USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 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 30:sc= -0.998 USER MOD Single : A 783 THR OG1 : rot 180:sc= 0 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 -105:sc= 0.998 USER MOD Single : A 802 SER OG : rot 160:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 153:sc= -0.311 (180deg=-1.17) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 814 LYS NZ :NH3+ 171:sc= -3.06! (180deg=-3.74!) USER MOD Single : A 815 LYS NZ :NH3+ -176:sc= -1.17 (180deg=-1.4) USER MOD Single : A 817 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 818 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.043) USER MOD Single : A 826 TYR OH : rot 122:sc= 1.1 USER MOD Single : A 834 SER OG : rot -94:sc= 0.0109 USER MOD Single : A 835 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.1!) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 SER OG : rot -40:sc= 1.22 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 -1.855 4.277 -13.588 1.00 3.31 N ATOM 2 CA GLY A 780 -1.117 5.323 -12.899 1.00 62.34 C ATOM 3 C GLY A 780 -1.971 5.967 -11.805 1.00 43.04 C ATOM 4 O GLY A 780 -2.567 7.021 -12.019 1.00 14.23 O ATOM 0 HA2 GLY A 780 -0.211 4.905 -12.459 1.00 62.34 H new ATOM 0 HA3 GLY A 780 -0.803 6.083 -13.614 1.00 62.34 H new ATOM 8 N PRO A 781 -2.003 5.289 -10.627 1.00 64.30 N ATOM 9 CA PRO A 781 -2.773 5.784 -9.499 1.00 74.32 C ATOM 10 C PRO A 781 -2.074 6.972 -8.836 1.00 63.01 C ATOM 11 O PRO A 781 -2.701 7.995 -8.568 1.00 0.52 O ATOM 12 CB PRO A 781 -2.924 4.590 -8.571 1.00 61.51 C ATOM 13 CG PRO A 781 -1.845 3.602 -8.985 1.00 31.34 C ATOM 14 CD PRO A 781 -1.308 4.037 -10.338 1.00 54.32 C ATOM 0 HA PRO A 781 -3.749 6.169 -9.793 1.00 74.32 H new ATOM 0 HB2 PRO A 781 -2.803 4.887 -7.529 1.00 61.51 H new ATOM 0 HB3 PRO A 781 -3.916 4.147 -8.663 1.00 61.51 H new ATOM 0 HG2 PRO A 781 -1.044 3.580 -8.246 1.00 31.34 H new ATOM 0 HG3 PRO A 781 -2.253 2.593 -9.043 1.00 31.34 H new ATOM 0 HD2 PRO A 781 -0.228 4.181 -10.308 1.00 54.32 H new ATOM 0 HD3 PRO A 781 -1.508 3.287 -11.103 1.00 54.32 H new ATOM 22 N GLY A 782 -0.784 6.797 -8.591 1.00 64.51 N ATOM 23 CA GLY A 782 0.008 7.842 -7.965 1.00 22.43 C ATOM 24 C GLY A 782 0.349 7.478 -6.518 1.00 45.31 C ATOM 25 O GLY A 782 -0.332 7.908 -5.589 1.00 13.31 O ATOM 0 H GLY A 782 -0.267 5.947 -8.815 1.00 64.51 H new ATOM 0 HA2 GLY A 782 0.927 7.996 -8.531 1.00 22.43 H new ATOM 0 HA3 GLY A 782 -0.542 8.783 -7.987 1.00 22.43 H new ATOM 29 N THR A 783 1.405 6.690 -6.373 1.00 14.33 N ATOM 30 CA THR A 783 1.845 6.264 -5.055 1.00 54.30 C ATOM 31 C THR A 783 2.358 7.461 -4.251 1.00 74.15 C ATOM 32 O THR A 783 1.783 7.815 -3.223 1.00 53.45 O ATOM 33 CB THR A 783 2.890 5.163 -5.239 1.00 22.30 C ATOM 34 OG1 THR A 783 2.121 3.997 -5.522 1.00 14.32 O ATOM 35 CG2 THR A 783 3.617 4.822 -3.937 1.00 3.04 C ATOM 0 H THR A 783 1.968 6.336 -7.146 1.00 14.33 H new ATOM 0 HA THR A 783 1.018 5.854 -4.475 1.00 54.30 H new ATOM 0 HB THR A 783 3.616 5.475 -5.990 1.00 22.30 H new ATOM 0 HG1 THR A 783 2.721 3.234 -5.657 1.00 14.32 H new ATOM 0 HG21 THR A 783 4.348 4.035 -4.124 1.00 3.04 H new ATOM 0 HG22 THR A 783 4.127 5.709 -3.562 1.00 3.04 H new ATOM 0 HG23 THR A 783 2.895 4.478 -3.196 1.00 3.04 H new ATOM 43 N PHE A 784 3.434 8.051 -4.751 1.00 30.53 N ATOM 44 CA PHE A 784 4.031 9.200 -4.092 1.00 70.01 C ATOM 45 C PHE A 784 3.644 10.500 -4.800 1.00 70.13 C ATOM 46 O PHE A 784 2.887 11.304 -4.259 1.00 3.42 O ATOM 47 CB PHE A 784 5.549 9.022 -4.171 1.00 55.41 C ATOM 48 CG PHE A 784 6.083 7.858 -3.335 1.00 60.43 C ATOM 49 CD1 PHE A 784 6.373 8.042 -2.019 1.00 60.44 C ATOM 50 CD2 PHE A 784 6.268 6.638 -3.908 1.00 41.13 C ATOM 51 CE1 PHE A 784 6.869 6.961 -1.244 1.00 20.43 C ATOM 52 CE2 PHE A 784 6.764 5.557 -3.133 1.00 1.14 C ATOM 53 CZ PHE A 784 7.054 5.741 -1.817 1.00 0.13 C ATOM 0 H PHE A 784 3.908 7.755 -5.604 1.00 30.53 H new ATOM 0 HA PHE A 784 3.682 9.261 -3.061 1.00 70.01 H new ATOM 0 HB2 PHE A 784 5.833 8.868 -5.212 1.00 55.41 H new ATOM 0 HB3 PHE A 784 6.030 9.943 -3.842 1.00 55.41 H new ATOM 0 HD1 PHE A 784 6.226 9.010 -1.564 1.00 60.44 H new ATOM 0 HD2 PHE A 784 6.037 6.492 -4.953 1.00 41.13 H new ATOM 0 HE1 PHE A 784 7.100 7.107 -0.199 1.00 20.43 H new ATOM 0 HE2 PHE A 784 6.911 4.589 -3.588 1.00 1.14 H new ATOM 0 HZ PHE A 784 7.431 4.919 -1.227 1.00 0.13 H new ATOM 63 N GLY A 785 4.181 10.665 -6.000 1.00 52.03 N ATOM 64 CA GLY A 785 3.901 11.853 -6.788 1.00 41.51 C ATOM 65 C GLY A 785 4.830 11.939 -8.001 1.00 24.33 C ATOM 66 O GLY A 785 4.667 11.194 -8.966 1.00 22.12 O ATOM 0 H GLY A 785 4.809 9.996 -6.446 1.00 52.03 H new ATOM 0 HA2 GLY A 785 2.863 11.836 -7.121 1.00 41.51 H new ATOM 0 HA3 GLY A 785 4.023 12.742 -6.169 1.00 41.51 H new ATOM 70 N THR A 786 5.785 12.853 -7.911 1.00 52.34 N ATOM 71 CA THR A 786 6.740 13.046 -8.989 1.00 63.51 C ATOM 72 C THR A 786 8.089 13.503 -8.431 1.00 22.33 C ATOM 73 O THR A 786 8.223 13.731 -7.229 1.00 54.34 O ATOM 74 CB THR A 786 6.132 14.030 -9.990 1.00 70.22 C ATOM 75 OG1 THR A 786 5.520 15.023 -9.172 1.00 43.42 O ATOM 76 CG2 THR A 786 4.966 13.423 -10.774 1.00 23.24 C ATOM 0 H THR A 786 5.918 13.468 -7.108 1.00 52.34 H new ATOM 0 HA THR A 786 6.940 12.111 -9.512 1.00 63.51 H new ATOM 0 HB THR A 786 6.903 14.363 -10.685 1.00 70.22 H new ATOM 0 HG1 THR A 786 5.102 15.703 -9.741 1.00 43.42 H new ATOM 0 HG21 THR A 786 4.571 14.163 -11.470 1.00 23.24 H new ATOM 0 HG22 THR A 786 5.315 12.552 -11.329 1.00 23.24 H new ATOM 0 HG23 THR A 786 4.180 13.121 -10.082 1.00 23.24 H new ATOM 84 N ALA A 787 9.056 13.622 -9.329 1.00 54.41 N ATOM 85 CA ALA A 787 10.390 14.048 -8.941 1.00 54.12 C ATOM 86 C ALA A 787 10.980 14.928 -10.045 1.00 4.14 C ATOM 87 O ALA A 787 11.298 14.441 -11.129 1.00 13.23 O ATOM 88 CB ALA A 787 11.253 12.819 -8.650 1.00 44.32 C ATOM 0 H ALA A 787 8.942 13.431 -10.324 1.00 54.41 H new ATOM 0 HA ALA A 787 10.354 14.644 -8.029 1.00 54.12 H new ATOM 0 HB1 ALA A 787 12.254 13.138 -8.359 1.00 44.32 H new ATOM 0 HB2 ALA A 787 10.805 12.244 -7.840 1.00 44.32 H new ATOM 0 HB3 ALA A 787 11.316 12.198 -9.544 1.00 44.32 H new ATOM 94 N LYS A 788 11.110 16.209 -9.730 1.00 62.43 N ATOM 95 CA LYS A 788 11.657 17.161 -10.682 1.00 2.14 C ATOM 96 C LYS A 788 13.171 16.964 -10.780 1.00 43.33 C ATOM 97 O LYS A 788 13.893 17.176 -9.807 1.00 21.30 O ATOM 98 CB LYS A 788 11.245 18.587 -10.309 1.00 63.24 C ATOM 99 CG LYS A 788 11.014 19.435 -11.562 1.00 14.14 C ATOM 100 CD LYS A 788 10.102 20.625 -11.256 1.00 42.54 C ATOM 101 CE LYS A 788 10.503 21.849 -12.083 1.00 4.15 C ATOM 102 NZ LYS A 788 9.517 22.939 -11.908 1.00 31.50 N ATOM 0 H LYS A 788 10.846 16.609 -8.830 1.00 62.43 H new ATOM 0 HA LYS A 788 11.247 16.985 -11.677 1.00 2.14 H new ATOM 0 HB2 LYS A 788 10.335 18.562 -9.709 1.00 63.24 H new ATOM 0 HB3 LYS A 788 12.020 19.044 -9.693 1.00 63.24 H new ATOM 0 HG2 LYS A 788 11.970 19.793 -11.945 1.00 14.14 H new ATOM 0 HG3 LYS A 788 10.567 18.821 -12.344 1.00 14.14 H new ATOM 0 HD2 LYS A 788 9.067 20.359 -11.471 1.00 42.54 H new ATOM 0 HD3 LYS A 788 10.155 20.865 -10.194 1.00 42.54 H new ATOM 0 HE2 LYS A 788 11.492 22.193 -11.779 1.00 4.15 H new ATOM 0 HE3 LYS A 788 10.570 21.577 -13.136 1.00 4.15 H new ATOM 0 HZ1 LYS A 788 9.804 23.762 -12.476 1.00 31.50 H new ATOM 0 HZ2 LYS A 788 8.580 22.613 -12.220 1.00 31.50 H new ATOM 0 HZ3 LYS A 788 9.473 23.209 -10.905 1.00 31.50 H new ATOM 115 N ALA A 789 13.608 16.562 -11.965 1.00 34.23 N ATOM 116 CA ALA A 789 15.023 16.334 -12.203 1.00 52.12 C ATOM 117 C ALA A 789 15.809 17.588 -11.814 1.00 62.51 C ATOM 118 O ALA A 789 15.411 18.703 -12.147 1.00 61.31 O ATOM 119 CB ALA A 789 15.237 15.942 -13.666 1.00 64.05 C ATOM 0 H ALA A 789 13.007 16.388 -12.770 1.00 34.23 H new ATOM 0 HA ALA A 789 15.389 15.512 -11.588 1.00 52.12 H new ATOM 0 HB1 ALA A 789 16.298 15.771 -13.845 1.00 64.05 H new ATOM 0 HB2 ALA A 789 14.681 15.030 -13.884 1.00 64.05 H new ATOM 0 HB3 ALA A 789 14.885 16.745 -14.313 1.00 64.05 H new ATOM 125 N ARG A 790 16.912 17.362 -11.115 1.00 14.14 N ATOM 126 CA ARG A 790 17.757 18.459 -10.677 1.00 4.44 C ATOM 127 C ARG A 790 19.062 18.476 -11.476 1.00 54.34 C ATOM 128 O ARG A 790 19.870 19.393 -11.334 1.00 33.54 O ATOM 129 CB ARG A 790 18.083 18.343 -9.186 1.00 53.02 C ATOM 130 CG ARG A 790 16.871 18.715 -8.330 1.00 34.22 C ATOM 131 CD ARG A 790 16.470 20.175 -8.550 1.00 44.05 C ATOM 132 NE ARG A 790 15.872 20.728 -7.315 1.00 3.20 N ATOM 133 CZ ARG A 790 15.164 21.876 -7.265 1.00 53.24 C ATOM 134 NH1 ARG A 790 14.958 22.604 -8.384 1.00 64.50 N ATOM 135 NH2 ARG A 790 14.675 22.277 -6.107 1.00 34.14 N ATOM 0 H ARG A 790 17.239 16.436 -10.842 1.00 14.14 H new ATOM 0 HA ARG A 790 17.210 19.386 -10.847 1.00 4.44 H new ATOM 0 HB2 ARG A 790 18.396 17.324 -8.957 1.00 53.02 H new ATOM 0 HB3 ARG A 790 18.920 18.997 -8.941 1.00 53.02 H new ATOM 0 HG2 ARG A 790 16.033 18.063 -8.577 1.00 34.22 H new ATOM 0 HG3 ARG A 790 17.102 18.552 -7.277 1.00 34.22 H new ATOM 0 HD2 ARG A 790 17.343 20.761 -8.835 1.00 44.05 H new ATOM 0 HD3 ARG A 790 15.757 20.245 -9.372 1.00 44.05 H new ATOM 0 HE ARG A 790 16.003 20.209 -6.447 1.00 3.20 H new ATOM 0 HH11 ARG A 790 15.339 22.287 -9.276 1.00 64.50 H new ATOM 0 HH12 ARG A 790 14.422 23.470 -8.337 1.00 64.50 H new ATOM 0 HH21 ARG A 790 14.834 21.722 -5.266 1.00 34.14 H new ATOM 0 HH22 ARG A 790 14.138 23.142 -6.052 1.00 34.14 H new ATOM 148 N TYR A 791 19.226 17.452 -12.301 1.00 3.13 N ATOM 149 CA TYR A 791 20.419 17.338 -13.123 1.00 74.33 C ATOM 150 C TYR A 791 20.089 16.720 -14.484 1.00 11.12 C ATOM 151 O TYR A 791 19.351 15.739 -14.562 1.00 21.03 O ATOM 152 CB TYR A 791 21.364 16.402 -12.368 1.00 1.04 C ATOM 153 CG TYR A 791 21.856 16.961 -11.031 1.00 35.12 C ATOM 154 CD1 TYR A 791 21.109 16.769 -9.886 1.00 54.33 C ATOM 155 CD2 TYR A 791 23.046 17.657 -10.969 1.00 71.34 C ATOM 156 CE1 TYR A 791 21.571 17.295 -8.628 1.00 41.42 C ATOM 157 CE2 TYR A 791 23.508 18.183 -9.711 1.00 64.23 C ATOM 158 CZ TYR A 791 22.748 17.976 -8.603 1.00 2.22 C ATOM 159 OH TYR A 791 23.185 18.473 -7.415 1.00 10.05 O ATOM 0 H TYR A 791 18.553 16.694 -12.418 1.00 3.13 H new ATOM 0 HA TYR A 791 20.858 18.320 -13.301 1.00 74.33 H new ATOM 0 HB2 TYR A 791 20.855 15.455 -12.189 1.00 1.04 H new ATOM 0 HB3 TYR A 791 22.226 16.186 -12.999 1.00 1.04 H new ATOM 0 HD1 TYR A 791 20.178 16.224 -9.934 1.00 54.33 H new ATOM 0 HD2 TYR A 791 23.631 17.807 -11.864 1.00 71.34 H new ATOM 0 HE1 TYR A 791 20.996 17.152 -7.725 1.00 41.42 H new ATOM 0 HE2 TYR A 791 24.437 18.730 -9.649 1.00 64.23 H new ATOM 0 HH TYR A 791 24.039 18.935 -7.548 1.00 10.05 H new ATOM 169 N ASP A 792 20.652 17.320 -15.522 1.00 54.23 N ATOM 170 CA ASP A 792 20.427 16.841 -16.876 1.00 13.43 C ATOM 171 C ASP A 792 21.103 15.480 -17.049 1.00 75.22 C ATOM 172 O ASP A 792 22.300 15.407 -17.320 1.00 3.25 O ATOM 173 CB ASP A 792 21.025 17.801 -17.906 1.00 3.01 C ATOM 174 CG ASP A 792 22.426 18.318 -17.571 1.00 61.53 C ATOM 175 OD1 ASP A 792 22.660 18.871 -16.487 1.00 4.22 O ATOM 176 OD2 ASP A 792 23.311 18.130 -18.491 1.00 75.34 O ATOM 0 H ASP A 792 21.264 18.133 -15.453 1.00 54.23 H new ATOM 0 HA ASP A 792 19.351 16.768 -17.034 1.00 13.43 H new ATOM 0 HB2 ASP A 792 21.061 17.297 -18.872 1.00 3.01 H new ATOM 0 HB3 ASP A 792 20.356 18.654 -18.017 1.00 3.01 H new ATOM 182 N PHE A 793 20.305 14.434 -16.887 1.00 2.23 N ATOM 183 CA PHE A 793 20.811 13.079 -17.022 1.00 63.10 C ATOM 184 C PHE A 793 20.826 12.643 -18.489 1.00 34.25 C ATOM 185 O PHE A 793 20.351 13.369 -19.361 1.00 4.35 O ATOM 186 CB PHE A 793 19.863 12.167 -16.240 1.00 42.34 C ATOM 187 CG PHE A 793 20.537 10.924 -15.656 1.00 14.14 C ATOM 188 CD1 PHE A 793 21.756 11.027 -15.062 1.00 33.13 C ATOM 189 CD2 PHE A 793 19.916 9.716 -15.730 1.00 11.23 C ATOM 190 CE1 PHE A 793 22.381 9.873 -14.519 1.00 14.12 C ATOM 191 CE2 PHE A 793 20.541 8.562 -15.187 1.00 12.51 C ATOM 192 CZ PHE A 793 21.760 8.665 -14.593 1.00 11.21 C ATOM 0 H PHE A 793 19.312 14.498 -16.664 1.00 2.23 H new ATOM 0 HA PHE A 793 21.832 13.024 -16.644 1.00 63.10 H new ATOM 0 HB2 PHE A 793 19.412 12.739 -15.429 1.00 42.34 H new ATOM 0 HB3 PHE A 793 19.052 11.853 -16.898 1.00 42.34 H new ATOM 0 HD1 PHE A 793 22.249 11.986 -15.003 1.00 33.13 H new ATOM 0 HD2 PHE A 793 18.948 9.634 -16.202 1.00 11.23 H new ATOM 0 HE1 PHE A 793 23.349 9.955 -14.047 1.00 14.12 H new ATOM 0 HE2 PHE A 793 20.048 7.603 -15.246 1.00 12.51 H new ATOM 0 HZ PHE A 793 22.235 7.788 -14.180 1.00 11.21 H new ATOM 202 N CYS A 794 21.375 11.458 -18.715 1.00 54.52 N ATOM 203 CA CYS A 794 21.457 10.917 -20.061 1.00 71.10 C ATOM 204 C CYS A 794 21.459 9.390 -19.965 1.00 53.01 C ATOM 205 O CYS A 794 22.437 8.794 -19.518 1.00 64.33 O ATOM 206 CB CYS A 794 22.684 11.443 -20.809 1.00 13.35 C ATOM 207 SG CYS A 794 22.847 10.593 -22.420 1.00 60.35 S ATOM 0 H CYS A 794 21.767 10.858 -17.989 1.00 54.52 H new ATOM 0 HA CYS A 794 20.593 11.243 -20.640 1.00 71.10 H new ATOM 0 HB2 CYS A 794 22.593 12.518 -20.963 1.00 13.35 H new ATOM 0 HB3 CYS A 794 23.581 11.282 -20.211 1.00 13.35 H new ATOM 0 HG CYS A 794 23.890 11.049 -23.047 1.00 60.35 H new ATOM 213 N ALA A 795 20.351 8.801 -20.392 1.00 25.20 N ATOM 214 CA ALA A 795 20.213 7.355 -20.360 1.00 21.32 C ATOM 215 C ALA A 795 21.045 6.742 -21.488 1.00 23.11 C ATOM 216 O ALA A 795 21.048 7.249 -22.608 1.00 40.54 O ATOM 217 CB ALA A 795 18.733 6.981 -20.458 1.00 53.12 C ATOM 0 H ALA A 795 19.541 9.299 -20.762 1.00 25.20 H new ATOM 0 HA ALA A 795 20.589 6.955 -19.418 1.00 21.32 H new ATOM 0 HB1 ALA A 795 18.629 5.896 -20.434 1.00 53.12 H new ATOM 0 HB2 ALA A 795 18.191 7.416 -19.618 1.00 53.12 H new ATOM 0 HB3 ALA A 795 18.322 7.364 -21.392 1.00 53.12 H new ATOM 223 N ARG A 796 21.732 5.659 -21.153 1.00 15.21 N ATOM 224 CA ARG A 796 22.566 4.972 -22.124 1.00 31.32 C ATOM 225 C ARG A 796 22.051 3.549 -22.354 1.00 11.44 C ATOM 226 O ARG A 796 22.510 2.859 -23.262 1.00 73.41 O ATOM 227 CB ARG A 796 24.021 4.910 -21.654 1.00 53.44 C ATOM 228 CG ARG A 796 24.103 4.879 -20.127 1.00 2.31 C ATOM 229 CD ARG A 796 23.550 3.564 -19.575 1.00 24.23 C ATOM 230 NE ARG A 796 24.174 2.419 -20.275 1.00 41.02 N ATOM 231 CZ ARG A 796 25.327 1.832 -19.889 1.00 11.32 C ATOM 232 NH1 ARG A 796 25.992 2.279 -18.802 1.00 65.25 N ATOM 233 NH2 ARG A 796 25.794 0.815 -20.589 1.00 54.43 N ATOM 0 H ARG A 796 21.728 5.241 -20.223 1.00 15.21 H new ATOM 0 HA ARG A 796 22.520 5.534 -23.057 1.00 31.32 H new ATOM 0 HB2 ARG A 796 24.502 4.023 -22.066 1.00 53.44 H new ATOM 0 HB3 ARG A 796 24.567 5.774 -22.034 1.00 53.44 H new ATOM 0 HG2 ARG A 796 25.139 5.002 -19.812 1.00 2.31 H new ATOM 0 HG3 ARG A 796 23.542 5.716 -19.712 1.00 2.31 H new ATOM 0 HD2 ARG A 796 23.747 3.498 -18.505 1.00 24.23 H new ATOM 0 HD3 ARG A 796 22.468 3.533 -19.703 1.00 24.23 H new ATOM 0 HE ARG A 796 23.703 2.050 -21.101 1.00 41.02 H new ATOM 0 HH11 ARG A 796 25.624 3.065 -18.266 1.00 65.25 H new ATOM 0 HH12 ARG A 796 26.862 1.830 -18.516 1.00 65.25 H new ATOM 0 HH21 ARG A 796 25.285 0.483 -21.408 1.00 54.43 H new ATOM 0 HH22 ARG A 796 26.664 0.361 -20.310 1.00 54.43 H new ATOM 246 N ASP A 797 21.105 3.154 -21.515 1.00 13.02 N ATOM 247 CA ASP A 797 20.523 1.826 -21.615 1.00 54.51 C ATOM 248 C ASP A 797 19.034 1.900 -21.269 1.00 21.44 C ATOM 249 O ASP A 797 18.566 2.905 -20.737 1.00 35.23 O ATOM 250 CB ASP A 797 21.189 0.858 -20.636 1.00 73.43 C ATOM 251 CG ASP A 797 20.580 -0.546 -20.601 1.00 3.24 C ATOM 252 OD1 ASP A 797 20.455 -1.161 -19.531 1.00 44.31 O ATOM 253 OD2 ASP A 797 20.221 -1.014 -21.748 1.00 5.21 O ATOM 0 H ASP A 797 20.727 3.730 -20.763 1.00 13.02 H new ATOM 0 HA ASP A 797 20.672 1.467 -22.633 1.00 54.51 H new ATOM 0 HB2 ASP A 797 22.245 0.774 -20.893 1.00 73.43 H new ATOM 0 HB3 ASP A 797 21.138 1.285 -19.634 1.00 73.43 H new ATOM 259 N ARG A 798 18.332 0.821 -21.584 1.00 41.24 N ATOM 260 CA ARG A 798 16.906 0.750 -21.313 1.00 44.31 C ATOM 261 C ARG A 798 16.660 0.559 -19.815 1.00 52.42 C ATOM 262 O ARG A 798 15.520 0.622 -19.357 1.00 40.42 O ATOM 263 CB ARG A 798 16.256 -0.402 -22.081 1.00 23.30 C ATOM 264 CG ARG A 798 16.368 -0.187 -23.592 1.00 5.03 C ATOM 265 CD ARG A 798 15.193 0.639 -24.116 1.00 54.55 C ATOM 266 NE ARG A 798 15.534 1.227 -25.431 1.00 50.31 N ATOM 267 CZ ARG A 798 15.461 0.558 -26.601 1.00 40.13 C ATOM 268 NH1 ARG A 798 15.057 -0.730 -26.630 1.00 44.11 N ATOM 269 NH2 ARG A 798 15.790 1.182 -27.717 1.00 23.00 N ATOM 0 H ARG A 798 18.724 -0.011 -22.024 1.00 41.24 H new ATOM 0 HA ARG A 798 16.459 1.688 -21.642 1.00 44.31 H new ATOM 0 HB2 ARG A 798 16.735 -1.342 -21.807 1.00 23.30 H new ATOM 0 HB3 ARG A 798 15.206 -0.485 -21.799 1.00 23.30 H new ATOM 0 HG2 ARG A 798 17.305 0.320 -23.822 1.00 5.03 H new ATOM 0 HG3 ARG A 798 16.394 -1.151 -24.099 1.00 5.03 H new ATOM 0 HD2 ARG A 798 14.308 0.010 -24.208 1.00 54.55 H new ATOM 0 HD3 ARG A 798 14.949 1.430 -23.407 1.00 54.55 H new ATOM 0 HE ARG A 798 15.844 2.199 -25.454 1.00 50.31 H new ATOM 0 HH11 ARG A 798 14.804 -1.205 -25.763 1.00 44.11 H new ATOM 0 HH12 ARG A 798 15.005 -1.228 -27.519 1.00 44.11 H new ATOM 0 HH21 ARG A 798 16.094 2.155 -27.687 1.00 23.00 H new ATOM 0 HH22 ARG A 798 15.740 0.691 -28.610 1.00 23.00 H new ATOM 282 N SER A 799 17.747 0.330 -19.094 1.00 30.14 N ATOM 283 CA SER A 799 17.663 0.129 -17.657 1.00 1.31 C ATOM 284 C SER A 799 17.852 1.463 -16.931 1.00 33.35 C ATOM 285 O SER A 799 18.042 1.490 -15.716 1.00 13.44 O ATOM 286 CB SER A 799 18.704 -0.886 -17.181 1.00 34.31 C ATOM 287 OG SER A 799 20.032 -0.385 -17.299 1.00 2.41 O ATOM 0 H SER A 799 18.691 0.279 -19.477 1.00 30.14 H new ATOM 0 HA SER A 799 16.675 -0.268 -17.424 1.00 1.31 H new ATOM 0 HB2 SER A 799 18.506 -1.147 -16.141 1.00 34.31 H new ATOM 0 HB3 SER A 799 18.609 -1.802 -17.764 1.00 34.31 H new ATOM 0 HG SER A 799 20.474 -0.807 -18.065 1.00 2.41 H new ATOM 293 N GLU A 800 17.793 2.536 -17.706 1.00 34.45 N ATOM 294 CA GLU A 800 17.955 3.869 -17.151 1.00 55.02 C ATOM 295 C GLU A 800 16.819 4.780 -17.621 1.00 12.54 C ATOM 296 O GLU A 800 16.260 4.578 -18.697 1.00 61.34 O ATOM 297 CB GLU A 800 19.318 4.456 -17.523 1.00 73.44 C ATOM 298 CG GLU A 800 19.784 5.467 -16.475 1.00 0.35 C ATOM 299 CD GLU A 800 20.664 4.796 -15.418 1.00 63.25 C ATOM 300 OE1 GLU A 800 20.522 5.081 -14.220 1.00 74.11 O ATOM 301 OE2 GLU A 800 21.521 3.949 -15.881 1.00 12.32 O ATOM 0 H GLU A 800 17.635 2.509 -18.713 1.00 34.45 H new ATOM 0 HA GLU A 800 17.912 3.797 -16.064 1.00 55.02 H new ATOM 0 HB2 GLU A 800 20.051 3.654 -17.611 1.00 73.44 H new ATOM 0 HB3 GLU A 800 19.256 4.940 -18.498 1.00 73.44 H new ATOM 0 HG2 GLU A 800 20.340 6.269 -16.960 1.00 0.35 H new ATOM 0 HG3 GLU A 800 18.918 5.924 -15.996 1.00 0.35 H new ATOM 309 N LEU A 801 16.511 5.765 -16.789 1.00 41.22 N ATOM 310 CA LEU A 801 15.452 6.708 -17.106 1.00 1.44 C ATOM 311 C LEU A 801 16.070 8.004 -17.634 1.00 4.31 C ATOM 312 O LEU A 801 17.067 8.485 -17.097 1.00 11.15 O ATOM 313 CB LEU A 801 14.537 6.912 -15.896 1.00 70.14 C ATOM 314 CG LEU A 801 13.062 7.174 -16.208 1.00 41.11 C ATOM 315 CD1 LEU A 801 12.271 7.445 -14.927 1.00 51.31 C ATOM 316 CD2 LEU A 801 12.910 8.306 -17.226 1.00 73.13 C ATOM 0 H LEU A 801 16.976 5.930 -15.896 1.00 41.22 H new ATOM 0 HA LEU A 801 14.814 6.313 -17.897 1.00 1.44 H new ATOM 0 HB2 LEU A 801 14.602 6.027 -15.263 1.00 70.14 H new ATOM 0 HB3 LEU A 801 14.919 7.750 -15.313 1.00 70.14 H new ATOM 0 HG LEU A 801 12.643 6.275 -16.661 1.00 41.11 H new ATOM 0 HD11 LEU A 801 11.226 7.628 -15.177 1.00 51.31 H new ATOM 0 HD12 LEU A 801 12.340 6.580 -14.267 1.00 51.31 H new ATOM 0 HD13 LEU A 801 12.682 8.320 -14.424 1.00 51.31 H new ATOM 0 HD21 LEU A 801 11.852 8.472 -17.430 1.00 73.13 H new ATOM 0 HD22 LEU A 801 13.349 9.219 -16.824 1.00 73.13 H new ATOM 0 HD23 LEU A 801 13.420 8.035 -18.150 1.00 73.13 H new ATOM 328 N SER A 802 15.453 8.533 -18.680 1.00 44.05 N ATOM 329 CA SER A 802 15.931 9.764 -19.287 1.00 73.04 C ATOM 330 C SER A 802 15.498 10.965 -18.445 1.00 14.24 C ATOM 331 O SER A 802 14.332 11.357 -18.468 1.00 73.41 O ATOM 332 CB SER A 802 15.415 9.907 -20.721 1.00 13.44 C ATOM 333 OG SER A 802 15.151 11.266 -21.059 1.00 51.25 O ATOM 0 H SER A 802 14.626 8.132 -19.123 1.00 44.05 H new ATOM 0 HA SER A 802 17.020 9.728 -19.323 1.00 73.04 H new ATOM 0 HB2 SER A 802 16.150 9.497 -21.414 1.00 13.44 H new ATOM 0 HB3 SER A 802 14.504 9.320 -20.839 1.00 13.44 H new ATOM 0 HG SER A 802 15.138 11.364 -22.034 1.00 51.25 H new ATOM 339 N LEU A 803 16.460 11.517 -17.720 1.00 32.21 N ATOM 340 CA LEU A 803 16.193 12.665 -16.871 1.00 54.51 C ATOM 341 C LEU A 803 16.721 13.930 -17.551 1.00 53.30 C ATOM 342 O LEU A 803 17.693 13.876 -18.303 1.00 34.50 O ATOM 343 CB LEU A 803 16.760 12.439 -15.468 1.00 71.34 C ATOM 344 CG LEU A 803 15.773 11.917 -14.422 1.00 61.31 C ATOM 345 CD1 LEU A 803 14.783 10.931 -15.046 1.00 22.11 C ATOM 346 CD2 LEU A 803 16.511 11.309 -13.227 1.00 50.34 C ATOM 0 H LEU A 803 17.426 11.190 -17.703 1.00 32.21 H new ATOM 0 HA LEU A 803 15.119 12.798 -16.737 1.00 54.51 H new ATOM 0 HB2 LEU A 803 17.588 11.734 -15.541 1.00 71.34 H new ATOM 0 HB3 LEU A 803 17.175 13.381 -15.109 1.00 71.34 H new ATOM 0 HG LEU A 803 15.194 12.761 -14.048 1.00 61.31 H new ATOM 0 HD11 LEU A 803 14.093 10.575 -14.281 1.00 22.11 H new ATOM 0 HD12 LEU A 803 14.223 11.430 -15.837 1.00 22.11 H new ATOM 0 HD13 LEU A 803 15.328 10.085 -15.465 1.00 22.11 H new ATOM 0 HD21 LEU A 803 15.786 10.946 -12.498 1.00 50.34 H new ATOM 0 HD22 LEU A 803 17.132 10.480 -13.566 1.00 50.34 H new ATOM 0 HD23 LEU A 803 17.141 12.068 -12.764 1.00 50.34 H new ATOM 358 N LYS A 804 16.057 15.040 -17.262 1.00 60.01 N ATOM 359 CA LYS A 804 16.447 16.316 -17.836 1.00 44.53 C ATOM 360 C LYS A 804 15.964 17.449 -16.928 1.00 31.42 C ATOM 361 O LYS A 804 14.762 17.617 -16.725 1.00 63.34 O ATOM 362 CB LYS A 804 15.949 16.430 -19.278 1.00 64.05 C ATOM 363 CG LYS A 804 16.631 17.592 -20.004 1.00 51.00 C ATOM 364 CD LYS A 804 17.914 17.129 -20.697 1.00 71.20 C ATOM 365 CE LYS A 804 17.598 16.394 -22.001 1.00 51.24 C ATOM 366 NZ LYS A 804 16.783 17.249 -22.893 1.00 51.02 N ATOM 0 H LYS A 804 15.251 15.082 -16.638 1.00 60.01 H new ATOM 0 HA LYS A 804 17.533 16.392 -17.891 1.00 44.53 H new ATOM 0 HB2 LYS A 804 16.146 15.499 -19.809 1.00 64.05 H new ATOM 0 HB3 LYS A 804 14.869 16.577 -19.283 1.00 64.05 H new ATOM 0 HG2 LYS A 804 15.948 18.016 -20.741 1.00 51.00 H new ATOM 0 HG3 LYS A 804 16.864 18.384 -19.292 1.00 51.00 H new ATOM 0 HD2 LYS A 804 18.550 17.989 -20.905 1.00 71.20 H new ATOM 0 HD3 LYS A 804 18.474 16.472 -20.032 1.00 71.20 H new ATOM 0 HE2 LYS A 804 18.525 16.115 -22.502 1.00 51.24 H new ATOM 0 HE3 LYS A 804 17.062 15.470 -21.784 1.00 51.24 H new ATOM 0 HZ1 LYS A 804 16.950 16.977 -23.883 1.00 51.02 H new ATOM 0 HZ2 LYS A 804 15.776 17.127 -22.666 1.00 51.02 H new ATOM 0 HZ3 LYS A 804 17.050 18.245 -22.758 1.00 51.02 H new ATOM 379 N GLU A 805 16.925 18.196 -16.405 1.00 33.25 N ATOM 380 CA GLU A 805 16.612 19.307 -15.522 1.00 40.23 C ATOM 381 C GLU A 805 15.369 20.047 -16.021 1.00 10.03 C ATOM 382 O GLU A 805 15.248 20.332 -17.211 1.00 53.31 O ATOM 383 CB GLU A 805 17.803 20.259 -15.396 1.00 40.24 C ATOM 384 CG GLU A 805 18.771 19.786 -14.310 1.00 12.10 C ATOM 385 CD GLU A 805 20.199 20.245 -14.611 1.00 22.35 C ATOM 386 OE1 GLU A 805 20.613 20.258 -15.779 1.00 61.14 O ATOM 387 OE2 GLU A 805 20.887 20.597 -13.578 1.00 4.21 O ATOM 0 H GLU A 805 17.921 18.054 -16.576 1.00 33.25 H new ATOM 0 HA GLU A 805 16.400 18.909 -14.530 1.00 40.23 H new ATOM 0 HB2 GLU A 805 18.325 20.322 -16.351 1.00 40.24 H new ATOM 0 HB3 GLU A 805 17.448 21.262 -15.160 1.00 40.24 H new ATOM 0 HG2 GLU A 805 18.456 20.176 -13.342 1.00 12.10 H new ATOM 0 HG3 GLU A 805 18.742 18.699 -14.240 1.00 12.10 H new ATOM 395 N GLY A 806 14.477 20.337 -15.085 1.00 31.40 N ATOM 396 CA GLY A 806 13.248 21.038 -15.414 1.00 75.23 C ATOM 397 C GLY A 806 12.141 20.053 -15.798 1.00 51.54 C ATOM 398 O GLY A 806 11.022 20.461 -16.108 1.00 4.24 O ATOM 0 H GLY A 806 14.581 20.099 -14.099 1.00 31.40 H new ATOM 0 HA2 GLY A 806 12.927 21.637 -14.562 1.00 75.23 H new ATOM 0 HA3 GLY A 806 13.428 21.728 -16.238 1.00 75.23 H new ATOM 402 N ASP A 807 12.492 18.776 -15.766 1.00 53.33 N ATOM 403 CA ASP A 807 11.542 17.731 -16.107 1.00 61.42 C ATOM 404 C ASP A 807 11.047 17.060 -14.825 1.00 34.44 C ATOM 405 O ASP A 807 11.708 17.127 -13.789 1.00 73.34 O ATOM 406 CB ASP A 807 12.195 16.657 -16.980 1.00 52.35 C ATOM 407 CG ASP A 807 12.687 17.145 -18.345 1.00 23.24 C ATOM 408 OD1 ASP A 807 13.085 18.309 -18.501 1.00 70.23 O ATOM 409 OD2 ASP A 807 12.651 16.262 -19.285 1.00 3.05 O ATOM 0 H ASP A 807 13.421 18.441 -15.509 1.00 53.33 H new ATOM 0 HA ASP A 807 10.718 18.190 -16.654 1.00 61.42 H new ATOM 0 HB2 ASP A 807 13.039 16.232 -16.437 1.00 52.35 H new ATOM 0 HB3 ASP A 807 11.478 15.851 -17.136 1.00 52.35 H new ATOM 415 N ILE A 808 9.887 16.428 -14.935 1.00 64.20 N ATOM 416 CA ILE A 808 9.296 15.745 -13.797 1.00 13.11 C ATOM 417 C ILE A 808 9.395 14.233 -14.007 1.00 32.12 C ATOM 418 O ILE A 808 9.221 13.745 -15.122 1.00 71.43 O ATOM 419 CB ILE A 808 7.868 16.241 -13.558 1.00 31.40 C ATOM 420 CG1 ILE A 808 7.210 16.670 -14.871 1.00 34.22 C ATOM 421 CG2 ILE A 808 7.843 17.357 -12.512 1.00 52.12 C ATOM 422 CD1 ILE A 808 7.712 18.046 -15.312 1.00 12.24 C ATOM 0 H ILE A 808 9.341 16.375 -15.795 1.00 64.20 H new ATOM 0 HA ILE A 808 9.847 15.977 -12.885 1.00 13.11 H new ATOM 0 HB ILE A 808 7.281 15.414 -13.159 1.00 31.40 H new ATOM 0 HG12 ILE A 808 7.425 15.935 -15.647 1.00 34.22 H new ATOM 0 HG13 ILE A 808 6.127 16.696 -14.748 1.00 34.22 H new ATOM 0 HG21 ILE A 808 6.817 17.691 -12.361 1.00 52.12 H new ATOM 0 HG22 ILE A 808 8.245 16.982 -11.571 1.00 52.12 H new ATOM 0 HG23 ILE A 808 8.450 18.194 -12.858 1.00 52.12 H new ATOM 0 HD11 ILE A 808 7.229 18.327 -16.248 1.00 12.24 H new ATOM 0 HD12 ILE A 808 7.474 18.783 -14.545 1.00 12.24 H new ATOM 0 HD13 ILE A 808 8.792 18.010 -15.458 1.00 12.24 H new ATOM 434 N ILE A 809 9.674 13.533 -12.917 1.00 1.43 N ATOM 435 CA ILE A 809 9.799 12.087 -12.967 1.00 75.43 C ATOM 436 C ILE A 809 8.641 11.452 -12.194 1.00 53.21 C ATOM 437 O ILE A 809 8.531 11.625 -10.981 1.00 62.22 O ATOM 438 CB ILE A 809 11.180 11.650 -12.474 1.00 54.04 C ATOM 439 CG1 ILE A 809 12.225 11.782 -13.584 1.00 73.32 C ATOM 440 CG2 ILE A 809 11.133 10.234 -11.896 1.00 0.41 C ATOM 441 CD1 ILE A 809 12.733 13.221 -13.691 1.00 75.02 C ATOM 0 H ILE A 809 9.817 13.941 -11.993 1.00 1.43 H new ATOM 0 HA ILE A 809 9.728 11.735 -13.996 1.00 75.43 H new ATOM 0 HB ILE A 809 11.482 12.317 -11.667 1.00 54.04 H new ATOM 0 HG12 ILE A 809 13.061 11.112 -13.383 1.00 73.32 H new ATOM 0 HG13 ILE A 809 11.791 11.474 -14.535 1.00 73.32 H new ATOM 0 HG21 ILE A 809 12.127 9.948 -11.553 1.00 0.41 H new ATOM 0 HG22 ILE A 809 10.438 10.206 -11.057 1.00 0.41 H new ATOM 0 HG23 ILE A 809 10.800 9.538 -12.666 1.00 0.41 H new ATOM 0 HD11 ILE A 809 13.474 13.287 -14.487 1.00 75.02 H new ATOM 0 HD12 ILE A 809 11.899 13.886 -13.916 1.00 75.02 H new ATOM 0 HD13 ILE A 809 13.188 13.517 -12.746 1.00 75.02 H new ATOM 453 N LYS A 810 7.806 10.731 -12.928 1.00 11.11 N ATOM 454 CA LYS A 810 6.660 10.070 -12.326 1.00 43.03 C ATOM 455 C LYS A 810 7.144 8.890 -11.481 1.00 11.23 C ATOM 456 O LYS A 810 7.683 7.921 -12.012 1.00 71.42 O ATOM 457 CB LYS A 810 5.642 9.681 -13.399 1.00 74.15 C ATOM 458 CG LYS A 810 4.610 8.697 -12.845 1.00 33.22 C ATOM 459 CD LYS A 810 4.091 9.157 -11.481 1.00 22.22 C ATOM 460 CE LYS A 810 2.634 8.737 -11.278 1.00 51.33 C ATOM 461 NZ LYS A 810 1.719 9.737 -11.874 1.00 3.01 N ATOM 0 H LYS A 810 7.900 10.590 -13.934 1.00 11.11 H new ATOM 0 HA LYS A 810 6.137 10.750 -11.654 1.00 43.03 H new ATOM 0 HB2 LYS A 810 5.137 10.574 -13.767 1.00 74.15 H new ATOM 0 HB3 LYS A 810 6.157 9.233 -14.249 1.00 74.15 H new ATOM 0 HG2 LYS A 810 3.778 8.606 -13.543 1.00 33.22 H new ATOM 0 HG3 LYS A 810 5.058 7.708 -12.753 1.00 33.22 H new ATOM 0 HD2 LYS A 810 4.709 8.732 -10.690 1.00 22.22 H new ATOM 0 HD3 LYS A 810 4.175 10.241 -11.403 1.00 22.22 H new ATOM 0 HE2 LYS A 810 2.463 7.762 -11.734 1.00 51.33 H new ATOM 0 HE3 LYS A 810 2.424 8.632 -10.214 1.00 51.33 H new ATOM 0 HZ1 LYS A 810 0.734 9.437 -11.728 1.00 3.01 H new ATOM 0 HZ2 LYS A 810 1.871 10.660 -11.420 1.00 3.01 H new ATOM 0 HZ3 LYS A 810 1.909 9.817 -12.893 1.00 3.01 H new ATOM 474 N ILE A 811 6.934 9.011 -10.178 1.00 53.42 N ATOM 475 CA ILE A 811 7.341 7.967 -9.254 1.00 25.01 C ATOM 476 C ILE A 811 6.348 6.806 -9.332 1.00 53.30 C ATOM 477 O ILE A 811 5.139 7.011 -9.225 1.00 64.32 O ATOM 478 CB ILE A 811 7.513 8.536 -7.844 1.00 53.11 C ATOM 479 CG1 ILE A 811 8.300 9.848 -7.874 1.00 72.12 C ATOM 480 CG2 ILE A 811 8.152 7.506 -6.911 1.00 35.33 C ATOM 481 CD1 ILE A 811 9.720 9.624 -8.399 1.00 35.55 C ATOM 0 H ILE A 811 6.487 9.817 -9.741 1.00 53.42 H new ATOM 0 HA ILE A 811 8.317 7.571 -9.534 1.00 25.01 H new ATOM 0 HB ILE A 811 6.524 8.763 -7.445 1.00 53.11 H new ATOM 0 HG12 ILE A 811 7.785 10.571 -8.506 1.00 72.12 H new ATOM 0 HG13 ILE A 811 8.342 10.274 -6.872 1.00 72.12 H new ATOM 0 HG21 ILE A 811 8.263 7.936 -5.916 1.00 35.33 H new ATOM 0 HG22 ILE A 811 7.517 6.622 -6.856 1.00 35.33 H new ATOM 0 HG23 ILE A 811 9.132 7.225 -7.296 1.00 35.33 H new ATOM 0 HD11 ILE A 811 10.258 10.572 -8.410 1.00 35.55 H new ATOM 0 HD12 ILE A 811 10.241 8.919 -7.751 1.00 35.55 H new ATOM 0 HD13 ILE A 811 9.675 9.221 -9.411 1.00 35.55 H new ATOM 493 N LEU A 812 6.893 5.613 -9.518 1.00 5.42 N ATOM 494 CA LEU A 812 6.070 4.420 -9.611 1.00 71.04 C ATOM 495 C LEU A 812 6.448 3.455 -8.486 1.00 12.23 C ATOM 496 O LEU A 812 5.577 2.842 -7.870 1.00 51.13 O ATOM 497 CB LEU A 812 6.174 3.806 -11.009 1.00 31.42 C ATOM 498 CG LEU A 812 6.281 4.796 -12.170 1.00 64.55 C ATOM 499 CD1 LEU A 812 7.091 4.201 -13.324 1.00 44.02 C ATOM 500 CD2 LEU A 812 4.896 5.262 -12.623 1.00 44.12 C ATOM 0 H LEU A 812 7.896 5.447 -9.607 1.00 5.42 H new ATOM 0 HA LEU A 812 5.018 4.671 -9.475 1.00 71.04 H new ATOM 0 HB2 LEU A 812 7.046 3.153 -11.033 1.00 31.42 H new ATOM 0 HB3 LEU A 812 5.299 3.177 -11.174 1.00 31.42 H new ATOM 0 HG LEU A 812 6.818 5.677 -11.819 1.00 64.55 H new ATOM 0 HD11 LEU A 812 7.152 4.925 -14.137 1.00 44.02 H new ATOM 0 HD12 LEU A 812 8.096 3.959 -12.977 1.00 44.02 H new ATOM 0 HD13 LEU A 812 6.603 3.294 -13.682 1.00 44.02 H new ATOM 0 HD21 LEU A 812 5.001 5.965 -13.449 1.00 44.12 H new ATOM 0 HD22 LEU A 812 4.312 4.402 -12.950 1.00 44.12 H new ATOM 0 HD23 LEU A 812 4.387 5.751 -11.793 1.00 44.12 H new ATOM 512 N ASN A 813 7.747 3.351 -8.251 1.00 24.35 N ATOM 513 CA ASN A 813 8.251 2.471 -7.210 1.00 23.13 C ATOM 514 C ASN A 813 9.365 3.184 -6.440 1.00 14.23 C ATOM 515 O ASN A 813 10.078 4.015 -7.000 1.00 53.11 O ATOM 516 CB ASN A 813 8.836 1.189 -7.807 1.00 13.41 C ATOM 517 CG ASN A 813 7.775 0.090 -7.889 1.00 64.52 C ATOM 518 OD1 ASN A 813 6.895 0.102 -8.733 1.00 55.42 O ATOM 519 ND2 ASN A 813 7.909 -0.860 -6.968 1.00 34.32 N ATOM 0 H ASN A 813 8.466 3.861 -8.763 1.00 24.35 H new ATOM 0 HA ASN A 813 7.419 2.216 -6.553 1.00 23.13 H new ATOM 0 HB2 ASN A 813 9.230 1.394 -8.802 1.00 13.41 H new ATOM 0 HB3 ASN A 813 9.672 0.848 -7.197 1.00 13.41 H new ATOM 0 HD21 ASN A 813 7.252 -1.639 -6.940 1.00 34.32 H new ATOM 0 HD22 ASN A 813 8.669 -0.809 -6.290 1.00 34.32 H new ATOM 526 N LYS A 814 9.479 2.834 -5.167 1.00 74.42 N ATOM 527 CA LYS A 814 10.493 3.430 -4.315 1.00 20.14 C ATOM 528 C LYS A 814 11.268 2.321 -3.600 1.00 4.31 C ATOM 529 O LYS A 814 10.879 1.885 -2.518 1.00 2.34 O ATOM 530 CB LYS A 814 9.862 4.450 -3.365 1.00 4.04 C ATOM 531 CG LYS A 814 9.849 5.846 -3.990 1.00 52.31 C ATOM 532 CD LYS A 814 9.952 6.930 -2.915 1.00 30.23 C ATOM 533 CE LYS A 814 9.475 8.281 -3.450 1.00 55.13 C ATOM 534 NZ LYS A 814 10.350 8.741 -4.552 1.00 30.34 N ATOM 0 H LYS A 814 8.885 2.145 -4.705 1.00 74.42 H new ATOM 0 HA LYS A 814 11.213 3.988 -4.913 1.00 20.14 H new ATOM 0 HB2 LYS A 814 8.843 4.146 -3.124 1.00 4.04 H new ATOM 0 HB3 LYS A 814 10.418 4.472 -2.428 1.00 4.04 H new ATOM 0 HG2 LYS A 814 10.679 5.943 -4.690 1.00 52.31 H new ATOM 0 HG3 LYS A 814 8.932 5.983 -4.563 1.00 52.31 H new ATOM 0 HD2 LYS A 814 9.354 6.646 -2.049 1.00 30.23 H new ATOM 0 HD3 LYS A 814 10.984 7.013 -2.576 1.00 30.23 H new ATOM 0 HE2 LYS A 814 8.448 8.196 -3.805 1.00 55.13 H new ATOM 0 HE3 LYS A 814 9.475 9.017 -2.646 1.00 55.13 H new ATOM 0 HZ1 LYS A 814 9.929 9.578 -5.004 1.00 30.34 H new ATOM 0 HZ2 LYS A 814 11.286 8.987 -4.172 1.00 30.34 H new ATOM 0 HZ3 LYS A 814 10.451 7.982 -5.255 1.00 30.34 H new ATOM 547 N LYS A 815 12.351 1.897 -4.234 1.00 45.13 N ATOM 548 CA LYS A 815 13.185 0.848 -3.673 1.00 31.24 C ATOM 549 C LYS A 815 13.355 1.086 -2.171 1.00 2.51 C ATOM 550 O LYS A 815 13.595 2.214 -1.741 1.00 64.33 O ATOM 551 CB LYS A 815 14.509 0.750 -4.434 1.00 34.23 C ATOM 552 CG LYS A 815 14.289 0.212 -5.849 1.00 53.32 C ATOM 553 CD LYS A 815 14.030 -1.295 -5.829 1.00 73.51 C ATOM 554 CE LYS A 815 15.264 -2.057 -5.342 1.00 61.35 C ATOM 555 NZ LYS A 815 16.473 -1.601 -6.065 1.00 33.13 N ATOM 0 H LYS A 815 12.670 2.261 -5.132 1.00 45.13 H new ATOM 0 HA LYS A 815 12.705 -0.123 -3.790 1.00 31.24 H new ATOM 0 HB2 LYS A 815 14.978 1.733 -4.483 1.00 34.23 H new ATOM 0 HB3 LYS A 815 15.195 0.096 -3.895 1.00 34.23 H new ATOM 0 HG2 LYS A 815 13.444 0.724 -6.309 1.00 53.32 H new ATOM 0 HG3 LYS A 815 15.164 0.426 -6.463 1.00 53.32 H new ATOM 0 HD2 LYS A 815 13.183 -1.513 -5.178 1.00 73.51 H new ATOM 0 HD3 LYS A 815 13.760 -1.634 -6.829 1.00 73.51 H new ATOM 0 HE2 LYS A 815 15.394 -1.904 -4.271 1.00 61.35 H new ATOM 0 HE3 LYS A 815 15.123 -3.127 -5.496 1.00 61.35 H new ATOM 0 HZ1 LYS A 815 17.290 -2.174 -5.772 1.00 33.13 H new ATOM 0 HZ2 LYS A 815 16.326 -1.707 -7.089 1.00 33.13 H new ATOM 0 HZ3 LYS A 815 16.654 -0.601 -5.843 1.00 33.13 H new ATOM 568 N GLY A 816 13.224 0.007 -1.414 1.00 11.10 N ATOM 569 CA GLY A 816 13.360 0.085 0.031 1.00 62.04 C ATOM 570 C GLY A 816 14.551 0.963 0.423 1.00 74.45 C ATOM 571 O GLY A 816 14.560 1.557 1.499 1.00 0.42 O ATOM 0 H GLY A 816 13.025 -0.926 -1.774 1.00 11.10 H new ATOM 0 HA2 GLY A 816 12.446 0.491 0.465 1.00 62.04 H new ATOM 0 HA3 GLY A 816 13.491 -0.916 0.442 1.00 62.04 H new ATOM 575 N GLN A 817 15.526 1.016 -0.473 1.00 31.33 N ATOM 576 CA GLN A 817 16.718 1.811 -0.234 1.00 25.31 C ATOM 577 C GLN A 817 16.667 3.104 -1.050 1.00 72.44 C ATOM 578 O GLN A 817 15.833 3.245 -1.944 1.00 64.30 O ATOM 579 CB GLN A 817 17.983 1.011 -0.553 1.00 3.23 C ATOM 580 CG GLN A 817 18.367 0.102 0.617 1.00 53.13 C ATOM 581 CD GLN A 817 19.757 -0.502 0.408 1.00 33.44 C ATOM 582 OE1 GLN A 817 20.311 -0.491 -0.679 1.00 15.44 O ATOM 583 NE2 GLN A 817 20.288 -1.030 1.508 1.00 54.21 N ATOM 0 H GLN A 817 15.515 0.521 -1.365 1.00 31.33 H new ATOM 0 HA GLN A 817 16.750 2.073 0.823 1.00 25.31 H new ATOM 0 HB2 GLN A 817 17.821 0.410 -1.448 1.00 3.23 H new ATOM 0 HB3 GLN A 817 18.804 1.694 -0.772 1.00 3.23 H new ATOM 0 HG2 GLN A 817 18.350 0.672 1.546 1.00 53.13 H new ATOM 0 HG3 GLN A 817 17.631 -0.696 0.719 1.00 53.13 H new ATOM 0 HE21 GLN A 817 19.770 -1.006 2.387 1.00 54.21 H new ATOM 0 HE22 GLN A 817 21.213 -1.459 1.473 1.00 54.21 H new ATOM 592 N GLN A 818 17.568 4.015 -0.714 1.00 61.32 N ATOM 593 CA GLN A 818 17.636 5.291 -1.405 1.00 53.20 C ATOM 594 C GLN A 818 18.391 5.140 -2.727 1.00 2.12 C ATOM 595 O GLN A 818 18.596 6.118 -3.444 1.00 52.03 O ATOM 596 CB GLN A 818 18.284 6.359 -0.522 1.00 22.12 C ATOM 597 CG GLN A 818 17.382 6.714 0.662 1.00 71.32 C ATOM 598 CD GLN A 818 18.060 7.730 1.583 1.00 52.44 C ATOM 599 OE1 GLN A 818 18.590 8.741 1.151 1.00 61.32 O ATOM 600 NE2 GLN A 818 18.013 7.408 2.872 1.00 31.11 N ATOM 0 H GLN A 818 18.257 3.895 0.028 1.00 61.32 H new ATOM 0 HA GLN A 818 16.619 5.617 -1.625 1.00 53.20 H new ATOM 0 HB2 GLN A 818 19.245 5.999 -0.156 1.00 22.12 H new ATOM 0 HB3 GLN A 818 18.483 7.253 -1.113 1.00 22.12 H new ATOM 0 HG2 GLN A 818 16.440 7.122 0.296 1.00 71.32 H new ATOM 0 HG3 GLN A 818 17.142 5.812 1.224 1.00 71.32 H new ATOM 0 HE21 GLN A 818 17.553 6.546 3.166 1.00 31.11 H new ATOM 0 HE22 GLN A 818 18.437 8.023 3.567 1.00 31.11 H new ATOM 609 N GLY A 819 18.785 3.907 -3.009 1.00 21.12 N ATOM 610 CA GLY A 819 19.514 3.615 -4.232 1.00 14.22 C ATOM 611 C GLY A 819 18.981 4.448 -5.399 1.00 54.04 C ATOM 612 O GLY A 819 19.535 5.497 -5.722 1.00 43.42 O ATOM 0 H GLY A 819 18.613 3.098 -2.412 1.00 21.12 H new ATOM 0 HA2 GLY A 819 20.574 3.823 -4.086 1.00 14.22 H new ATOM 0 HA3 GLY A 819 19.426 2.554 -4.468 1.00 14.22 H new ATOM 616 N TRP A 820 17.911 3.949 -6.001 1.00 33.12 N ATOM 617 CA TRP A 820 17.297 4.634 -7.126 1.00 34.24 C ATOM 618 C TRP A 820 15.780 4.474 -7.006 1.00 32.42 C ATOM 619 O TRP A 820 15.295 3.740 -6.146 1.00 25.43 O ATOM 620 CB TRP A 820 17.850 4.112 -8.453 1.00 52.33 C ATOM 621 CG TRP A 820 17.609 2.619 -8.684 1.00 52.23 C ATOM 622 CD1 TRP A 820 16.915 1.767 -7.917 1.00 41.03 C ATOM 623 CD2 TRP A 820 18.092 1.832 -9.793 1.00 22.30 C ATOM 624 NE1 TRP A 820 16.916 0.493 -8.448 1.00 40.12 N ATOM 625 CE2 TRP A 820 17.655 0.534 -9.625 1.00 75.21 C ATOM 626 CE3 TRP A 820 18.873 2.204 -10.901 1.00 64.12 C ATOM 627 CZ2 TRP A 820 17.947 -0.497 -10.527 1.00 3.45 C ATOM 628 CZ3 TRP A 820 19.157 1.162 -11.793 1.00 3.52 C ATOM 629 CH2 TRP A 820 18.724 -0.149 -11.638 1.00 23.20 C ATOM 0 H TRP A 820 17.454 3.078 -5.731 1.00 33.12 H new ATOM 0 HA TRP A 820 17.537 5.697 -7.109 1.00 34.24 H new ATOM 0 HB2 TRP A 820 17.396 4.673 -9.270 1.00 52.33 H new ATOM 0 HB3 TRP A 820 18.922 4.306 -8.490 1.00 52.33 H new ATOM 0 HD1 TRP A 820 16.417 2.043 -6.999 1.00 41.03 H new ATOM 0 HE1 TRP A 820 16.459 -0.327 -8.050 1.00 40.12 H new ATOM 0 HE3 TRP A 820 19.226 3.213 -11.053 1.00 64.12 H new ATOM 0 HZ2 TRP A 820 17.592 -1.505 -10.374 1.00 3.45 H new ATOM 0 HZ3 TRP A 820 19.754 1.394 -12.662 1.00 3.52 H new ATOM 0 HH2 TRP A 820 18.986 -0.897 -12.372 1.00 23.20 H new ATOM 640 N TRP A 821 15.072 5.173 -7.881 1.00 21.31 N ATOM 641 CA TRP A 821 13.620 5.117 -7.884 1.00 41.30 C ATOM 642 C TRP A 821 13.161 4.837 -9.316 1.00 53.13 C ATOM 643 O TRP A 821 13.702 5.399 -10.267 1.00 3.21 O ATOM 644 CB TRP A 821 13.021 6.400 -7.304 1.00 43.33 C ATOM 645 CG TRP A 821 13.066 6.473 -5.777 1.00 32.13 C ATOM 646 CD1 TRP A 821 13.111 5.458 -4.903 1.00 63.54 C ATOM 647 CD2 TRP A 821 13.067 7.671 -4.973 1.00 3.44 C ATOM 648 NE1 TRP A 821 13.142 5.912 -3.601 1.00 31.14 N ATOM 649 CE2 TRP A 821 13.114 7.301 -3.644 1.00 64.02 C ATOM 650 CE3 TRP A 821 13.030 9.024 -5.355 1.00 64.23 C ATOM 651 CZ2 TRP A 821 13.129 8.223 -2.591 1.00 54.41 C ATOM 652 CZ3 TRP A 821 13.045 9.933 -4.291 1.00 1.30 C ATOM 653 CH2 TRP A 821 13.092 9.577 -2.948 1.00 62.54 C ATOM 0 H TRP A 821 15.477 5.781 -8.593 1.00 21.31 H new ATOM 0 HA TRP A 821 13.263 4.313 -7.241 1.00 41.30 H new ATOM 0 HB2 TRP A 821 13.556 7.256 -7.714 1.00 43.33 H new ATOM 0 HB3 TRP A 821 11.985 6.485 -7.631 1.00 43.33 H new ATOM 0 HD1 TRP A 821 13.122 4.415 -5.183 1.00 63.54 H new ATOM 0 HE1 TRP A 821 13.179 5.335 -2.761 1.00 31.14 H new ATOM 0 HE3 TRP A 821 12.993 9.337 -6.388 1.00 64.23 H new ATOM 0 HZ2 TRP A 821 13.167 7.907 -1.559 1.00 54.41 H new ATOM 0 HZ3 TRP A 821 13.018 10.986 -4.530 1.00 1.30 H new ATOM 0 HH2 TRP A 821 13.100 10.340 -2.184 1.00 62.54 H new ATOM 664 N ARG A 822 12.167 3.968 -9.426 1.00 14.15 N ATOM 665 CA ARG A 822 11.628 3.606 -10.726 1.00 1.52 C ATOM 666 C ARG A 822 10.528 4.588 -11.136 1.00 62.53 C ATOM 667 O ARG A 822 9.499 4.686 -10.470 1.00 1.12 O ATOM 668 CB ARG A 822 11.056 2.187 -10.710 1.00 4.41 C ATOM 669 CG ARG A 822 11.236 1.509 -12.069 1.00 62.42 C ATOM 670 CD ARG A 822 10.121 0.493 -12.327 1.00 1.13 C ATOM 671 NE ARG A 822 10.607 -0.574 -13.230 1.00 52.32 N ATOM 672 CZ ARG A 822 9.840 -1.588 -13.685 1.00 3.23 C ATOM 673 NH1 ARG A 822 8.543 -1.682 -13.323 1.00 1.42 N ATOM 674 NH2 ARG A 822 10.378 -2.486 -14.488 1.00 63.50 N ATOM 0 H ARG A 822 11.720 3.504 -8.635 1.00 14.15 H new ATOM 0 HA ARG A 822 12.444 3.648 -11.447 1.00 1.52 H new ATOM 0 HB2 ARG A 822 11.552 1.599 -9.938 1.00 4.41 H new ATOM 0 HB3 ARG A 822 9.997 2.221 -10.454 1.00 4.41 H new ATOM 0 HG2 ARG A 822 11.237 2.262 -12.858 1.00 62.42 H new ATOM 0 HG3 ARG A 822 12.204 1.009 -12.105 1.00 62.42 H new ATOM 0 HD2 ARG A 822 9.788 0.059 -11.384 1.00 1.13 H new ATOM 0 HD3 ARG A 822 9.259 0.991 -12.771 1.00 1.13 H new ATOM 0 HE ARG A 822 11.582 -0.541 -13.527 1.00 52.32 H new ATOM 0 HH11 ARG A 822 8.135 -0.984 -12.701 1.00 1.42 H new ATOM 0 HH12 ARG A 822 7.971 -2.451 -13.671 1.00 1.42 H new ATOM 0 HH21 ARG A 822 11.359 -2.408 -14.756 1.00 63.50 H new ATOM 0 HH22 ARG A 822 9.813 -3.258 -14.841 1.00 63.50 H new ATOM 687 N GLY A 823 10.783 5.288 -12.231 1.00 50.35 N ATOM 688 CA GLY A 823 9.827 6.258 -12.739 1.00 2.13 C ATOM 689 C GLY A 823 9.750 6.205 -14.266 1.00 32.41 C ATOM 690 O GLY A 823 10.252 5.267 -14.884 1.00 2.40 O ATOM 0 H GLY A 823 11.638 5.203 -12.781 1.00 50.35 H new ATOM 0 HA2 GLY A 823 8.843 6.060 -12.315 1.00 2.13 H new ATOM 0 HA3 GLY A 823 10.116 7.260 -12.421 1.00 2.13 H new ATOM 694 N GLU A 824 9.117 7.222 -14.830 1.00 55.34 N ATOM 695 CA GLU A 824 8.967 7.303 -16.273 1.00 51.05 C ATOM 696 C GLU A 824 8.768 8.757 -16.706 1.00 10.10 C ATOM 697 O GLU A 824 8.334 9.591 -15.912 1.00 74.45 O ATOM 698 CB GLU A 824 7.810 6.425 -16.755 1.00 23.23 C ATOM 699 CG GLU A 824 7.314 6.877 -18.130 1.00 20.43 C ATOM 700 CD GLU A 824 6.157 5.998 -18.611 1.00 1.52 C ATOM 701 OE1 GLU A 824 6.359 5.118 -19.460 1.00 31.52 O ATOM 702 OE2 GLU A 824 5.015 6.257 -18.069 1.00 60.43 O ATOM 0 H GLU A 824 8.702 7.998 -14.314 1.00 55.34 H new ATOM 0 HA GLU A 824 9.881 6.929 -16.734 1.00 51.05 H new ATOM 0 HB2 GLU A 824 8.134 5.386 -16.805 1.00 23.23 H new ATOM 0 HB3 GLU A 824 6.991 6.469 -16.037 1.00 23.23 H new ATOM 0 HG2 GLU A 824 6.990 7.916 -18.080 1.00 20.43 H new ATOM 0 HG3 GLU A 824 8.132 6.833 -18.849 1.00 20.43 H new ATOM 710 N ILE A 825 9.095 9.017 -17.963 1.00 44.12 N ATOM 711 CA ILE A 825 8.958 10.356 -18.511 1.00 1.13 C ATOM 712 C ILE A 825 8.602 10.261 -19.996 1.00 12.24 C ATOM 713 O ILE A 825 9.298 9.599 -20.764 1.00 1.14 O ATOM 714 CB ILE A 825 10.216 11.181 -18.232 1.00 24.44 C ATOM 715 CG1 ILE A 825 10.207 11.729 -16.803 1.00 53.44 C ATOM 716 CG2 ILE A 825 10.386 12.290 -19.271 1.00 3.50 C ATOM 717 CD1 ILE A 825 11.189 12.893 -16.656 1.00 63.04 C ATOM 0 H ILE A 825 9.455 8.323 -18.618 1.00 44.12 H new ATOM 0 HA ILE A 825 8.142 10.886 -18.020 1.00 1.13 H new ATOM 0 HB ILE A 825 11.082 10.524 -18.319 1.00 24.44 H new ATOM 0 HG12 ILE A 825 9.202 12.062 -16.544 1.00 53.44 H new ATOM 0 HG13 ILE A 825 10.471 10.936 -16.104 1.00 53.44 H new ATOM 0 HG21 ILE A 825 11.288 12.861 -19.049 1.00 3.50 H new ATOM 0 HG22 ILE A 825 10.471 11.848 -20.264 1.00 3.50 H new ATOM 0 HG23 ILE A 825 9.521 12.952 -19.241 1.00 3.50 H new ATOM 0 HD11 ILE A 825 11.163 13.264 -15.631 1.00 63.04 H new ATOM 0 HD12 ILE A 825 12.197 12.551 -16.893 1.00 63.04 H new ATOM 0 HD13 ILE A 825 10.908 13.695 -17.339 1.00 63.04 H new ATOM 729 N TYR A 826 7.518 10.933 -20.355 1.00 72.33 N ATOM 730 CA TYR A 826 7.061 10.932 -21.735 1.00 13.44 C ATOM 731 C TYR A 826 6.740 9.512 -22.205 1.00 55.55 C ATOM 732 O TYR A 826 6.728 9.240 -23.405 1.00 14.30 O ATOM 733 CB TYR A 826 8.223 11.481 -22.564 1.00 40.42 C ATOM 734 CG TYR A 826 8.836 12.766 -22.003 1.00 24.55 C ATOM 735 CD1 TYR A 826 8.141 13.514 -21.075 1.00 0.03 C ATOM 736 CD2 TYR A 826 10.085 13.176 -22.424 1.00 22.53 C ATOM 737 CE1 TYR A 826 8.718 14.723 -20.546 1.00 63.31 C ATOM 738 CE2 TYR A 826 10.662 14.384 -21.895 1.00 45.21 C ATOM 739 CZ TYR A 826 9.951 15.098 -20.982 1.00 54.14 C ATOM 740 OH TYR A 826 10.496 16.240 -20.483 1.00 72.42 O ATOM 0 H TYR A 826 6.943 11.481 -19.715 1.00 72.33 H new ATOM 0 HA TYR A 826 6.155 11.528 -21.840 1.00 13.44 H new ATOM 0 HB2 TYR A 826 9.000 10.719 -22.631 1.00 40.42 H new ATOM 0 HB3 TYR A 826 7.874 11.670 -23.579 1.00 40.42 H new ATOM 0 HD1 TYR A 826 7.164 13.193 -20.745 1.00 0.03 H new ATOM 0 HD2 TYR A 826 10.629 12.591 -23.150 1.00 22.53 H new ATOM 0 HE1 TYR A 826 8.184 15.318 -19.820 1.00 63.31 H new ATOM 0 HE2 TYR A 826 11.638 14.716 -22.216 1.00 45.21 H new ATOM 0 HH TYR A 826 11.356 16.034 -20.060 1.00 72.42 H new ATOM 750 N GLY A 827 6.487 8.645 -21.237 1.00 21.15 N ATOM 751 CA GLY A 827 6.167 7.260 -21.537 1.00 33.21 C ATOM 752 C GLY A 827 7.432 6.400 -21.574 1.00 33.12 C ATOM 753 O GLY A 827 7.383 5.234 -21.963 1.00 1.11 O ATOM 0 H GLY A 827 6.497 8.875 -20.243 1.00 21.15 H new ATOM 0 HA2 GLY A 827 5.480 6.871 -20.785 1.00 33.21 H new ATOM 0 HA3 GLY A 827 5.655 7.201 -22.497 1.00 33.21 H new ATOM 757 N ARG A 828 8.535 7.009 -21.163 1.00 73.44 N ATOM 758 CA ARG A 828 9.810 6.313 -21.145 1.00 4.34 C ATOM 759 C ARG A 828 10.126 5.822 -19.730 1.00 44.14 C ATOM 760 O ARG A 828 10.319 6.625 -18.819 1.00 43.31 O ATOM 761 CB ARG A 828 10.941 7.225 -21.625 1.00 65.30 C ATOM 762 CG ARG A 828 10.743 7.619 -23.090 1.00 64.52 C ATOM 763 CD ARG A 828 11.987 8.317 -23.643 1.00 42.31 C ATOM 764 NE ARG A 828 11.945 9.760 -23.315 1.00 24.35 N ATOM 765 CZ ARG A 828 12.972 10.612 -23.518 1.00 50.53 C ATOM 766 NH1 ARG A 828 14.132 10.174 -24.052 1.00 75.45 N ATOM 767 NH2 ARG A 828 12.825 11.882 -23.187 1.00 70.23 N ATOM 0 H ARG A 828 8.572 7.976 -20.840 1.00 73.44 H new ATOM 0 HA ARG A 828 9.733 5.461 -21.821 1.00 4.34 H new ATOM 0 HB2 ARG A 828 10.978 8.121 -21.006 1.00 65.30 H new ATOM 0 HB3 ARG A 828 11.898 6.716 -21.508 1.00 65.30 H new ATOM 0 HG2 ARG A 828 10.526 6.731 -23.683 1.00 64.52 H new ATOM 0 HG3 ARG A 828 9.881 8.280 -23.179 1.00 64.52 H new ATOM 0 HD2 ARG A 828 12.885 7.866 -23.221 1.00 42.31 H new ATOM 0 HD3 ARG A 828 12.040 8.182 -24.723 1.00 42.31 H new ATOM 0 HE ARG A 828 11.086 10.134 -22.910 1.00 24.35 H new ATOM 0 HH11 ARG A 828 14.238 9.192 -24.306 1.00 75.45 H new ATOM 0 HH12 ARG A 828 14.903 10.825 -24.202 1.00 75.45 H new ATOM 0 HH21 ARG A 828 11.945 12.206 -22.785 1.00 70.23 H new ATOM 0 HH22 ARG A 828 13.591 12.539 -23.334 1.00 70.23 H new ATOM 780 N ILE A 829 10.170 4.505 -19.592 1.00 15.23 N ATOM 781 CA ILE A 829 10.459 3.897 -18.304 1.00 12.40 C ATOM 782 C ILE A 829 11.974 3.760 -18.139 1.00 34.43 C ATOM 783 O ILE A 829 12.707 3.709 -19.125 1.00 21.23 O ATOM 784 CB ILE A 829 9.701 2.577 -18.152 1.00 70.14 C ATOM 785 CG1 ILE A 829 8.202 2.776 -18.384 1.00 34.54 C ATOM 786 CG2 ILE A 829 9.991 1.931 -16.796 1.00 62.33 C ATOM 787 CD1 ILE A 829 7.482 3.093 -17.071 1.00 51.24 C ATOM 0 H ILE A 829 10.010 3.842 -20.351 1.00 15.23 H new ATOM 0 HA ILE A 829 10.106 4.535 -17.493 1.00 12.40 H new ATOM 0 HB ILE A 829 10.057 1.889 -18.919 1.00 70.14 H new ATOM 0 HG12 ILE A 829 8.045 3.588 -19.094 1.00 34.54 H new ATOM 0 HG13 ILE A 829 7.776 1.876 -18.828 1.00 34.54 H new ATOM 0 HG21 ILE A 829 9.440 0.994 -16.714 1.00 62.33 H new ATOM 0 HG22 ILE A 829 11.059 1.732 -16.709 1.00 62.33 H new ATOM 0 HG23 ILE A 829 9.681 2.606 -15.998 1.00 62.33 H new ATOM 0 HD11 ILE A 829 6.418 3.230 -17.263 1.00 51.24 H new ATOM 0 HD12 ILE A 829 7.621 2.269 -16.372 1.00 51.24 H new ATOM 0 HD13 ILE A 829 7.894 4.006 -16.642 1.00 51.24 H new ATOM 799 N GLY A 830 12.397 3.703 -16.885 1.00 21.14 N ATOM 800 CA GLY A 830 13.811 3.572 -16.577 1.00 43.04 C ATOM 801 C GLY A 830 14.060 3.698 -15.073 1.00 34.31 C ATOM 802 O GLY A 830 13.125 3.619 -14.277 1.00 52.42 O ATOM 0 H GLY A 830 11.785 3.745 -16.070 1.00 21.14 H new ATOM 0 HA2 GLY A 830 14.175 2.607 -16.930 1.00 43.04 H new ATOM 0 HA3 GLY A 830 14.375 4.339 -17.108 1.00 43.04 H new ATOM 806 N TRP A 831 15.324 3.891 -14.728 1.00 62.53 N ATOM 807 CA TRP A 831 15.707 4.028 -13.333 1.00 63.23 C ATOM 808 C TRP A 831 16.545 5.300 -13.196 1.00 44.52 C ATOM 809 O TRP A 831 17.211 5.715 -14.144 1.00 71.10 O ATOM 810 CB TRP A 831 16.435 2.776 -12.839 1.00 44.40 C ATOM 811 CG TRP A 831 15.588 1.504 -12.886 1.00 74.44 C ATOM 812 CD1 TRP A 831 15.229 0.790 -13.963 1.00 4.51 C ATOM 813 CD2 TRP A 831 15.003 0.818 -11.759 1.00 74.34 C ATOM 814 NE1 TRP A 831 14.459 -0.300 -13.614 1.00 25.43 N ATOM 815 CE2 TRP A 831 14.317 -0.283 -12.231 1.00 64.31 C ATOM 816 CE3 TRP A 831 15.051 1.118 -10.387 1.00 21.44 C ATOM 817 CZ2 TRP A 831 13.629 -1.173 -11.398 1.00 14.44 C ATOM 818 CZ3 TRP A 831 14.358 0.219 -9.567 1.00 13.12 C ATOM 819 CH2 TRP A 831 13.663 -0.894 -10.026 1.00 50.31 C ATOM 0 H TRP A 831 16.097 3.956 -15.391 1.00 62.53 H new ATOM 0 HA TRP A 831 14.826 4.122 -12.698 1.00 63.23 H new ATOM 0 HB2 TRP A 831 17.330 2.627 -13.443 1.00 44.40 H new ATOM 0 HB3 TRP A 831 16.766 2.942 -11.814 1.00 44.40 H new ATOM 0 HD1 TRP A 831 15.508 1.037 -14.977 1.00 4.51 H new ATOM 0 HE1 TRP A 831 14.066 -0.991 -14.253 1.00 25.43 H new ATOM 0 HE3 TRP A 831 15.580 1.974 -9.996 1.00 21.44 H new ATOM 0 HZ2 TRP A 831 13.101 -2.029 -11.792 1.00 14.44 H new ATOM 0 HZ3 TRP A 831 14.364 0.403 -8.503 1.00 13.12 H new ATOM 0 HH2 TRP A 831 13.152 -1.540 -9.328 1.00 50.31 H new ATOM 830 N PHE A 832 16.486 5.885 -12.009 1.00 15.12 N ATOM 831 CA PHE A 832 17.231 7.102 -11.735 1.00 53.13 C ATOM 832 C PHE A 832 17.483 7.265 -10.235 1.00 53.40 C ATOM 833 O PHE A 832 16.718 6.761 -9.415 1.00 33.51 O ATOM 834 CB PHE A 832 16.374 8.271 -12.227 1.00 24.23 C ATOM 835 CG PHE A 832 15.053 8.434 -11.473 1.00 72.01 C ATOM 836 CD1 PHE A 832 14.005 7.612 -11.751 1.00 44.23 C ATOM 837 CD2 PHE A 832 14.926 9.401 -10.525 1.00 34.40 C ATOM 838 CE1 PHE A 832 12.779 7.764 -11.052 1.00 30.31 C ATOM 839 CE2 PHE A 832 13.699 9.552 -9.826 1.00 0.14 C ATOM 840 CZ PHE A 832 12.652 8.730 -10.104 1.00 14.41 C ATOM 0 H PHE A 832 15.933 5.538 -11.225 1.00 15.12 H new ATOM 0 HA PHE A 832 18.198 7.067 -12.236 1.00 53.13 H new ATOM 0 HB2 PHE A 832 16.949 9.193 -12.136 1.00 24.23 H new ATOM 0 HB3 PHE A 832 16.161 8.131 -13.287 1.00 24.23 H new ATOM 0 HD1 PHE A 832 14.106 6.844 -12.503 1.00 44.23 H new ATOM 0 HD2 PHE A 832 15.758 10.054 -10.304 1.00 34.40 H new ATOM 0 HE1 PHE A 832 11.947 7.112 -11.273 1.00 30.31 H new ATOM 0 HE2 PHE A 832 13.597 10.320 -9.073 1.00 0.14 H new ATOM 0 HZ PHE A 832 11.719 8.845 -9.572 1.00 14.41 H new ATOM 850 N PRO A 833 18.587 7.992 -9.913 1.00 72.53 N ATOM 851 CA PRO A 833 18.949 8.228 -8.526 1.00 62.33 C ATOM 852 C PRO A 833 18.033 9.275 -7.891 1.00 13.13 C ATOM 853 O PRO A 833 17.561 10.186 -8.569 1.00 43.32 O ATOM 854 CB PRO A 833 20.406 8.660 -8.568 1.00 52.03 C ATOM 855 CG PRO A 833 20.669 9.098 -10.000 1.00 24.30 C ATOM 856 CD PRO A 833 19.516 8.605 -10.858 1.00 71.40 C ATOM 0 HA PRO A 833 18.828 7.342 -7.903 1.00 62.33 H new ATOM 0 HB2 PRO A 833 20.592 9.476 -7.870 1.00 52.03 H new ATOM 0 HB3 PRO A 833 21.065 7.840 -8.283 1.00 52.03 H new ATOM 0 HG2 PRO A 833 20.751 10.183 -10.058 1.00 24.30 H new ATOM 0 HG3 PRO A 833 21.613 8.687 -10.357 1.00 24.30 H new ATOM 0 HD2 PRO A 833 19.046 9.426 -11.399 1.00 71.40 H new ATOM 0 HD3 PRO A 833 19.856 7.885 -11.603 1.00 71.40 H new ATOM 864 N SER A 834 17.808 9.110 -6.595 1.00 52.25 N ATOM 865 CA SER A 834 16.956 10.030 -5.861 1.00 2.23 C ATOM 866 C SER A 834 17.788 11.195 -5.321 1.00 0.32 C ATOM 867 O SER A 834 17.271 12.053 -4.606 1.00 43.15 O ATOM 868 CB SER A 834 16.235 9.317 -4.715 1.00 51.42 C ATOM 869 OG SER A 834 17.102 9.065 -3.613 1.00 1.52 O ATOM 0 H SER A 834 18.201 8.353 -6.035 1.00 52.25 H new ATOM 0 HA SER A 834 16.201 10.417 -6.545 1.00 2.23 H new ATOM 0 HB2 SER A 834 15.393 9.925 -4.382 1.00 51.42 H new ATOM 0 HB3 SER A 834 15.824 8.374 -5.076 1.00 51.42 H new ATOM 0 HG SER A 834 17.472 8.161 -3.688 1.00 1.52 H new ATOM 875 N ASN A 835 19.062 11.189 -5.683 1.00 24.50 N ATOM 876 CA ASN A 835 19.971 12.234 -5.244 1.00 11.21 C ATOM 877 C ASN A 835 20.101 13.287 -6.347 1.00 31.15 C ATOM 878 O ASN A 835 20.638 14.369 -6.116 1.00 40.21 O ATOM 879 CB ASN A 835 21.365 11.670 -4.962 1.00 52.10 C ATOM 880 CG ASN A 835 21.488 11.215 -3.506 1.00 42.34 C ATOM 881 OD1 ASN A 835 20.955 11.822 -2.592 1.00 70.00 O ATOM 882 ND2 ASN A 835 22.219 10.116 -3.343 1.00 44.42 N ATOM 0 H ASN A 835 19.487 10.476 -6.276 1.00 24.50 H new ATOM 0 HA ASN A 835 19.567 12.670 -4.330 1.00 11.21 H new ATOM 0 HB2 ASN A 835 21.563 10.830 -5.627 1.00 52.10 H new ATOM 0 HB3 ASN A 835 22.118 12.429 -5.175 1.00 52.10 H new ATOM 0 HD21 ASN A 835 22.361 9.732 -2.409 1.00 44.42 H new ATOM 0 HD22 ASN A 835 22.637 9.657 -4.152 1.00 44.42 H new ATOM 889 N TYR A 836 19.600 12.933 -7.521 1.00 21.42 N ATOM 890 CA TYR A 836 19.654 13.833 -8.660 1.00 15.32 C ATOM 891 C TYR A 836 18.260 14.359 -9.009 1.00 73.10 C ATOM 892 O TYR A 836 18.111 15.183 -9.910 1.00 11.11 O ATOM 893 CB TYR A 836 20.180 13.001 -9.831 1.00 1.41 C ATOM 894 CG TYR A 836 21.700 12.827 -9.836 1.00 70.24 C ATOM 895 CD1 TYR A 836 22.355 12.448 -8.682 1.00 63.14 C ATOM 896 CD2 TYR A 836 22.416 13.048 -10.995 1.00 51.24 C ATOM 897 CE1 TYR A 836 23.786 12.284 -8.688 1.00 32.54 C ATOM 898 CE2 TYR A 836 23.846 12.884 -11.001 1.00 25.14 C ATOM 899 CZ TYR A 836 24.461 12.510 -9.846 1.00 72.34 C ATOM 900 OH TYR A 836 25.812 12.355 -9.851 1.00 71.53 O ATOM 0 H TYR A 836 19.155 12.035 -7.708 1.00 21.42 H new ATOM 0 HA TYR A 836 20.288 14.692 -8.440 1.00 15.32 H new ATOM 0 HB2 TYR A 836 19.712 12.017 -9.804 1.00 1.41 H new ATOM 0 HB3 TYR A 836 19.875 13.473 -10.765 1.00 1.41 H new ATOM 0 HD1 TYR A 836 21.795 12.274 -7.775 1.00 63.14 H new ATOM 0 HD2 TYR A 836 21.903 13.344 -11.898 1.00 51.24 H new ATOM 0 HE1 TYR A 836 24.311 11.988 -7.792 1.00 32.54 H new ATOM 0 HE2 TYR A 836 24.418 13.054 -11.901 1.00 25.14 H new ATOM 0 HH TYR A 836 26.160 12.549 -10.746 1.00 71.53 H new ATOM 910 N VAL A 837 17.274 13.860 -8.278 1.00 12.54 N ATOM 911 CA VAL A 837 15.897 14.270 -8.499 1.00 22.52 C ATOM 912 C VAL A 837 15.331 14.860 -7.206 1.00 2.12 C ATOM 913 O VAL A 837 15.966 14.784 -6.155 1.00 15.13 O ATOM 914 CB VAL A 837 15.079 13.089 -9.025 1.00 74.13 C ATOM 915 CG1 VAL A 837 15.724 12.489 -10.276 1.00 72.11 C ATOM 916 CG2 VAL A 837 14.890 12.026 -7.941 1.00 63.45 C ATOM 0 H VAL A 837 17.401 13.176 -7.532 1.00 12.54 H new ATOM 0 HA VAL A 837 15.847 15.049 -9.260 1.00 22.52 H new ATOM 0 HB VAL A 837 14.093 13.462 -9.303 1.00 74.13 H new ATOM 0 HG11 VAL A 837 15.123 11.651 -10.629 1.00 72.11 H new ATOM 0 HG12 VAL A 837 15.782 13.249 -11.056 1.00 72.11 H new ATOM 0 HG13 VAL A 837 16.728 12.139 -10.036 1.00 72.11 H new ATOM 0 HG21 VAL A 837 14.305 11.198 -8.341 1.00 63.45 H new ATOM 0 HG22 VAL A 837 15.864 11.659 -7.617 1.00 63.45 H new ATOM 0 HG23 VAL A 837 14.366 12.462 -7.091 1.00 63.45 H new ATOM 926 N GLU A 838 14.144 15.435 -7.326 1.00 13.22 N ATOM 927 CA GLU A 838 13.485 16.038 -6.180 1.00 0.44 C ATOM 928 C GLU A 838 12.208 15.270 -5.836 1.00 75.32 C ATOM 929 O GLU A 838 11.860 14.303 -6.513 1.00 32.04 O ATOM 930 CB GLU A 838 13.183 17.516 -6.436 1.00 5.34 C ATOM 931 CG GLU A 838 14.338 18.402 -5.962 1.00 32.44 C ATOM 932 CD GLU A 838 13.826 19.764 -5.488 1.00 72.45 C ATOM 933 OE1 GLU A 838 12.841 20.280 -6.036 1.00 75.15 O ATOM 934 OE2 GLU A 838 14.489 20.287 -4.514 1.00 3.01 O ATOM 0 H GLU A 838 13.621 15.496 -8.200 1.00 13.22 H new ATOM 0 HA GLU A 838 14.161 15.981 -5.327 1.00 0.44 H new ATOM 0 HB2 GLU A 838 13.010 17.676 -7.500 1.00 5.34 H new ATOM 0 HB3 GLU A 838 12.267 17.799 -5.918 1.00 5.34 H new ATOM 0 HG2 GLU A 838 14.871 17.907 -5.150 1.00 32.44 H new ATOM 0 HG3 GLU A 838 15.052 18.540 -6.774 1.00 32.44 H new ATOM 942 N GLU A 839 11.543 15.728 -4.785 1.00 44.25 N ATOM 943 CA GLU A 839 10.312 15.096 -4.344 1.00 71.31 C ATOM 944 C GLU A 839 9.484 16.072 -3.507 1.00 0.53 C ATOM 945 O GLU A 839 10.032 16.826 -2.703 1.00 72.32 O ATOM 946 CB GLU A 839 10.604 13.814 -3.562 1.00 32.41 C ATOM 947 CG GLU A 839 10.649 12.601 -4.494 1.00 22.03 C ATOM 948 CD GLU A 839 10.173 11.338 -3.773 1.00 63.23 C ATOM 949 OE1 GLU A 839 10.873 10.830 -2.884 1.00 40.51 O ATOM 950 OE2 GLU A 839 9.032 10.884 -4.166 1.00 34.50 O ATOM 0 H GLU A 839 11.834 16.530 -4.226 1.00 44.25 H new ATOM 0 HA GLU A 839 9.732 14.821 -5.225 1.00 71.31 H new ATOM 0 HB2 GLU A 839 11.556 13.911 -3.040 1.00 32.41 H new ATOM 0 HB3 GLU A 839 9.837 13.665 -2.802 1.00 32.41 H new ATOM 0 HG2 GLU A 839 10.022 12.785 -5.366 1.00 22.03 H new ATOM 0 HG3 GLU A 839 11.666 12.455 -4.858 1.00 22.03 H new ATOM 958 N ASP A 840 8.178 16.028 -3.723 1.00 53.13 N ATOM 959 CA ASP A 840 7.269 16.900 -2.998 1.00 71.14 C ATOM 960 C ASP A 840 7.893 18.292 -2.877 1.00 35.44 C ATOM 961 O ASP A 840 7.635 19.009 -1.911 1.00 54.03 O ATOM 962 CB ASP A 840 7.009 16.373 -1.586 1.00 24.22 C ATOM 963 CG ASP A 840 6.115 17.261 -0.718 1.00 44.12 C ATOM 964 OD1 ASP A 840 5.282 18.023 -1.231 1.00 4.33 O ATOM 965 OD2 ASP A 840 6.303 17.147 0.553 1.00 12.00 O ATOM 0 H ASP A 840 7.727 15.402 -4.390 1.00 53.13 H new ATOM 0 HA ASP A 840 6.328 16.938 -3.547 1.00 71.14 H new ATOM 0 HB2 ASP A 840 6.552 15.386 -1.661 1.00 24.22 H new ATOM 0 HB3 ASP A 840 7.966 16.243 -1.081 1.00 24.22 H new ATOM 971 N TYR A 841 8.701 18.632 -3.869 1.00 63.44 N ATOM 972 CA TYR A 841 9.364 19.925 -3.886 1.00 32.33 C ATOM 973 C TYR A 841 8.343 21.063 -3.955 1.00 25.22 C ATOM 974 O TYR A 841 8.509 22.090 -3.299 1.00 52.20 O ATOM 975 CB TYR A 841 10.219 19.945 -5.154 1.00 71.42 C ATOM 976 CG TYR A 841 9.476 19.490 -6.412 1.00 42.53 C ATOM 977 CD1 TYR A 841 8.699 20.387 -7.116 1.00 55.42 C ATOM 978 CD2 TYR A 841 9.584 18.184 -6.844 1.00 32.35 C ATOM 979 CE1 TYR A 841 7.999 19.960 -8.300 1.00 65.03 C ATOM 980 CE2 TYR A 841 8.885 17.756 -8.028 1.00 12.33 C ATOM 981 CZ TYR A 841 8.127 18.666 -8.698 1.00 21.54 C ATOM 982 OH TYR A 841 7.467 18.262 -9.816 1.00 71.10 O ATOM 0 H TYR A 841 8.912 18.034 -4.668 1.00 63.44 H new ATOM 0 HA TYR A 841 9.956 20.065 -2.981 1.00 32.33 H new ATOM 0 HB2 TYR A 841 10.594 20.956 -5.311 1.00 71.42 H new ATOM 0 HB3 TYR A 841 11.087 19.303 -5.005 1.00 71.42 H new ATOM 0 HD1 TYR A 841 8.616 21.410 -6.779 1.00 55.42 H new ATOM 0 HD2 TYR A 841 10.193 17.482 -6.294 1.00 32.35 H new ATOM 0 HE1 TYR A 841 7.386 20.652 -8.859 1.00 65.03 H new ATOM 0 HE2 TYR A 841 8.961 16.736 -8.376 1.00 12.33 H new ATOM 0 HH TYR A 841 7.376 19.018 -10.433 1.00 71.10 H new ATOM 992 N SER A 842 7.311 20.841 -4.755 1.00 41.32 N ATOM 993 CA SER A 842 6.264 21.835 -4.919 1.00 0.55 C ATOM 994 C SER A 842 4.917 21.145 -5.142 1.00 21.11 C ATOM 995 O SER A 842 4.863 19.934 -5.349 1.00 62.32 O ATOM 996 CB SER A 842 6.577 22.778 -6.082 1.00 54.32 C ATOM 997 OG SER A 842 6.520 22.111 -7.340 1.00 62.20 O ATOM 0 H SER A 842 7.177 19.987 -5.297 1.00 41.32 H new ATOM 0 HA SER A 842 6.213 22.431 -4.008 1.00 0.55 H new ATOM 0 HB2 SER A 842 5.868 23.606 -6.078 1.00 54.32 H new ATOM 0 HB3 SER A 842 7.569 23.207 -5.944 1.00 54.32 H new ATOM 0 HG SER A 842 6.920 21.220 -7.256 1.00 62.20 H new ATOM 1003 N GLU A 843 3.863 21.945 -5.092 1.00 55.40 N ATOM 1004 CA GLU A 843 2.519 21.427 -5.286 1.00 63.54 C ATOM 1005 C GLU A 843 1.766 22.274 -6.314 1.00 64.21 C ATOM 1006 O GLU A 843 2.342 23.175 -6.922 1.00 11.22 O ATOM 1007 CB GLU A 843 1.757 21.367 -3.961 1.00 3.20 C ATOM 1008 CG GLU A 843 2.165 22.521 -3.042 1.00 73.12 C ATOM 1009 CD GLU A 843 1.478 22.406 -1.680 1.00 34.20 C ATOM 1010 OE1 GLU A 843 0.962 21.332 -1.334 1.00 42.24 O ATOM 1011 OE2 GLU A 843 1.492 23.482 -0.969 1.00 51.34 O ATOM 0 H GLU A 843 3.912 22.949 -4.920 1.00 55.40 H new ATOM 0 HA GLU A 843 2.596 20.409 -5.669 1.00 63.54 H new ATOM 0 HB2 GLU A 843 0.685 21.411 -4.152 1.00 3.20 H new ATOM 0 HB3 GLU A 843 1.954 20.416 -3.466 1.00 3.20 H new ATOM 0 HG2 GLU A 843 3.247 22.520 -2.909 1.00 73.12 H new ATOM 0 HG3 GLU A 843 1.902 23.471 -3.507 1.00 73.12 H new ATOM 1019 N TYR A 844 0.491 21.954 -6.477 1.00 11.42 N ATOM 1020 CA TYR A 844 -0.347 22.675 -7.420 1.00 44.05 C ATOM 1021 C TYR A 844 -1.257 23.670 -6.697 1.00 44.03 C ATOM 1022 O TYR A 844 -2.463 23.702 -6.937 1.00 65.45 O ATOM 1023 CB TYR A 844 -1.212 21.618 -8.109 1.00 31.21 C ATOM 1024 CG TYR A 844 -2.094 22.170 -9.231 1.00 23.21 C ATOM 1025 CD1 TYR A 844 -1.948 23.479 -9.642 1.00 51.03 C ATOM 1026 CD2 TYR A 844 -3.035 21.358 -9.832 1.00 2.33 C ATOM 1027 CE1 TYR A 844 -2.778 23.998 -10.698 1.00 40.52 C ATOM 1028 CE2 TYR A 844 -3.865 21.878 -10.888 1.00 24.24 C ATOM 1029 CZ TYR A 844 -3.695 23.172 -11.269 1.00 13.22 C ATOM 1030 OH TYR A 844 -4.479 23.663 -12.266 1.00 70.21 O ATOM 0 H TYR A 844 0.018 21.205 -5.972 1.00 11.42 H new ATOM 0 HA TYR A 844 0.265 23.238 -8.124 1.00 44.05 H new ATOM 0 HB2 TYR A 844 -0.564 20.843 -8.518 1.00 31.21 H new ATOM 0 HB3 TYR A 844 -1.847 21.141 -7.363 1.00 31.21 H new ATOM 0 HD1 TYR A 844 -1.212 24.114 -9.172 1.00 51.03 H new ATOM 0 HD2 TYR A 844 -3.149 20.333 -9.510 1.00 2.33 H new ATOM 0 HE1 TYR A 844 -2.675 25.021 -11.029 1.00 40.52 H new ATOM 0 HE2 TYR A 844 -4.606 21.254 -11.366 1.00 24.24 H new ATOM 0 HH TYR A 844 -5.087 22.961 -12.580 1.00 70.21 H new ATOM 1040 N LEU A 845 -0.644 24.458 -5.826 1.00 41.33 N ATOM 1041 CA LEU A 845 -1.384 25.452 -5.067 1.00 22.34 C ATOM 1042 C LEU A 845 -2.247 26.279 -6.022 1.00 22.15 C ATOM 1043 O LEU A 845 -1.970 26.342 -7.218 1.00 65.52 O ATOM 1044 CB LEU A 845 -0.431 26.292 -4.214 1.00 15.33 C ATOM 1045 CG LEU A 845 -0.135 25.755 -2.812 1.00 50.11 C ATOM 1046 CD1 LEU A 845 1.238 26.222 -2.325 1.00 11.41 C ATOM 1047 CD2 LEU A 845 -1.249 26.132 -1.834 1.00 32.15 C ATOM 0 H LEU A 845 0.356 24.428 -5.629 1.00 41.33 H new ATOM 0 HA LEU A 845 -2.062 24.968 -4.364 1.00 22.34 H new ATOM 0 HB2 LEU A 845 0.513 26.391 -4.750 1.00 15.33 H new ATOM 0 HB3 LEU A 845 -0.849 27.294 -4.117 1.00 15.33 H new ATOM 0 HG LEU A 845 -0.106 24.667 -2.862 1.00 50.11 H new ATOM 0 HD11 LEU A 845 1.424 25.827 -1.326 1.00 11.41 H new ATOM 0 HD12 LEU A 845 2.008 25.861 -3.007 1.00 11.41 H new ATOM 0 HD13 LEU A 845 1.262 27.311 -2.294 1.00 11.41 H new ATOM 0 HD21 LEU A 845 -1.014 25.738 -0.845 1.00 32.15 H new ATOM 0 HD22 LEU A 845 -1.335 27.217 -1.781 1.00 32.15 H new ATOM 0 HD23 LEU A 845 -2.193 25.709 -2.178 1.00 32.15 H new ATOM 1059 N PRO A 846 -3.303 26.909 -5.442 1.00 10.54 N ATOM 1060 CA PRO A 846 -4.208 27.730 -6.228 1.00 14.13 C ATOM 1061 C PRO A 846 -3.562 29.069 -6.588 1.00 0.55 C ATOM 1062 O PRO A 846 -2.351 29.235 -6.449 1.00 51.42 O ATOM 1063 CB PRO A 846 -5.450 27.883 -5.365 1.00 75.31 C ATOM 1064 CG PRO A 846 -5.019 27.538 -3.949 1.00 34.41 C ATOM 1065 CD PRO A 846 -3.662 26.858 -4.027 1.00 51.04 C ATOM 0 HA PRO A 846 -4.459 27.278 -7.188 1.00 14.13 H new ATOM 0 HB2 PRO A 846 -5.839 28.900 -5.418 1.00 75.31 H new ATOM 0 HB3 PRO A 846 -6.245 27.219 -5.704 1.00 75.31 H new ATOM 0 HG2 PRO A 846 -4.960 28.439 -3.338 1.00 34.41 H new ATOM 0 HG3 PRO A 846 -5.749 26.880 -3.477 1.00 34.41 H new ATOM 0 HD2 PRO A 846 -2.924 27.374 -3.412 1.00 51.04 H new ATOM 0 HD3 PRO A 846 -3.713 25.830 -3.668 1.00 51.04 H new ATOM 1073 N GLU A 847 -4.399 29.991 -7.042 1.00 64.20 N ATOM 1074 CA GLU A 847 -3.924 31.310 -7.423 1.00 1.35 C ATOM 1075 C GLU A 847 -3.803 32.207 -6.189 1.00 14.22 C ATOM 1076 O GLU A 847 -4.791 32.788 -5.740 1.00 44.14 O ATOM 1077 CB GLU A 847 -4.841 31.942 -8.472 1.00 33.43 C ATOM 1078 CG GLU A 847 -4.626 31.301 -9.845 1.00 12.34 C ATOM 1079 CD GLU A 847 -5.445 30.016 -9.984 1.00 44.15 C ATOM 1080 OE1 GLU A 847 -6.423 29.821 -9.249 1.00 15.43 O ATOM 1081 OE2 GLU A 847 -5.032 29.204 -10.898 1.00 31.12 O ATOM 0 H GLU A 847 -5.403 29.850 -7.154 1.00 64.20 H new ATOM 0 HA GLU A 847 -2.936 31.203 -7.870 1.00 1.35 H new ATOM 0 HB2 GLU A 847 -5.882 31.823 -8.170 1.00 33.43 H new ATOM 0 HB3 GLU A 847 -4.647 33.013 -8.532 1.00 33.43 H new ATOM 0 HG2 GLU A 847 -4.911 32.004 -10.627 1.00 12.34 H new ATOM 0 HG3 GLU A 847 -3.568 31.079 -9.985 1.00 12.34 H new ATOM 1089 N THR A 848 -2.585 32.292 -5.675 1.00 71.00 N ATOM 1090 CA THR A 848 -2.323 33.108 -4.502 1.00 2.31 C ATOM 1091 C THR A 848 -2.329 34.593 -4.873 1.00 31.52 C ATOM 1092 O THR A 848 -2.574 35.447 -4.023 1.00 52.41 O ATOM 1093 CB THR A 848 -1.002 32.641 -3.887 1.00 11.33 C ATOM 1094 OG1 THR A 848 -0.006 33.202 -4.737 1.00 64.32 O ATOM 1095 CG2 THR A 848 -0.797 31.131 -4.018 1.00 21.35 C ATOM 0 H THR A 848 -1.768 31.809 -6.050 1.00 71.00 H new ATOM 0 HA THR A 848 -3.107 32.989 -3.754 1.00 2.31 H new ATOM 0 HB THR A 848 -0.973 32.921 -2.834 1.00 11.33 H new ATOM 0 HG1 THR A 848 0.883 32.950 -4.410 1.00 64.32 H new ATOM 0 HG21 THR A 848 0.155 30.852 -3.566 1.00 21.35 H new ATOM 0 HG22 THR A 848 -1.607 30.608 -3.509 1.00 21.35 H new ATOM 0 HG23 THR A 848 -0.792 30.855 -5.072 1.00 21.35 H new TER 1103 THR A 848