USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 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 786 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 841 TYR OH : rot 15:sc= -0.694 USER MOD Single : A 783 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 180:sc= 0 USER MOD Single : A 799 SER OG : rot 66:sc= -1.68! USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0641) USER MOD Single : A 810 LYS NZ :NH3+ 167:sc= -2.15! (180deg=-2.49!) USER MOD Single : A 813 ASN :FLIP amide:sc= -0.0448 F(o=-0.92,f=-0.045) USER MOD Single : A 814 LYS NZ :NH3+ -167:sc= -2.04! (180deg=-2.62!) USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3.1!) USER MOD Single : A 818 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 826 TYR OH : rot 124:sc= 1.13 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.381 K(o=-0.38,f=-4.1!) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 SER OG : rot -37:sc= 1.85 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 180:sc= 0.0476 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 -1.759 6.567 -13.907 1.00 72.13 N ATOM 2 CA GLY A 780 -2.303 6.624 -12.561 1.00 2.01 C ATOM 3 C GLY A 780 -1.646 7.744 -11.752 1.00 0.05 C ATOM 4 O GLY A 780 -0.723 8.401 -12.230 1.00 0.41 O ATOM 0 HA2 GLY A 780 -3.380 6.787 -12.607 1.00 2.01 H new ATOM 0 HA3 GLY A 780 -2.146 5.669 -12.061 1.00 2.01 H new ATOM 8 N PRO A 781 -2.161 7.932 -10.507 1.00 31.21 N ATOM 9 CA PRO A 781 -1.635 8.961 -9.627 1.00 23.15 C ATOM 10 C PRO A 781 -0.284 8.544 -9.042 1.00 65.01 C ATOM 11 O PRO A 781 0.138 7.399 -9.199 1.00 10.12 O ATOM 12 CB PRO A 781 -2.706 9.157 -8.566 1.00 23.21 C ATOM 13 CG PRO A 781 -3.579 7.914 -8.620 1.00 64.44 C ATOM 14 CD PRO A 781 -3.254 7.172 -9.907 1.00 52.31 C ATOM 0 HA PRO A 781 -1.433 9.897 -10.148 1.00 23.15 H new ATOM 0 HB2 PRO A 781 -2.260 9.278 -7.579 1.00 23.21 H new ATOM 0 HB3 PRO A 781 -3.292 10.055 -8.764 1.00 23.21 H new ATOM 0 HG2 PRO A 781 -3.392 7.278 -7.755 1.00 64.44 H new ATOM 0 HG3 PRO A 781 -4.634 8.187 -8.593 1.00 64.44 H new ATOM 0 HD2 PRO A 781 -2.957 6.143 -9.706 1.00 52.31 H new ATOM 0 HD3 PRO A 781 -4.118 7.131 -10.570 1.00 52.31 H new ATOM 22 N GLY A 782 0.358 9.496 -8.380 1.00 71.24 N ATOM 23 CA GLY A 782 1.653 9.242 -7.772 1.00 34.24 C ATOM 24 C GLY A 782 1.537 9.166 -6.248 1.00 13.52 C ATOM 25 O GLY A 782 1.209 10.157 -5.597 1.00 14.21 O ATOM 0 H GLY A 782 0.005 10.444 -8.252 1.00 71.24 H new ATOM 0 HA2 GLY A 782 2.062 8.308 -8.156 1.00 34.24 H new ATOM 0 HA3 GLY A 782 2.350 10.033 -8.048 1.00 34.24 H new ATOM 29 N THR A 783 1.812 7.981 -5.723 1.00 45.52 N ATOM 30 CA THR A 783 1.743 7.764 -4.288 1.00 62.12 C ATOM 31 C THR A 783 2.446 8.900 -3.542 1.00 72.11 C ATOM 32 O THR A 783 2.065 9.241 -2.423 1.00 44.23 O ATOM 33 CB THR A 783 2.334 6.384 -3.990 1.00 40.42 C ATOM 34 OG1 THR A 783 1.661 5.515 -4.897 1.00 12.23 O ATOM 35 CG2 THR A 783 1.935 5.863 -2.608 1.00 63.32 C ATOM 0 H THR A 783 2.083 7.161 -6.266 1.00 45.52 H new ATOM 0 HA THR A 783 0.712 7.775 -3.935 1.00 62.12 H new ATOM 0 HB THR A 783 3.421 6.431 -4.060 1.00 40.42 H new ATOM 0 HG1 THR A 783 1.985 4.598 -4.773 1.00 12.23 H new ATOM 0 HG21 THR A 783 2.380 4.881 -2.447 1.00 63.32 H new ATOM 0 HG22 THR A 783 2.290 6.553 -1.843 1.00 63.32 H new ATOM 0 HG23 THR A 783 0.850 5.783 -2.549 1.00 63.32 H new ATOM 43 N PHE A 784 3.459 9.454 -4.192 1.00 13.12 N ATOM 44 CA PHE A 784 4.218 10.545 -3.604 1.00 20.41 C ATOM 45 C PHE A 784 3.956 11.857 -4.345 1.00 42.22 C ATOM 46 O PHE A 784 3.340 12.771 -3.799 1.00 22.24 O ATOM 47 CB PHE A 784 5.698 10.183 -3.739 1.00 64.31 C ATOM 48 CG PHE A 784 6.161 9.086 -2.778 1.00 61.32 C ATOM 49 CD1 PHE A 784 5.683 7.819 -2.911 1.00 11.52 C ATOM 50 CD2 PHE A 784 7.051 9.377 -1.791 1.00 74.24 C ATOM 51 CE1 PHE A 784 6.112 6.801 -2.019 1.00 45.30 C ATOM 52 CE2 PHE A 784 7.480 8.359 -0.900 1.00 21.33 C ATOM 53 CZ PHE A 784 7.002 7.092 -1.032 1.00 40.43 C ATOM 0 H PHE A 784 3.772 9.168 -5.120 1.00 13.12 H new ATOM 0 HA PHE A 784 3.926 10.683 -2.563 1.00 20.41 H new ATOM 0 HB2 PHE A 784 5.891 9.860 -4.762 1.00 64.31 H new ATOM 0 HB3 PHE A 784 6.297 11.077 -3.569 1.00 64.31 H new ATOM 0 HD1 PHE A 784 4.977 7.588 -3.695 1.00 11.52 H new ATOM 0 HD2 PHE A 784 7.431 10.382 -1.686 1.00 74.24 H new ATOM 0 HE1 PHE A 784 5.732 5.796 -2.124 1.00 45.30 H new ATOM 0 HE2 PHE A 784 8.186 8.590 -0.117 1.00 21.33 H new ATOM 0 HZ PHE A 784 7.329 6.318 -0.354 1.00 40.43 H new ATOM 63 N GLY A 785 4.437 11.909 -5.579 1.00 4.24 N ATOM 64 CA GLY A 785 4.263 13.095 -6.401 1.00 21.35 C ATOM 65 C GLY A 785 5.147 13.032 -7.648 1.00 31.21 C ATOM 66 O GLY A 785 4.864 12.276 -8.576 1.00 52.02 O ATOM 0 H GLY A 785 4.947 11.149 -6.029 1.00 4.24 H new ATOM 0 HA2 GLY A 785 3.218 13.187 -6.696 1.00 21.35 H new ATOM 0 HA3 GLY A 785 4.510 13.984 -5.820 1.00 21.35 H new ATOM 70 N THR A 786 6.200 13.836 -7.629 1.00 54.14 N ATOM 71 CA THR A 786 7.127 13.881 -8.747 1.00 54.45 C ATOM 72 C THR A 786 8.534 14.232 -8.260 1.00 33.23 C ATOM 73 O THR A 786 8.750 14.425 -7.064 1.00 61.43 O ATOM 74 CB THR A 786 6.577 14.870 -9.778 1.00 32.04 C ATOM 75 OG1 THR A 786 6.053 15.936 -8.991 1.00 11.14 O ATOM 76 CG2 THR A 786 5.357 14.322 -10.522 1.00 45.42 C ATOM 0 H THR A 786 6.432 14.461 -6.857 1.00 54.14 H new ATOM 0 HA THR A 786 7.216 12.906 -9.225 1.00 54.45 H new ATOM 0 HB THR A 786 7.359 15.118 -10.496 1.00 32.04 H new ATOM 0 HG1 THR A 786 5.677 16.623 -9.580 1.00 11.14 H new ATOM 0 HG21 THR A 786 5.006 15.062 -11.241 1.00 45.42 H new ATOM 0 HG22 THR A 786 5.632 13.408 -11.048 1.00 45.42 H new ATOM 0 HG23 THR A 786 4.563 14.105 -9.808 1.00 45.42 H new ATOM 84 N ALA A 787 9.454 14.303 -9.210 1.00 40.51 N ATOM 85 CA ALA A 787 10.834 14.627 -8.892 1.00 44.22 C ATOM 86 C ALA A 787 11.434 15.456 -10.030 1.00 1.44 C ATOM 87 O ALA A 787 11.592 14.964 -11.146 1.00 31.45 O ATOM 88 CB ALA A 787 11.616 13.337 -8.637 1.00 33.14 C ATOM 0 H ALA A 787 9.271 14.142 -10.200 1.00 40.51 H new ATOM 0 HA ALA A 787 10.887 15.226 -7.983 1.00 44.22 H new ATOM 0 HB1 ALA A 787 12.651 13.580 -8.398 1.00 33.14 H new ATOM 0 HB2 ALA A 787 11.168 12.799 -7.802 1.00 33.14 H new ATOM 0 HB3 ALA A 787 11.587 12.711 -9.529 1.00 33.14 H new ATOM 94 N LYS A 788 11.752 16.702 -9.707 1.00 61.44 N ATOM 95 CA LYS A 788 12.331 17.604 -10.688 1.00 71.13 C ATOM 96 C LYS A 788 13.804 17.247 -10.897 1.00 31.42 C ATOM 97 O LYS A 788 14.610 17.356 -9.974 1.00 14.12 O ATOM 98 CB LYS A 788 12.104 19.060 -10.277 1.00 34.12 C ATOM 99 CG LYS A 788 11.938 19.957 -11.505 1.00 13.31 C ATOM 100 CD LYS A 788 11.090 21.187 -11.175 1.00 15.12 C ATOM 101 CE LYS A 788 11.560 22.407 -11.970 1.00 33.22 C ATOM 102 NZ LYS A 788 10.668 23.562 -11.723 1.00 31.24 N ATOM 0 H LYS A 788 11.620 17.107 -8.780 1.00 61.44 H new ATOM 0 HA LYS A 788 11.835 17.487 -11.651 1.00 71.13 H new ATOM 0 HB2 LYS A 788 11.216 19.130 -9.649 1.00 34.12 H new ATOM 0 HB3 LYS A 788 12.946 19.408 -9.679 1.00 34.12 H new ATOM 0 HG2 LYS A 788 12.918 20.272 -11.865 1.00 13.31 H new ATOM 0 HG3 LYS A 788 11.469 19.393 -12.311 1.00 13.31 H new ATOM 0 HD2 LYS A 788 10.043 20.983 -11.401 1.00 15.12 H new ATOM 0 HD3 LYS A 788 11.150 21.399 -10.108 1.00 15.12 H new ATOM 0 HE2 LYS A 788 12.581 22.662 -11.687 1.00 33.22 H new ATOM 0 HE3 LYS A 788 11.574 22.172 -13.034 1.00 33.22 H new ATOM 0 HZ1 LYS A 788 11.001 24.381 -12.270 1.00 31.24 H new ATOM 0 HZ2 LYS A 788 9.699 23.321 -12.015 1.00 31.24 H new ATOM 0 HZ3 LYS A 788 10.676 23.796 -10.710 1.00 31.24 H new ATOM 115 N ALA A 789 14.111 16.827 -12.115 1.00 62.42 N ATOM 116 CA ALA A 789 15.473 16.453 -12.457 1.00 21.54 C ATOM 117 C ALA A 789 16.409 17.627 -12.163 1.00 32.21 C ATOM 118 O ALA A 789 16.208 18.728 -12.674 1.00 23.35 O ATOM 119 CB ALA A 789 15.530 16.014 -13.921 1.00 62.32 C ATOM 0 H ALA A 789 13.440 16.737 -12.878 1.00 62.42 H new ATOM 0 HA ALA A 789 15.803 15.609 -11.851 1.00 21.54 H new ATOM 0 HB1 ALA A 789 16.552 15.734 -14.177 1.00 62.32 H new ATOM 0 HB2 ALA A 789 14.871 15.159 -14.070 1.00 62.32 H new ATOM 0 HB3 ALA A 789 15.208 16.836 -14.560 1.00 62.32 H new ATOM 125 N ARG A 790 17.411 17.352 -11.341 1.00 0.21 N ATOM 126 CA ARG A 790 18.378 18.372 -10.973 1.00 43.21 C ATOM 127 C ARG A 790 19.654 18.218 -11.804 1.00 10.24 C ATOM 128 O ARG A 790 20.553 19.054 -11.727 1.00 63.22 O ATOM 129 CB ARG A 790 18.732 18.286 -9.487 1.00 72.31 C ATOM 130 CG ARG A 790 17.594 18.830 -8.620 1.00 63.23 C ATOM 131 CD ARG A 790 17.536 20.357 -8.688 1.00 53.23 C ATOM 132 NE ARG A 790 18.866 20.929 -8.383 1.00 63.24 N ATOM 133 CZ ARG A 790 19.239 22.188 -8.696 1.00 53.22 C ATOM 134 NH1 ARG A 790 18.382 23.019 -9.327 1.00 0.43 N ATOM 135 NH2 ARG A 790 20.453 22.595 -8.376 1.00 62.43 N ATOM 0 H ARG A 790 17.574 16.438 -10.919 1.00 0.21 H new ATOM 0 HA ARG A 790 17.926 19.344 -11.171 1.00 43.21 H new ATOM 0 HB2 ARG A 790 18.936 17.250 -9.217 1.00 72.31 H new ATOM 0 HB3 ARG A 790 19.644 18.851 -9.293 1.00 72.31 H new ATOM 0 HG2 ARG A 790 16.645 18.411 -8.954 1.00 63.23 H new ATOM 0 HG3 ARG A 790 17.736 18.513 -7.587 1.00 63.23 H new ATOM 0 HD2 ARG A 790 17.214 20.673 -9.680 1.00 53.23 H new ATOM 0 HD3 ARG A 790 16.798 20.733 -7.979 1.00 53.23 H new ATOM 0 HE ARG A 790 19.544 20.334 -7.906 1.00 63.24 H new ATOM 0 HH11 ARG A 790 17.445 22.697 -9.570 1.00 0.43 H new ATOM 0 HH12 ARG A 790 18.671 23.969 -9.560 1.00 0.43 H new ATOM 0 HH21 ARG A 790 21.094 21.961 -7.899 1.00 62.43 H new ATOM 0 HH22 ARG A 790 20.750 23.543 -8.606 1.00 62.43 H new ATOM 148 N TYR A 791 19.692 17.144 -12.578 1.00 33.20 N ATOM 149 CA TYR A 791 20.842 16.870 -13.422 1.00 23.51 C ATOM 150 C TYR A 791 20.465 15.944 -14.580 1.00 74.02 C ATOM 151 O TYR A 791 19.875 14.886 -14.367 1.00 70.30 O ATOM 152 CB TYR A 791 21.861 16.159 -12.528 1.00 72.12 C ATOM 153 CG TYR A 791 22.216 16.929 -11.255 1.00 40.41 C ATOM 154 CD1 TYR A 791 23.211 17.885 -11.282 1.00 3.11 C ATOM 155 CD2 TYR A 791 21.541 16.669 -10.080 1.00 21.33 C ATOM 156 CE1 TYR A 791 23.546 18.610 -10.084 1.00 14.24 C ATOM 157 CE2 TYR A 791 21.875 17.394 -8.881 1.00 64.14 C ATOM 158 CZ TYR A 791 22.861 18.329 -8.942 1.00 62.24 C ATOM 159 OH TYR A 791 23.177 19.014 -7.811 1.00 30.33 O ATOM 0 H TYR A 791 18.944 16.453 -12.638 1.00 33.20 H new ATOM 0 HA TYR A 791 21.232 17.793 -13.850 1.00 23.51 H new ATOM 0 HB2 TYR A 791 21.466 15.182 -12.251 1.00 72.12 H new ATOM 0 HB3 TYR A 791 22.772 15.984 -13.101 1.00 72.12 H new ATOM 0 HD1 TYR A 791 23.738 18.089 -12.202 1.00 3.11 H new ATOM 0 HD2 TYR A 791 20.762 15.921 -10.059 1.00 21.33 H new ATOM 0 HE1 TYR A 791 24.323 19.360 -10.091 1.00 14.24 H new ATOM 0 HE2 TYR A 791 21.355 17.200 -7.955 1.00 64.14 H new ATOM 0 HH TYR A 791 22.607 18.710 -7.074 1.00 30.33 H new ATOM 169 N ASP A 792 20.820 16.376 -15.781 1.00 51.41 N ATOM 170 CA ASP A 792 20.526 15.600 -16.973 1.00 74.25 C ATOM 171 C ASP A 792 21.221 14.240 -16.876 1.00 11.41 C ATOM 172 O ASP A 792 22.443 14.172 -16.752 1.00 33.43 O ATOM 173 CB ASP A 792 21.039 16.305 -18.230 1.00 64.54 C ATOM 174 CG ASP A 792 22.563 16.358 -18.365 1.00 15.33 C ATOM 175 OD1 ASP A 792 23.291 16.388 -17.362 1.00 44.11 O ATOM 176 OD2 ASP A 792 23.003 16.369 -19.577 1.00 52.43 O ATOM 0 H ASP A 792 21.309 17.254 -15.954 1.00 51.41 H new ATOM 0 HA ASP A 792 19.444 15.484 -17.041 1.00 74.25 H new ATOM 0 HB2 ASP A 792 20.629 15.800 -19.105 1.00 64.54 H new ATOM 0 HB3 ASP A 792 20.653 17.324 -18.240 1.00 64.54 H new ATOM 182 N PHE A 793 20.412 13.192 -16.936 1.00 5.41 N ATOM 183 CA PHE A 793 20.935 11.839 -16.856 1.00 33.21 C ATOM 184 C PHE A 793 20.771 11.108 -18.190 1.00 43.34 C ATOM 185 O PHE A 793 19.652 10.832 -18.618 1.00 35.13 O ATOM 186 CB PHE A 793 20.122 11.108 -15.785 1.00 53.43 C ATOM 187 CG PHE A 793 20.900 10.014 -15.052 1.00 31.01 C ATOM 188 CD1 PHE A 793 22.166 10.255 -14.617 1.00 32.10 C ATOM 189 CD2 PHE A 793 20.326 8.800 -14.835 1.00 52.40 C ATOM 190 CE1 PHE A 793 22.888 9.239 -13.936 1.00 50.34 C ATOM 191 CE2 PHE A 793 21.048 7.785 -14.154 1.00 60.34 C ATOM 192 CZ PHE A 793 22.314 8.026 -13.720 1.00 31.45 C ATOM 0 H PHE A 793 19.399 13.253 -17.039 1.00 5.41 H new ATOM 0 HA PHE A 793 21.998 11.865 -16.614 1.00 33.21 H new ATOM 0 HB2 PHE A 793 19.764 11.835 -15.056 1.00 53.43 H new ATOM 0 HB3 PHE A 793 19.243 10.664 -16.251 1.00 53.43 H new ATOM 0 HD1 PHE A 793 22.622 11.219 -14.789 1.00 32.10 H new ATOM 0 HD2 PHE A 793 19.321 8.608 -15.181 1.00 52.40 H new ATOM 0 HE1 PHE A 793 23.893 9.430 -13.590 1.00 50.34 H new ATOM 0 HE2 PHE A 793 20.592 6.822 -13.981 1.00 60.34 H new ATOM 0 HZ PHE A 793 22.864 7.253 -13.203 1.00 31.45 H new ATOM 202 N CYS A 794 21.905 10.816 -18.811 1.00 53.54 N ATOM 203 CA CYS A 794 21.901 10.123 -20.088 1.00 43.45 C ATOM 204 C CYS A 794 21.747 8.625 -19.821 1.00 63.14 C ATOM 205 O CYS A 794 22.697 7.965 -19.403 1.00 32.53 O ATOM 206 CB CYS A 794 23.160 10.432 -20.903 1.00 35.34 C ATOM 207 SG CYS A 794 23.445 12.239 -20.954 1.00 34.41 S ATOM 0 H CYS A 794 22.832 11.047 -18.454 1.00 53.54 H new ATOM 0 HA CYS A 794 21.063 10.471 -20.691 1.00 43.45 H new ATOM 0 HB2 CYS A 794 24.022 9.932 -20.460 1.00 35.34 H new ATOM 0 HB3 CYS A 794 23.052 10.044 -21.916 1.00 35.34 H new ATOM 0 HG CYS A 794 24.517 12.490 -21.646 1.00 34.41 H new ATOM 213 N ALA A 795 20.544 8.132 -20.075 1.00 31.25 N ATOM 214 CA ALA A 795 20.253 6.723 -19.867 1.00 3.34 C ATOM 215 C ALA A 795 21.156 5.882 -20.771 1.00 22.12 C ATOM 216 O ALA A 795 20.869 5.711 -21.955 1.00 22.45 O ATOM 217 CB ALA A 795 18.767 6.465 -20.124 1.00 3.23 C ATOM 0 H ALA A 795 19.759 8.683 -20.423 1.00 31.25 H new ATOM 0 HA ALA A 795 20.460 6.436 -18.836 1.00 3.34 H new ATOM 0 HB1 ALA A 795 18.549 5.409 -19.968 1.00 3.23 H new ATOM 0 HB2 ALA A 795 18.170 7.064 -19.437 1.00 3.23 H new ATOM 0 HB3 ALA A 795 18.522 6.738 -21.150 1.00 3.23 H new ATOM 223 N ARG A 796 22.229 5.379 -20.178 1.00 64.05 N ATOM 224 CA ARG A 796 23.176 4.560 -20.916 1.00 22.53 C ATOM 225 C ARG A 796 22.437 3.489 -21.721 1.00 22.43 C ATOM 226 O ARG A 796 22.955 2.989 -22.718 1.00 42.33 O ATOM 227 CB ARG A 796 24.171 3.882 -19.971 1.00 34.12 C ATOM 228 CG ARG A 796 23.467 3.362 -18.716 1.00 21.33 C ATOM 229 CD ARG A 796 24.228 2.181 -18.110 1.00 63.42 C ATOM 230 NE ARG A 796 25.674 2.491 -18.044 1.00 31.33 N ATOM 231 CZ ARG A 796 26.223 3.353 -17.162 1.00 42.24 C ATOM 232 NH1 ARG A 796 25.450 4.000 -16.264 1.00 64.11 N ATOM 233 NH2 ARG A 796 27.527 3.555 -17.192 1.00 64.04 N ATOM 0 H ARG A 796 22.463 5.523 -19.196 1.00 64.05 H new ATOM 0 HA ARG A 796 23.724 5.215 -21.593 1.00 22.53 H new ATOM 0 HB2 ARG A 796 24.662 3.056 -20.486 1.00 34.12 H new ATOM 0 HB3 ARG A 796 24.950 4.590 -19.688 1.00 34.12 H new ATOM 0 HG2 ARG A 796 23.387 4.163 -17.981 1.00 21.33 H new ATOM 0 HG3 ARG A 796 22.451 3.055 -18.965 1.00 21.33 H new ATOM 0 HD2 ARG A 796 23.848 1.967 -17.111 1.00 63.42 H new ATOM 0 HD3 ARG A 796 24.066 1.286 -18.711 1.00 63.42 H new ATOM 0 HE ARG A 796 26.294 2.024 -18.706 1.00 31.33 H new ATOM 0 HH11 ARG A 796 24.443 3.839 -16.248 1.00 64.11 H new ATOM 0 HH12 ARG A 796 25.873 4.650 -15.601 1.00 64.11 H new ATOM 0 HH21 ARG A 796 28.104 3.063 -17.875 1.00 64.04 H new ATOM 0 HH22 ARG A 796 27.958 4.203 -16.533 1.00 64.04 H new ATOM 246 N ASP A 797 21.238 3.167 -21.257 1.00 44.41 N ATOM 247 CA ASP A 797 20.423 2.165 -21.922 1.00 30.14 C ATOM 248 C ASP A 797 18.949 2.415 -21.597 1.00 0.35 C ATOM 249 O ASP A 797 18.631 3.218 -20.721 1.00 15.41 O ATOM 250 CB ASP A 797 20.781 0.757 -21.441 1.00 15.23 C ATOM 251 CG ASP A 797 21.285 0.675 -19.999 1.00 12.14 C ATOM 252 OD1 ASP A 797 22.215 -0.085 -19.689 1.00 53.24 O ATOM 253 OD2 ASP A 797 20.673 1.444 -19.163 1.00 22.14 O ATOM 0 H ASP A 797 20.812 3.582 -20.429 1.00 44.41 H new ATOM 0 HA ASP A 797 20.606 2.238 -22.994 1.00 30.14 H new ATOM 0 HB2 ASP A 797 19.901 0.121 -21.539 1.00 15.23 H new ATOM 0 HB3 ASP A 797 21.546 0.347 -22.101 1.00 15.23 H new ATOM 259 N ARG A 798 18.089 1.713 -22.319 1.00 61.04 N ATOM 260 CA ARG A 798 16.656 1.849 -22.119 1.00 4.11 C ATOM 261 C ARG A 798 16.279 1.444 -20.692 1.00 42.54 C ATOM 262 O ARG A 798 15.192 1.770 -20.218 1.00 1.11 O ATOM 263 CB ARG A 798 15.877 0.983 -23.110 1.00 72.13 C ATOM 264 CG ARG A 798 14.409 0.860 -22.695 1.00 42.33 C ATOM 265 CD ARG A 798 14.188 -0.375 -21.821 1.00 22.44 C ATOM 266 NE ARG A 798 13.849 -1.541 -22.667 1.00 41.23 N ATOM 267 CZ ARG A 798 12.617 -1.782 -23.165 1.00 25.23 C ATOM 268 NH1 ARG A 798 11.596 -0.939 -22.904 1.00 32.34 N ATOM 269 NH2 ARG A 798 12.427 -2.855 -23.910 1.00 42.22 N ATOM 0 H ARG A 798 18.357 1.048 -23.044 1.00 61.04 H new ATOM 0 HA ARG A 798 16.396 2.894 -22.285 1.00 4.11 H new ATOM 0 HB2 ARG A 798 15.941 1.418 -24.107 1.00 72.13 H new ATOM 0 HB3 ARG A 798 16.327 -0.008 -23.165 1.00 72.13 H new ATOM 0 HG2 ARG A 798 14.105 1.754 -22.151 1.00 42.33 H new ATOM 0 HG3 ARG A 798 13.780 0.799 -23.583 1.00 42.33 H new ATOM 0 HD2 ARG A 798 15.087 -0.585 -21.241 1.00 22.44 H new ATOM 0 HD3 ARG A 798 13.385 -0.187 -21.108 1.00 22.44 H new ATOM 0 HE ARG A 798 14.592 -2.204 -22.888 1.00 41.23 H new ATOM 0 HH11 ARG A 798 11.752 -0.113 -22.327 1.00 32.34 H new ATOM 0 HH12 ARG A 798 10.669 -1.128 -23.284 1.00 32.34 H new ATOM 0 HH21 ARG A 798 13.204 -3.487 -24.102 1.00 42.22 H new ATOM 0 HH22 ARG A 798 11.503 -3.052 -24.294 1.00 42.22 H new ATOM 282 N SER A 799 17.198 0.740 -20.048 1.00 45.54 N ATOM 283 CA SER A 799 16.976 0.288 -18.686 1.00 11.04 C ATOM 284 C SER A 799 17.043 1.475 -17.723 1.00 12.23 C ATOM 285 O SER A 799 16.636 1.365 -16.567 1.00 52.41 O ATOM 286 CB SER A 799 17.998 -0.778 -18.286 1.00 33.14 C ATOM 287 OG SER A 799 19.244 -0.601 -18.953 1.00 51.55 O ATOM 0 H SER A 799 18.098 0.472 -20.445 1.00 45.54 H new ATOM 0 HA SER A 799 15.984 -0.160 -18.632 1.00 11.04 H new ATOM 0 HB2 SER A 799 18.156 -0.742 -17.208 1.00 33.14 H new ATOM 0 HB3 SER A 799 17.600 -1.766 -18.517 1.00 33.14 H new ATOM 0 HG SER A 799 19.658 0.236 -18.656 1.00 51.55 H new ATOM 293 N GLU A 800 17.559 2.583 -18.234 1.00 62.34 N ATOM 294 CA GLU A 800 17.685 3.789 -17.434 1.00 53.23 C ATOM 295 C GLU A 800 16.711 4.860 -17.932 1.00 21.53 C ATOM 296 O GLU A 800 16.391 4.909 -19.118 1.00 52.22 O ATOM 297 CB GLU A 800 19.124 4.308 -17.447 1.00 53.52 C ATOM 298 CG GLU A 800 19.394 5.204 -16.236 1.00 65.42 C ATOM 299 CD GLU A 800 19.917 4.384 -15.054 1.00 54.04 C ATOM 300 OE1 GLU A 800 19.146 3.643 -14.425 1.00 45.42 O ATOM 301 OE2 GLU A 800 21.172 4.536 -14.798 1.00 33.13 O ATOM 0 H GLU A 800 17.895 2.671 -19.193 1.00 62.34 H new ATOM 0 HA GLU A 800 17.431 3.546 -16.402 1.00 53.23 H new ATOM 0 HB2 GLU A 800 19.818 3.467 -17.444 1.00 53.52 H new ATOM 0 HB3 GLU A 800 19.305 4.867 -18.365 1.00 53.52 H new ATOM 0 HG2 GLU A 800 20.121 5.971 -16.501 1.00 65.42 H new ATOM 0 HG3 GLU A 800 18.478 5.719 -15.949 1.00 65.42 H new ATOM 309 N LEU A 801 16.268 5.690 -16.999 1.00 75.23 N ATOM 310 CA LEU A 801 15.337 6.756 -17.328 1.00 51.21 C ATOM 311 C LEU A 801 16.118 7.973 -17.829 1.00 23.34 C ATOM 312 O LEU A 801 17.171 8.304 -17.287 1.00 5.44 O ATOM 313 CB LEU A 801 14.426 7.058 -16.137 1.00 15.22 C ATOM 314 CG LEU A 801 12.990 7.464 -16.477 1.00 10.24 C ATOM 315 CD1 LEU A 801 12.209 7.825 -15.212 1.00 15.50 C ATOM 316 CD2 LEU A 801 12.969 8.596 -17.506 1.00 64.11 C ATOM 0 H LEU A 801 16.536 5.646 -16.016 1.00 75.23 H new ATOM 0 HA LEU A 801 14.674 6.447 -18.136 1.00 51.21 H new ATOM 0 HB2 LEU A 801 14.391 6.175 -15.498 1.00 15.22 H new ATOM 0 HB3 LEU A 801 14.880 7.858 -15.551 1.00 15.22 H new ATOM 0 HG LEU A 801 12.491 6.608 -16.931 1.00 10.24 H new ATOM 0 HD11 LEU A 801 11.192 8.110 -15.481 1.00 15.50 H new ATOM 0 HD12 LEU A 801 12.180 6.964 -14.544 1.00 15.50 H new ATOM 0 HD13 LEU A 801 12.698 8.659 -14.708 1.00 15.50 H new ATOM 0 HD21 LEU A 801 11.937 8.865 -17.730 1.00 64.11 H new ATOM 0 HD22 LEU A 801 13.491 9.464 -17.103 1.00 64.11 H new ATOM 0 HD23 LEU A 801 13.464 8.267 -18.419 1.00 64.11 H new ATOM 328 N SER A 802 15.572 8.604 -18.857 1.00 42.52 N ATOM 329 CA SER A 802 16.205 9.777 -19.437 1.00 11.11 C ATOM 330 C SER A 802 15.761 11.035 -18.688 1.00 11.30 C ATOM 331 O SER A 802 14.631 11.493 -18.851 1.00 71.12 O ATOM 332 CB SER A 802 15.875 9.901 -20.926 1.00 2.43 C ATOM 333 OG SER A 802 16.929 10.524 -21.656 1.00 12.45 O ATOM 0 H SER A 802 14.698 8.326 -19.304 1.00 42.52 H new ATOM 0 HA SER A 802 17.285 9.666 -19.340 1.00 11.11 H new ATOM 0 HB2 SER A 802 15.684 8.910 -21.339 1.00 2.43 H new ATOM 0 HB3 SER A 802 14.959 10.479 -21.047 1.00 2.43 H new ATOM 0 HG SER A 802 16.681 10.583 -22.602 1.00 12.45 H new ATOM 339 N LEU A 803 16.674 11.559 -17.883 1.00 35.12 N ATOM 340 CA LEU A 803 16.390 12.755 -17.108 1.00 43.23 C ATOM 341 C LEU A 803 16.888 13.983 -17.874 1.00 34.10 C ATOM 342 O LEU A 803 17.765 13.872 -18.729 1.00 0.31 O ATOM 343 CB LEU A 803 16.973 12.632 -15.699 1.00 61.40 C ATOM 344 CG LEU A 803 16.071 11.969 -14.656 1.00 21.11 C ATOM 345 CD1 LEU A 803 15.135 10.950 -15.309 1.00 30.04 C ATOM 346 CD2 LEU A 803 16.900 11.347 -13.530 1.00 71.12 C ATOM 0 H LEU A 803 17.611 11.177 -17.751 1.00 35.12 H new ATOM 0 HA LEU A 803 15.315 12.876 -16.974 1.00 43.23 H new ATOM 0 HB2 LEU A 803 17.902 12.065 -15.760 1.00 61.40 H new ATOM 0 HB3 LEU A 803 17.231 13.630 -15.345 1.00 61.40 H new ATOM 0 HG LEU A 803 15.445 12.740 -14.207 1.00 21.11 H new ATOM 0 HD11 LEU A 803 14.505 10.493 -14.546 1.00 30.04 H new ATOM 0 HD12 LEU A 803 14.507 11.452 -16.045 1.00 30.04 H new ATOM 0 HD13 LEU A 803 15.725 10.178 -15.802 1.00 30.04 H new ATOM 0 HD21 LEU A 803 16.235 10.883 -12.802 1.00 71.12 H new ATOM 0 HD22 LEU A 803 17.568 10.592 -13.944 1.00 71.12 H new ATOM 0 HD23 LEU A 803 17.489 12.123 -13.040 1.00 71.12 H new ATOM 358 N LYS A 804 16.305 15.125 -17.540 1.00 5.14 N ATOM 359 CA LYS A 804 16.679 16.372 -18.185 1.00 55.30 C ATOM 360 C LYS A 804 16.375 17.540 -17.244 1.00 31.55 C ATOM 361 O LYS A 804 15.213 17.839 -16.975 1.00 55.23 O ATOM 362 CB LYS A 804 16.001 16.492 -19.551 1.00 53.15 C ATOM 363 CG LYS A 804 16.865 17.298 -20.523 1.00 70.04 C ATOM 364 CD LYS A 804 16.523 18.788 -20.456 1.00 31.34 C ATOM 365 CE LYS A 804 17.701 19.643 -20.926 1.00 23.25 C ATOM 366 NZ LYS A 804 18.028 19.344 -22.338 1.00 21.43 N ATOM 0 H LYS A 804 15.577 15.213 -16.831 1.00 5.14 H new ATOM 0 HA LYS A 804 17.751 16.392 -18.383 1.00 55.30 H new ATOM 0 HB2 LYS A 804 15.819 15.498 -19.959 1.00 53.15 H new ATOM 0 HB3 LYS A 804 15.029 16.973 -19.438 1.00 53.15 H new ATOM 0 HG2 LYS A 804 17.919 17.152 -20.285 1.00 70.04 H new ATOM 0 HG3 LYS A 804 16.714 16.932 -21.539 1.00 70.04 H new ATOM 0 HD2 LYS A 804 15.650 18.993 -21.076 1.00 31.34 H new ATOM 0 HD3 LYS A 804 16.258 19.058 -19.434 1.00 31.34 H new ATOM 0 HE2 LYS A 804 17.456 20.700 -20.819 1.00 23.25 H new ATOM 0 HE3 LYS A 804 18.570 19.452 -20.297 1.00 23.25 H new ATOM 0 HZ1 LYS A 804 18.748 20.013 -22.677 1.00 21.43 H new ATOM 0 HZ2 LYS A 804 18.395 18.374 -22.411 1.00 21.43 H new ATOM 0 HZ3 LYS A 804 17.171 19.435 -22.920 1.00 21.43 H new ATOM 379 N GLU A 805 17.441 18.167 -16.768 1.00 35.34 N ATOM 380 CA GLU A 805 17.303 19.294 -15.862 1.00 13.43 C ATOM 381 C GLU A 805 16.125 20.174 -16.285 1.00 15.13 C ATOM 382 O GLU A 805 15.935 20.435 -17.472 1.00 2.54 O ATOM 383 CB GLU A 805 18.598 20.107 -15.796 1.00 74.42 C ATOM 384 CG GLU A 805 19.587 19.482 -14.810 1.00 42.23 C ATOM 385 CD GLU A 805 21.031 19.753 -15.238 1.00 22.33 C ATOM 386 OE1 GLU A 805 21.463 19.278 -16.299 1.00 52.50 O ATOM 387 OE2 GLU A 805 21.713 20.486 -14.424 1.00 34.44 O ATOM 0 H GLU A 805 18.404 17.916 -16.993 1.00 35.34 H new ATOM 0 HA GLU A 805 17.103 18.908 -14.862 1.00 13.43 H new ATOM 0 HB2 GLU A 805 19.050 20.159 -16.786 1.00 74.42 H new ATOM 0 HB3 GLU A 805 18.375 21.130 -15.493 1.00 74.42 H new ATOM 0 HG2 GLU A 805 19.417 19.887 -13.813 1.00 42.23 H new ATOM 0 HG3 GLU A 805 19.417 18.407 -14.751 1.00 42.23 H new ATOM 395 N GLY A 806 15.363 20.607 -15.290 1.00 63.33 N ATOM 396 CA GLY A 806 14.209 21.452 -15.544 1.00 72.45 C ATOM 397 C GLY A 806 12.985 20.611 -15.916 1.00 3.23 C ATOM 398 O GLY A 806 11.955 21.151 -16.316 1.00 2.10 O ATOM 0 H GLY A 806 15.523 20.388 -14.307 1.00 63.33 H new ATOM 0 HA2 GLY A 806 13.989 22.049 -14.659 1.00 72.45 H new ATOM 0 HA3 GLY A 806 14.435 22.149 -16.351 1.00 72.45 H new ATOM 402 N ASP A 807 13.139 19.303 -15.770 1.00 2.43 N ATOM 403 CA ASP A 807 12.060 18.383 -16.085 1.00 12.03 C ATOM 404 C ASP A 807 11.563 17.727 -14.795 1.00 74.52 C ATOM 405 O ASP A 807 12.250 17.754 -13.775 1.00 53.43 O ATOM 406 CB ASP A 807 12.537 17.275 -17.025 1.00 45.25 C ATOM 407 CG ASP A 807 13.009 17.753 -18.400 1.00 72.04 C ATOM 408 OD1 ASP A 807 12.827 17.062 -19.414 1.00 33.13 O ATOM 409 OD2 ASP A 807 13.594 18.903 -18.407 1.00 34.10 O ATOM 0 H ASP A 807 13.995 18.859 -15.438 1.00 2.43 H new ATOM 0 HA ASP A 807 11.265 18.949 -16.570 1.00 12.03 H new ATOM 0 HB2 ASP A 807 13.354 16.737 -16.544 1.00 45.25 H new ATOM 0 HB3 ASP A 807 11.724 16.562 -17.164 1.00 45.25 H new ATOM 415 N ILE A 808 10.372 17.151 -14.883 1.00 4.13 N ATOM 416 CA ILE A 808 9.775 16.489 -13.736 1.00 22.34 C ATOM 417 C ILE A 808 9.757 14.978 -13.977 1.00 21.10 C ATOM 418 O ILE A 808 9.607 14.529 -15.112 1.00 61.12 O ATOM 419 CB ILE A 808 8.397 17.080 -13.433 1.00 73.32 C ATOM 420 CG1 ILE A 808 7.728 17.592 -14.710 1.00 52.32 C ATOM 421 CG2 ILE A 808 8.489 18.165 -12.359 1.00 44.41 C ATOM 422 CD1 ILE A 808 8.293 18.955 -15.116 1.00 62.24 C ATOM 0 H ILE A 808 9.805 17.129 -15.731 1.00 4.13 H new ATOM 0 HA ILE A 808 10.374 16.663 -12.842 1.00 22.34 H new ATOM 0 HB ILE A 808 7.765 16.286 -13.034 1.00 73.32 H new ATOM 0 HG12 ILE A 808 7.881 16.876 -15.517 1.00 52.32 H new ATOM 0 HG13 ILE A 808 6.652 17.672 -14.554 1.00 52.32 H new ATOM 0 HG21 ILE A 808 7.495 18.568 -12.163 1.00 44.41 H new ATOM 0 HG22 ILE A 808 8.894 17.736 -11.442 1.00 44.41 H new ATOM 0 HG23 ILE A 808 9.143 18.965 -12.705 1.00 44.41 H new ATOM 0 HD11 ILE A 808 7.801 19.296 -16.027 1.00 62.24 H new ATOM 0 HD12 ILE A 808 8.117 19.675 -14.317 1.00 62.24 H new ATOM 0 HD13 ILE A 808 9.365 18.866 -15.294 1.00 62.24 H new ATOM 434 N ILE A 809 9.912 14.235 -12.891 1.00 11.53 N ATOM 435 CA ILE A 809 9.915 12.785 -12.970 1.00 63.40 C ATOM 436 C ILE A 809 8.753 12.230 -12.144 1.00 1.35 C ATOM 437 O ILE A 809 8.713 12.406 -10.927 1.00 13.12 O ATOM 438 CB ILE A 809 11.281 12.229 -12.561 1.00 72.21 C ATOM 439 CG1 ILE A 809 12.270 12.292 -13.727 1.00 10.23 C ATOM 440 CG2 ILE A 809 11.150 10.813 -11.997 1.00 33.40 C ATOM 441 CD1 ILE A 809 12.901 13.682 -13.836 1.00 35.13 C ATOM 0 H ILE A 809 10.036 14.611 -11.951 1.00 11.53 H new ATOM 0 HA ILE A 809 9.759 12.460 -13.999 1.00 63.40 H new ATOM 0 HB ILE A 809 11.681 12.857 -11.765 1.00 72.21 H new ATOM 0 HG12 ILE A 809 13.051 11.544 -13.587 1.00 10.23 H new ATOM 0 HG13 ILE A 809 11.757 12.047 -14.657 1.00 10.23 H new ATOM 0 HG21 ILE A 809 12.135 10.441 -11.714 1.00 33.40 H new ATOM 0 HG22 ILE A 809 10.503 10.829 -11.120 1.00 33.40 H new ATOM 0 HG23 ILE A 809 10.719 10.158 -12.754 1.00 33.40 H new ATOM 0 HD11 ILE A 809 13.600 13.700 -14.672 1.00 35.13 H new ATOM 0 HD12 ILE A 809 12.120 14.424 -14.000 1.00 35.13 H new ATOM 0 HD13 ILE A 809 13.433 13.913 -12.913 1.00 35.13 H new ATOM 453 N LYS A 810 7.836 11.572 -12.837 1.00 64.05 N ATOM 454 CA LYS A 810 6.677 10.991 -12.183 1.00 34.21 C ATOM 455 C LYS A 810 7.096 9.715 -11.450 1.00 0.11 C ATOM 456 O LYS A 810 7.488 8.734 -12.079 1.00 64.32 O ATOM 457 CB LYS A 810 5.544 10.778 -13.189 1.00 61.34 C ATOM 458 CG LYS A 810 4.472 9.847 -12.619 1.00 54.32 C ATOM 459 CD LYS A 810 4.095 10.254 -11.193 1.00 22.31 C ATOM 460 CE LYS A 810 2.624 9.949 -10.906 1.00 74.13 C ATOM 461 NZ LYS A 810 2.432 8.502 -10.661 1.00 23.03 N ATOM 0 H LYS A 810 7.872 11.428 -13.846 1.00 64.05 H new ATOM 0 HA LYS A 810 6.281 11.675 -11.432 1.00 34.21 H new ATOM 0 HB2 LYS A 810 5.097 11.738 -13.447 1.00 61.34 H new ATOM 0 HB3 LYS A 810 5.945 10.355 -14.110 1.00 61.34 H new ATOM 0 HG2 LYS A 810 3.587 9.873 -13.255 1.00 54.32 H new ATOM 0 HG3 LYS A 810 4.837 8.820 -12.623 1.00 54.32 H new ATOM 0 HD2 LYS A 810 4.726 9.722 -10.481 1.00 22.31 H new ATOM 0 HD3 LYS A 810 4.283 11.318 -11.053 1.00 22.31 H new ATOM 0 HE2 LYS A 810 2.291 10.518 -10.038 1.00 74.13 H new ATOM 0 HE3 LYS A 810 2.010 10.266 -11.749 1.00 74.13 H new ATOM 0 HZ1 LYS A 810 1.488 8.341 -10.256 1.00 23.03 H new ATOM 0 HZ2 LYS A 810 2.517 7.984 -11.559 1.00 23.03 H new ATOM 0 HZ3 LYS A 810 3.156 8.163 -9.996 1.00 23.03 H new ATOM 474 N ILE A 811 6.999 9.770 -10.130 1.00 11.23 N ATOM 475 CA ILE A 811 7.363 8.631 -9.304 1.00 43.32 C ATOM 476 C ILE A 811 6.315 7.530 -9.471 1.00 33.30 C ATOM 477 O ILE A 811 5.118 7.781 -9.337 1.00 42.42 O ATOM 478 CB ILE A 811 7.572 9.067 -7.852 1.00 63.25 C ATOM 479 CG1 ILE A 811 8.554 10.237 -7.767 1.00 65.10 C ATOM 480 CG2 ILE A 811 8.010 7.886 -6.984 1.00 3.15 C ATOM 481 CD1 ILE A 811 9.998 9.736 -7.682 1.00 13.25 C ATOM 0 H ILE A 811 6.673 10.586 -9.612 1.00 11.23 H new ATOM 0 HA ILE A 811 8.317 8.215 -9.628 1.00 43.32 H new ATOM 0 HB ILE A 811 6.618 9.419 -7.459 1.00 63.25 H new ATOM 0 HG12 ILE A 811 8.438 10.878 -8.641 1.00 65.10 H new ATOM 0 HG13 ILE A 811 8.325 10.846 -6.893 1.00 65.10 H new ATOM 0 HG21 ILE A 811 8.152 8.222 -5.957 1.00 3.15 H new ATOM 0 HG22 ILE A 811 7.243 7.112 -7.010 1.00 3.15 H new ATOM 0 HG23 ILE A 811 8.947 7.482 -7.366 1.00 3.15 H new ATOM 0 HD11 ILE A 811 10.676 10.588 -7.623 1.00 13.25 H new ATOM 0 HD12 ILE A 811 10.116 9.116 -6.794 1.00 13.25 H new ATOM 0 HD13 ILE A 811 10.232 9.148 -8.569 1.00 13.25 H new ATOM 493 N LEU A 812 6.802 6.332 -9.761 1.00 12.24 N ATOM 494 CA LEU A 812 5.922 5.191 -9.947 1.00 54.21 C ATOM 495 C LEU A 812 6.272 4.109 -8.924 1.00 3.44 C ATOM 496 O LEU A 812 5.397 3.610 -8.218 1.00 2.31 O ATOM 497 CB LEU A 812 5.973 4.706 -11.397 1.00 63.11 C ATOM 498 CG LEU A 812 5.976 5.797 -12.470 1.00 21.11 C ATOM 499 CD1 LEU A 812 6.701 5.324 -13.731 1.00 65.20 C ATOM 500 CD2 LEU A 812 4.554 6.273 -12.771 1.00 54.03 C ATOM 0 H LEU A 812 7.795 6.127 -9.872 1.00 12.24 H new ATOM 0 HA LEU A 812 4.886 5.476 -9.767 1.00 54.21 H new ATOM 0 HB2 LEU A 812 6.868 4.097 -11.524 1.00 63.11 H new ATOM 0 HB3 LEU A 812 5.117 4.055 -11.572 1.00 63.11 H new ATOM 0 HG LEU A 812 6.528 6.654 -12.084 1.00 21.11 H new ATOM 0 HD11 LEU A 812 6.689 6.118 -14.477 1.00 65.20 H new ATOM 0 HD12 LEU A 812 7.733 5.073 -13.485 1.00 65.20 H new ATOM 0 HD13 LEU A 812 6.199 4.443 -14.130 1.00 65.20 H new ATOM 0 HD21 LEU A 812 4.584 7.048 -13.537 1.00 54.03 H new ATOM 0 HD22 LEU A 812 3.957 5.434 -13.128 1.00 54.03 H new ATOM 0 HD23 LEU A 812 4.106 6.677 -11.863 1.00 54.03 H new ATOM 512 N ASN A 813 7.554 3.779 -8.875 1.00 64.24 N ATOM 513 CA ASN A 813 8.032 2.765 -7.950 1.00 53.30 C ATOM 514 C ASN A 813 9.109 3.371 -7.048 1.00 14.23 C ATOM 515 O ASN A 813 9.744 4.359 -7.411 1.00 42.54 O ATOM 516 CB ASN A 813 8.652 1.584 -8.699 1.00 0.12 C ATOM 517 CG ASN A 813 8.456 0.280 -7.924 1.00 22.43 C ATOM 518 OD1 ASN A 813 9.485 -0.048 -7.148 1.00 61.25 O flip ATOM 519 ND2 ASN A 813 7.438 -0.385 -8.023 1.00 24.23 N flip ATOM 0 H ASN A 813 8.277 4.196 -9.461 1.00 64.24 H new ATOM 0 HA ASN A 813 7.182 2.414 -7.365 1.00 53.30 H new ATOM 0 HB2 ASN A 813 8.198 1.496 -9.686 1.00 0.12 H new ATOM 0 HB3 ASN A 813 9.716 1.764 -8.852 1.00 0.12 H new ATOM 0 HD21 ASN A 813 6.685 -0.076 -8.638 1.00 24.23 H new ATOM 0 HD22 ASN A 813 7.340 -1.250 -7.491 1.00 24.23 H new ATOM 526 N LYS A 814 9.280 2.753 -5.888 1.00 43.34 N ATOM 527 CA LYS A 814 10.269 3.219 -4.931 1.00 43.42 C ATOM 528 C LYS A 814 11.063 2.024 -4.402 1.00 23.43 C ATOM 529 O LYS A 814 11.033 1.734 -3.207 1.00 2.04 O ATOM 530 CB LYS A 814 9.602 4.050 -3.833 1.00 22.32 C ATOM 531 CG LYS A 814 8.934 5.296 -4.417 1.00 31.00 C ATOM 532 CD LYS A 814 9.771 6.547 -4.142 1.00 32.14 C ATOM 533 CE LYS A 814 9.310 7.243 -2.860 1.00 1.35 C ATOM 534 NZ LYS A 814 9.452 6.337 -1.698 1.00 5.42 N ATOM 0 H LYS A 814 8.750 1.934 -5.590 1.00 43.34 H new ATOM 0 HA LYS A 814 10.982 3.887 -5.414 1.00 43.42 H new ATOM 0 HB2 LYS A 814 8.859 3.444 -3.314 1.00 22.32 H new ATOM 0 HB3 LYS A 814 10.346 4.345 -3.093 1.00 22.32 H new ATOM 0 HG2 LYS A 814 8.801 5.172 -5.492 1.00 31.00 H new ATOM 0 HG3 LYS A 814 7.941 5.417 -3.985 1.00 31.00 H new ATOM 0 HD2 LYS A 814 10.822 6.273 -4.054 1.00 32.14 H new ATOM 0 HD3 LYS A 814 9.690 7.235 -4.983 1.00 32.14 H new ATOM 0 HE2 LYS A 814 9.898 8.146 -2.698 1.00 1.35 H new ATOM 0 HE3 LYS A 814 8.270 7.553 -2.962 1.00 1.35 H new ATOM 0 HZ1 LYS A 814 8.939 6.733 -0.885 1.00 5.42 H new ATOM 0 HZ2 LYS A 814 9.059 5.404 -1.935 1.00 5.42 H new ATOM 0 HZ3 LYS A 814 10.459 6.237 -1.457 1.00 5.42 H new ATOM 547 N LYS A 815 11.755 1.361 -5.317 1.00 41.22 N ATOM 548 CA LYS A 815 12.556 0.203 -4.957 1.00 51.34 C ATOM 549 C LYS A 815 13.484 0.571 -3.798 1.00 21.10 C ATOM 550 O LYS A 815 14.423 1.346 -3.972 1.00 2.13 O ATOM 551 CB LYS A 815 13.290 -0.342 -6.184 1.00 21.32 C ATOM 552 CG LYS A 815 12.344 -1.151 -7.074 1.00 44.02 C ATOM 553 CD LYS A 815 13.098 -2.262 -7.808 1.00 43.33 C ATOM 554 CE LYS A 815 13.543 -3.357 -6.837 1.00 74.21 C ATOM 555 NZ LYS A 815 12.518 -4.421 -6.752 1.00 74.42 N ATOM 0 H LYS A 815 11.778 1.604 -6.307 1.00 41.22 H new ATOM 0 HA LYS A 815 11.918 -0.609 -4.609 1.00 51.34 H new ATOM 0 HB2 LYS A 815 13.715 0.484 -6.755 1.00 21.32 H new ATOM 0 HB3 LYS A 815 14.122 -0.970 -5.865 1.00 21.32 H new ATOM 0 HG2 LYS A 815 11.550 -1.585 -6.467 1.00 44.02 H new ATOM 0 HG3 LYS A 815 11.867 -0.491 -7.798 1.00 44.02 H new ATOM 0 HD2 LYS A 815 12.459 -2.692 -8.579 1.00 43.33 H new ATOM 0 HD3 LYS A 815 13.968 -1.843 -8.313 1.00 43.33 H new ATOM 0 HE2 LYS A 815 14.491 -3.782 -7.168 1.00 74.21 H new ATOM 0 HE3 LYS A 815 13.714 -2.928 -5.849 1.00 74.21 H new ATOM 0 HZ1 LYS A 815 12.835 -5.157 -6.089 1.00 74.42 H new ATOM 0 HZ2 LYS A 815 11.622 -4.014 -6.415 1.00 74.42 H new ATOM 0 HZ3 LYS A 815 12.375 -4.841 -7.693 1.00 74.42 H new ATOM 568 N GLY A 816 13.189 -0.003 -2.641 1.00 11.12 N ATOM 569 CA GLY A 816 13.985 0.255 -1.453 1.00 62.31 C ATOM 570 C GLY A 816 14.308 1.745 -1.322 1.00 20.53 C ATOM 571 O GLY A 816 13.734 2.572 -2.028 1.00 11.34 O ATOM 0 H GLY A 816 12.410 -0.646 -2.501 1.00 11.12 H new ATOM 0 HA2 GLY A 816 13.445 -0.083 -0.569 1.00 62.31 H new ATOM 0 HA3 GLY A 816 14.911 -0.319 -1.500 1.00 62.31 H new ATOM 575 N GLN A 817 15.226 2.041 -0.413 1.00 71.43 N ATOM 576 CA GLN A 817 15.632 3.416 -0.180 1.00 51.24 C ATOM 577 C GLN A 817 17.089 3.618 -0.601 1.00 61.00 C ATOM 578 O GLN A 817 17.782 2.657 -0.934 1.00 15.33 O ATOM 579 CB GLN A 817 15.425 3.809 1.284 1.00 74.33 C ATOM 580 CG GLN A 817 15.653 2.612 2.210 1.00 52.32 C ATOM 581 CD GLN A 817 14.442 1.677 2.205 1.00 63.51 C ATOM 582 OE1 GLN A 817 14.514 0.529 1.796 1.00 53.30 O ATOM 583 NE2 GLN A 817 13.330 2.228 2.681 1.00 11.52 N ATOM 0 H GLN A 817 15.700 1.352 0.171 1.00 71.43 H new ATOM 0 HA GLN A 817 15.005 4.067 -0.789 1.00 51.24 H new ATOM 0 HB2 GLN A 817 16.111 4.614 1.549 1.00 74.33 H new ATOM 0 HB3 GLN A 817 14.414 4.193 1.422 1.00 74.33 H new ATOM 0 HG2 GLN A 817 16.541 2.065 1.892 1.00 52.32 H new ATOM 0 HG3 GLN A 817 15.842 2.963 3.224 1.00 52.32 H new ATOM 0 HE21 GLN A 817 13.339 3.194 3.007 1.00 11.52 H new ATOM 0 HE22 GLN A 817 12.468 1.684 2.720 1.00 11.52 H new ATOM 592 N GLN A 818 17.511 4.873 -0.572 1.00 44.45 N ATOM 593 CA GLN A 818 18.874 5.213 -0.947 1.00 13.43 C ATOM 594 C GLN A 818 19.294 4.429 -2.191 1.00 53.24 C ATOM 595 O GLN A 818 20.457 4.056 -2.331 1.00 24.11 O ATOM 596 CB GLN A 818 19.840 4.961 0.212 1.00 31.13 C ATOM 597 CG GLN A 818 19.162 5.224 1.559 1.00 61.24 C ATOM 598 CD GLN A 818 20.179 5.187 2.701 1.00 2.10 C ATOM 599 OE1 GLN A 818 21.070 4.354 2.747 1.00 14.33 O ATOM 600 NE2 GLN A 818 19.998 6.134 3.617 1.00 31.23 N ATOM 0 H GLN A 818 16.934 5.667 -0.295 1.00 44.45 H new ATOM 0 HA GLN A 818 18.911 6.277 -1.183 1.00 13.43 H new ATOM 0 HB2 GLN A 818 20.197 3.932 0.175 1.00 31.13 H new ATOM 0 HB3 GLN A 818 20.713 5.605 0.109 1.00 31.13 H new ATOM 0 HG2 GLN A 818 18.668 6.196 1.538 1.00 61.24 H new ATOM 0 HG3 GLN A 818 18.388 4.477 1.732 1.00 61.24 H new ATOM 0 HE21 GLN A 818 19.232 6.800 3.518 1.00 31.23 H new ATOM 0 HE22 GLN A 818 20.625 6.194 4.419 1.00 31.23 H new ATOM 609 N GLY A 819 18.323 4.203 -3.064 1.00 62.44 N ATOM 610 CA GLY A 819 18.578 3.469 -4.293 1.00 13.51 C ATOM 611 C GLY A 819 18.197 4.303 -5.518 1.00 11.30 C ATOM 612 O GLY A 819 18.888 5.261 -5.860 1.00 41.44 O ATOM 0 H GLY A 819 17.359 4.515 -2.945 1.00 62.44 H new ATOM 0 HA2 GLY A 819 19.632 3.198 -4.347 1.00 13.51 H new ATOM 0 HA3 GLY A 819 18.009 2.539 -4.290 1.00 13.51 H new ATOM 616 N TRP A 820 17.098 3.908 -6.145 1.00 4.44 N ATOM 617 CA TRP A 820 16.617 4.607 -7.324 1.00 43.41 C ATOM 618 C TRP A 820 15.089 4.636 -7.266 1.00 53.12 C ATOM 619 O TRP A 820 14.485 4.004 -6.401 1.00 13.44 O ATOM 620 CB TRP A 820 17.155 3.960 -8.602 1.00 40.50 C ATOM 621 CG TRP A 820 16.733 2.501 -8.786 1.00 4.32 C ATOM 622 CD1 TRP A 820 15.915 1.775 -8.012 1.00 4.12 C ATOM 623 CD2 TRP A 820 17.145 1.615 -9.848 1.00 33.32 C ATOM 624 NE1 TRP A 820 15.770 0.490 -8.495 1.00 10.51 N ATOM 625 CE2 TRP A 820 16.541 0.390 -9.647 1.00 2.00 C ATOM 626 CE3 TRP A 820 17.998 1.840 -10.942 1.00 3.20 C ATOM 627 CZ2 TRP A 820 16.727 -0.705 -10.499 1.00 53.04 C ATOM 628 CZ3 TRP A 820 18.173 0.736 -11.784 1.00 64.25 C ATOM 629 CH2 TRP A 820 17.573 -0.504 -11.596 1.00 42.31 C ATOM 0 H TRP A 820 16.527 3.113 -5.858 1.00 4.44 H new ATOM 0 HA TRP A 820 16.984 5.633 -7.341 1.00 43.41 H new ATOM 0 HB2 TRP A 820 16.813 4.537 -9.461 1.00 40.50 H new ATOM 0 HB3 TRP A 820 18.244 4.014 -8.594 1.00 40.50 H new ATOM 0 HD1 TRP A 820 15.430 2.148 -7.122 1.00 4.12 H new ATOM 0 HE1 TRP A 820 15.202 -0.250 -8.082 1.00 10.51 H new ATOM 0 HE3 TRP A 820 18.480 2.790 -11.119 1.00 3.20 H new ATOM 0 HZ2 TRP A 820 16.244 -1.654 -10.320 1.00 53.04 H new ATOM 0 HZ3 TRP A 820 18.820 0.856 -12.640 1.00 64.25 H new ATOM 0 HH2 TRP A 820 17.759 -1.308 -12.293 1.00 42.31 H new ATOM 640 N TRP A 821 14.507 5.376 -8.199 1.00 32.41 N ATOM 641 CA TRP A 821 13.060 5.495 -8.265 1.00 21.12 C ATOM 642 C TRP A 821 12.630 5.234 -9.710 1.00 35.54 C ATOM 643 O TRP A 821 13.195 5.803 -10.642 1.00 73.31 O ATOM 644 CB TRP A 821 12.598 6.856 -7.740 1.00 71.31 C ATOM 645 CG TRP A 821 12.816 7.050 -6.238 1.00 52.33 C ATOM 646 CD1 TRP A 821 12.875 6.111 -5.285 1.00 30.24 C ATOM 647 CD2 TRP A 821 13.002 8.306 -5.552 1.00 44.22 C ATOM 648 NE1 TRP A 821 13.085 6.667 -4.039 1.00 61.11 N ATOM 649 CE2 TRP A 821 13.165 8.044 -4.207 1.00 42.42 C ATOM 650 CE3 TRP A 821 13.033 9.620 -6.052 1.00 12.12 C ATOM 651 CZ2 TRP A 821 13.369 9.046 -3.250 1.00 64.24 C ATOM 652 CZ3 TRP A 821 13.238 10.610 -5.083 1.00 33.43 C ATOM 653 CH2 TRP A 821 13.403 10.362 -3.725 1.00 2.50 C ATOM 0 H TRP A 821 15.011 5.899 -8.915 1.00 32.41 H new ATOM 0 HA TRP A 821 12.582 4.757 -7.621 1.00 21.12 H new ATOM 0 HB2 TRP A 821 13.129 7.641 -8.278 1.00 71.31 H new ATOM 0 HB3 TRP A 821 11.538 6.979 -7.962 1.00 71.31 H new ATOM 0 HD1 TRP A 821 12.771 5.052 -5.468 1.00 30.24 H new ATOM 0 HE1 TRP A 821 13.166 6.160 -3.157 1.00 61.11 H new ATOM 0 HE3 TRP A 821 12.909 9.848 -7.100 1.00 12.12 H new ATOM 0 HZ2 TRP A 821 13.493 8.816 -2.202 1.00 64.24 H new ATOM 0 HZ3 TRP A 821 13.270 11.638 -5.414 1.00 33.43 H new ATOM 0 HH2 TRP A 821 13.557 11.182 -3.039 1.00 2.50 H new ATOM 664 N ARG A 822 11.633 4.372 -9.850 1.00 14.25 N ATOM 665 CA ARG A 822 11.120 4.028 -11.165 1.00 13.41 C ATOM 666 C ARG A 822 10.030 5.017 -11.585 1.00 5.40 C ATOM 667 O ARG A 822 8.883 4.901 -11.157 1.00 2.40 O ATOM 668 CB ARG A 822 10.545 2.611 -11.178 1.00 75.24 C ATOM 669 CG ARG A 822 10.368 2.105 -12.611 1.00 74.45 C ATOM 670 CD ARG A 822 9.263 1.049 -12.688 1.00 34.04 C ATOM 671 NE ARG A 822 8.045 1.541 -12.005 1.00 70.21 N ATOM 672 CZ ARG A 822 7.013 0.752 -11.637 1.00 52.31 C ATOM 673 NH1 ARG A 822 7.042 -0.575 -11.884 1.00 5.44 N ATOM 674 NH2 ARG A 822 5.974 1.298 -11.033 1.00 10.41 N ATOM 0 H ARG A 822 11.167 3.902 -9.074 1.00 14.25 H new ATOM 0 HA ARG A 822 11.951 4.077 -11.869 1.00 13.41 H new ATOM 0 HB2 ARG A 822 11.208 1.941 -10.631 1.00 75.24 H new ATOM 0 HB3 ARG A 822 9.584 2.600 -10.663 1.00 75.24 H new ATOM 0 HG2 ARG A 822 10.124 2.940 -13.268 1.00 74.45 H new ATOM 0 HG3 ARG A 822 11.306 1.681 -12.969 1.00 74.45 H new ATOM 0 HD2 ARG A 822 9.039 0.821 -13.730 1.00 34.04 H new ATOM 0 HD3 ARG A 822 9.601 0.122 -12.224 1.00 34.04 H new ATOM 0 HE ARG A 822 7.982 2.538 -11.800 1.00 70.21 H new ATOM 0 HH11 ARG A 822 7.848 -0.989 -12.352 1.00 5.44 H new ATOM 0 HH12 ARG A 822 6.258 -1.163 -11.602 1.00 5.44 H new ATOM 0 HH21 ARG A 822 5.959 2.302 -10.851 1.00 10.41 H new ATOM 0 HH22 ARG A 822 5.186 0.716 -10.748 1.00 10.41 H new ATOM 687 N GLY A 823 10.428 5.968 -12.418 1.00 22.12 N ATOM 688 CA GLY A 823 9.500 6.976 -12.901 1.00 2.55 C ATOM 689 C GLY A 823 9.370 6.917 -14.424 1.00 12.41 C ATOM 690 O GLY A 823 9.678 5.897 -15.038 1.00 34.13 O ATOM 0 H GLY A 823 11.381 6.061 -12.770 1.00 22.12 H new ATOM 0 HA2 GLY A 823 8.523 6.825 -12.443 1.00 2.55 H new ATOM 0 HA3 GLY A 823 9.843 7.966 -12.600 1.00 2.55 H new ATOM 694 N GLU A 824 8.913 8.025 -14.990 1.00 60.31 N ATOM 695 CA GLU A 824 8.738 8.112 -16.430 1.00 22.21 C ATOM 696 C GLU A 824 8.661 9.576 -16.868 1.00 25.12 C ATOM 697 O GLU A 824 8.365 10.454 -16.060 1.00 12.44 O ATOM 698 CB GLU A 824 7.496 7.339 -16.879 1.00 42.51 C ATOM 699 CG GLU A 824 7.017 7.821 -18.250 1.00 13.42 C ATOM 700 CD GLU A 824 5.772 7.052 -18.697 1.00 63.21 C ATOM 701 OE1 GLU A 824 4.664 7.332 -18.216 1.00 61.32 O ATOM 702 OE2 GLU A 824 5.986 6.134 -19.578 1.00 41.22 O ATOM 0 H GLU A 824 8.659 8.869 -14.477 1.00 60.31 H new ATOM 0 HA GLU A 824 9.603 7.655 -16.910 1.00 22.21 H new ATOM 0 HB2 GLU A 824 7.722 6.274 -16.923 1.00 42.51 H new ATOM 0 HB3 GLU A 824 6.699 7.466 -16.146 1.00 42.51 H new ATOM 0 HG2 GLU A 824 6.794 8.887 -18.207 1.00 13.42 H new ATOM 0 HG3 GLU A 824 7.812 7.690 -18.984 1.00 13.42 H new ATOM 710 N ILE A 825 8.934 9.793 -18.146 1.00 1.10 N ATOM 711 CA ILE A 825 8.900 11.136 -18.701 1.00 33.41 C ATOM 712 C ILE A 825 8.554 11.059 -20.189 1.00 72.23 C ATOM 713 O ILE A 825 9.179 10.309 -20.938 1.00 3.53 O ATOM 714 CB ILE A 825 10.211 11.869 -18.411 1.00 71.22 C ATOM 715 CG1 ILE A 825 10.217 12.443 -16.993 1.00 35.42 C ATOM 716 CG2 ILE A 825 10.482 12.944 -19.466 1.00 24.15 C ATOM 717 CD1 ILE A 825 11.275 13.537 -16.848 1.00 45.44 C ATOM 0 H ILE A 825 9.180 9.062 -18.813 1.00 1.10 H new ATOM 0 HA ILE A 825 8.119 11.727 -18.222 1.00 33.41 H new ATOM 0 HB ILE A 825 11.026 11.147 -18.469 1.00 71.22 H new ATOM 0 HG12 ILE A 825 9.234 12.850 -16.758 1.00 35.42 H new ATOM 0 HG13 ILE A 825 10.412 11.646 -16.275 1.00 35.42 H new ATOM 0 HG21 ILE A 825 11.420 13.450 -19.237 1.00 24.15 H new ATOM 0 HG22 ILE A 825 10.551 12.479 -20.450 1.00 24.15 H new ATOM 0 HG23 ILE A 825 9.668 13.669 -19.464 1.00 24.15 H new ATOM 0 HD11 ILE A 825 11.257 13.928 -15.831 1.00 45.44 H new ATOM 0 HD12 ILE A 825 12.260 13.121 -17.060 1.00 45.44 H new ATOM 0 HD13 ILE A 825 11.063 14.344 -17.550 1.00 45.44 H new ATOM 729 N TYR A 826 7.559 11.844 -20.574 1.00 54.21 N ATOM 730 CA TYR A 826 7.122 11.875 -21.960 1.00 20.43 C ATOM 731 C TYR A 826 6.682 10.486 -22.427 1.00 20.44 C ATOM 732 O TYR A 826 6.699 10.194 -23.621 1.00 43.14 O ATOM 733 CB TYR A 826 8.340 12.312 -22.776 1.00 31.10 C ATOM 734 CG TYR A 826 9.012 13.585 -22.258 1.00 31.13 C ATOM 735 CD1 TYR A 826 8.364 14.380 -21.334 1.00 42.32 C ATOM 736 CD2 TYR A 826 10.266 13.938 -22.714 1.00 33.04 C ATOM 737 CE1 TYR A 826 8.997 15.578 -20.846 1.00 53.44 C ATOM 738 CE2 TYR A 826 10.898 15.136 -22.226 1.00 2.12 C ATOM 739 CZ TYR A 826 10.233 15.897 -21.316 1.00 55.22 C ATOM 740 OH TYR A 826 10.830 17.029 -20.856 1.00 31.25 O ATOM 0 H TYR A 826 7.042 12.464 -19.950 1.00 54.21 H new ATOM 0 HA TYR A 826 6.274 12.549 -22.080 1.00 20.43 H new ATOM 0 HB2 TYR A 826 9.071 11.503 -22.780 1.00 31.10 H new ATOM 0 HB3 TYR A 826 8.034 12.470 -23.810 1.00 31.10 H new ATOM 0 HD1 TYR A 826 7.383 14.104 -20.977 1.00 42.32 H new ATOM 0 HD2 TYR A 826 10.773 13.316 -23.437 1.00 33.04 H new ATOM 0 HE1 TYR A 826 8.501 16.209 -20.123 1.00 53.44 H new ATOM 0 HE2 TYR A 826 11.879 15.424 -22.575 1.00 2.12 H new ATOM 0 HH TYR A 826 11.702 16.805 -20.468 1.00 31.25 H new ATOM 750 N GLY A 827 6.298 9.665 -21.459 1.00 51.55 N ATOM 751 CA GLY A 827 5.854 8.314 -21.756 1.00 41.15 C ATOM 752 C GLY A 827 7.042 7.353 -21.840 1.00 34.21 C ATOM 753 O GLY A 827 6.920 6.256 -22.383 1.00 31.10 O ATOM 0 H GLY A 827 6.285 9.910 -20.469 1.00 51.55 H new ATOM 0 HA2 GLY A 827 5.162 7.977 -20.984 1.00 41.15 H new ATOM 0 HA3 GLY A 827 5.308 8.306 -22.699 1.00 41.15 H new ATOM 757 N ARG A 828 8.163 7.799 -21.294 1.00 11.54 N ATOM 758 CA ARG A 828 9.371 6.993 -21.299 1.00 64.43 C ATOM 759 C ARG A 828 9.680 6.489 -19.888 1.00 20.10 C ATOM 760 O ARG A 828 9.972 7.280 -18.993 1.00 2.23 O ATOM 761 CB ARG A 828 10.566 7.794 -21.820 1.00 62.11 C ATOM 762 CG ARG A 828 10.352 8.215 -23.275 1.00 73.24 C ATOM 763 CD ARG A 828 11.624 8.830 -23.862 1.00 23.54 C ATOM 764 NE ARG A 828 11.696 10.267 -23.518 1.00 43.33 N ATOM 765 CZ ARG A 828 12.188 10.744 -22.355 1.00 34.03 C ATOM 766 NH1 ARG A 828 12.655 9.899 -21.411 1.00 42.22 N ATOM 767 NH2 ARG A 828 12.204 12.048 -22.153 1.00 51.43 N ATOM 0 H ARG A 828 8.260 8.710 -20.845 1.00 11.54 H new ATOM 0 HA ARG A 828 9.200 6.145 -21.962 1.00 64.43 H new ATOM 0 HB2 ARG A 828 10.714 8.678 -21.200 1.00 62.11 H new ATOM 0 HB3 ARG A 828 11.473 7.194 -21.741 1.00 62.11 H new ATOM 0 HG2 ARG A 828 10.056 7.350 -23.868 1.00 73.24 H new ATOM 0 HG3 ARG A 828 9.536 8.935 -23.332 1.00 73.24 H new ATOM 0 HD2 ARG A 828 12.501 8.311 -23.475 1.00 23.54 H new ATOM 0 HD3 ARG A 828 11.632 8.706 -24.945 1.00 23.54 H new ATOM 0 HE ARG A 828 11.352 10.940 -24.203 1.00 43.33 H new ATOM 0 HH11 ARG A 828 12.638 8.892 -21.574 1.00 42.22 H new ATOM 0 HH12 ARG A 828 13.025 10.267 -20.535 1.00 42.22 H new ATOM 0 HH21 ARG A 828 11.848 12.680 -22.870 1.00 51.43 H new ATOM 0 HH22 ARG A 828 12.572 12.424 -21.279 1.00 51.43 H new ATOM 780 N ILE A 829 9.605 5.175 -19.733 1.00 53.23 N ATOM 781 CA ILE A 829 9.872 4.557 -18.446 1.00 64.40 C ATOM 782 C ILE A 829 11.372 4.280 -18.320 1.00 11.42 C ATOM 783 O ILE A 829 12.075 4.182 -19.324 1.00 63.11 O ATOM 784 CB ILE A 829 9.000 3.314 -18.257 1.00 21.10 C ATOM 785 CG1 ILE A 829 7.521 3.646 -18.463 1.00 72.14 C ATOM 786 CG2 ILE A 829 9.257 2.665 -16.895 1.00 45.43 C ATOM 787 CD1 ILE A 829 6.860 4.050 -17.144 1.00 3.12 C ATOM 0 H ILE A 829 9.363 4.522 -20.478 1.00 53.23 H new ATOM 0 HA ILE A 829 9.602 5.234 -17.635 1.00 64.40 H new ATOM 0 HB ILE A 829 9.276 2.584 -19.018 1.00 21.10 H new ATOM 0 HG12 ILE A 829 7.424 4.456 -19.186 1.00 72.14 H new ATOM 0 HG13 ILE A 829 7.006 2.782 -18.882 1.00 72.14 H new ATOM 0 HG21 ILE A 829 8.624 1.784 -16.787 1.00 45.43 H new ATOM 0 HG22 ILE A 829 10.304 2.371 -16.824 1.00 45.43 H new ATOM 0 HG23 ILE A 829 9.026 3.377 -16.103 1.00 45.43 H new ATOM 0 HD11 ILE A 829 5.809 4.281 -17.319 1.00 3.12 H new ATOM 0 HD12 ILE A 829 6.937 3.229 -16.432 1.00 3.12 H new ATOM 0 HD13 ILE A 829 7.362 4.929 -16.740 1.00 3.12 H new ATOM 799 N GLY A 830 11.817 4.163 -17.077 1.00 41.34 N ATOM 800 CA GLY A 830 13.220 3.900 -16.807 1.00 3.41 C ATOM 801 C GLY A 830 13.509 3.954 -15.305 1.00 74.12 C ATOM 802 O GLY A 830 12.586 4.003 -14.494 1.00 14.23 O ATOM 0 H GLY A 830 11.231 4.246 -16.246 1.00 41.34 H new ATOM 0 HA2 GLY A 830 13.492 2.920 -17.198 1.00 3.41 H new ATOM 0 HA3 GLY A 830 13.838 4.633 -17.326 1.00 3.41 H new ATOM 806 N TRP A 831 14.793 3.942 -14.981 1.00 1.31 N ATOM 807 CA TRP A 831 15.215 3.989 -13.591 1.00 74.21 C ATOM 808 C TRP A 831 16.204 5.145 -13.436 1.00 2.34 C ATOM 809 O TRP A 831 17.018 5.394 -14.323 1.00 65.14 O ATOM 810 CB TRP A 831 15.793 2.644 -13.148 1.00 70.52 C ATOM 811 CG TRP A 831 14.793 1.487 -13.206 1.00 61.12 C ATOM 812 CD1 TRP A 831 14.390 0.798 -14.283 1.00 15.33 C ATOM 813 CD2 TRP A 831 14.083 0.908 -12.091 1.00 75.14 C ATOM 814 NE1 TRP A 831 13.474 -0.178 -13.945 1.00 5.02 N ATOM 815 CE2 TRP A 831 13.282 -0.109 -12.570 1.00 20.22 C ATOM 816 CE3 TRP A 831 14.115 1.233 -10.724 1.00 23.11 C ATOM 817 CZ2 TRP A 831 12.454 -0.884 -11.749 1.00 22.13 C ATOM 818 CZ3 TRP A 831 13.282 0.449 -9.916 1.00 42.24 C ATOM 819 CH2 TRP A 831 12.470 -0.578 -10.383 1.00 23.24 C ATOM 0 H TRP A 831 15.556 3.900 -15.657 1.00 1.31 H new ATOM 0 HA TRP A 831 14.363 4.170 -12.935 1.00 74.21 H new ATOM 0 HB2 TRP A 831 16.649 2.403 -13.778 1.00 70.52 H new ATOM 0 HB3 TRP A 831 16.165 2.738 -12.128 1.00 70.52 H new ATOM 0 HD1 TRP A 831 14.738 0.983 -15.288 1.00 15.33 H new ATOM 0 HE1 TRP A 831 13.021 -0.830 -14.586 1.00 5.02 H new ATOM 0 HE3 TRP A 831 14.733 2.025 -10.328 1.00 23.11 H new ATOM 0 HZ2 TRP A 831 11.836 -1.675 -12.148 1.00 22.13 H new ATOM 0 HZ3 TRP A 831 13.270 0.657 -8.856 1.00 42.24 H new ATOM 0 HH2 TRP A 831 11.854 -1.138 -9.695 1.00 23.24 H new ATOM 830 N PHE A 832 16.101 5.822 -12.301 1.00 22.40 N ATOM 831 CA PHE A 832 16.977 6.946 -12.018 1.00 21.12 C ATOM 832 C PHE A 832 17.241 7.071 -10.516 1.00 33.22 C ATOM 833 O PHE A 832 16.402 6.691 -9.701 1.00 34.32 O ATOM 834 CB PHE A 832 16.258 8.206 -12.504 1.00 5.11 C ATOM 835 CG PHE A 832 14.992 8.544 -11.714 1.00 61.05 C ATOM 836 CD1 PHE A 832 13.826 7.902 -11.992 1.00 70.42 C ATOM 837 CD2 PHE A 832 15.033 9.487 -10.735 1.00 34.41 C ATOM 838 CE1 PHE A 832 12.651 8.215 -11.260 1.00 13.05 C ATOM 839 CE2 PHE A 832 13.857 9.800 -10.002 1.00 43.13 C ATOM 840 CZ PHE A 832 12.691 9.158 -10.280 1.00 22.30 C ATOM 0 H PHE A 832 15.424 5.613 -11.567 1.00 22.40 H new ATOM 0 HA PHE A 832 17.936 6.806 -12.518 1.00 21.12 H new ATOM 0 HB2 PHE A 832 16.946 9.050 -12.446 1.00 5.11 H new ATOM 0 HB3 PHE A 832 15.996 8.080 -13.554 1.00 5.11 H new ATOM 0 HD1 PHE A 832 13.794 7.154 -12.770 1.00 70.42 H new ATOM 0 HD2 PHE A 832 15.959 9.998 -10.515 1.00 34.41 H new ATOM 0 HE1 PHE A 832 11.725 7.705 -11.481 1.00 13.05 H new ATOM 0 HE2 PHE A 832 13.889 10.548 -9.224 1.00 43.13 H new ATOM 0 HZ PHE A 832 11.797 9.397 -9.723 1.00 22.30 H new ATOM 850 N PRO A 833 18.441 7.619 -10.187 1.00 10.24 N ATOM 851 CA PRO A 833 18.826 7.799 -8.797 1.00 72.01 C ATOM 852 C PRO A 833 18.077 8.976 -8.168 1.00 73.35 C ATOM 853 O PRO A 833 17.767 9.953 -8.848 1.00 2.33 O ATOM 854 CB PRO A 833 20.332 8.002 -8.829 1.00 53.31 C ATOM 855 CG PRO A 833 20.669 8.392 -10.259 1.00 4.20 C ATOM 856 CD PRO A 833 19.460 8.081 -11.125 1.00 33.10 C ATOM 0 HA PRO A 833 18.566 6.943 -8.174 1.00 72.01 H new ATOM 0 HB2 PRO A 833 20.636 8.781 -8.130 1.00 53.31 H new ATOM 0 HB3 PRO A 833 20.855 7.091 -8.539 1.00 53.31 H new ATOM 0 HG2 PRO A 833 20.917 9.452 -10.317 1.00 4.20 H new ATOM 0 HG3 PRO A 833 21.541 7.840 -10.609 1.00 4.20 H new ATOM 0 HD2 PRO A 833 19.126 8.964 -11.670 1.00 33.10 H new ATOM 0 HD3 PRO A 833 19.691 7.317 -11.867 1.00 33.10 H new ATOM 864 N SER A 834 17.807 8.843 -6.878 1.00 71.32 N ATOM 865 CA SER A 834 17.100 9.883 -6.150 1.00 61.22 C ATOM 866 C SER A 834 18.086 10.955 -5.681 1.00 14.01 C ATOM 867 O SER A 834 17.703 11.892 -4.982 1.00 54.24 O ATOM 868 CB SER A 834 16.341 9.301 -4.956 1.00 71.33 C ATOM 869 OG SER A 834 17.170 9.181 -3.803 1.00 70.24 O ATOM 0 H SER A 834 18.065 8.031 -6.318 1.00 71.32 H new ATOM 0 HA SER A 834 16.372 10.337 -6.822 1.00 61.22 H new ATOM 0 HB2 SER A 834 15.487 9.938 -4.724 1.00 71.33 H new ATOM 0 HB3 SER A 834 15.945 8.321 -5.221 1.00 71.33 H new ATOM 0 HG SER A 834 16.648 8.807 -3.062 1.00 70.24 H new ATOM 875 N ASN A 835 19.336 10.781 -6.084 1.00 13.23 N ATOM 876 CA ASN A 835 20.379 11.722 -5.713 1.00 41.22 C ATOM 877 C ASN A 835 20.595 12.714 -6.858 1.00 2.10 C ATOM 878 O ASN A 835 21.308 13.704 -6.700 1.00 50.01 O ATOM 879 CB ASN A 835 21.704 11.002 -5.455 1.00 50.12 C ATOM 880 CG ASN A 835 21.468 9.634 -4.811 1.00 44.41 C ATOM 881 OD1 ASN A 835 20.833 8.757 -5.372 1.00 33.34 O ATOM 882 ND2 ASN A 835 22.014 9.503 -3.606 1.00 25.14 N ATOM 0 H ASN A 835 19.650 10.003 -6.664 1.00 13.23 H new ATOM 0 HA ASN A 835 20.064 12.234 -4.804 1.00 41.22 H new ATOM 0 HB2 ASN A 835 22.243 10.878 -6.394 1.00 50.12 H new ATOM 0 HB3 ASN A 835 22.332 11.611 -4.805 1.00 50.12 H new ATOM 0 HD21 ASN A 835 21.914 8.627 -3.093 1.00 25.14 H new ATOM 0 HD22 ASN A 835 22.533 10.278 -3.194 1.00 25.14 H new ATOM 889 N TYR A 836 19.967 12.414 -7.985 1.00 14.00 N ATOM 890 CA TYR A 836 20.081 13.267 -9.156 1.00 22.02 C ATOM 891 C TYR A 836 18.763 13.991 -9.438 1.00 2.12 C ATOM 892 O TYR A 836 18.668 14.767 -10.387 1.00 71.05 O ATOM 893 CB TYR A 836 20.398 12.335 -10.327 1.00 40.00 C ATOM 894 CG TYR A 836 21.879 11.973 -10.451 1.00 23.32 C ATOM 895 CD1 TYR A 836 22.475 11.170 -9.499 1.00 62.13 C ATOM 896 CD2 TYR A 836 22.620 12.448 -11.514 1.00 14.52 C ATOM 897 CE1 TYR A 836 23.869 10.829 -9.616 1.00 24.12 C ATOM 898 CE2 TYR A 836 24.014 12.107 -11.630 1.00 52.43 C ATOM 899 CZ TYR A 836 24.570 11.314 -10.676 1.00 12.44 C ATOM 900 OH TYR A 836 25.887 10.992 -10.786 1.00 14.34 O ATOM 0 H TYR A 836 19.377 11.592 -8.112 1.00 14.00 H new ATOM 0 HA TYR A 836 20.849 14.025 -9.005 1.00 22.02 H new ATOM 0 HB2 TYR A 836 19.819 11.418 -10.216 1.00 40.00 H new ATOM 0 HB3 TYR A 836 20.071 12.808 -11.253 1.00 40.00 H new ATOM 0 HD1 TYR A 836 21.896 10.798 -8.667 1.00 62.13 H new ATOM 0 HD2 TYR A 836 22.154 13.076 -12.259 1.00 14.52 H new ATOM 0 HE1 TYR A 836 24.348 10.202 -8.878 1.00 24.12 H new ATOM 0 HE2 TYR A 836 24.605 12.473 -12.457 1.00 52.43 H new ATOM 0 HH TYR A 836 26.259 11.407 -11.592 1.00 14.34 H new ATOM 910 N VAL A 837 17.779 13.712 -8.595 1.00 64.34 N ATOM 911 CA VAL A 837 16.471 14.327 -8.742 1.00 62.31 C ATOM 912 C VAL A 837 16.073 14.989 -7.422 1.00 12.13 C ATOM 913 O VAL A 837 16.853 15.006 -6.471 1.00 63.41 O ATOM 914 CB VAL A 837 15.455 13.287 -9.220 1.00 50.50 C ATOM 915 CG1 VAL A 837 15.962 12.557 -10.465 1.00 41.11 C ATOM 916 CG2 VAL A 837 15.116 12.298 -8.103 1.00 64.24 C ATOM 0 H VAL A 837 17.862 13.068 -7.808 1.00 64.34 H new ATOM 0 HA VAL A 837 16.499 15.108 -9.502 1.00 62.31 H new ATOM 0 HB VAL A 837 14.539 13.813 -9.490 1.00 50.50 H new ATOM 0 HG11 VAL A 837 15.221 11.824 -10.784 1.00 41.11 H new ATOM 0 HG12 VAL A 837 16.128 13.277 -11.266 1.00 41.11 H new ATOM 0 HG13 VAL A 837 16.898 12.050 -10.233 1.00 41.11 H new ATOM 0 HG21 VAL A 837 14.392 11.570 -8.469 1.00 64.24 H new ATOM 0 HG22 VAL A 837 16.022 11.781 -7.787 1.00 64.24 H new ATOM 0 HG23 VAL A 837 14.692 12.837 -7.256 1.00 64.24 H new ATOM 926 N GLU A 838 14.859 15.519 -7.405 1.00 53.11 N ATOM 927 CA GLU A 838 14.347 16.181 -6.217 1.00 43.10 C ATOM 928 C GLU A 838 13.003 15.575 -5.809 1.00 22.14 C ATOM 929 O GLU A 838 12.434 14.768 -6.542 1.00 31.34 O ATOM 930 CB GLU A 838 14.223 17.690 -6.440 1.00 61.44 C ATOM 931 CG GLU A 838 15.528 18.406 -6.086 1.00 61.54 C ATOM 932 CD GLU A 838 15.562 18.782 -4.604 1.00 2.12 C ATOM 933 OE1 GLU A 838 14.733 18.295 -3.821 1.00 71.22 O ATOM 934 OE2 GLU A 838 16.493 19.612 -4.273 1.00 51.03 O ATOM 0 H GLU A 838 14.215 15.503 -8.195 1.00 53.11 H new ATOM 0 HA GLU A 838 15.056 16.024 -5.404 1.00 43.10 H new ATOM 0 HB2 GLU A 838 13.967 17.887 -7.481 1.00 61.44 H new ATOM 0 HB3 GLU A 838 13.410 18.086 -5.831 1.00 61.44 H new ATOM 0 HG2 GLU A 838 16.376 17.762 -6.321 1.00 61.54 H new ATOM 0 HG3 GLU A 838 15.631 19.304 -6.695 1.00 61.54 H new ATOM 942 N GLU A 839 12.535 15.987 -4.640 1.00 12.41 N ATOM 943 CA GLU A 839 11.268 15.495 -4.125 1.00 43.12 C ATOM 944 C GLU A 839 10.581 16.574 -3.285 1.00 65.40 C ATOM 945 O GLU A 839 11.238 17.290 -2.531 1.00 21.44 O ATOM 946 CB GLU A 839 11.467 14.213 -3.315 1.00 21.32 C ATOM 947 CG GLU A 839 11.360 12.976 -4.210 1.00 2.41 C ATOM 948 CD GLU A 839 9.897 12.635 -4.501 1.00 24.23 C ATOM 949 OE1 GLU A 839 9.020 12.909 -3.669 1.00 55.41 O ATOM 950 OE2 GLU A 839 9.687 12.065 -5.638 1.00 75.45 O ATOM 0 H GLU A 839 13.010 16.656 -4.035 1.00 12.41 H new ATOM 0 HA GLU A 839 10.623 15.255 -4.970 1.00 43.12 H new ATOM 0 HB2 GLU A 839 12.443 14.232 -2.831 1.00 21.32 H new ATOM 0 HB3 GLU A 839 10.720 14.159 -2.523 1.00 21.32 H new ATOM 0 HG2 GLU A 839 11.889 13.153 -5.146 1.00 2.41 H new ATOM 0 HG3 GLU A 839 11.845 12.129 -3.725 1.00 2.41 H new ATOM 958 N ASP A 840 9.269 16.656 -3.444 1.00 33.21 N ATOM 959 CA ASP A 840 8.486 17.635 -2.709 1.00 73.14 C ATOM 960 C ASP A 840 9.250 18.959 -2.660 1.00 3.35 C ATOM 961 O ASP A 840 9.110 19.726 -1.708 1.00 32.22 O ATOM 962 CB ASP A 840 8.240 17.176 -1.271 1.00 1.44 C ATOM 963 CG ASP A 840 7.460 18.164 -0.401 1.00 54.54 C ATOM 964 OD1 ASP A 840 7.842 18.448 0.744 1.00 74.32 O ATOM 965 OD2 ASP A 840 6.403 18.659 -0.952 1.00 71.42 O ATOM 0 H ASP A 840 8.728 16.061 -4.071 1.00 33.21 H new ATOM 0 HA ASP A 840 7.529 17.753 -3.218 1.00 73.14 H new ATOM 0 HB2 ASP A 840 7.699 16.230 -1.295 1.00 1.44 H new ATOM 0 HB3 ASP A 840 9.203 16.980 -0.798 1.00 1.44 H new ATOM 971 N TYR A 841 10.043 19.188 -3.696 1.00 73.35 N ATOM 972 CA TYR A 841 10.830 20.406 -3.783 1.00 14.21 C ATOM 973 C TYR A 841 9.929 21.643 -3.774 1.00 34.34 C ATOM 974 O TYR A 841 10.278 22.665 -3.186 1.00 13.23 O ATOM 975 CB TYR A 841 11.567 20.338 -5.121 1.00 65.54 C ATOM 976 CG TYR A 841 10.681 19.930 -6.300 1.00 43.42 C ATOM 977 CD1 TYR A 841 9.917 20.879 -6.949 1.00 45.03 C ATOM 978 CD2 TYR A 841 10.646 18.614 -6.715 1.00 13.34 C ATOM 979 CE1 TYR A 841 9.083 20.496 -8.059 1.00 24.22 C ATOM 980 CE2 TYR A 841 9.812 18.231 -7.824 1.00 54.11 C ATOM 981 CZ TYR A 841 9.072 19.191 -8.441 1.00 74.24 C ATOM 982 OH TYR A 841 8.284 18.829 -9.489 1.00 72.23 O ATOM 0 H TYR A 841 10.157 18.550 -4.483 1.00 73.35 H new ATOM 0 HA TYR A 841 11.510 20.484 -2.935 1.00 14.21 H new ATOM 0 HB2 TYR A 841 12.008 21.313 -5.331 1.00 65.54 H new ATOM 0 HB3 TYR A 841 12.390 19.628 -5.035 1.00 65.54 H new ATOM 0 HD1 TYR A 841 9.945 21.909 -6.624 1.00 45.03 H new ATOM 0 HD2 TYR A 841 11.244 17.872 -6.208 1.00 13.34 H new ATOM 0 HE1 TYR A 841 8.480 21.228 -8.576 1.00 24.22 H new ATOM 0 HE2 TYR A 841 9.775 17.205 -8.158 1.00 54.11 H new ATOM 0 HH TYR A 841 8.002 19.630 -9.979 1.00 72.23 H new ATOM 992 N SER A 842 8.787 21.508 -4.432 1.00 52.51 N ATOM 993 CA SER A 842 7.833 22.602 -4.507 1.00 50.10 C ATOM 994 C SER A 842 6.416 22.050 -4.672 1.00 73.02 C ATOM 995 O SER A 842 6.217 21.025 -5.323 1.00 13.22 O ATOM 996 CB SER A 842 8.171 23.550 -5.660 1.00 21.34 C ATOM 997 OG SER A 842 7.944 22.947 -6.931 1.00 33.23 O ATOM 0 H SER A 842 8.501 20.658 -4.918 1.00 52.51 H new ATOM 0 HA SER A 842 7.889 23.169 -3.578 1.00 50.10 H new ATOM 0 HB2 SER A 842 7.568 24.454 -5.575 1.00 21.34 H new ATOM 0 HB3 SER A 842 9.215 23.855 -5.585 1.00 21.34 H new ATOM 0 HG SER A 842 8.190 21.999 -6.892 1.00 33.23 H new ATOM 1003 N GLU A 843 5.467 22.754 -4.072 1.00 22.21 N ATOM 1004 CA GLU A 843 4.074 22.347 -4.144 1.00 61.03 C ATOM 1005 C GLU A 843 3.393 22.997 -5.350 1.00 63.15 C ATOM 1006 O GLU A 843 3.548 24.195 -5.584 1.00 35.31 O ATOM 1007 CB GLU A 843 3.335 22.687 -2.848 1.00 45.54 C ATOM 1008 CG GLU A 843 2.872 24.146 -2.849 1.00 33.55 C ATOM 1009 CD GLU A 843 2.531 24.613 -1.432 1.00 25.32 C ATOM 1010 OE1 GLU A 843 2.879 23.933 -0.455 1.00 32.13 O ATOM 1011 OE2 GLU A 843 1.883 25.726 -1.366 1.00 20.02 O ATOM 0 H GLU A 843 5.636 23.604 -3.534 1.00 22.21 H new ATOM 0 HA GLU A 843 4.038 21.265 -4.270 1.00 61.03 H new ATOM 0 HB2 GLU A 843 2.474 22.028 -2.732 1.00 45.54 H new ATOM 0 HB3 GLU A 843 3.989 22.510 -1.994 1.00 45.54 H new ATOM 0 HG2 GLU A 843 3.655 24.780 -3.266 1.00 33.55 H new ATOM 0 HG3 GLU A 843 1.998 24.254 -3.492 1.00 33.55 H new ATOM 1019 N TYR A 844 2.655 22.178 -6.085 1.00 14.30 N ATOM 1020 CA TYR A 844 1.950 22.659 -7.261 1.00 73.53 C ATOM 1021 C TYR A 844 0.452 22.359 -7.164 1.00 4.34 C ATOM 1022 O TYR A 844 -0.217 22.182 -8.180 1.00 44.35 O ATOM 1023 CB TYR A 844 2.535 21.889 -8.447 1.00 40.11 C ATOM 1024 CG TYR A 844 1.924 20.501 -8.651 1.00 41.30 C ATOM 1025 CD1 TYR A 844 2.413 19.421 -7.944 1.00 44.35 C ATOM 1026 CD2 TYR A 844 0.884 20.329 -9.541 1.00 51.34 C ATOM 1027 CE1 TYR A 844 1.838 18.115 -8.136 1.00 44.14 C ATOM 1028 CE2 TYR A 844 0.309 19.023 -9.733 1.00 51.13 C ATOM 1029 CZ TYR A 844 0.815 17.980 -9.021 1.00 55.53 C ATOM 1030 OH TYR A 844 0.271 16.747 -9.202 1.00 65.15 O ATOM 0 H TYR A 844 2.530 21.185 -5.889 1.00 14.30 H new ATOM 0 HA TYR A 844 2.066 23.738 -7.363 1.00 73.53 H new ATOM 0 HB2 TYR A 844 2.390 22.475 -9.354 1.00 40.11 H new ATOM 0 HB3 TYR A 844 3.610 21.784 -8.304 1.00 40.11 H new ATOM 0 HD1 TYR A 844 3.227 19.556 -7.247 1.00 44.35 H new ATOM 0 HD2 TYR A 844 0.501 21.174 -10.094 1.00 51.34 H new ATOM 0 HE1 TYR A 844 2.211 17.262 -7.589 1.00 44.14 H new ATOM 0 HE2 TYR A 844 -0.506 18.875 -10.427 1.00 51.13 H new ATOM 0 HH TYR A 844 -0.451 16.802 -9.862 1.00 65.15 H new ATOM 1040 N LEU A 845 -0.030 22.312 -5.930 1.00 62.24 N ATOM 1041 CA LEU A 845 -1.436 22.037 -5.687 1.00 4.04 C ATOM 1042 C LEU A 845 -2.287 22.866 -6.650 1.00 74.54 C ATOM 1043 O LEU A 845 -1.826 23.873 -7.183 1.00 43.41 O ATOM 1044 CB LEU A 845 -1.778 22.264 -4.213 1.00 31.23 C ATOM 1045 CG LEU A 845 -1.535 21.078 -3.277 1.00 65.44 C ATOM 1046 CD1 LEU A 845 -2.703 20.092 -3.327 1.00 33.43 C ATOM 1047 CD2 LEU A 845 -0.199 20.399 -3.588 1.00 42.44 C ATOM 0 H LEU A 845 0.528 22.460 -5.089 1.00 62.24 H new ATOM 0 HA LEU A 845 -1.660 20.989 -5.885 1.00 4.04 H new ATOM 0 HB2 LEU A 845 -1.195 23.112 -3.852 1.00 31.23 H new ATOM 0 HB3 LEU A 845 -2.828 22.547 -4.144 1.00 31.23 H new ATOM 0 HG LEU A 845 -1.475 21.455 -2.256 1.00 65.44 H new ATOM 0 HD11 LEU A 845 -2.505 19.259 -2.653 1.00 33.43 H new ATOM 0 HD12 LEU A 845 -3.619 20.597 -3.020 1.00 33.43 H new ATOM 0 HD13 LEU A 845 -2.819 19.716 -4.344 1.00 33.43 H new ATOM 0 HD21 LEU A 845 -0.051 19.560 -2.909 1.00 42.44 H new ATOM 0 HD22 LEU A 845 -0.205 20.037 -4.616 1.00 42.44 H new ATOM 0 HD23 LEU A 845 0.612 21.116 -3.461 1.00 42.44 H new ATOM 1059 N PRO A 846 -3.549 22.398 -6.850 1.00 63.32 N ATOM 1060 CA PRO A 846 -4.469 23.084 -7.740 1.00 52.25 C ATOM 1061 C PRO A 846 -5.008 24.361 -7.093 1.00 53.42 C ATOM 1062 O PRO A 846 -5.352 24.366 -5.912 1.00 61.31 O ATOM 1063 CB PRO A 846 -5.557 22.066 -8.043 1.00 0.45 C ATOM 1064 CG PRO A 846 -5.457 21.013 -6.951 1.00 42.02 C ATOM 1065 CD PRO A 846 -4.130 21.207 -6.236 1.00 43.33 C ATOM 0 HA PRO A 846 -3.991 23.422 -8.660 1.00 52.25 H new ATOM 0 HB2 PRO A 846 -6.541 22.535 -8.045 1.00 0.45 H new ATOM 0 HB3 PRO A 846 -5.413 21.622 -9.028 1.00 0.45 H new ATOM 0 HG2 PRO A 846 -6.286 21.110 -6.250 1.00 42.02 H new ATOM 0 HG3 PRO A 846 -5.517 20.012 -7.379 1.00 42.02 H new ATOM 0 HD2 PRO A 846 -4.274 21.344 -5.164 1.00 43.33 H new ATOM 0 HD3 PRO A 846 -3.482 20.340 -6.362 1.00 43.33 H new ATOM 1073 N GLU A 847 -5.066 25.414 -7.895 1.00 43.43 N ATOM 1074 CA GLU A 847 -5.557 26.695 -7.415 1.00 73.24 C ATOM 1075 C GLU A 847 -6.928 26.524 -6.757 1.00 41.21 C ATOM 1076 O GLU A 847 -7.725 25.690 -7.183 1.00 33.13 O ATOM 1077 CB GLU A 847 -5.618 27.719 -8.550 1.00 41.03 C ATOM 1078 CG GLU A 847 -4.215 28.184 -8.944 1.00 44.43 C ATOM 1079 CD GLU A 847 -4.278 29.435 -9.823 1.00 55.22 C ATOM 1080 OE1 GLU A 847 -4.903 29.409 -10.894 1.00 14.30 O ATOM 1081 OE2 GLU A 847 -3.650 30.461 -9.358 1.00 10.21 O ATOM 0 H GLU A 847 -4.781 25.406 -8.874 1.00 43.43 H new ATOM 0 HA GLU A 847 -4.860 27.072 -6.667 1.00 73.24 H new ATOM 0 HB2 GLU A 847 -6.116 27.280 -9.415 1.00 41.03 H new ATOM 0 HB3 GLU A 847 -6.215 28.576 -8.240 1.00 41.03 H new ATOM 0 HG2 GLU A 847 -3.633 28.395 -8.047 1.00 44.43 H new ATOM 0 HG3 GLU A 847 -3.700 27.386 -9.478 1.00 44.43 H new ATOM 1089 N THR A 848 -7.160 27.328 -5.730 1.00 4.12 N ATOM 1090 CA THR A 848 -8.420 27.277 -5.009 1.00 30.54 C ATOM 1091 C THR A 848 -9.522 27.970 -5.811 1.00 54.32 C ATOM 1092 O THR A 848 -9.261 28.938 -6.524 1.00 11.11 O ATOM 1093 CB THR A 848 -8.198 27.890 -3.625 1.00 32.14 C ATOM 1094 OG1 THR A 848 -7.678 29.188 -3.899 1.00 71.24 O ATOM 1095 CG2 THR A 848 -7.077 27.196 -2.849 1.00 63.43 C ATOM 0 H THR A 848 -6.496 28.019 -5.380 1.00 4.12 H new ATOM 0 HA THR A 848 -8.757 26.249 -4.875 1.00 30.54 H new ATOM 0 HB THR A 848 -9.124 27.835 -3.052 1.00 32.14 H new ATOM 0 HG1 THR A 848 -7.507 29.657 -3.055 1.00 71.24 H new ATOM 0 HG21 THR A 848 -6.962 27.670 -1.874 1.00 63.43 H new ATOM 0 HG22 THR A 848 -7.326 26.144 -2.713 1.00 63.43 H new ATOM 0 HG23 THR A 848 -6.144 27.279 -3.406 1.00 63.43 H new TER 1103 THR A 848