294 1.584 1.00 0.00 C ATOM 1383 O VAL A 873 6.569 4.000 1.304 1.00 0.00 O ATOM 1384 CB VAL A 873 3.637 4.714 2.179 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.781 4.105 1.079 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.768 5.239 3.312 1.00 0.00 C ATOM 0 H VAL A 873 6.061 4.928 3.636 1.00 0.00 H new ATOM 0 HA VAL A 873 4.112 2.797 3.049 1.00 0.00 H new ATOM 0 HB VAL A 873 4.188 5.553 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.071 4.849 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.420 3.782 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.237 3.247 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.058 5.967 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.225 4.411 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.398 5.716 4.063 1.00 0.00 H new ATOM 1396 N ALA A 874 5.317 2.166 0.941 1.00 0.00 N ATOM 1397 CA ALA A 874 6.146 1.685 -0.158 1.00 0.00 C ATOM 1398 C ALA A 874 5.288 1.134 -1.292 1.00 0.00 C ATOM 1399 O ALA A 874 4.333 0.393 -1.057 1.00 0.00 O ATOM 1400 CB ALA A 874 7.113 0.621 0.339 1.00 0.00 C ATOM 0 H ALA A 874 4.520 1.569 1.162 1.00 0.00 H new ATOM 0 HA ALA A 874 6.717 2.528 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 874 7.726 0.270 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 874 7.755 1.045 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.551 -0.216 0.754 1.00 0.00 H new ATOM 1406 N ILE A 875 5.634 1.502 -2.521 1.00 0.00 N ATOM 1407 CA ILE A 875 4.895 1.044 -3.691 1.00 0.00 C ATOM 1408 C ILE A 875 4.852 -0.479 -3.753 1.00 0.00 C ATOM 1409 O ILE A 875 5.890 -1.137 -3.832 1.00 0.00 O ATOM 1410 CB ILE A 875 5.515 1.582 -4.994 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.564 3.111 -4.968 1.00 0.00 C ATOM 1412 CG2 ILE A 875 4.725 1.092 -6.198 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.198 3.760 -5.024 1.00 0.00 C ATOM 0 H ILE A 875 6.421 2.116 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 875 3.880 1.430 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 875 6.535 1.206 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.074 3.435 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.159 3.462 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.175 1.481 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 875 4.737 0.002 -6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 875 3.695 1.441 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.309 4.844 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.693 3.466 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.607 3.438 -4.167 1.00 0.00 H new ATOM 1425 N SER A 876 3.645 -1.034 -3.718 1.00 0.00 N ATOM 1426 CA SER A 876 3.466 -2.480 -3.768 1.00 0.00 C ATOM 1427 C SER A 876 3.988 -3.047 -5.085 1.00 0.00 C ATOM 1428 O SER A 876 3.370 -2.876 -6.135 1.00 0.00 O ATOM 1429 CB SER A 876 1.989 -2.839 -3.595 1.00 0.00 C ATOM 1430 OG SER A 876 1.642 -2.926 -2.224 1.00 0.00 O ATOM 0 H SER A 876 2.776 -0.504 -3.655 1.00 0.00 H new ATOM 0 HA SER A 876 4.038 -2.920 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.369 -2.087 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.783 -3.790 -4.086 1.00 0.00 H new ATOM 0 HG SER A 876 1.442 -3.858 -1.996 1.00 0.00 H new ATOM 1436 N ASN A 877 5.131 -3.722 -5.020 1.00 0.00 N ATOM 1437 CA ASN A 877 5.738 -4.314 -6.207 1.00 0.00 C ATOM 1438 C ASN A 877 5.642 -5.836 -6.165 1.00 0.00 C ATOM 1439 O ASN A 877 6.588 -6.538 -6.524 1.00 0.00 O ATOM 1440 CB ASN A 877 7.202 -3.887 -6.323 1.00 0.00 C ATOM 1441 CG ASN A 877 8.055 -4.433 -5.195 1.00 0.00 C ATOM 1442 OD1 ASN A 877 8.800 -5.396 -5.375 1.00 0.00 O ATOM 1443 ND2 ASN A 877 7.950 -3.818 -4.023 1.00 0.00 N ATOM 0 H ASN A 877 5.656 -3.873 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 877 5.192 -3.957 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 877 7.603 -4.230 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 877 7.261 -2.799 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 877 8.500 -4.140 -3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 877 7.319 -3.023 -3.919 1.00 0.00 H new ATOM 1450 N SER A 878 4.494 -6.340 -5.724 1.00 0.00 N ATOM 1451 CA SER A 878 4.275 -7.779 -5.632 1.00 0.00 C ATOM 1452 C SER A 878 5.515 -8.483 -5.089 1.00 0.00 C ATOM 1453 O SER A 878 5.886 -9.559 -5.556 1.00 0.00 O ATOM 1454 CB SER A 878 3.910 -8.349 -7.003 1.00 0.00 C ATOM 1455 OG SER A 878 5.033 -8.358 -7.868 1.00 0.00 O ATOM 0 H SER A 878 3.701 -5.773 -5.425 1.00 0.00 H new ATOM 0 HA SER A 878 3.449 -7.953 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 878 3.527 -9.363 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 878 3.111 -7.755 -7.446 1.00 0.00 H new ATOM 0 HG SER A 878 5.732 -7.776 -7.503 1.00 0.00 H new ATOM 1461 N GLY A 879 6.153 -7.866 -4.099 1.00 0.00 N ATOM 1462 CA GLY A 879 7.345 -8.446 -3.509 1.00 0.00 C ATOM 1463 C GLY A 879 7.158 -8.791 -2.044 1.00 0.00 C ATOM 1464 O GLY A 879 6.336 -8.197 -1.345 1.00 0.00 O ATOM 0 H GLY A 879 5.865 -6.975 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 879 7.618 -9.347 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 879 8.175 -7.746 -3.611 1.00 0.00 H new ATOM 1468 N PRO A 880 7.932 -9.773 -1.560 1.00 0.00 N ATOM 1469 CA PRO A 880 7.865 -10.218 -0.165 1.00 0.00 C ATOM 1470 C PRO A 880 8.412 -9.175 0.804 1.00 0.00 C ATOM 1471 O PRO A 880 8.901 -8.124 0.388 1.00 0.00 O ATOM 1472 CB PRO A 880 8.742 -11.473 -0.151 1.00 0.00 C ATOM 1473 CG PRO A 880 9.690 -11.285 -1.283 1.00 0.00 C ATOM 1474 CD PRO A 880 8.933 -10.523 -2.336 1.00 0.00 C ATOM 0 HA PRO A 880 6.839 -10.394 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 880 9.272 -11.575 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 880 8.144 -12.375 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 880 10.575 -10.734 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 880 10.034 -12.245 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 880 9.587 -9.857 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 880 8.464 -11.192 -3.057 1.00 0.00 H new ATOM 1482 N SER A 881 8.328 -9.472 2.096 1.00 0.00 N ATOM 1483 CA SER A 881 8.812 -8.558 3.124 1.00 0.00 C ATOM 1484 C SER A 881 10.331 -8.628 3.241 1.00 0.00 C ATOM 1485 O SER A 881 10.932 -9.685 3.048 1.00 0.00 O ATOM 1486 CB SER A 881 8.170 -8.888 4.473 1.00 0.00 C ATOM 1487 OG SER A 881 8.698 -10.088 5.010 1.00 0.00 O ATOM 0 H SER A 881 7.929 -10.339 2.456 1.00 0.00 H new ATOM 0 HA SER A 881 8.533 -7.545 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 881 8.341 -8.068 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 881 7.091 -8.984 4.352 1.00 0.00 H new ATOM 0 HG SER A 881 8.273 -10.275 5.873 1.00 0.00 H new ATOM 1493 N SER A 882 10.947 -7.494 3.559 1.00 0.00 N ATOM 1494 CA SER A 882 12.397 -7.423 3.699 1.00 0.00 C ATOM 1495 C SER A 882 12.811 -7.598 5.157 1.00 0.00 C ATOM 1496 O SER A 882 12.280 -6.938 6.048 1.00 0.00 O ATOM 1497 CB SER A 882 12.917 -6.087 3.165 1.00 0.00 C ATOM 1498 OG SER A 882 13.112 -6.139 1.763 1.00 0.00 O ATOM 0 H SER A 882 10.464 -6.611 3.725 1.00 0.00 H new ATOM 0 HA SER A 882 12.834 -8.234 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 882 12.209 -5.295 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 882 13.857 -5.836 3.657 1.00 0.00 H new ATOM 0 HG SER A 882 13.443 -5.273 1.446 1.00 0.00 H new ATOM 1504 N GLY A 883 13.766 -8.494 5.391 1.00 0.00 N ATOM 1505 CA GLY A 883 14.236 -8.741 6.741 1.00 0.00 C ATOM 1506 C GLY A 883 13.329 -9.682 7.508 1.00 0.00 C ATOM 1507 O GLY A 883 13.187 -9.563 8.725 1.00 0.00 O ATOM 0 H GLY A 883 14.222 -9.053 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 883 15.241 -9.162 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 883 14.308 -7.794 7.276 1.00 0.00 H new TER 1511 GLY A 883