USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=28 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 73:sc= -1.94! USER MOD Set 1.2: A 861 MET CE :methyl -173:sc= -0.913 (180deg=-0.933) 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 12:sc= 0.924 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.9!) USER MOD Single : A 802 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= -0.198 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 814 LYS NZ :NH3+ 147:sc= -0.0126 (180deg=-1.11) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD Single : A 826 THR OG1 : rot 173:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ -108:sc= -1.18 (180deg=-3.52!) USER MOD Single : A 834 THR OG1 : rot -160:sc= -0.504 USER MOD Single : A 835 ASN : amide:sc= -3.44! C(o=-3.4!,f=-16!) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -128:sc= 0.33 USER MOD Single : A 850 ASN : amide:sc= -0.0465 K(o=-0.047,f=-0.93) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 853 GLN : amide:sc= 0.229 K(o=0.23,f=-5.7!) USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.4!) 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 -132:sc= -2.19 (180deg=-8.4!) 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= -0.0634 K(o=-0.063,f=-1.8) 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=-0.1) USER MOD Single : A 878 SER OG : rot -4:sc= 1.07 USER MOD Single : A 881 SER OG : rot 180:sc= -0.108 USER MOD Single : A 882 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 784 23.359 19.888 -18.612 1.00 0.00 N ATOM 2 CA GLY A 784 22.521 18.918 -17.931 1.00 0.00 C ATOM 3 C GLY A 784 21.306 18.527 -18.749 1.00 0.00 C ATOM 4 O GLY A 784 20.901 19.252 -19.658 1.00 0.00 O ATOM 0 HA2 GLY A 784 23.108 18.027 -17.709 1.00 0.00 H new ATOM 0 HA3 GLY A 784 22.195 19.331 -16.976 1.00 0.00 H new ATOM 8 N SER A 785 20.723 17.376 -18.427 1.00 0.00 N ATOM 9 CA SER A 785 19.550 16.887 -19.142 1.00 0.00 C ATOM 10 C SER A 785 18.510 16.339 -18.170 1.00 0.00 C ATOM 11 O SER A 785 18.838 15.587 -17.252 1.00 0.00 O ATOM 12 CB SER A 785 19.953 15.801 -20.142 1.00 0.00 C ATOM 13 OG SER A 785 18.812 15.212 -20.742 1.00 0.00 O ATOM 0 H SER A 785 21.044 16.765 -17.676 1.00 0.00 H new ATOM 0 HA SER A 785 19.109 17.724 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 785 20.592 16.231 -20.913 1.00 0.00 H new ATOM 0 HB3 SER A 785 20.538 15.034 -19.635 1.00 0.00 H new ATOM 0 HG SER A 785 19.096 14.523 -21.378 1.00 0.00 H new ATOM 19 N SER A 786 17.254 16.721 -18.379 1.00 0.00 N ATOM 20 CA SER A 786 16.166 16.271 -17.519 1.00 0.00 C ATOM 21 C SER A 786 16.036 14.752 -17.557 1.00 0.00 C ATOM 22 O SER A 786 16.084 14.139 -18.623 1.00 0.00 O ATOM 23 CB SER A 786 14.848 16.918 -17.949 1.00 0.00 C ATOM 24 OG SER A 786 14.980 18.325 -18.053 1.00 0.00 O ATOM 0 H SER A 786 16.965 17.341 -19.136 1.00 0.00 H new ATOM 0 HA SER A 786 16.395 16.573 -16.497 1.00 0.00 H new ATOM 0 HB2 SER A 786 14.534 16.507 -18.909 1.00 0.00 H new ATOM 0 HB3 SER A 786 14.068 16.675 -17.228 1.00 0.00 H new ATOM 0 HG SER A 786 14.125 18.714 -18.331 1.00 0.00 H new ATOM 30 N GLY A 787 15.870 14.148 -16.383 1.00 0.00 N ATOM 31 CA GLY A 787 15.736 12.706 -16.303 1.00 0.00 C ATOM 32 C GLY A 787 15.821 12.194 -14.879 1.00 0.00 C ATOM 33 O GLY A 787 14.874 12.333 -14.105 1.00 0.00 O ATOM 0 H GLY A 787 15.826 14.633 -15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 787 14.781 12.408 -16.736 1.00 0.00 H new ATOM 0 HA3 GLY A 787 16.518 12.238 -16.901 1.00 0.00 H new ATOM 37 N SER A 788 16.958 11.598 -14.533 1.00 0.00 N ATOM 38 CA SER A 788 17.161 11.058 -13.194 1.00 0.00 C ATOM 39 C SER A 788 15.944 10.258 -12.740 1.00 0.00 C ATOM 40 O SER A 788 15.513 10.359 -11.591 1.00 0.00 O ATOM 41 CB SER A 788 17.439 12.189 -12.202 1.00 0.00 C ATOM 42 OG SER A 788 18.603 12.912 -12.566 1.00 0.00 O ATOM 0 H SER A 788 17.752 11.477 -15.161 1.00 0.00 H new ATOM 0 HA SER A 788 18.022 10.391 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 788 16.584 12.864 -12.166 1.00 0.00 H new ATOM 0 HB3 SER A 788 17.561 11.777 -11.200 1.00 0.00 H new ATOM 0 HG SER A 788 18.758 13.630 -11.918 1.00 0.00 H new ATOM 48 N SER A 789 15.393 9.462 -13.652 1.00 0.00 N ATOM 49 CA SER A 789 14.224 8.646 -13.348 1.00 0.00 C ATOM 50 C SER A 789 14.558 7.161 -13.441 1.00 0.00 C ATOM 51 O SER A 789 14.934 6.662 -14.501 1.00 0.00 O ATOM 52 CB SER A 789 13.079 8.983 -14.306 1.00 0.00 C ATOM 53 OG SER A 789 13.311 8.435 -15.592 1.00 0.00 O ATOM 0 H SER A 789 15.738 9.365 -14.607 1.00 0.00 H new ATOM 0 HA SER A 789 13.913 8.867 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 789 12.141 8.597 -13.907 1.00 0.00 H new ATOM 0 HB3 SER A 789 12.971 10.065 -14.382 1.00 0.00 H new ATOM 0 HG SER A 789 14.061 7.806 -15.549 1.00 0.00 H new ATOM 59 N GLY A 790 14.419 6.458 -12.320 1.00 0.00 N ATOM 60 CA GLY A 790 14.711 5.037 -12.295 1.00 0.00 C ATOM 61 C GLY A 790 14.107 4.300 -13.474 1.00 0.00 C ATOM 62 O GLY A 790 13.210 4.814 -14.144 1.00 0.00 O ATOM 0 H GLY A 790 14.110 6.848 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 790 15.791 4.891 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 790 14.331 4.607 -11.368 1.00 0.00 H new ATOM 66 N VAL A 791 14.599 3.092 -13.730 1.00 0.00 N ATOM 67 CA VAL A 791 14.102 2.283 -14.837 1.00 0.00 C ATOM 68 C VAL A 791 13.675 0.900 -14.359 1.00 0.00 C ATOM 69 O VAL A 791 14.359 0.273 -13.550 1.00 0.00 O ATOM 70 CB VAL A 791 15.166 2.127 -15.940 1.00 0.00 C ATOM 71 CG1 VAL A 791 14.647 1.240 -17.061 1.00 0.00 C ATOM 72 CG2 VAL A 791 15.582 3.489 -16.475 1.00 0.00 C ATOM 0 H VAL A 791 15.341 2.652 -13.186 1.00 0.00 H new ATOM 0 HA VAL A 791 13.238 2.805 -15.247 1.00 0.00 H new ATOM 0 HB VAL A 791 16.045 1.648 -15.508 1.00 0.00 H new ATOM 0 HG11 VAL A 791 15.412 1.141 -17.831 1.00 0.00 H new ATOM 0 HG12 VAL A 791 14.404 0.255 -16.663 1.00 0.00 H new ATOM 0 HG13 VAL A 791 13.752 1.687 -17.494 1.00 0.00 H new ATOM 0 HG21 VAL A 791 16.334 3.360 -17.253 1.00 0.00 H new ATOM 0 HG22 VAL A 791 14.712 3.997 -16.891 1.00 0.00 H new ATOM 0 HG23 VAL A 791 15.998 4.087 -15.664 1.00 0.00 H new ATOM 82 N PHE A 792 12.540 0.430 -14.864 1.00 0.00 N ATOM 83 CA PHE A 792 12.020 -0.880 -14.488 1.00 0.00 C ATOM 84 C PHE A 792 11.921 -1.796 -15.704 1.00 0.00 C ATOM 85 O PHE A 792 11.029 -1.643 -16.538 1.00 0.00 O ATOM 86 CB PHE A 792 10.646 -0.737 -13.830 1.00 0.00 C ATOM 87 CG PHE A 792 10.560 0.411 -12.866 1.00 0.00 C ATOM 88 CD1 PHE A 792 11.398 0.473 -11.764 1.00 0.00 C ATOM 89 CD2 PHE A 792 9.640 1.429 -13.060 1.00 0.00 C ATOM 90 CE1 PHE A 792 11.321 1.528 -10.875 1.00 0.00 C ATOM 91 CE2 PHE A 792 9.558 2.487 -12.175 1.00 0.00 C ATOM 92 CZ PHE A 792 10.399 2.536 -11.080 1.00 0.00 C ATOM 0 H PHE A 792 11.962 0.936 -15.535 1.00 0.00 H new ATOM 0 HA PHE A 792 12.712 -1.327 -13.774 1.00 0.00 H new ATOM 0 HB2 PHE A 792 9.892 -0.606 -14.606 1.00 0.00 H new ATOM 0 HB3 PHE A 792 10.406 -1.661 -13.304 1.00 0.00 H new ATOM 0 HD1 PHE A 792 12.120 -0.313 -11.598 1.00 0.00 H new ATOM 0 HD2 PHE A 792 8.979 1.395 -13.913 1.00 0.00 H new ATOM 0 HE1 PHE A 792 11.981 1.564 -10.021 1.00 0.00 H new ATOM 0 HE2 PHE A 792 8.837 3.275 -12.339 1.00 0.00 H new ATOM 0 HZ PHE A 792 10.336 3.361 -10.386 1.00 0.00 H new ATOM 102 N ARG A 793 12.845 -2.747 -15.798 1.00 0.00 N ATOM 103 CA ARG A 793 12.864 -3.686 -16.913 1.00 0.00 C ATOM 104 C ARG A 793 12.256 -5.025 -16.506 1.00 0.00 C ATOM 105 O ARG A 793 12.961 -5.926 -16.051 1.00 0.00 O ATOM 106 CB ARG A 793 14.296 -3.893 -17.409 1.00 0.00 C ATOM 107 CG ARG A 793 14.911 -2.651 -18.032 1.00 0.00 C ATOM 108 CD ARG A 793 16.309 -2.927 -18.562 1.00 0.00 C ATOM 109 NE ARG A 793 17.128 -1.718 -18.603 1.00 0.00 N ATOM 110 CZ ARG A 793 18.433 -1.723 -18.847 1.00 0.00 C ATOM 111 NH1 ARG A 793 19.066 -2.866 -19.070 1.00 0.00 N ATOM 112 NH2 ARG A 793 19.109 -0.581 -18.868 1.00 0.00 N ATOM 0 H ARG A 793 13.590 -2.887 -15.116 1.00 0.00 H new ATOM 0 HA ARG A 793 12.265 -3.265 -17.720 1.00 0.00 H new ATOM 0 HB2 ARG A 793 14.918 -4.216 -16.574 1.00 0.00 H new ATOM 0 HB3 ARG A 793 14.304 -4.699 -18.143 1.00 0.00 H new ATOM 0 HG2 ARG A 793 14.276 -2.298 -18.844 1.00 0.00 H new ATOM 0 HG3 ARG A 793 14.953 -1.853 -17.290 1.00 0.00 H new ATOM 0 HD2 ARG A 793 16.795 -3.673 -17.932 1.00 0.00 H new ATOM 0 HD3 ARG A 793 16.240 -3.352 -19.563 1.00 0.00 H new ATOM 0 HE ARG A 793 16.672 -0.821 -18.435 1.00 0.00 H new ATOM 0 HH11 ARG A 793 18.550 -3.746 -19.055 1.00 0.00 H new ATOM 0 HH12 ARG A 793 20.069 -2.866 -19.257 1.00 0.00 H new ATOM 0 HH21 ARG A 793 18.626 0.301 -18.697 1.00 0.00 H new ATOM 0 HH22 ARG A 793 20.112 -0.585 -19.055 1.00 0.00 H new ATOM 126 N TYR A 794 10.944 -5.148 -16.672 1.00 0.00 N ATOM 127 CA TYR A 794 10.240 -6.375 -16.319 1.00 0.00 C ATOM 128 C TYR A 794 9.605 -7.013 -17.551 1.00 0.00 C ATOM 129 O TYR A 794 9.406 -6.354 -18.571 1.00 0.00 O ATOM 130 CB TYR A 794 9.166 -6.088 -15.268 1.00 0.00 C ATOM 131 CG TYR A 794 9.726 -5.653 -13.933 1.00 0.00 C ATOM 132 CD1 TYR A 794 10.626 -6.455 -13.241 1.00 0.00 C ATOM 133 CD2 TYR A 794 9.355 -4.442 -13.362 1.00 0.00 C ATOM 134 CE1 TYR A 794 11.140 -6.062 -12.020 1.00 0.00 C ATOM 135 CE2 TYR A 794 9.865 -4.041 -12.143 1.00 0.00 C ATOM 136 CZ TYR A 794 10.757 -4.854 -11.475 1.00 0.00 C ATOM 137 OH TYR A 794 11.266 -4.458 -10.260 1.00 0.00 O ATOM 0 H TYR A 794 10.346 -4.413 -17.049 1.00 0.00 H new ATOM 0 HA TYR A 794 10.967 -7.074 -15.904 1.00 0.00 H new ATOM 0 HB2 TYR A 794 8.500 -5.311 -15.644 1.00 0.00 H new ATOM 0 HB3 TYR A 794 8.562 -6.984 -15.124 1.00 0.00 H new ATOM 0 HD1 TYR A 794 10.929 -7.401 -13.665 1.00 0.00 H new ATOM 0 HD2 TYR A 794 8.656 -3.803 -13.881 1.00 0.00 H new ATOM 0 HE1 TYR A 794 11.838 -6.697 -11.495 1.00 0.00 H new ATOM 0 HE2 TYR A 794 9.567 -3.095 -11.715 1.00 0.00 H new ATOM 0 HH TYR A 794 10.896 -3.583 -10.020 1.00 0.00 H new ATOM 147 N SER A 795 9.289 -8.300 -17.447 1.00 0.00 N ATOM 148 CA SER A 795 8.679 -9.029 -18.552 1.00 0.00 C ATOM 149 C SER A 795 7.173 -8.792 -18.594 1.00 0.00 C ATOM 150 O SER A 795 6.606 -8.498 -19.647 1.00 0.00 O ATOM 151 CB SER A 795 8.969 -10.526 -18.425 1.00 0.00 C ATOM 152 OG SER A 795 10.350 -10.794 -18.595 1.00 0.00 O ATOM 0 H SER A 795 9.446 -8.859 -16.608 1.00 0.00 H new ATOM 0 HA SER A 795 9.113 -8.660 -19.482 1.00 0.00 H new ATOM 0 HB2 SER A 795 8.644 -10.881 -17.447 1.00 0.00 H new ATOM 0 HB3 SER A 795 8.394 -11.076 -19.170 1.00 0.00 H new ATOM 0 HG SER A 795 10.510 -11.757 -18.508 1.00 0.00 H new ATOM 158 N THR A 796 6.527 -8.923 -17.439 1.00 0.00 N ATOM 159 CA THR A 796 5.087 -8.725 -17.341 1.00 0.00 C ATOM 160 C THR A 796 4.752 -7.570 -16.405 1.00 0.00 C ATOM 161 O THR A 796 5.161 -7.562 -15.243 1.00 0.00 O ATOM 162 CB THR A 796 4.378 -9.998 -16.842 1.00 0.00 C ATOM 163 OG1 THR A 796 4.710 -11.107 -17.685 1.00 0.00 O ATOM 164 CG2 THR A 796 2.869 -9.804 -16.822 1.00 0.00 C ATOM 0 H THR A 796 6.980 -9.166 -16.558 1.00 0.00 H new ATOM 0 HA THR A 796 4.732 -8.489 -18.344 1.00 0.00 H new ATOM 0 HB THR A 796 4.716 -10.201 -15.826 1.00 0.00 H new ATOM 0 HG1 THR A 796 4.256 -11.913 -17.360 1.00 0.00 H new ATOM 0 HG21 THR A 796 2.390 -10.716 -16.466 1.00 0.00 H new ATOM 0 HG22 THR A 796 2.617 -8.978 -16.157 1.00 0.00 H new ATOM 0 HG23 THR A 796 2.518 -9.579 -17.829 1.00 0.00 H new ATOM 172 N SER A 797 4.006 -6.597 -16.916 1.00 0.00 N ATOM 173 CA SER A 797 3.619 -5.434 -16.125 1.00 0.00 C ATOM 174 C SER A 797 3.110 -5.857 -14.751 1.00 0.00 C ATOM 175 O SER A 797 1.967 -6.291 -14.605 1.00 0.00 O ATOM 176 CB SER A 797 2.542 -4.630 -16.855 1.00 0.00 C ATOM 177 OG SER A 797 2.291 -3.400 -16.198 1.00 0.00 O ATOM 0 H SER A 797 3.657 -6.590 -17.874 1.00 0.00 H new ATOM 0 HA SER A 797 4.501 -4.808 -15.990 1.00 0.00 H new ATOM 0 HB2 SER A 797 2.858 -4.440 -17.881 1.00 0.00 H new ATOM 0 HB3 SER A 797 1.622 -5.212 -16.908 1.00 0.00 H new ATOM 0 HG SER A 797 1.600 -2.904 -16.685 1.00 0.00 H new ATOM 183 N LEU A 798 3.968 -5.729 -13.744 1.00 0.00 N ATOM 184 CA LEU A 798 3.607 -6.097 -12.380 1.00 0.00 C ATOM 185 C LEU A 798 2.668 -5.063 -11.766 1.00 0.00 C ATOM 186 O LEU A 798 2.498 -3.970 -12.305 1.00 0.00 O ATOM 187 CB LEU A 798 4.864 -6.236 -11.519 1.00 0.00 C ATOM 188 CG LEU A 798 5.940 -7.184 -12.050 1.00 0.00 C ATOM 189 CD1 LEU A 798 7.301 -6.820 -11.478 1.00 0.00 C ATOM 190 CD2 LEU A 798 5.589 -8.628 -11.719 1.00 0.00 C ATOM 0 H LEU A 798 4.918 -5.373 -13.847 1.00 0.00 H new ATOM 0 HA LEU A 798 3.089 -7.055 -12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 798 5.307 -5.248 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 798 4.565 -6.577 -10.528 1.00 0.00 H new ATOM 0 HG LEU A 798 5.985 -7.081 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 798 8.054 -7.505 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 798 7.555 -5.800 -11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 798 7.270 -6.894 -10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 798 6.366 -9.289 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 798 5.516 -8.746 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 798 4.634 -8.885 -12.177 1.00 0.00 H new ATOM 202 N GLU A 799 2.064 -5.416 -10.636 1.00 0.00 N ATOM 203 CA GLU A 799 1.144 -4.517 -9.949 1.00 0.00 C ATOM 204 C GLU A 799 1.903 -3.400 -9.239 1.00 0.00 C ATOM 205 O GLU A 799 2.588 -3.634 -8.243 1.00 0.00 O ATOM 206 CB GLU A 799 0.296 -5.293 -8.940 1.00 0.00 C ATOM 207 CG GLU A 799 -0.261 -6.597 -9.488 1.00 0.00 C ATOM 208 CD GLU A 799 -1.445 -6.384 -10.410 1.00 0.00 C ATOM 209 OE1 GLU A 799 -1.312 -5.604 -11.377 1.00 0.00 O ATOM 210 OE2 GLU A 799 -2.505 -6.997 -10.166 1.00 0.00 O ATOM 0 H GLU A 799 2.195 -6.317 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 799 0.488 -4.070 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 799 0.901 -5.508 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 799 -0.531 -4.663 -8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 799 0.525 -7.125 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 799 -0.562 -7.236 -8.658 1.00 0.00 H new ATOM 217 N LYS A 800 1.778 -2.184 -9.760 1.00 0.00 N ATOM 218 CA LYS A 800 2.450 -1.029 -9.177 1.00 0.00 C ATOM 219 C LYS A 800 1.460 -0.145 -8.425 1.00 0.00 C ATOM 220 O LYS A 800 1.714 0.263 -7.291 1.00 0.00 O ATOM 221 CB LYS A 800 3.149 -0.215 -10.269 1.00 0.00 C ATOM 222 CG LYS A 800 3.267 1.264 -9.944 1.00 0.00 C ATOM 223 CD LYS A 800 4.345 1.934 -10.780 1.00 0.00 C ATOM 224 CE LYS A 800 4.873 3.190 -10.104 1.00 0.00 C ATOM 225 NZ LYS A 800 3.880 4.299 -10.139 1.00 0.00 N ATOM 0 H LYS A 800 1.217 -1.973 -10.585 1.00 0.00 H new ATOM 0 HA LYS A 800 3.195 -1.393 -8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 800 4.146 -0.623 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 800 2.600 -0.330 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 800 2.310 1.754 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 800 3.496 1.388 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 800 5.166 1.236 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 800 3.941 2.189 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 800 5.129 2.965 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 800 5.791 3.509 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 4.278 5.137 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 3.654 4.532 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 3.013 4.004 -9.646 1.00 0.00 H new ATOM 239 N HIS A 801 0.331 0.147 -9.063 1.00 0.00 N ATOM 240 CA HIS A 801 -0.698 0.981 -8.453 1.00 0.00 C ATOM 241 C HIS A 801 -0.827 0.682 -6.962 1.00 0.00 C ATOM 242 O HIS A 801 -0.944 1.593 -6.143 1.00 0.00 O ATOM 243 CB HIS A 801 -2.042 0.759 -9.147 1.00 0.00 C ATOM 244 CG HIS A 801 -2.460 -0.678 -9.198 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.658 -1.678 -9.706 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.604 -1.282 -8.798 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.291 -2.834 -9.618 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.474 -2.621 -9.070 1.00 0.00 N ATOM 0 H HIS A 801 0.106 -0.182 -10.002 1.00 0.00 H new ATOM 0 HA HIS A 801 -0.403 2.024 -8.573 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.809 1.334 -8.628 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.985 1.149 -10.163 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.460 -0.800 -8.349 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.907 -3.791 -9.939 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.177 -3.336 -8.880 1.00 0.00 H new ATOM 256 N LYS A 802 -0.805 -0.601 -6.617 1.00 0.00 N ATOM 257 CA LYS A 802 -0.919 -1.022 -5.226 1.00 0.00 C ATOM 258 C LYS A 802 0.128 -0.328 -4.360 1.00 0.00 C ATOM 259 O LYS A 802 1.118 0.200 -4.869 1.00 0.00 O ATOM 260 CB LYS A 802 -0.762 -2.540 -5.116 1.00 0.00 C ATOM 261 CG LYS A 802 -1.935 -3.316 -5.689 1.00 0.00 C ATOM 262 CD LYS A 802 -1.920 -4.766 -5.233 1.00 0.00 C ATOM 263 CE LYS A 802 -3.206 -5.483 -5.615 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.278 -5.753 -7.077 1.00 0.00 N ATOM 0 H LYS A 802 -0.709 -1.368 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.908 -0.739 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.149 -2.841 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.637 -2.809 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.869 -2.846 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -1.902 -3.276 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.069 -5.280 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.786 -4.807 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -3.273 -6.424 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -4.062 -4.878 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.169 -6.243 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -3.240 -4.854 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.476 -6.351 -7.359 1.00 0.00 H new ATOM 278 N LEU A 803 -0.097 -0.333 -3.051 1.00 0.00 N ATOM 279 CA LEU A 803 0.828 0.296 -2.114 1.00 0.00 C ATOM 280 C LEU A 803 1.034 -0.580 -0.882 1.00 0.00 C ATOM 281 O LEU A 803 0.103 -1.229 -0.406 1.00 0.00 O ATOM 282 CB LEU A 803 0.305 1.670 -1.694 1.00 0.00 C ATOM 283 CG LEU A 803 -0.234 2.555 -2.819 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.144 3.637 -2.257 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.911 3.175 -3.606 1.00 0.00 C ATOM 0 H LEU A 803 -0.911 -0.765 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 803 1.788 0.418 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.488 1.526 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 803 1.111 2.205 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 803 -0.818 1.932 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.518 4.257 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -1.983 3.173 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.583 4.257 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.508 3.801 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.523 3.784 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.524 2.385 -4.041 1.00 0.00 H new ATOM 297 N PHE A 804 2.261 -0.593 -0.370 1.00 0.00 N ATOM 298 CA PHE A 804 2.589 -1.388 0.808 1.00 0.00 C ATOM 299 C PHE A 804 2.948 -0.490 1.988 1.00 0.00 C ATOM 300 O PHE A 804 3.923 0.260 1.936 1.00 0.00 O ATOM 301 CB PHE A 804 3.751 -2.335 0.501 1.00 0.00 C ATOM 302 CG PHE A 804 4.439 -2.857 1.731 1.00 0.00 C ATOM 303 CD1 PHE A 804 4.011 -4.026 2.337 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.514 -2.176 2.280 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.642 -4.509 3.468 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.150 -2.655 3.410 1.00 0.00 C ATOM 307 CZ PHE A 804 5.712 -3.821 4.006 1.00 0.00 C ATOM 0 H PHE A 804 3.044 -0.062 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 804 1.711 -1.975 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.379 -3.177 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.480 -1.814 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 804 3.174 -4.567 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.858 -1.262 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 804 4.299 -5.423 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.989 -2.118 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.205 -4.194 4.891 1.00 0.00 H new ATOM 317 N ILE A 805 2.152 -0.571 3.049 1.00 0.00 N ATOM 318 CA ILE A 805 2.386 0.233 4.242 1.00 0.00 C ATOM 319 C ILE A 805 2.765 -0.644 5.431 1.00 0.00 C ATOM 320 O ILE A 805 2.319 -1.786 5.540 1.00 0.00 O ATOM 321 CB ILE A 805 1.145 1.068 4.610 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.491 1.632 3.347 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.526 2.191 5.562 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.458 2.778 3.619 1.00 0.00 C ATOM 0 H ILE A 805 1.340 -1.185 3.107 1.00 0.00 H new ATOM 0 HA ILE A 805 3.212 0.906 4.012 1.00 0.00 H new ATOM 0 HB ILE A 805 0.425 0.421 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.270 1.970 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.052 0.834 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.639 2.772 5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.952 1.768 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.261 2.839 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.885 3.128 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.258 2.439 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.084 3.594 4.097 1.00 0.00 H new ATOM 336 N SER A 806 3.590 -0.100 6.320 1.00 0.00 N ATOM 337 CA SER A 806 4.032 -0.834 7.501 1.00 0.00 C ATOM 338 C SER A 806 4.295 0.118 8.664 1.00 0.00 C ATOM 339 O SER A 806 4.549 1.305 8.465 1.00 0.00 O ATOM 340 CB SER A 806 5.296 -1.635 7.186 1.00 0.00 C ATOM 341 OG SER A 806 6.414 -0.780 7.024 1.00 0.00 O ATOM 0 H SER A 806 3.966 0.845 6.245 1.00 0.00 H new ATOM 0 HA SER A 806 3.238 -1.522 7.790 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.490 -2.345 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.144 -2.217 6.277 1.00 0.00 H new ATOM 0 HG SER A 806 7.210 -1.316 6.825 1.00 0.00 H new ATOM 347 N GLY A 807 4.231 -0.414 9.881 1.00 0.00 N ATOM 348 CA GLY A 807 4.465 0.401 11.059 1.00 0.00 C ATOM 349 C GLY A 807 3.208 1.100 11.539 1.00 0.00 C ATOM 350 O GLY A 807 3.278 2.167 12.151 1.00 0.00 O ATOM 0 H GLY A 807 4.022 -1.394 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.856 -0.227 11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.229 1.146 10.836 1.00 0.00 H new ATOM 354 N LEU A 808 2.056 0.501 11.259 1.00 0.00 N ATOM 355 CA LEU A 808 0.777 1.074 11.665 1.00 0.00 C ATOM 356 C LEU A 808 0.377 0.585 13.053 1.00 0.00 C ATOM 357 O LEU A 808 0.621 -0.562 13.428 1.00 0.00 O ATOM 358 CB LEU A 808 -0.310 0.714 10.651 1.00 0.00 C ATOM 359 CG LEU A 808 -0.257 1.458 9.316 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.039 0.703 8.253 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.795 2.873 9.473 1.00 0.00 C ATOM 0 H LEU A 808 1.981 -0.381 10.753 1.00 0.00 H new ATOM 0 HA LEU A 808 0.887 2.158 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.251 -0.356 10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.282 0.900 11.109 1.00 0.00 H new ATOM 0 HG LEU A 808 0.783 1.520 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.990 1.247 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.609 -0.290 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.079 0.610 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.750 3.388 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.829 2.833 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.192 3.413 10.203 1.00 0.00 H new ATOM 373 N PRO A 809 -0.254 1.474 13.834 1.00 0.00 N ATOM 374 CA PRO A 809 -0.705 1.155 15.192 1.00 0.00 C ATOM 375 C PRO A 809 -1.870 0.172 15.200 1.00 0.00 C ATOM 376 O PRO A 809 -2.839 0.336 14.458 1.00 0.00 O ATOM 377 CB PRO A 809 -1.145 2.511 15.748 1.00 0.00 C ATOM 378 CG PRO A 809 -1.503 3.315 14.546 1.00 0.00 C ATOM 379 CD PRO A 809 -0.578 2.859 13.452 1.00 0.00 C ATOM 0 HA PRO A 809 0.077 0.673 15.778 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.996 2.406 16.421 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.345 2.984 16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.545 3.157 14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.383 4.381 14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -1.059 2.904 12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.316 3.480 13.397 1.00 0.00 H new ATOM 387 N PHE A 810 -1.771 -0.850 16.044 1.00 0.00 N ATOM 388 CA PHE A 810 -2.818 -1.860 16.148 1.00 0.00 C ATOM 389 C PHE A 810 -4.194 -1.209 16.247 1.00 0.00 C ATOM 390 O PHE A 810 -5.156 -1.669 15.632 1.00 0.00 O ATOM 391 CB PHE A 810 -2.575 -2.753 17.367 1.00 0.00 C ATOM 392 CG PHE A 810 -1.150 -3.209 17.501 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.505 -3.831 16.445 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.456 -3.017 18.685 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.806 -4.252 16.565 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.855 -3.435 18.811 1.00 0.00 C ATOM 397 CZ PHE A 810 1.487 -4.054 17.750 1.00 0.00 C ATOM 0 H PHE A 810 -0.977 -1.001 16.666 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.789 -2.472 15.246 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.861 -2.210 18.268 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.223 -3.627 17.302 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -1.033 -3.989 15.516 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.945 -2.535 19.519 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.297 -4.735 15.733 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.385 -3.278 19.739 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.511 -4.382 17.847 1.00 0.00 H new ATOM 407 N SER A 811 -4.280 -0.135 17.026 1.00 0.00 N ATOM 408 CA SER A 811 -5.539 0.577 17.209 1.00 0.00 C ATOM 409 C SER A 811 -6.181 0.901 15.864 1.00 0.00 C ATOM 410 O SER A 811 -7.377 0.685 15.666 1.00 0.00 O ATOM 411 CB SER A 811 -5.309 1.866 18.001 1.00 0.00 C ATOM 412 OG SER A 811 -5.277 1.610 19.395 1.00 0.00 O ATOM 0 H SER A 811 -3.493 0.261 17.540 1.00 0.00 H new ATOM 0 HA SER A 811 -6.216 -0.069 17.768 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.370 2.324 17.691 1.00 0.00 H new ATOM 0 HB3 SER A 811 -6.102 2.580 17.777 1.00 0.00 H new ATOM 0 HG SER A 811 -5.127 2.449 19.878 1.00 0.00 H new ATOM 418 N CYS A 812 -5.377 1.421 14.942 1.00 0.00 N ATOM 419 CA CYS A 812 -5.866 1.776 13.615 1.00 0.00 C ATOM 420 C CYS A 812 -6.580 0.596 12.964 1.00 0.00 C ATOM 421 O CYS A 812 -6.248 -0.562 13.219 1.00 0.00 O ATOM 422 CB CYS A 812 -4.708 2.239 12.729 1.00 0.00 C ATOM 423 SG CYS A 812 -5.208 2.756 11.070 1.00 0.00 S ATOM 0 H CYS A 812 -4.385 1.606 15.089 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.579 2.593 13.725 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.200 3.069 13.219 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -3.984 1.429 12.643 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.160 3.132 10.398 1.00 0.00 H new ATOM 429 N THR A 813 -7.565 0.897 12.123 1.00 0.00 N ATOM 430 CA THR A 813 -8.328 -0.138 11.438 1.00 0.00 C ATOM 431 C THR A 813 -8.382 0.121 9.937 1.00 0.00 C ATOM 432 O THR A 813 -7.983 1.186 9.465 1.00 0.00 O ATOM 433 CB THR A 813 -9.766 -0.230 11.984 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.609 -0.892 11.034 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.320 1.154 12.284 1.00 0.00 C ATOM 0 H THR A 813 -7.853 1.850 11.900 1.00 0.00 H new ATOM 0 HA THR A 813 -7.816 -1.082 11.622 1.00 0.00 H new ATOM 0 HB THR A 813 -9.744 -0.803 12.911 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.521 -0.948 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.336 1.064 12.668 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.693 1.643 13.029 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.329 1.748 11.370 1.00 0.00 H new ATOM 443 N LYS A 814 -8.880 -0.858 9.190 1.00 0.00 N ATOM 444 CA LYS A 814 -8.989 -0.736 7.741 1.00 0.00 C ATOM 445 C LYS A 814 -9.743 0.533 7.357 1.00 0.00 C ATOM 446 O LYS A 814 -9.225 1.375 6.625 1.00 0.00 O ATOM 447 CB LYS A 814 -9.698 -1.960 7.157 1.00 0.00 C ATOM 448 CG LYS A 814 -9.315 -2.256 5.718 1.00 0.00 C ATOM 449 CD LYS A 814 -10.334 -3.159 5.043 1.00 0.00 C ATOM 450 CE LYS A 814 -10.078 -4.624 5.360 1.00 0.00 C ATOM 451 NZ LYS A 814 -10.635 -5.011 6.686 1.00 0.00 N ATOM 0 H LYS A 814 -9.215 -1.746 9.564 1.00 0.00 H new ATOM 0 HA LYS A 814 -7.981 -0.677 7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.468 -2.830 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -10.776 -1.806 7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.232 -1.321 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -8.334 -2.730 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -11.337 -2.885 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -10.298 -3.007 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -10.523 -5.247 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -9.005 -4.816 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -10.954 -6.000 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -9.900 -4.909 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -11.440 -4.395 6.918 1.00 0.00 H new ATOM 465 N GLU A 815 -10.968 0.662 7.858 1.00 0.00 N ATOM 466 CA GLU A 815 -11.792 1.829 7.566 1.00 0.00 C ATOM 467 C GLU A 815 -10.972 3.112 7.662 1.00 0.00 C ATOM 468 O GLU A 815 -10.862 3.864 6.694 1.00 0.00 O ATOM 469 CB GLU A 815 -12.979 1.897 8.530 1.00 0.00 C ATOM 470 CG GLU A 815 -13.921 0.710 8.419 1.00 0.00 C ATOM 471 CD GLU A 815 -14.694 0.457 9.699 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.754 1.089 9.888 1.00 0.00 O ATOM 473 OE2 GLU A 815 -14.237 -0.374 10.512 1.00 0.00 O ATOM 0 H GLU A 815 -11.411 -0.026 8.467 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.165 1.732 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.604 1.958 9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.538 2.813 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.623 0.883 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.348 -0.181 8.163 1.00 0.00 H new ATOM 480 N GLU A 816 -10.398 3.355 8.837 1.00 0.00 N ATOM 481 CA GLU A 816 -9.589 4.547 9.059 1.00 0.00 C ATOM 482 C GLU A 816 -8.670 4.811 7.870 1.00 0.00 C ATOM 483 O GLU A 816 -8.542 5.945 7.408 1.00 0.00 O ATOM 484 CB GLU A 816 -8.759 4.397 10.336 1.00 0.00 C ATOM 485 CG GLU A 816 -9.583 4.476 11.610 1.00 0.00 C ATOM 486 CD GLU A 816 -9.768 5.900 12.098 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.783 6.493 12.585 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.898 6.421 11.992 1.00 0.00 O ATOM 0 H GLU A 816 -10.479 2.742 9.649 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.263 5.396 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.237 3.441 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.997 5.176 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.560 4.026 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -9.097 3.889 12.389 1.00 0.00 H new ATOM 495 N LEU A 817 -8.030 3.755 7.379 1.00 0.00 N ATOM 496 CA LEU A 817 -7.121 3.870 6.244 1.00 0.00 C ATOM 497 C LEU A 817 -7.889 4.164 4.960 1.00 0.00 C ATOM 498 O LEU A 817 -7.410 4.895 4.093 1.00 0.00 O ATOM 499 CB LEU A 817 -6.309 2.584 6.083 1.00 0.00 C ATOM 500 CG LEU A 817 -4.962 2.725 5.373 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.004 3.560 6.207 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.366 1.355 5.083 1.00 0.00 C ATOM 0 H LEU A 817 -8.124 2.809 7.749 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.441 4.700 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.133 2.163 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.913 1.863 5.533 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.125 3.236 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.051 3.649 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.427 4.552 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.846 3.078 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.408 1.475 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.218 0.817 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.045 0.791 4.444 1.00 0.00 H new ATOM 514 N GLU A 818 -9.084 3.592 4.846 1.00 0.00 N ATOM 515 CA GLU A 818 -9.918 3.794 3.667 1.00 0.00 C ATOM 516 C GLU A 818 -10.182 5.280 3.436 1.00 0.00 C ATOM 517 O GLU A 818 -9.823 5.829 2.395 1.00 0.00 O ATOM 518 CB GLU A 818 -11.245 3.047 3.820 1.00 0.00 C ATOM 519 CG GLU A 818 -12.093 3.051 2.559 1.00 0.00 C ATOM 520 CD GLU A 818 -13.037 1.866 2.488 1.00 0.00 C ATOM 521 OE1 GLU A 818 -12.552 0.734 2.280 1.00 0.00 O ATOM 522 OE2 GLU A 818 -14.259 2.070 2.640 1.00 0.00 O ATOM 0 H GLU A 818 -9.496 2.986 5.555 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.384 3.398 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -11.041 2.016 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.815 3.498 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -12.671 3.974 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.440 3.044 1.686 1.00 0.00 H new ATOM 529 N GLU A 819 -10.812 5.922 4.415 1.00 0.00 N ATOM 530 CA GLU A 819 -11.125 7.343 4.318 1.00 0.00 C ATOM 531 C GLU A 819 -9.852 8.172 4.171 1.00 0.00 C ATOM 532 O GLU A 819 -9.808 9.130 3.399 1.00 0.00 O ATOM 533 CB GLU A 819 -11.906 7.802 5.551 1.00 0.00 C ATOM 534 CG GLU A 819 -11.096 7.758 6.835 1.00 0.00 C ATOM 535 CD GLU A 819 -10.337 9.045 7.091 1.00 0.00 C ATOM 536 OE1 GLU A 819 -10.233 9.867 6.156 1.00 0.00 O ATOM 537 OE2 GLU A 819 -9.848 9.231 8.225 1.00 0.00 O ATOM 0 H GLU A 819 -11.115 5.481 5.283 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.740 7.493 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -12.259 8.820 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -12.789 7.173 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -11.763 7.561 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -10.391 6.928 6.787 1.00 0.00 H new ATOM 544 N ILE A 820 -8.819 7.796 4.917 1.00 0.00 N ATOM 545 CA ILE A 820 -7.545 8.503 4.871 1.00 0.00 C ATOM 546 C ILE A 820 -6.877 8.343 3.509 1.00 0.00 C ATOM 547 O ILE A 820 -6.087 9.190 3.091 1.00 0.00 O ATOM 548 CB ILE A 820 -6.583 8.003 5.964 1.00 0.00 C ATOM 549 CG1 ILE A 820 -7.095 8.406 7.348 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.184 8.553 5.730 1.00 0.00 C ATOM 551 CD1 ILE A 820 -6.321 7.777 8.485 1.00 0.00 C ATOM 0 H ILE A 820 -8.839 7.005 5.561 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.763 9.557 5.045 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.537 6.915 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -7.047 9.491 7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -8.145 8.125 7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.515 8.191 6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.820 8.221 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.213 9.642 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.739 8.107 9.436 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -6.390 6.691 8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -5.275 8.079 8.424 1.00 0.00 H new ATOM 563 N CYS A 821 -7.202 7.254 2.822 1.00 0.00 N ATOM 564 CA CYS A 821 -6.634 6.983 1.506 1.00 0.00 C ATOM 565 C CYS A 821 -7.471 7.633 0.408 1.00 0.00 C ATOM 566 O CYS A 821 -6.972 7.919 -0.680 1.00 0.00 O ATOM 567 CB CYS A 821 -6.541 5.475 1.268 1.00 0.00 C ATOM 568 SG CYS A 821 -5.272 4.649 2.256 1.00 0.00 S ATOM 0 H CYS A 821 -7.855 6.545 3.154 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.632 7.411 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.508 5.023 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.338 5.296 0.212 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.658 4.590 3.496 1.00 0.00 H new ATOM 574 N LYS A 822 -8.746 7.861 0.701 1.00 0.00 N ATOM 575 CA LYS A 822 -9.654 8.477 -0.259 1.00 0.00 C ATOM 576 C LYS A 822 -9.208 9.896 -0.598 1.00 0.00 C ATOM 577 O LYS A 822 -9.252 10.311 -1.755 1.00 0.00 O ATOM 578 CB LYS A 822 -11.080 8.497 0.296 1.00 0.00 C ATOM 579 CG LYS A 822 -11.783 7.153 0.218 1.00 0.00 C ATOM 580 CD LYS A 822 -13.246 7.265 0.612 1.00 0.00 C ATOM 581 CE LYS A 822 -14.101 7.746 -0.551 1.00 0.00 C ATOM 582 NZ LYS A 822 -15.521 7.944 -0.150 1.00 0.00 N ATOM 0 H LYS A 822 -9.175 7.628 1.597 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.635 7.882 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.051 8.823 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.664 9.235 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.707 6.760 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.282 6.441 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.607 6.295 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.347 7.956 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.698 8.683 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -14.051 7.021 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -16.071 8.272 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.914 7.044 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.572 8.655 0.608 1.00 0.00 H new ATOM 596 N ALA A 823 -8.779 10.634 0.420 1.00 0.00 N ATOM 597 CA ALA A 823 -8.322 12.005 0.230 1.00 0.00 C ATOM 598 C ALA A 823 -7.362 12.105 -0.951 1.00 0.00 C ATOM 599 O ALA A 823 -7.527 12.952 -1.829 1.00 0.00 O ATOM 600 CB ALA A 823 -7.657 12.521 1.498 1.00 0.00 C ATOM 0 H ALA A 823 -8.738 10.306 1.385 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.192 12.624 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.321 13.546 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.372 12.495 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -6.801 11.892 1.742 1.00 0.00 H new ATOM 606 N HIS A 824 -6.357 11.235 -0.965 1.00 0.00 N ATOM 607 CA HIS A 824 -5.369 11.225 -2.039 1.00 0.00 C ATOM 608 C HIS A 824 -6.029 10.921 -3.381 1.00 0.00 C ATOM 609 O HIS A 824 -5.896 11.685 -4.336 1.00 0.00 O ATOM 610 CB HIS A 824 -4.279 10.194 -1.748 1.00 0.00 C ATOM 611 CG HIS A 824 -3.653 10.349 -0.396 1.00 0.00 C ATOM 612 ND1 HIS A 824 -2.965 11.479 -0.010 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.616 9.507 0.663 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.530 11.326 1.228 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.913 10.138 1.660 1.00 0.00 N ATOM 0 H HIS A 824 -6.205 10.528 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 824 -4.916 12.215 -2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.705 9.194 -1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.503 10.273 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.057 8.523 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -1.959 12.049 1.791 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.718 9.752 2.584 1.00 0.00 H new ATOM 623 N GLY A 825 -6.740 9.800 -3.445 1.00 0.00 N ATOM 624 CA GLY A 825 -7.408 9.414 -4.674 1.00 0.00 C ATOM 625 C GLY A 825 -8.556 8.454 -4.433 1.00 0.00 C ATOM 626 O GLY A 825 -9.100 8.388 -3.330 1.00 0.00 O ATOM 0 H GLY A 825 -6.865 9.152 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.784 10.306 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.686 8.951 -5.346 1.00 0.00 H new ATOM 630 N THR A 826 -8.929 7.709 -5.469 1.00 0.00 N ATOM 631 CA THR A 826 -10.022 6.750 -5.366 1.00 0.00 C ATOM 632 C THR A 826 -9.531 5.413 -4.824 1.00 0.00 C ATOM 633 O THR A 826 -8.541 4.861 -5.306 1.00 0.00 O ATOM 634 CB THR A 826 -10.699 6.520 -6.731 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.232 7.753 -7.226 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.812 5.490 -6.616 1.00 0.00 C ATOM 0 H THR A 826 -8.490 7.751 -6.389 1.00 0.00 H new ATOM 0 HA THR A 826 -10.750 7.174 -4.675 1.00 0.00 H new ATOM 0 HB THR A 826 -9.948 6.144 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.555 7.625 -8.142 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.275 5.344 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.398 4.544 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.562 5.842 -5.907 1.00 0.00 H new ATOM 644 N VAL A 827 -10.230 4.894 -3.818 1.00 0.00 N ATOM 645 CA VAL A 827 -9.865 3.620 -3.211 1.00 0.00 C ATOM 646 C VAL A 827 -10.693 2.478 -3.791 1.00 0.00 C ATOM 647 O VAL A 827 -11.876 2.334 -3.480 1.00 0.00 O ATOM 648 CB VAL A 827 -10.054 3.651 -1.683 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.853 2.265 -1.091 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.101 4.654 -1.049 1.00 0.00 C ATOM 0 H VAL A 827 -11.052 5.337 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.812 3.453 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.075 3.967 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.991 2.307 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.579 1.576 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.845 1.916 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.248 4.663 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.073 4.370 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.299 5.648 -1.450 1.00 0.00 H new ATOM 660 N LYS A 828 -10.064 1.669 -4.636 1.00 0.00 N ATOM 661 CA LYS A 828 -10.741 0.538 -5.260 1.00 0.00 C ATOM 662 C LYS A 828 -10.912 -0.609 -4.268 1.00 0.00 C ATOM 663 O LYS A 828 -11.947 -1.275 -4.246 1.00 0.00 O ATOM 664 CB LYS A 828 -9.954 0.056 -6.481 1.00 0.00 C ATOM 665 CG LYS A 828 -9.757 1.128 -7.539 1.00 0.00 C ATOM 666 CD LYS A 828 -11.049 1.423 -8.282 1.00 0.00 C ATOM 667 CE LYS A 828 -11.396 0.311 -9.260 1.00 0.00 C ATOM 668 NZ LYS A 828 -12.133 -0.801 -8.598 1.00 0.00 N ATOM 0 H LYS A 828 -9.086 1.775 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.729 0.870 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.978 -0.305 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.474 -0.792 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.390 2.041 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.994 0.805 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.862 1.546 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -10.953 2.366 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -12.002 0.716 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -10.481 -0.076 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -11.510 -1.630 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -12.437 -0.500 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.968 -1.051 -9.166 1.00 0.00 H new ATOM 682 N ASP A 829 -9.891 -0.831 -3.447 1.00 0.00 N ATOM 683 CA ASP A 829 -9.929 -1.896 -2.451 1.00 0.00 C ATOM 684 C ASP A 829 -8.853 -1.686 -1.390 1.00 0.00 C ATOM 685 O ASP A 829 -7.871 -0.979 -1.619 1.00 0.00 O ATOM 686 CB ASP A 829 -9.745 -3.258 -3.121 1.00 0.00 C ATOM 687 CG ASP A 829 -10.444 -4.373 -2.368 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.683 -4.306 -2.224 1.00 0.00 O ATOM 689 OD2 ASP A 829 -9.752 -5.313 -1.925 1.00 0.00 O ATOM 0 H ASP A 829 -9.027 -0.288 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.904 -1.870 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -10.131 -3.214 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.681 -3.483 -3.193 1.00 0.00 H new ATOM 694 N LEU A 830 -9.044 -2.304 -0.230 1.00 0.00 N ATOM 695 CA LEU A 830 -8.090 -2.185 0.867 1.00 0.00 C ATOM 696 C LEU A 830 -8.051 -3.465 1.696 1.00 0.00 C ATOM 697 O LEU A 830 -9.081 -3.933 2.182 1.00 0.00 O ATOM 698 CB LEU A 830 -8.454 -0.997 1.759 1.00 0.00 C ATOM 699 CG LEU A 830 -7.287 -0.305 2.464 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.706 1.068 2.967 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.774 -1.162 3.612 1.00 0.00 C ATOM 0 H LEU A 830 -9.851 -2.893 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.101 -2.021 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.975 -0.258 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.159 -1.340 2.517 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.478 -0.175 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.863 1.546 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.025 1.682 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.531 0.961 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -5.944 -0.654 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.576 -1.324 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.434 -2.123 3.225 1.00 0.00 H new ATOM 713 N ARG A 831 -6.856 -4.025 1.854 1.00 0.00 N ATOM 714 CA ARG A 831 -6.683 -5.250 2.626 1.00 0.00 C ATOM 715 C ARG A 831 -5.581 -5.085 3.668 1.00 0.00 C ATOM 716 O ARG A 831 -4.612 -4.355 3.452 1.00 0.00 O ATOM 717 CB ARG A 831 -6.351 -6.420 1.697 1.00 0.00 C ATOM 718 CG ARG A 831 -6.020 -7.707 2.434 1.00 0.00 C ATOM 719 CD ARG A 831 -6.147 -8.919 1.524 1.00 0.00 C ATOM 720 NE ARG A 831 -5.083 -8.966 0.525 1.00 0.00 N ATOM 721 CZ ARG A 831 -4.958 -9.940 -0.370 1.00 0.00 C ATOM 722 NH1 ARG A 831 -5.827 -10.942 -0.391 1.00 0.00 N ATOM 723 NH2 ARG A 831 -3.963 -9.913 -1.247 1.00 0.00 N ATOM 0 H ARG A 831 -5.994 -3.650 1.458 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.619 -5.460 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -7.198 -6.598 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.505 -6.144 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -5.005 -7.651 2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -6.688 -7.820 3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -6.121 -9.828 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -7.115 -8.896 1.023 1.00 0.00 H new ATOM 0 HE ARG A 831 -4.398 -8.210 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -6.594 -10.966 0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -5.728 -11.688 -1.079 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -3.293 -9.144 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -3.868 -10.661 -1.934 1.00 0.00 H new ATOM 737 N LEU A 832 -5.734 -5.767 4.797 1.00 0.00 N ATOM 738 CA LEU A 832 -4.752 -5.697 5.873 1.00 0.00 C ATOM 739 C LEU A 832 -4.089 -7.052 6.095 1.00 0.00 C ATOM 740 O LEU A 832 -4.764 -8.058 6.314 1.00 0.00 O ATOM 741 CB LEU A 832 -5.418 -5.224 7.167 1.00 0.00 C ATOM 742 CG LEU A 832 -6.341 -4.011 7.043 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.250 -3.906 8.257 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.526 -2.737 6.873 1.00 0.00 C ATOM 0 H LEU A 832 -6.529 -6.375 4.991 1.00 0.00 H new ATOM 0 HA LEU A 832 -3.983 -4.981 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -5.994 -6.053 7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.636 -4.988 7.889 1.00 0.00 H new ATOM 0 HG LEU A 832 -6.964 -4.141 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.900 -3.037 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.859 -4.807 8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.644 -3.799 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.199 -1.884 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.878 -2.602 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.917 -2.812 5.972 1.00 0.00 H new ATOM 756 N VAL A 833 -2.761 -7.071 6.039 1.00 0.00 N ATOM 757 CA VAL A 833 -2.005 -8.302 6.237 1.00 0.00 C ATOM 758 C VAL A 833 -1.983 -8.703 7.708 1.00 0.00 C ATOM 759 O VAL A 833 -1.024 -8.421 8.426 1.00 0.00 O ATOM 760 CB VAL A 833 -0.556 -8.158 5.734 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.207 -9.460 5.923 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.539 -7.728 4.275 1.00 0.00 C ATOM 0 H VAL A 833 -2.187 -6.248 5.858 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.507 -9.078 5.659 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.061 -7.386 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.228 -9.339 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.225 -9.721 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.284 -10.255 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.492 -7.631 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -1.051 -8.476 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.046 -6.769 4.173 1.00 0.00 H new ATOM 772 N THR A 834 -3.048 -9.365 8.151 1.00 0.00 N ATOM 773 CA THR A 834 -3.152 -9.805 9.536 1.00 0.00 C ATOM 774 C THR A 834 -2.582 -11.208 9.712 1.00 0.00 C ATOM 775 O THR A 834 -2.120 -11.825 8.753 1.00 0.00 O ATOM 776 CB THR A 834 -4.614 -9.793 10.021 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.423 -10.599 9.158 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.161 -8.373 10.057 1.00 0.00 C ATOM 0 H THR A 834 -3.850 -9.608 7.570 1.00 0.00 H new ATOM 0 HA THR A 834 -2.572 -9.103 10.135 1.00 0.00 H new ATOM 0 HB THR A 834 -4.642 -10.202 11.031 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.364 -10.347 9.262 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.195 -8.390 10.402 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.561 -7.769 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.120 -7.942 9.057 1.00 0.00 H new ATOM 786 N ASN A 835 -2.619 -11.707 10.943 1.00 0.00 N ATOM 787 CA ASN A 835 -2.106 -13.038 11.244 1.00 0.00 C ATOM 788 C ASN A 835 -3.232 -14.068 11.246 1.00 0.00 C ATOM 789 O ASN A 835 -4.404 -13.721 11.095 1.00 0.00 O ATOM 790 CB ASN A 835 -1.396 -13.040 12.599 1.00 0.00 C ATOM 791 CG ASN A 835 -2.342 -13.334 13.747 1.00 0.00 C ATOM 792 OD1 ASN A 835 -3.549 -13.118 13.642 1.00 0.00 O ATOM 793 ND2 ASN A 835 -1.796 -13.829 14.852 1.00 0.00 N ATOM 0 H ASN A 835 -2.999 -11.209 11.748 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.391 -13.308 10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.600 -13.785 12.588 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.924 -12.071 12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.383 -14.046 15.658 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.790 -13.992 14.895 1.00 0.00 H new ATOM 800 N ARG A 836 -2.868 -15.334 11.420 1.00 0.00 N ATOM 801 CA ARG A 836 -3.848 -16.414 11.441 1.00 0.00 C ATOM 802 C ARG A 836 -5.101 -15.996 12.205 1.00 0.00 C ATOM 803 O ARG A 836 -6.221 -16.267 11.774 1.00 0.00 O ATOM 804 CB ARG A 836 -3.243 -17.666 12.079 1.00 0.00 C ATOM 805 CG ARG A 836 -4.031 -18.935 11.795 1.00 0.00 C ATOM 806 CD ARG A 836 -3.245 -20.177 12.184 1.00 0.00 C ATOM 807 NE ARG A 836 -3.027 -20.258 13.626 1.00 0.00 N ATOM 808 CZ ARG A 836 -2.569 -21.343 14.240 1.00 0.00 C ATOM 809 NH1 ARG A 836 -2.281 -22.433 13.542 1.00 0.00 N ATOM 810 NH2 ARG A 836 -2.397 -21.339 15.556 1.00 0.00 N ATOM 0 H ARG A 836 -1.903 -15.637 11.548 1.00 0.00 H new ATOM 0 HA ARG A 836 -4.129 -16.637 10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.223 -17.792 11.715 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -3.181 -17.520 13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -4.972 -18.911 12.345 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -4.282 -18.979 10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -3.781 -21.065 11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -2.283 -20.172 11.672 1.00 0.00 H new ATOM 0 HE ARG A 836 -3.238 -19.436 14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -2.411 -22.440 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -1.929 -23.265 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -2.617 -20.502 16.096 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -2.045 -22.173 16.027 1.00 0.00 H new ATOM 824 N ALA A 837 -4.903 -15.335 13.340 1.00 0.00 N ATOM 825 CA ALA A 837 -6.017 -14.879 14.163 1.00 0.00 C ATOM 826 C ALA A 837 -6.458 -13.476 13.759 1.00 0.00 C ATOM 827 O ALA A 837 -6.866 -12.677 14.601 1.00 0.00 O ATOM 828 CB ALA A 837 -5.634 -14.911 15.635 1.00 0.00 C ATOM 0 H ALA A 837 -3.982 -15.103 13.711 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.856 -15.556 14.003 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -6.475 -14.568 16.237 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -5.374 -15.930 15.921 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.778 -14.258 15.802 1.00 0.00 H new ATOM 834 N GLY A 838 -6.373 -13.182 12.465 1.00 0.00 N ATOM 835 CA GLY A 838 -6.766 -11.875 11.974 1.00 0.00 C ATOM 836 C GLY A 838 -6.283 -10.750 12.868 1.00 0.00 C ATOM 837 O GLY A 838 -7.014 -9.793 13.125 1.00 0.00 O ATOM 0 H GLY A 838 -6.039 -13.826 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.368 -11.733 10.969 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.852 -11.831 11.895 1.00 0.00 H new ATOM 841 N LYS A 839 -5.048 -10.864 13.344 1.00 0.00 N ATOM 842 CA LYS A 839 -4.467 -9.849 14.215 1.00 0.00 C ATOM 843 C LYS A 839 -3.664 -8.834 13.408 1.00 0.00 C ATOM 844 O LYS A 839 -3.011 -9.168 12.419 1.00 0.00 O ATOM 845 CB LYS A 839 -3.570 -10.504 15.268 1.00 0.00 C ATOM 846 CG LYS A 839 -4.333 -11.322 16.295 1.00 0.00 C ATOM 847 CD LYS A 839 -4.739 -10.477 17.491 1.00 0.00 C ATOM 848 CE LYS A 839 -5.912 -11.093 18.237 1.00 0.00 C ATOM 849 NZ LYS A 839 -6.175 -10.399 19.528 1.00 0.00 N ATOM 0 H LYS A 839 -4.430 -11.649 13.141 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.282 -9.326 14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.847 -11.148 14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.003 -9.729 15.783 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.222 -11.750 15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.715 -12.155 16.630 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -3.891 -10.372 18.168 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.006 -9.475 17.156 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -6.804 -11.048 17.612 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -5.709 -12.147 18.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -6.982 -10.849 20.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -5.333 -10.464 20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -6.394 -9.399 19.346 1.00 0.00 H new ATOM 863 N PRO A 840 -3.711 -7.564 13.839 1.00 0.00 N ATOM 864 CA PRO A 840 -2.993 -6.475 13.171 1.00 0.00 C ATOM 865 C PRO A 840 -1.482 -6.582 13.349 1.00 0.00 C ATOM 866 O PRO A 840 -0.971 -6.505 14.467 1.00 0.00 O ATOM 867 CB PRO A 840 -3.525 -5.220 13.867 1.00 0.00 C ATOM 868 CG PRO A 840 -3.970 -5.690 15.209 1.00 0.00 C ATOM 869 CD PRO A 840 -4.470 -7.094 15.010 1.00 0.00 C ATOM 0 HA PRO A 840 -3.154 -6.482 12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.752 -4.456 13.951 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.350 -4.778 13.309 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.147 -5.666 15.924 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.756 -5.048 15.607 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.283 -7.715 15.886 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.544 -7.116 14.828 1.00 0.00 H new ATOM 877 N LYS A 841 -0.771 -6.761 12.241 1.00 0.00 N ATOM 878 CA LYS A 841 0.682 -6.877 12.274 1.00 0.00 C ATOM 879 C LYS A 841 1.342 -5.557 11.888 1.00 0.00 C ATOM 880 O LYS A 841 2.562 -5.417 11.966 1.00 0.00 O ATOM 881 CB LYS A 841 1.146 -7.987 11.328 1.00 0.00 C ATOM 882 CG LYS A 841 0.816 -9.385 11.822 1.00 0.00 C ATOM 883 CD LYS A 841 0.675 -10.365 10.670 1.00 0.00 C ATOM 884 CE LYS A 841 2.012 -10.630 9.996 1.00 0.00 C ATOM 885 NZ LYS A 841 1.943 -11.789 9.063 1.00 0.00 N ATOM 0 H LYS A 841 -1.178 -6.829 11.308 1.00 0.00 H new ATOM 0 HA LYS A 841 0.979 -7.127 13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.685 -7.837 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.224 -7.906 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.600 -9.727 12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.111 -9.360 12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.260 -11.303 11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -0.030 -9.969 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.325 -9.741 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.770 -10.820 10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.874 -11.937 8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.669 -12.643 9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.238 -11.598 8.323 1.00 0.00 H new ATOM 899 N GLY A 842 0.527 -4.592 11.474 1.00 0.00 N ATOM 900 CA GLY A 842 1.051 -3.295 11.085 1.00 0.00 C ATOM 901 C GLY A 842 1.066 -3.104 9.581 1.00 0.00 C ATOM 902 O GLY A 842 0.862 -1.995 9.087 1.00 0.00 O ATOM 0 H GLY A 842 -0.486 -4.685 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.448 -2.511 11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.064 -3.184 11.472 1.00 0.00 H new ATOM 906 N LEU A 843 1.311 -4.187 8.851 1.00 0.00 N ATOM 907 CA LEU A 843 1.353 -4.133 7.394 1.00 0.00 C ATOM 908 C LEU A 843 -0.046 -3.952 6.814 1.00 0.00 C ATOM 909 O LEU A 843 -1.030 -4.426 7.381 1.00 0.00 O ATOM 910 CB LEU A 843 1.987 -5.408 6.836 1.00 0.00 C ATOM 911 CG LEU A 843 3.410 -5.712 7.306 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.771 -7.161 7.016 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.404 -4.770 6.643 1.00 0.00 C ATOM 0 H LEU A 843 1.483 -5.112 9.244 1.00 0.00 H new ATOM 0 HA LEU A 843 1.959 -3.275 7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.350 -6.252 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 843 1.992 -5.341 5.748 1.00 0.00 H new ATOM 0 HG LEU A 843 3.456 -5.557 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.787 -7.358 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.078 -7.820 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.707 -7.344 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.411 -5.001 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.355 -4.893 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.158 -3.740 6.903 1.00 0.00 H new ATOM 925 N ALA A 844 -0.126 -3.264 5.680 1.00 0.00 N ATOM 926 CA ALA A 844 -1.404 -3.023 5.021 1.00 0.00 C ATOM 927 C ALA A 844 -1.214 -2.778 3.528 1.00 0.00 C ATOM 928 O ALA A 844 -0.235 -2.160 3.110 1.00 0.00 O ATOM 929 CB ALA A 844 -2.116 -1.843 5.666 1.00 0.00 C ATOM 0 H ALA A 844 0.679 -2.864 5.198 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.020 -3.914 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.069 -1.674 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.294 -2.057 6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.496 -0.951 5.577 1.00 0.00 H new ATOM 935 N TYR A 845 -2.156 -3.267 2.729 1.00 0.00 N ATOM 936 CA TYR A 845 -2.090 -3.103 1.282 1.00 0.00 C ATOM 937 C TYR A 845 -3.234 -2.227 0.780 1.00 0.00 C ATOM 938 O TYR A 845 -4.377 -2.367 1.216 1.00 0.00 O ATOM 939 CB TYR A 845 -2.137 -4.467 0.591 1.00 0.00 C ATOM 940 CG TYR A 845 -0.783 -5.126 0.461 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.195 -5.770 1.543 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.092 -5.107 -0.745 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.043 -6.373 1.428 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.145 -5.709 -0.869 1.00 0.00 C ATOM 945 CZ TYR A 845 1.709 -6.340 0.221 1.00 0.00 C ATOM 946 OH TYR A 845 2.941 -6.941 0.102 1.00 0.00 O ATOM 0 H TYR A 845 -2.974 -3.780 3.059 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.147 -2.612 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.800 -5.126 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.570 -4.347 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.714 -5.800 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.530 -4.613 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.487 -6.868 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.668 -5.686 -1.814 1.00 0.00 H new ATOM 0 HH TYR A 845 3.273 -6.828 -0.813 1.00 0.00 H new ATOM 956 N VAL A 846 -2.918 -1.322 -0.141 1.00 0.00 N ATOM 957 CA VAL A 846 -3.918 -0.423 -0.704 1.00 0.00 C ATOM 958 C VAL A 846 -4.046 -0.619 -2.211 1.00 0.00 C ATOM 959 O VAL A 846 -3.081 -0.981 -2.883 1.00 0.00 O ATOM 960 CB VAL A 846 -3.574 1.051 -0.417 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.644 1.970 -0.986 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.406 1.276 1.078 1.00 0.00 C ATOM 0 H VAL A 846 -1.977 -1.192 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.867 -0.666 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.629 1.288 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.384 3.007 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.711 1.826 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.605 1.736 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.163 2.322 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.334 1.022 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.600 0.645 1.453 1.00 0.00 H new ATOM 972 N GLU A 847 -5.244 -0.376 -2.734 1.00 0.00 N ATOM 973 CA GLU A 847 -5.497 -0.526 -4.162 1.00 0.00 C ATOM 974 C GLU A 847 -6.259 0.678 -4.709 1.00 0.00 C ATOM 975 O GLU A 847 -7.476 0.779 -4.555 1.00 0.00 O ATOM 976 CB GLU A 847 -6.289 -1.808 -4.430 1.00 0.00 C ATOM 977 CG GLU A 847 -6.029 -2.408 -5.802 1.00 0.00 C ATOM 978 CD GLU A 847 -6.979 -1.880 -6.859 1.00 0.00 C ATOM 979 OE1 GLU A 847 -8.152 -2.308 -6.869 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.550 -1.039 -7.676 1.00 0.00 O ATOM 0 H GLU A 847 -6.053 -0.075 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.535 -0.588 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -6.040 -2.545 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.353 -1.595 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.003 -2.192 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -6.122 -3.492 -5.744 1.00 0.00 H new ATOM 987 N TYR A 848 -5.533 1.589 -5.348 1.00 0.00 N ATOM 988 CA TYR A 848 -6.138 2.788 -5.916 1.00 0.00 C ATOM 989 C TYR A 848 -6.744 2.496 -7.285 1.00 0.00 C ATOM 990 O TYR A 848 -6.738 1.356 -7.748 1.00 0.00 O ATOM 991 CB TYR A 848 -5.098 3.903 -6.033 1.00 0.00 C ATOM 992 CG TYR A 848 -4.930 4.711 -4.766 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.302 4.169 -3.652 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.401 6.015 -4.683 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.147 4.903 -2.492 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.250 6.757 -3.528 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.622 6.197 -2.435 1.00 0.00 C ATOM 998 OH TYR A 848 -4.471 6.932 -1.282 1.00 0.00 O ATOM 0 H TYR A 848 -4.525 1.520 -5.486 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.935 3.113 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.137 3.465 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.384 4.572 -6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.929 3.156 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -5.894 6.456 -5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.657 4.466 -1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -5.622 7.770 -3.481 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.339 7.297 -1.011 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.268 3.536 -7.927 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.878 3.392 -9.243 1.00 0.00 C ATOM 1010 C GLU A 849 -6.852 3.626 -10.348 1.00 0.00 C ATOM 1011 O GLU A 849 -6.800 2.885 -11.329 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.044 4.371 -9.399 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.881 4.127 -10.644 1.00 0.00 C ATOM 1014 CD GLU A 849 -11.317 4.585 -10.480 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -11.562 5.486 -9.650 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -12.196 4.043 -11.181 1.00 0.00 O ATOM 0 H GLU A 849 -7.282 4.486 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.254 2.373 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.686 4.302 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.652 5.388 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.431 4.650 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -9.868 3.064 -10.884 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.037 4.662 -10.180 1.00 0.00 N ATOM 1024 CA ASN A 850 -5.012 4.995 -11.163 1.00 0.00 C ATOM 1025 C ASN A 850 -3.628 5.010 -10.522 1.00 0.00 C ATOM 1026 O ASN A 850 -3.498 4.932 -9.301 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.307 6.356 -11.797 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.780 6.543 -12.107 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -7.436 5.638 -12.623 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.306 7.721 -11.792 1.00 0.00 N ATOM 0 H ASN A 850 -6.066 5.285 -9.373 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.026 4.229 -11.939 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -4.977 7.147 -11.123 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.729 6.459 -12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.292 7.905 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.724 8.442 -11.366 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.597 5.111 -11.355 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.222 5.135 -10.869 1.00 0.00 C ATOM 1039 C GLU A 851 -0.890 6.487 -10.244 1.00 0.00 C ATOM 1040 O GLU A 851 -0.225 6.559 -9.211 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.248 4.836 -12.010 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.422 5.747 -13.213 1.00 0.00 C ATOM 1043 CD GLU A 851 0.549 5.427 -14.333 1.00 0.00 C ATOM 1044 OE1 GLU A 851 0.441 4.327 -14.915 1.00 0.00 O ATOM 1045 OE2 GLU A 851 1.418 6.275 -14.627 1.00 0.00 O ATOM 0 H GLU A 851 -2.688 5.177 -12.369 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.121 4.365 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 851 0.773 4.929 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.379 3.801 -12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -1.442 5.659 -13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -0.284 6.783 -12.903 1.00 0.00 H new ATOM 1052 N SER A 852 -1.358 7.557 -10.880 1.00 0.00 N ATOM 1053 CA SER A 852 -1.107 8.908 -10.390 1.00 0.00 C ATOM 1054 C SER A 852 -1.453 9.021 -8.908 1.00 0.00 C ATOM 1055 O SER A 852 -0.611 9.393 -8.091 1.00 0.00 O ATOM 1056 CB SER A 852 -1.920 9.924 -11.195 1.00 0.00 C ATOM 1057 OG SER A 852 -1.691 9.774 -12.585 1.00 0.00 O ATOM 0 H SER A 852 -1.913 7.515 -11.735 1.00 0.00 H new ATOM 0 HA SER A 852 -0.046 9.123 -10.515 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.981 9.796 -10.982 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.653 10.935 -10.886 1.00 0.00 H new ATOM 0 HG SER A 852 -2.223 10.433 -13.077 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.697 8.698 -8.572 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.155 8.764 -7.189 1.00 0.00 C ATOM 1065 C GLN A 853 -2.216 7.994 -6.267 1.00 0.00 C ATOM 1066 O GLN A 853 -1.738 8.528 -5.265 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.574 8.205 -7.072 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.575 8.889 -7.990 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.755 8.001 -8.331 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -6.696 6.781 -8.173 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.838 8.609 -8.802 1.00 0.00 N ATOM 0 H GLN A 853 -3.405 8.388 -9.237 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.158 9.810 -6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.555 7.139 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.912 8.306 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.937 9.800 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.073 9.189 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.844 9.622 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.663 8.062 -9.048 1.00 0.00 H new ATOM 1080 N ALA A 854 -1.954 6.738 -6.611 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.070 5.895 -5.815 1.00 0.00 C ATOM 1082 C ALA A 854 0.227 6.623 -5.480 1.00 0.00 C ATOM 1083 O ALA A 854 0.669 6.628 -4.332 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.775 4.597 -6.551 1.00 0.00 C ATOM 0 H ALA A 854 -2.342 6.281 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.577 5.661 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.114 3.977 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.707 4.062 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.292 4.820 -7.503 1.00 0.00 H new ATOM 1090 N SER A 855 0.833 7.237 -6.491 1.00 0.00 N ATOM 1091 CA SER A 855 2.083 7.965 -6.305 1.00 0.00 C ATOM 1092 C SER A 855 1.925 9.054 -5.248 1.00 0.00 C ATOM 1093 O SER A 855 2.670 9.096 -4.269 1.00 0.00 O ATOM 1094 CB SER A 855 2.540 8.584 -7.627 1.00 0.00 C ATOM 1095 OG SER A 855 3.673 9.414 -7.438 1.00 0.00 O ATOM 0 H SER A 855 0.479 7.245 -7.447 1.00 0.00 H new ATOM 0 HA SER A 855 2.839 7.258 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.779 7.794 -8.339 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.727 9.167 -8.059 1.00 0.00 H new ATOM 0 HG SER A 855 3.946 9.796 -8.298 1.00 0.00 H new ATOM 1101 N GLN A 856 0.951 9.934 -5.456 1.00 0.00 N ATOM 1102 CA GLN A 856 0.695 11.024 -4.522 1.00 0.00 C ATOM 1103 C GLN A 856 0.448 10.489 -3.115 1.00 0.00 C ATOM 1104 O GLN A 856 1.073 10.933 -2.153 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.506 11.850 -4.985 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.541 13.253 -4.402 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.215 14.251 -5.324 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -1.135 14.135 -6.547 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -1.883 15.239 -4.740 1.00 0.00 N ATOM 0 H GLN A 856 0.327 9.914 -6.262 1.00 0.00 H new ATOM 0 HA GLN A 856 1.578 11.663 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.492 11.918 -6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.423 11.328 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.067 13.233 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.478 13.583 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 856 -1.923 15.296 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -2.356 15.941 -5.309 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.469 9.534 -3.004 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.798 8.937 -1.715 1.00 0.00 C ATOM 1120 C ALA A 857 0.461 8.499 -0.975 1.00 0.00 C ATOM 1121 O ALA A 857 0.556 8.634 0.245 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.739 7.757 -1.904 1.00 0.00 C ATOM 0 H ALA A 857 -0.997 9.157 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.299 9.693 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.976 7.321 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.657 8.097 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.259 7.006 -2.531 1.00 0.00 H new ATOM 1128 N VAL A 858 1.427 7.971 -1.722 1.00 0.00 N ATOM 1129 CA VAL A 858 2.681 7.513 -1.137 1.00 0.00 C ATOM 1130 C VAL A 858 3.566 8.690 -0.742 1.00 0.00 C ATOM 1131 O VAL A 858 4.104 8.731 0.364 1.00 0.00 O ATOM 1132 CB VAL A 858 3.456 6.606 -2.111 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.673 6.003 -1.425 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.548 5.516 -2.660 1.00 0.00 C ATOM 0 H VAL A 858 1.364 7.850 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 858 2.424 6.941 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 858 3.804 7.213 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.208 5.365 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.332 6.802 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.351 5.409 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.112 4.884 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.169 4.910 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.712 5.972 -3.190 1.00 0.00 H new ATOM 1144 N MET A 859 3.711 9.646 -1.654 1.00 0.00 N ATOM 1145 CA MET A 859 4.530 10.826 -1.400 1.00 0.00 C ATOM 1146 C MET A 859 4.003 11.605 -0.199 1.00 0.00 C ATOM 1147 O MET A 859 4.709 12.437 0.372 1.00 0.00 O ATOM 1148 CB MET A 859 4.559 11.728 -2.635 1.00 0.00 C ATOM 1149 CG MET A 859 5.692 11.407 -3.596 1.00 0.00 C ATOM 1150 SD MET A 859 7.319 11.635 -2.852 1.00 0.00 S ATOM 1151 CE MET A 859 7.642 13.348 -3.265 1.00 0.00 C ATOM 0 H MET A 859 3.272 9.627 -2.575 1.00 0.00 H new ATOM 0 HA MET A 859 5.544 10.493 -1.178 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.610 11.638 -3.163 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.648 12.766 -2.315 1.00 0.00 H new ATOM 0 HG2 MET A 859 5.594 10.376 -3.936 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.607 12.043 -4.477 1.00 0.00 H new ATOM 0 HE1 MET A 859 8.616 13.640 -2.872 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.637 13.468 -4.348 1.00 0.00 H new ATOM 0 HE3 MET A 859 6.870 13.980 -2.826 1.00 0.00 H new ATOM 1161 N LYS A 860 2.760 11.330 0.179 1.00 0.00 N ATOM 1162 CA LYS A 860 2.138 12.004 1.313 1.00 0.00 C ATOM 1163 C LYS A 860 2.148 11.111 2.549 1.00 0.00 C ATOM 1164 O LYS A 860 2.446 11.566 3.653 1.00 0.00 O ATOM 1165 CB LYS A 860 0.701 12.403 0.970 1.00 0.00 C ATOM 1166 CG LYS A 860 0.605 13.641 0.096 1.00 0.00 C ATOM 1167 CD LYS A 860 -0.677 14.413 0.360 1.00 0.00 C ATOM 1168 CE LYS A 860 -1.082 15.249 -0.844 1.00 0.00 C ATOM 1169 NZ LYS A 860 -0.162 16.401 -1.054 1.00 0.00 N ATOM 0 H LYS A 860 2.163 10.645 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 860 2.716 12.902 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.214 11.571 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.151 12.578 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.464 14.286 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.646 13.350 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.478 13.716 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -0.541 15.062 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.089 14.622 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -2.099 15.617 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -0.472 16.946 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -0.175 17.013 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 0.804 16.050 -1.212 1.00 0.00 H new ATOM 1183 N MET A 861 1.821 9.837 2.356 1.00 0.00 N ATOM 1184 CA MET A 861 1.795 8.880 3.456 1.00 0.00 C ATOM 1185 C MET A 861 3.209 8.547 3.920 1.00 0.00 C ATOM 1186 O MET A 861 3.513 8.611 5.111 1.00 0.00 O ATOM 1187 CB MET A 861 1.070 7.601 3.030 1.00 0.00 C ATOM 1188 CG MET A 861 -0.441 7.753 2.962 1.00 0.00 C ATOM 1189 SD MET A 861 -1.309 6.203 3.267 1.00 0.00 S ATOM 1190 CE MET A 861 -2.833 6.805 3.990 1.00 0.00 C ATOM 0 H MET A 861 1.571 9.444 1.449 1.00 0.00 H new ATOM 0 HA MET A 861 1.257 9.334 4.288 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.440 7.292 2.053 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.316 6.803 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.761 8.494 3.694 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.720 8.134 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.424 5.962 4.347 1.00 0.00 H new ATOM 0 HE2 MET A 861 -2.603 7.467 4.825 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.401 7.353 3.238 1.00 0.00 H new ATOM 1200 N ASP A 862 4.069 8.191 2.972 1.00 0.00 N ATOM 1201 CA ASP A 862 5.452 7.848 3.284 1.00 0.00 C ATOM 1202 C ASP A 862 5.973 8.693 4.442 1.00 0.00 C ATOM 1203 O ASP A 862 6.244 9.882 4.283 1.00 0.00 O ATOM 1204 CB ASP A 862 6.338 8.045 2.053 1.00 0.00 C ATOM 1205 CG ASP A 862 6.655 9.504 1.795 1.00 0.00 C ATOM 1206 OD1 ASP A 862 5.772 10.220 1.278 1.00 0.00 O ATOM 1207 OD2 ASP A 862 7.786 9.931 2.109 1.00 0.00 O ATOM 0 H ASP A 862 3.833 8.132 1.981 1.00 0.00 H new ATOM 0 HA ASP A 862 5.483 6.800 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 862 7.268 7.492 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.840 7.625 1.179 1.00 0.00 H new ATOM 1212 N GLY A 863 6.110 8.069 5.608 1.00 0.00 N ATOM 1213 CA GLY A 863 6.598 8.779 6.776 1.00 0.00 C ATOM 1214 C GLY A 863 5.568 9.735 7.345 1.00 0.00 C ATOM 1215 O GLY A 863 5.876 10.891 7.634 1.00 0.00 O ATOM 0 H GLY A 863 5.892 7.085 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.883 8.059 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.497 9.335 6.510 1.00 0.00 H new ATOM 1219 N MET A 864 4.340 9.252 7.506 1.00 0.00 N ATOM 1220 CA MET A 864 3.261 10.072 8.044 1.00 0.00 C ATOM 1221 C MET A 864 2.979 9.713 9.500 1.00 0.00 C ATOM 1222 O MET A 864 3.265 8.600 9.943 1.00 0.00 O ATOM 1223 CB MET A 864 1.992 9.895 7.208 1.00 0.00 C ATOM 1224 CG MET A 864 1.370 8.514 7.333 1.00 0.00 C ATOM 1225 SD MET A 864 -0.293 8.435 6.639 1.00 0.00 S ATOM 1226 CE MET A 864 -1.185 9.492 7.777 1.00 0.00 C ATOM 0 H MET A 864 4.068 8.297 7.272 1.00 0.00 H new ATOM 0 HA MET A 864 3.574 11.115 8.000 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.260 10.643 7.511 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.227 10.085 6.161 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.005 7.787 6.828 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.334 8.230 8.385 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.101 8.994 8.095 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.562 9.697 8.648 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.436 10.430 7.282 1.00 0.00 H new ATOM 1236 N THR A 865 2.416 10.663 10.241 1.00 0.00 N ATOM 1237 CA THR A 865 2.098 10.447 11.646 1.00 0.00 C ATOM 1238 C THR A 865 0.634 10.061 11.825 1.00 0.00 C ATOM 1239 O THR A 865 -0.262 10.731 11.311 1.00 0.00 O ATOM 1240 CB THR A 865 2.391 11.703 12.488 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.551 12.373 11.981 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.609 11.337 13.949 1.00 0.00 C ATOM 0 H THR A 865 2.171 11.589 9.891 1.00 0.00 H new ATOM 0 HA THR A 865 2.732 9.630 11.991 1.00 0.00 H new ATOM 0 HB THR A 865 1.529 12.367 12.421 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.730 13.171 12.521 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.814 12.240 14.524 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.714 10.853 14.340 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.455 10.655 14.031 1.00 0.00 H new ATOM 1250 N ILE A 866 0.398 8.976 12.556 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.958 8.502 12.804 1.00 0.00 C ATOM 1252 C ILE A 866 -1.127 8.051 14.251 1.00 0.00 C ATOM 1253 O ILE A 866 -0.643 6.988 14.642 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.326 7.336 11.868 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.179 7.761 10.405 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.744 6.861 12.147 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.283 6.611 9.428 1.00 0.00 C ATOM 0 H ILE A 866 1.128 8.409 12.987 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.626 9.340 12.607 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.642 6.508 12.057 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.948 8.497 10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.215 8.253 10.273 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.990 6.037 11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.818 6.524 13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.442 7.682 11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.170 6.986 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.498 5.884 9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.257 6.132 9.532 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.818 8.865 15.042 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.055 8.550 16.445 1.00 0.00 C ATOM 1271 C LYS A 867 -0.738 8.343 17.186 1.00 0.00 C ATOM 1272 O LYS A 867 -0.569 7.361 17.907 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.923 7.296 16.568 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.155 7.319 15.679 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.337 7.963 16.383 1.00 0.00 C ATOM 1276 CE LYS A 867 -5.366 9.468 16.162 1.00 0.00 C ATOM 1277 NZ LYS A 867 -6.144 9.835 14.946 1.00 0.00 N ATOM 0 H LYS A 867 -2.224 9.749 14.734 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.578 9.393 16.897 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.321 6.422 16.318 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -3.236 7.181 17.606 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.934 7.866 14.763 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.414 6.301 15.388 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -6.264 7.523 16.016 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -5.285 7.752 17.451 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -5.803 9.955 17.034 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -4.346 9.841 16.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -6.140 10.869 14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -5.712 9.391 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.124 9.502 15.047 1.00 0.00 H new ATOM 1291 N GLU A 868 0.191 9.277 17.005 1.00 0.00 N ATOM 1292 CA GLU A 868 1.493 9.196 17.657 1.00 0.00 C ATOM 1293 C GLU A 868 2.263 7.967 17.184 1.00 0.00 C ATOM 1294 O GLU A 868 2.799 7.208 17.991 1.00 0.00 O ATOM 1295 CB GLU A 868 1.324 9.152 19.177 1.00 0.00 C ATOM 1296 CG GLU A 868 2.522 9.692 19.939 1.00 0.00 C ATOM 1297 CD GLU A 868 2.509 11.204 20.050 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.427 11.770 20.309 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.581 11.821 19.877 1.00 0.00 O ATOM 0 H GLU A 868 0.066 10.098 16.413 1.00 0.00 H new ATOM 0 HA GLU A 868 2.062 10.085 17.387 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.440 9.727 19.452 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.143 8.122 19.484 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.538 9.258 20.939 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.438 9.376 19.440 1.00 0.00 H new ATOM 1306 N ASN A 869 2.314 7.777 15.870 1.00 0.00 N ATOM 1307 CA ASN A 869 3.018 6.640 15.288 1.00 0.00 C ATOM 1308 C ASN A 869 3.404 6.923 13.839 1.00 0.00 C ATOM 1309 O ASN A 869 2.542 7.041 12.968 1.00 0.00 O ATOM 1310 CB ASN A 869 2.147 5.384 15.360 1.00 0.00 C ATOM 1311 CG ASN A 869 2.957 4.110 15.213 1.00 0.00 C ATOM 1312 OD1 ASN A 869 3.704 3.944 14.249 1.00 0.00 O ATOM 1313 ND2 ASN A 869 2.811 3.203 16.172 1.00 0.00 N ATOM 0 H ASN A 869 1.876 8.396 15.188 1.00 0.00 H new ATOM 0 HA ASN A 869 3.930 6.475 15.862 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.617 5.367 16.312 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.391 5.424 14.575 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.330 2.326 16.128 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.180 3.384 16.953 1.00 0.00 H new ATOM 1320 N ILE A 870 4.705 7.028 13.589 1.00 0.00 N ATOM 1321 CA ILE A 870 5.205 7.295 12.247 1.00 0.00 C ATOM 1322 C ILE A 870 5.152 6.040 11.381 1.00 0.00 C ATOM 1323 O ILE A 870 5.836 5.054 11.657 1.00 0.00 O ATOM 1324 CB ILE A 870 6.652 7.822 12.279 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.668 9.310 12.632 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.333 7.582 10.940 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.136 10.199 11.530 1.00 0.00 C ATOM 0 H ILE A 870 5.431 6.932 14.299 1.00 0.00 H new ATOM 0 HA ILE A 870 4.558 8.059 11.816 1.00 0.00 H new ATOM 0 HB ILE A 870 7.204 7.280 13.047 1.00 0.00 H new ATOM 0 HG12 ILE A 870 6.075 9.468 13.533 1.00 0.00 H new ATOM 0 HG13 ILE A 870 7.690 9.608 12.867 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.355 7.960 10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.349 6.513 10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.784 8.101 10.154 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.177 11.240 11.850 1.00 0.00 H new ATOM 0 HD12 ILE A 870 6.743 10.071 10.634 1.00 0.00 H new ATOM 0 HD13 ILE A 870 5.103 9.928 11.310 1.00 0.00 H new ATOM 1339 N ILE A 871 4.337 6.085 10.333 1.00 0.00 N ATOM 1340 CA ILE A 871 4.197 4.953 9.425 1.00 0.00 C ATOM 1341 C ILE A 871 4.947 5.199 8.120 1.00 0.00 C ATOM 1342 O ILE A 871 5.004 6.326 7.627 1.00 0.00 O ATOM 1343 CB ILE A 871 2.718 4.665 9.108 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.183 5.685 8.100 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.889 4.687 10.383 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.597 5.399 6.674 1.00 0.00 C ATOM 0 H ILE A 871 3.763 6.893 10.091 1.00 0.00 H new ATOM 0 HA ILE A 871 4.626 4.088 9.930 1.00 0.00 H new ATOM 0 HB ILE A 871 2.642 3.671 8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.095 5.704 8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.534 6.678 8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.846 4.482 10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.259 3.927 11.071 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.967 5.668 10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.182 6.162 6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.685 5.409 6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.223 4.420 6.376 1.00 0.00 H new ATOM 1358 N LYS A 872 5.521 4.137 7.565 1.00 0.00 N ATOM 1359 CA LYS A 872 6.265 4.235 6.315 1.00 0.00 C ATOM 1360 C LYS A 872 5.541 3.500 5.191 1.00 0.00 C ATOM 1361 O LYS A 872 4.974 2.428 5.402 1.00 0.00 O ATOM 1362 CB LYS A 872 7.673 3.661 6.490 1.00 0.00 C ATOM 1363 CG LYS A 872 8.689 4.236 5.519 1.00 0.00 C ATOM 1364 CD LYS A 872 9.366 5.473 6.087 1.00 0.00 C ATOM 1365 CE LYS A 872 10.386 6.046 5.115 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.710 7.466 5.426 1.00 0.00 N ATOM 0 H LYS A 872 5.485 3.198 7.962 1.00 0.00 H new ATOM 0 HA LYS A 872 6.339 5.289 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.009 3.850 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.634 2.579 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 872 9.441 3.482 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.195 4.489 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 872 8.614 6.229 6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.858 5.221 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 872 11.297 5.449 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 872 9.999 5.976 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.408 7.821 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 9.845 8.040 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 11.103 7.530 6.387 1.00 0.00 H new ATOM 1380 N VAL A 873 5.565 4.084 3.997 1.00 0.00 N ATOM 1381 CA VAL A 873 4.913 3.483 2.840 1.00 0.00 C ATOM 1382 C VAL A 873 5.920 3.189 1.733 1.00 0.00 C ATOM 1383 O VAL A 873 7.046 3.684 1.757 1.00 0.00 O ATOM 1384 CB VAL A 873 3.806 4.397 2.282 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.918 3.631 1.313 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.984 4.991 3.416 1.00 0.00 C ATOM 0 H VAL A 873 6.029 4.972 3.806 1.00 0.00 H new ATOM 0 HA VAL A 873 4.466 2.548 3.179 1.00 0.00 H new ATOM 0 HB VAL A 873 4.276 5.216 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.142 4.293 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.520 3.259 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.455 2.791 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.206 5.634 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.523 4.188 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.632 5.577 4.067 1.00 0.00 H new ATOM 1396 N ALA A 874 5.505 2.379 0.764 1.00 0.00 N ATOM 1397 CA ALA A 874 6.370 2.021 -0.353 1.00 0.00 C ATOM 1398 C ALA A 874 5.554 1.513 -1.538 1.00 0.00 C ATOM 1399 O ALA A 874 4.450 0.995 -1.367 1.00 0.00 O ATOM 1400 CB ALA A 874 7.384 0.972 0.079 1.00 0.00 C ATOM 0 H ALA A 874 4.576 1.959 0.730 1.00 0.00 H new ATOM 0 HA ALA A 874 6.903 2.918 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.023 0.714 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 874 7.996 1.369 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.861 0.080 0.423 1.00 0.00 H new ATOM 1406 N ILE A 875 6.104 1.666 -2.738 1.00 0.00 N ATOM 1407 CA ILE A 875 5.426 1.223 -3.950 1.00 0.00 C ATOM 1408 C ILE A 875 5.463 -0.296 -4.076 1.00 0.00 C ATOM 1409 O ILE A 875 6.531 -0.892 -4.216 1.00 0.00 O ATOM 1410 CB ILE A 875 6.058 1.847 -5.208 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.987 3.374 -5.138 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.362 1.335 -6.460 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.576 3.908 -5.029 1.00 0.00 C ATOM 0 H ILE A 875 7.017 2.093 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 875 4.390 1.554 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 875 7.107 1.553 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.564 3.718 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.458 3.793 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.820 1.785 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.461 0.251 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.306 1.602 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.602 4.997 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.000 3.594 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.108 3.518 -4.125 1.00 0.00 H new ATOM 1425 N SER A 876 4.289 -0.917 -4.027 1.00 0.00 N ATOM 1426 CA SER A 876 4.187 -2.368 -4.134 1.00 0.00 C ATOM 1427 C SER A 876 5.218 -2.914 -5.116 1.00 0.00 C ATOM 1428 O SER A 876 5.203 -2.578 -6.300 1.00 0.00 O ATOM 1429 CB SER A 876 2.779 -2.770 -4.578 1.00 0.00 C ATOM 1430 OG SER A 876 2.667 -4.176 -4.709 1.00 0.00 O ATOM 0 H SER A 876 3.395 -0.438 -3.914 1.00 0.00 H new ATOM 0 HA SER A 876 4.386 -2.795 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.049 -2.410 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.545 -2.293 -5.530 1.00 0.00 H new ATOM 0 HG SER A 876 1.758 -4.407 -4.992 1.00 0.00 H new ATOM 1436 N ASN A 877 6.113 -3.760 -4.616 1.00 0.00 N ATOM 1437 CA ASN A 877 7.153 -4.354 -5.449 1.00 0.00 C ATOM 1438 C ASN A 877 7.805 -5.538 -4.742 1.00 0.00 C ATOM 1439 O ASN A 877 7.832 -5.604 -3.513 1.00 0.00 O ATOM 1440 CB ASN A 877 8.213 -3.308 -5.799 1.00 0.00 C ATOM 1441 CG ASN A 877 9.239 -3.132 -4.696 1.00 0.00 C ATOM 1442 OD1 ASN A 877 8.892 -2.834 -3.553 1.00 0.00 O ATOM 1443 ND2 ASN A 877 10.509 -3.316 -5.035 1.00 0.00 N ATOM 0 H ASN A 877 6.139 -4.050 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 877 6.688 -4.713 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 877 8.719 -3.601 -6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 877 7.726 -2.353 -5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 877 11.244 -3.211 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 877 10.750 -3.562 -5.995 1.00 0.00 H new ATOM 1450 N SER A 878 8.330 -6.473 -5.528 1.00 0.00 N ATOM 1451 CA SER A 878 8.979 -7.657 -4.979 1.00 0.00 C ATOM 1452 C SER A 878 9.757 -8.401 -6.060 1.00 0.00 C ATOM 1453 O SER A 878 9.603 -8.129 -7.250 1.00 0.00 O ATOM 1454 CB SER A 878 7.941 -8.588 -4.349 1.00 0.00 C ATOM 1455 OG SER A 878 7.385 -8.015 -3.179 1.00 0.00 O ATOM 0 H SER A 878 8.318 -6.433 -6.547 1.00 0.00 H new ATOM 0 HA SER A 878 9.680 -7.333 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 878 7.149 -8.794 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 878 8.406 -9.543 -4.104 1.00 0.00 H new ATOM 0 HG SER A 878 7.838 -7.168 -2.982 1.00 0.00 H new ATOM 1461 N GLY A 879 10.594 -9.344 -5.636 1.00 0.00 N ATOM 1462 CA GLY A 879 11.384 -10.113 -6.579 1.00 0.00 C ATOM 1463 C GLY A 879 11.893 -11.411 -5.986 1.00 0.00 C ATOM 1464 O GLY A 879 11.200 -12.429 -5.977 1.00 0.00 O ATOM 0 H GLY A 879 10.739 -9.588 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 879 10.781 -10.332 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 879 12.231 -9.513 -6.913 1.00 0.00 H new ATOM 1468 N PRO A 880 13.134 -11.387 -5.476 1.00 0.00 N ATOM 1469 CA PRO A 880 13.763 -12.564 -4.869 1.00 0.00 C ATOM 1470 C PRO A 880 13.119 -12.946 -3.541 1.00 0.00 C ATOM 1471 O PRO A 880 12.872 -12.090 -2.691 1.00 0.00 O ATOM 1472 CB PRO A 880 15.212 -12.119 -4.652 1.00 0.00 C ATOM 1473 CG PRO A 880 15.141 -10.635 -4.548 1.00 0.00 C ATOM 1474 CD PRO A 880 14.017 -10.209 -5.452 1.00 0.00 C ATOM 0 HA PRO A 880 13.663 -13.449 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 880 15.630 -12.560 -3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 880 15.849 -12.428 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 880 14.954 -10.324 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 880 16.082 -10.177 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 880 13.503 -9.329 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 880 14.377 -9.956 -6.449 1.00 0.00 H new ATOM 1482 N SER A 881 12.850 -14.236 -3.368 1.00 0.00 N ATOM 1483 CA SER A 881 12.231 -14.731 -2.144 1.00 0.00 C ATOM 1484 C SER A 881 13.286 -15.263 -1.179 1.00 0.00 C ATOM 1485 O SER A 881 13.247 -14.981 0.019 1.00 0.00 O ATOM 1486 CB SER A 881 11.218 -15.830 -2.468 1.00 0.00 C ATOM 1487 OG SER A 881 11.865 -16.991 -2.959 1.00 0.00 O ATOM 0 H SER A 881 13.051 -14.958 -4.060 1.00 0.00 H new ATOM 0 HA SER A 881 11.713 -13.900 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 881 10.648 -16.079 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 881 10.506 -15.466 -3.209 1.00 0.00 H new ATOM 0 HG SER A 881 11.196 -17.679 -3.157 1.00 0.00 H new ATOM 1493 N SER A 882 14.229 -16.036 -1.710 1.00 0.00 N ATOM 1494 CA SER A 882 15.293 -16.612 -0.896 1.00 0.00 C ATOM 1495 C SER A 882 16.464 -15.643 -0.768 1.00 0.00 C ATOM 1496 O SER A 882 16.959 -15.114 -1.763 1.00 0.00 O ATOM 1497 CB SER A 882 15.772 -17.931 -1.505 1.00 0.00 C ATOM 1498 OG SER A 882 14.953 -19.011 -1.091 1.00 0.00 O ATOM 0 H SER A 882 14.277 -16.277 -2.700 1.00 0.00 H new ATOM 0 HA SER A 882 14.892 -16.804 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 882 15.761 -17.858 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 882 16.804 -18.119 -1.208 1.00 0.00 H new ATOM 0 HG SER A 882 15.279 -19.842 -1.495 1.00 0.00 H new ATOM 1504 N GLY A 883 16.903 -15.414 0.466 1.00 0.00 N ATOM 1505 CA GLY A 883 18.012 -14.509 0.703 1.00 0.00 C ATOM 1506 C GLY A 883 19.193 -15.199 1.357 1.00 0.00 C ATOM 1507 O GLY A 883 20.323 -14.717 1.278 1.00 0.00 O ATOM 0 H GLY A 883 16.510 -15.839 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 883 18.329 -14.072 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 883 17.678 -13.688 1.337 1.00 0.00 H new TER 1511 GLY A 883