USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 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 113:sc= 0.00545 USER MOD Set 1.2: A 841 TYR OH : rot 30:sc= -0.577 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 180:sc= 0 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ -156:sc= -0.0466 (180deg=-0.373) 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+ -170:sc= -0.26 (180deg=-0.44) USER MOD Single : A 826 TYR OH : rot 133:sc= 0.989 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc=-0.00708 X(o=-0.0071,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.445 12.099 -5.623 1.00 23.53 N ATOM 64 CA GLY A 785 3.796 12.699 -6.776 1.00 65.30 C ATOM 65 C GLY A 785 4.734 12.715 -7.985 1.00 55.25 C ATOM 66 O GLY A 785 4.399 12.181 -9.042 1.00 11.12 O ATOM 0 HA2 GLY A 785 2.892 12.142 -7.020 1.00 65.30 H new ATOM 0 HA3 GLY A 785 3.488 13.717 -6.536 1.00 65.30 H new ATOM 70 N THR A 786 5.889 13.334 -7.790 1.00 73.04 N ATOM 71 CA THR A 786 6.876 13.427 -8.852 1.00 5.10 C ATOM 72 C THR A 786 8.269 13.665 -8.265 1.00 62.01 C ATOM 73 O THR A 786 8.426 13.760 -7.049 1.00 3.31 O ATOM 74 CB THR A 786 6.429 14.525 -9.819 1.00 70.22 C ATOM 75 OG1 THR A 786 5.894 15.537 -8.971 1.00 51.55 O ATOM 76 CG2 THR A 786 5.241 14.096 -10.683 1.00 20.22 C ATOM 0 H THR A 786 6.163 13.776 -6.913 1.00 73.04 H new ATOM 0 HA THR A 786 6.947 12.493 -9.409 1.00 5.10 H new ATOM 0 HB THR A 786 7.263 14.804 -10.462 1.00 70.22 H new ATOM 0 HG1 THR A 786 6.468 16.331 -9.006 1.00 51.55 H new ATOM 0 HG21 THR A 786 4.964 14.911 -11.351 1.00 20.22 H new ATOM 0 HG22 THR A 786 5.517 13.222 -11.272 1.00 20.22 H new ATOM 0 HG23 THR A 786 4.395 13.849 -10.042 1.00 20.22 H new ATOM 84 N ALA A 787 9.245 13.754 -9.157 1.00 52.01 N ATOM 85 CA ALA A 787 10.619 13.979 -8.743 1.00 3.01 C ATOM 86 C ALA A 787 11.302 14.914 -9.743 1.00 63.32 C ATOM 87 O ALA A 787 11.591 14.517 -10.871 1.00 41.43 O ATOM 88 CB ALA A 787 11.340 12.636 -8.614 1.00 62.31 C ATOM 0 H ALA A 787 9.111 13.674 -10.165 1.00 52.01 H new ATOM 0 HA ALA A 787 10.651 14.461 -7.766 1.00 3.01 H new ATOM 0 HB1 ALA A 787 12.371 12.805 -8.303 1.00 62.31 H new ATOM 0 HB2 ALA A 787 10.833 12.021 -7.870 1.00 62.31 H new ATOM 0 HB3 ALA A 787 11.330 12.124 -9.576 1.00 62.31 H new ATOM 94 N LYS A 788 11.541 16.137 -9.294 1.00 31.03 N ATOM 95 CA LYS A 788 12.185 17.131 -10.135 1.00 54.33 C ATOM 96 C LYS A 788 13.674 16.804 -10.255 1.00 44.41 C ATOM 97 O LYS A 788 14.404 16.843 -9.265 1.00 54.13 O ATOM 98 CB LYS A 788 11.905 18.541 -9.610 1.00 35.45 C ATOM 99 CG LYS A 788 11.770 19.539 -10.761 1.00 63.12 C ATOM 100 CD LYS A 788 10.956 20.762 -10.334 1.00 44.15 C ATOM 101 CE LYS A 788 11.463 22.028 -11.029 1.00 63.52 C ATOM 102 NZ LYS A 788 10.579 23.175 -10.725 1.00 45.12 N ATOM 0 H LYS A 788 11.300 16.462 -8.358 1.00 31.03 H new ATOM 0 HA LYS A 788 11.770 17.103 -11.143 1.00 54.33 H new ATOM 0 HB2 LYS A 788 10.990 18.537 -9.018 1.00 35.45 H new ATOM 0 HB3 LYS A 788 12.712 18.853 -8.947 1.00 35.45 H new ATOM 0 HG2 LYS A 788 12.760 19.854 -11.092 1.00 63.12 H new ATOM 0 HG3 LYS A 788 11.288 19.056 -11.611 1.00 63.12 H new ATOM 0 HD2 LYS A 788 9.905 20.606 -10.576 1.00 44.15 H new ATOM 0 HD3 LYS A 788 11.019 20.886 -9.253 1.00 44.15 H new ATOM 0 HE2 LYS A 788 12.479 22.248 -10.702 1.00 63.52 H new ATOM 0 HE3 LYS A 788 11.503 21.867 -12.106 1.00 63.52 H new ATOM 0 HZ1 LYS A 788 10.937 24.026 -11.204 1.00 45.12 H new ATOM 0 HZ2 LYS A 788 9.616 22.969 -11.059 1.00 45.12 H new ATOM 0 HZ3 LYS A 788 10.562 23.337 -9.698 1.00 45.12 H new ATOM 115 N ALA A 789 14.082 16.490 -11.476 1.00 22.12 N ATOM 116 CA ALA A 789 15.472 16.156 -11.738 1.00 10.41 C ATOM 117 C ALA A 789 16.355 17.353 -11.379 1.00 44.03 C ATOM 118 O ALA A 789 16.014 18.495 -11.685 1.00 64.41 O ATOM 119 CB ALA A 789 15.629 15.733 -13.200 1.00 13.31 C ATOM 0 H ALA A 789 13.474 16.460 -12.295 1.00 22.12 H new ATOM 0 HA ALA A 789 15.788 15.315 -11.120 1.00 10.41 H new ATOM 0 HB1 ALA A 789 16.672 15.483 -13.396 1.00 13.31 H new ATOM 0 HB2 ALA A 789 15.003 14.862 -13.396 1.00 13.31 H new ATOM 0 HB3 ALA A 789 15.324 16.553 -13.851 1.00 13.31 H new ATOM 125 N ARG A 790 17.473 17.051 -10.736 1.00 24.30 N ATOM 126 CA ARG A 790 18.408 18.087 -10.332 1.00 44.35 C ATOM 127 C ARG A 790 19.706 17.973 -11.134 1.00 64.24 C ATOM 128 O ARG A 790 20.590 18.820 -11.016 1.00 50.33 O ATOM 129 CB ARG A 790 18.729 17.989 -8.840 1.00 11.13 C ATOM 130 CG ARG A 790 17.560 18.497 -7.993 1.00 74.44 C ATOM 131 CD ARG A 790 17.367 20.004 -8.171 1.00 44.04 C ATOM 132 NE ARG A 790 16.427 20.266 -9.283 1.00 54.43 N ATOM 133 CZ ARG A 790 16.238 21.480 -9.844 1.00 75.45 C ATOM 134 NH1 ARG A 790 16.924 22.554 -9.401 1.00 42.12 N ATOM 135 NH2 ARG A 790 15.371 21.600 -10.833 1.00 20.50 N ATOM 0 H ARG A 790 17.753 16.103 -10.485 1.00 24.30 H new ATOM 0 HA ARG A 790 17.939 19.051 -10.528 1.00 44.35 H new ATOM 0 HB2 ARG A 790 18.949 16.954 -8.579 1.00 11.13 H new ATOM 0 HB3 ARG A 790 19.624 18.571 -8.618 1.00 11.13 H new ATOM 0 HG2 ARG A 790 16.647 17.974 -8.277 1.00 74.44 H new ATOM 0 HG3 ARG A 790 17.743 18.272 -6.942 1.00 74.44 H new ATOM 0 HD2 ARG A 790 16.984 20.441 -7.249 1.00 44.04 H new ATOM 0 HD3 ARG A 790 18.326 20.480 -8.375 1.00 44.04 H new ATOM 0 HE ARG A 790 15.888 19.481 -9.649 1.00 54.43 H new ATOM 0 HH11 ARG A 790 17.592 22.453 -8.637 1.00 42.12 H new ATOM 0 HH12 ARG A 790 16.775 23.467 -9.831 1.00 42.12 H new ATOM 0 HH21 ARG A 790 14.856 20.783 -11.162 1.00 20.50 H new ATOM 0 HH22 ARG A 790 15.216 22.510 -11.268 1.00 20.50 H new ATOM 148 N TYR A 791 19.780 16.918 -11.932 1.00 64.34 N ATOM 149 CA TYR A 791 20.956 16.681 -12.754 1.00 14.54 C ATOM 150 C TYR A 791 20.587 15.932 -14.036 1.00 10.42 C ATOM 151 O TYR A 791 19.933 14.892 -13.985 1.00 22.31 O ATOM 152 CB TYR A 791 21.887 15.804 -11.915 1.00 11.35 C ATOM 153 CG TYR A 791 22.348 16.457 -10.610 1.00 34.55 C ATOM 154 CD1 TYR A 791 23.438 17.302 -10.608 1.00 25.20 C ATOM 155 CD2 TYR A 791 21.672 16.200 -9.434 1.00 21.44 C ATOM 156 CE1 TYR A 791 23.872 17.916 -9.380 1.00 20.43 C ATOM 157 CE2 TYR A 791 22.106 16.813 -8.205 1.00 53.43 C ATOM 158 CZ TYR A 791 23.184 17.641 -8.239 1.00 3.11 C ATOM 159 OH TYR A 791 23.594 18.221 -7.079 1.00 33.12 O ATOM 0 H TYR A 791 19.045 16.217 -12.027 1.00 64.34 H new ATOM 0 HA TYR A 791 21.419 17.625 -13.043 1.00 14.54 H new ATOM 0 HB2 TYR A 791 21.377 14.870 -11.681 1.00 11.35 H new ATOM 0 HB3 TYR A 791 22.763 15.548 -12.511 1.00 11.35 H new ATOM 0 HD1 TYR A 791 23.966 17.503 -11.528 1.00 25.20 H new ATOM 0 HD2 TYR A 791 20.818 15.539 -9.436 1.00 21.44 H new ATOM 0 HE1 TYR A 791 24.724 18.580 -9.365 1.00 20.43 H new ATOM 0 HE2 TYR A 791 21.587 16.619 -7.278 1.00 53.43 H new ATOM 0 HH TYR A 791 23.010 17.935 -6.346 1.00 33.12 H new ATOM 169 N ASP A 792 21.022 16.491 -15.155 1.00 44.05 N ATOM 170 CA ASP A 792 20.746 15.889 -16.449 1.00 25.12 C ATOM 171 C ASP A 792 21.473 14.546 -16.547 1.00 21.02 C ATOM 172 O ASP A 792 22.701 14.503 -16.593 1.00 65.31 O ATOM 173 CB ASP A 792 21.244 16.780 -17.589 1.00 21.14 C ATOM 174 CG ASP A 792 21.160 18.283 -17.318 1.00 2.42 C ATOM 175 OD1 ASP A 792 20.067 18.840 -17.138 1.00 72.01 O ATOM 176 OD2 ASP A 792 22.295 18.897 -17.295 1.00 15.32 O ATOM 0 H ASP A 792 21.564 17.354 -15.193 1.00 44.05 H new ATOM 0 HA ASP A 792 19.667 15.760 -16.537 1.00 25.12 H new ATOM 0 HB2 ASP A 792 22.281 16.522 -17.805 1.00 21.14 H new ATOM 0 HB3 ASP A 792 20.666 16.555 -18.485 1.00 21.14 H new ATOM 182 N PHE A 793 20.683 13.483 -16.575 1.00 61.34 N ATOM 183 CA PHE A 793 21.236 12.142 -16.667 1.00 52.00 C ATOM 184 C PHE A 793 21.098 11.588 -18.087 1.00 2.14 C ATOM 185 O PHE A 793 19.987 11.370 -18.567 1.00 30.44 O ATOM 186 CB PHE A 793 20.433 11.261 -15.708 1.00 73.34 C ATOM 187 CG PHE A 793 21.231 10.098 -15.116 1.00 31.42 C ATOM 188 CD1 PHE A 793 22.504 10.298 -14.681 1.00 13.21 C ATOM 189 CD2 PHE A 793 20.667 8.863 -15.024 1.00 45.20 C ATOM 190 CE1 PHE A 793 23.245 9.219 -14.131 1.00 35.22 C ATOM 191 CE2 PHE A 793 21.408 7.784 -14.474 1.00 63.21 C ATOM 192 CZ PHE A 793 22.681 7.984 -14.039 1.00 41.40 C ATOM 0 H PHE A 793 19.665 13.523 -16.536 1.00 61.34 H new ATOM 0 HA PHE A 793 22.296 12.158 -16.414 1.00 52.00 H new ATOM 0 HB2 PHE A 793 20.054 11.879 -14.894 1.00 73.34 H new ATOM 0 HB3 PHE A 793 19.567 10.862 -16.236 1.00 73.34 H new ATOM 0 HD1 PHE A 793 22.951 11.278 -14.754 1.00 13.21 H new ATOM 0 HD2 PHE A 793 19.656 8.704 -15.369 1.00 45.20 H new ATOM 0 HE1 PHE A 793 24.256 9.378 -13.786 1.00 35.22 H new ATOM 0 HE2 PHE A 793 20.961 6.804 -14.401 1.00 63.21 H new ATOM 0 HZ PHE A 793 23.244 7.163 -13.621 1.00 41.40 H new ATOM 202 N CYS A 794 22.243 11.377 -18.719 1.00 24.34 N ATOM 203 CA CYS A 794 22.265 10.852 -20.074 1.00 13.44 C ATOM 204 C CYS A 794 22.120 9.331 -20.002 1.00 70.03 C ATOM 205 O CYS A 794 22.916 8.658 -19.349 1.00 13.23 O ATOM 206 CB CYS A 794 23.532 11.271 -20.822 1.00 72.21 C ATOM 207 SG CYS A 794 23.353 10.908 -22.607 1.00 21.42 S ATOM 0 H CYS A 794 23.163 11.560 -18.318 1.00 24.34 H new ATOM 0 HA CYS A 794 21.433 11.268 -20.642 1.00 13.44 H new ATOM 0 HB2 CYS A 794 23.716 12.335 -20.675 1.00 72.21 H new ATOM 0 HB3 CYS A 794 24.395 10.740 -20.419 1.00 72.21 H new ATOM 0 HG CYS A 794 24.433 11.269 -23.234 1.00 21.42 H new ATOM 213 N ALA A 795 21.099 8.833 -20.684 1.00 13.12 N ATOM 214 CA ALA A 795 20.840 7.403 -20.706 1.00 15.51 C ATOM 215 C ALA A 795 21.662 6.758 -21.823 1.00 21.33 C ATOM 216 O ALA A 795 21.799 7.325 -22.905 1.00 53.15 O ATOM 217 CB ALA A 795 19.338 7.159 -20.872 1.00 3.24 C ATOM 0 H ALA A 795 20.441 9.394 -21.225 1.00 13.12 H new ATOM 0 HA ALA A 795 21.143 6.943 -19.765 1.00 15.51 H new ATOM 0 HB1 ALA A 795 19.143 6.087 -20.889 1.00 3.24 H new ATOM 0 HB2 ALA A 795 18.801 7.612 -20.039 1.00 3.24 H new ATOM 0 HB3 ALA A 795 18.998 7.604 -21.807 1.00 3.24 H new ATOM 223 N ARG A 796 22.189 5.580 -21.521 1.00 33.01 N ATOM 224 CA ARG A 796 22.994 4.851 -22.486 1.00 21.12 C ATOM 225 C ARG A 796 22.336 3.512 -22.823 1.00 32.53 C ATOM 226 O ARG A 796 22.789 2.801 -23.719 1.00 55.43 O ATOM 227 CB ARG A 796 24.404 4.597 -21.947 1.00 55.52 C ATOM 228 CG ARG A 796 24.405 4.546 -20.418 1.00 1.30 C ATOM 229 CD ARG A 796 23.683 3.296 -19.910 1.00 44.25 C ATOM 230 NE ARG A 796 24.365 2.081 -20.409 1.00 72.13 N ATOM 231 CZ ARG A 796 24.076 0.828 -19.997 1.00 40.22 C ATOM 232 NH1 ARG A 796 23.114 0.615 -19.074 1.00 3.20 N ATOM 233 NH2 ARG A 796 24.748 -0.185 -20.510 1.00 63.33 N ATOM 0 H ARG A 796 22.074 5.113 -20.622 1.00 33.01 H new ATOM 0 HA ARG A 796 23.065 5.461 -23.386 1.00 21.12 H new ATOM 0 HB2 ARG A 796 24.786 3.657 -22.346 1.00 55.52 H new ATOM 0 HB3 ARG A 796 25.075 5.385 -22.289 1.00 55.52 H new ATOM 0 HG2 ARG A 796 25.431 4.552 -20.051 1.00 1.30 H new ATOM 0 HG3 ARG A 796 23.920 5.437 -20.021 1.00 1.30 H new ATOM 0 HD2 ARG A 796 23.667 3.293 -18.820 1.00 44.25 H new ATOM 0 HD3 ARG A 796 22.645 3.304 -20.244 1.00 44.25 H new ATOM 0 HE ARG A 796 25.099 2.197 -21.108 1.00 72.13 H new ATOM 0 HH11 ARG A 796 22.599 1.404 -18.682 1.00 3.20 H new ATOM 0 HH12 ARG A 796 22.902 -0.335 -18.768 1.00 3.20 H new ATOM 0 HH21 ARG A 796 25.473 -0.015 -21.207 1.00 63.33 H new ATOM 0 HH22 ARG A 796 24.542 -1.138 -20.210 1.00 63.33 H new ATOM 246 N ASP A 797 21.278 3.207 -22.086 1.00 74.30 N ATOM 247 CA ASP A 797 20.552 1.965 -22.295 1.00 45.14 C ATOM 248 C ASP A 797 19.069 2.189 -21.994 1.00 62.32 C ATOM 249 O ASP A 797 18.700 3.192 -21.387 1.00 0.54 O ATOM 250 CB ASP A 797 21.064 0.865 -21.363 1.00 75.22 C ATOM 251 CG ASP A 797 22.202 0.015 -21.930 1.00 24.42 C ATOM 252 OD1 ASP A 797 22.178 -1.222 -21.848 1.00 33.43 O ATOM 253 OD2 ASP A 797 23.158 0.682 -22.482 1.00 63.01 O ATOM 0 H ASP A 797 20.906 3.799 -21.343 1.00 74.30 H new ATOM 0 HA ASP A 797 20.700 1.658 -23.330 1.00 45.14 H new ATOM 0 HB2 ASP A 797 21.402 1.325 -20.434 1.00 75.22 H new ATOM 0 HB3 ASP A 797 20.232 0.208 -21.109 1.00 75.22 H new ATOM 259 N ARG A 798 18.259 1.237 -22.433 1.00 70.21 N ATOM 260 CA ARG A 798 16.824 1.317 -22.218 1.00 42.31 C ATOM 261 C ARG A 798 16.497 1.107 -20.738 1.00 75.35 C ATOM 262 O ARG A 798 15.362 1.318 -20.314 1.00 55.22 O ATOM 263 CB ARG A 798 16.083 0.270 -23.052 1.00 12.14 C ATOM 264 CG ARG A 798 16.236 0.551 -24.548 1.00 11.53 C ATOM 265 CD ARG A 798 15.768 -0.643 -25.381 1.00 72.30 C ATOM 266 NE ARG A 798 14.289 -0.687 -25.417 1.00 50.11 N ATOM 267 CZ ARG A 798 13.573 -1.766 -25.797 1.00 34.44 C ATOM 268 NH1 ARG A 798 14.195 -2.903 -26.176 1.00 51.44 N ATOM 269 NH2 ARG A 798 12.255 -1.694 -25.791 1.00 34.22 N ATOM 0 H ARG A 798 18.569 0.406 -22.937 1.00 70.21 H new ATOM 0 HA ARG A 798 16.496 2.309 -22.528 1.00 42.31 H new ATOM 0 HB2 ARG A 798 16.471 -0.723 -22.823 1.00 12.14 H new ATOM 0 HB3 ARG A 798 15.026 0.269 -22.785 1.00 12.14 H new ATOM 0 HG2 ARG A 798 15.658 1.435 -24.816 1.00 11.53 H new ATOM 0 HG3 ARG A 798 17.279 0.771 -24.775 1.00 11.53 H new ATOM 0 HD2 ARG A 798 16.162 -0.567 -26.394 1.00 72.30 H new ATOM 0 HD3 ARG A 798 16.157 -1.568 -24.956 1.00 72.30 H new ATOM 0 HE ARG A 798 13.779 0.151 -25.137 1.00 50.11 H new ATOM 0 HH11 ARG A 798 15.214 -2.951 -26.177 1.00 51.44 H new ATOM 0 HH12 ARG A 798 13.646 -3.714 -26.462 1.00 51.44 H new ATOM 0 HH21 ARG A 798 11.793 -0.832 -25.502 1.00 34.22 H new ATOM 0 HH22 ARG A 798 11.699 -2.500 -26.075 1.00 34.22 H new ATOM 282 N SER A 799 17.511 0.693 -19.994 1.00 21.33 N ATOM 283 CA SER A 799 17.345 0.451 -18.571 1.00 1.25 C ATOM 284 C SER A 799 17.515 1.759 -17.795 1.00 20.24 C ATOM 285 O SER A 799 17.116 1.853 -16.635 1.00 2.02 O ATOM 286 CB SER A 799 18.341 -0.596 -18.070 1.00 24.42 C ATOM 287 OG SER A 799 19.599 -0.018 -17.732 1.00 64.33 O ATOM 0 H SER A 799 18.451 0.519 -20.350 1.00 21.33 H new ATOM 0 HA SER A 799 16.339 0.065 -18.405 1.00 1.25 H new ATOM 0 HB2 SER A 799 17.928 -1.101 -17.197 1.00 24.42 H new ATOM 0 HB3 SER A 799 18.486 -1.355 -18.838 1.00 24.42 H new ATOM 0 HG SER A 799 20.206 -0.719 -17.415 1.00 64.33 H new ATOM 293 N GLU A 800 18.108 2.735 -18.466 1.00 13.21 N ATOM 294 CA GLU A 800 18.335 4.033 -17.854 1.00 4.30 C ATOM 295 C GLU A 800 17.261 5.027 -18.302 1.00 24.15 C ATOM 296 O GLU A 800 16.733 4.919 -19.407 1.00 33.21 O ATOM 297 CB GLU A 800 19.736 4.556 -18.181 1.00 32.41 C ATOM 298 CG GLU A 800 20.005 5.885 -17.472 1.00 73.41 C ATOM 299 CD GLU A 800 21.505 6.180 -17.412 1.00 13.03 C ATOM 300 OE1 GLU A 800 21.910 7.350 -17.488 1.00 72.51 O ATOM 301 OE2 GLU A 800 22.260 5.143 -17.279 1.00 71.53 O ATOM 0 H GLU A 800 18.438 2.653 -19.428 1.00 13.21 H new ATOM 0 HA GLU A 800 18.268 3.919 -16.772 1.00 4.30 H new ATOM 0 HB2 GLU A 800 20.482 3.821 -17.879 1.00 32.41 H new ATOM 0 HB3 GLU A 800 19.837 4.688 -19.258 1.00 32.41 H new ATOM 0 HG2 GLU A 800 19.493 6.691 -17.997 1.00 73.41 H new ATOM 0 HG3 GLU A 800 19.596 5.852 -16.462 1.00 73.41 H new ATOM 309 N LEU A 801 16.971 5.972 -17.420 1.00 12.21 N ATOM 310 CA LEU A 801 15.969 6.984 -17.710 1.00 43.24 C ATOM 311 C LEU A 801 16.667 8.298 -18.069 1.00 70.33 C ATOM 312 O LEU A 801 17.666 8.663 -17.452 1.00 23.21 O ATOM 313 CB LEU A 801 14.982 7.110 -16.549 1.00 32.34 C ATOM 314 CG LEU A 801 13.531 7.410 -16.931 1.00 30.11 C ATOM 315 CD1 LEU A 801 12.661 7.584 -15.685 1.00 15.11 C ATOM 316 CD2 LEU A 801 13.449 8.621 -17.862 1.00 14.44 C ATOM 0 H LEU A 801 17.412 6.058 -16.504 1.00 12.21 H new ATOM 0 HA LEU A 801 15.372 6.692 -18.574 1.00 43.24 H new ATOM 0 HB2 LEU A 801 15.002 6.181 -15.979 1.00 32.34 H new ATOM 0 HB3 LEU A 801 15.332 7.900 -15.884 1.00 32.34 H new ATOM 0 HG LEU A 801 13.138 6.555 -17.480 1.00 30.11 H new ATOM 0 HD11 LEU A 801 11.635 7.796 -15.985 1.00 15.11 H new ATOM 0 HD12 LEU A 801 12.684 6.668 -15.094 1.00 15.11 H new ATOM 0 HD13 LEU A 801 13.043 8.412 -15.087 1.00 15.11 H new ATOM 0 HD21 LEU A 801 12.407 8.813 -18.118 1.00 14.44 H new ATOM 0 HD22 LEU A 801 13.866 9.494 -17.361 1.00 14.44 H new ATOM 0 HD23 LEU A 801 14.015 8.420 -18.771 1.00 14.44 H new ATOM 328 N SER A 802 16.113 8.972 -19.066 1.00 13.00 N ATOM 329 CA SER A 802 16.669 10.237 -19.514 1.00 42.24 C ATOM 330 C SER A 802 16.164 11.375 -18.625 1.00 44.42 C ATOM 331 O SER A 802 14.983 11.715 -18.657 1.00 14.04 O ATOM 332 CB SER A 802 16.312 10.508 -20.977 1.00 44.22 C ATOM 333 OG SER A 802 16.436 11.888 -21.310 1.00 50.30 O ATOM 0 H SER A 802 15.285 8.666 -19.576 1.00 13.00 H new ATOM 0 HA SER A 802 17.755 10.179 -19.438 1.00 42.24 H new ATOM 0 HB2 SER A 802 16.962 9.919 -21.624 1.00 44.22 H new ATOM 0 HB3 SER A 802 15.290 10.179 -21.168 1.00 44.22 H new ATOM 0 HG SER A 802 16.201 12.020 -22.252 1.00 50.30 H new ATOM 339 N LEU A 803 17.085 11.933 -17.853 1.00 43.22 N ATOM 340 CA LEU A 803 16.748 13.026 -16.957 1.00 5.22 C ATOM 341 C LEU A 803 17.253 14.342 -17.552 1.00 3.20 C ATOM 342 O LEU A 803 18.118 14.341 -18.426 1.00 63.34 O ATOM 343 CB LEU A 803 17.276 12.746 -15.548 1.00 60.12 C ATOM 344 CG LEU A 803 16.354 11.935 -14.636 1.00 32.23 C ATOM 345 CD1 LEU A 803 15.505 10.954 -15.446 1.00 71.34 C ATOM 346 CD2 LEU A 803 17.151 11.230 -13.536 1.00 44.35 C ATOM 0 H LEU A 803 18.064 11.649 -17.830 1.00 43.22 H new ATOM 0 HA LEU A 803 15.666 13.116 -16.856 1.00 5.22 H new ATOM 0 HB2 LEU A 803 18.225 12.217 -15.635 1.00 60.12 H new ATOM 0 HB3 LEU A 803 17.486 13.700 -15.064 1.00 60.12 H new ATOM 0 HG LEU A 803 15.668 12.625 -14.145 1.00 32.23 H new ATOM 0 HD11 LEU A 803 14.859 10.390 -14.773 1.00 71.34 H new ATOM 0 HD12 LEU A 803 14.893 11.506 -16.160 1.00 71.34 H new ATOM 0 HD13 LEU A 803 16.157 10.266 -15.983 1.00 71.34 H new ATOM 0 HD21 LEU A 803 16.471 10.661 -12.902 1.00 44.35 H new ATOM 0 HD22 LEU A 803 17.877 10.554 -13.989 1.00 44.35 H new ATOM 0 HD23 LEU A 803 17.674 11.972 -12.933 1.00 44.35 H new ATOM 358 N LYS A 804 16.691 15.434 -17.054 1.00 63.22 N ATOM 359 CA LYS A 804 17.074 16.754 -17.526 1.00 34.02 C ATOM 360 C LYS A 804 16.694 17.797 -16.473 1.00 34.23 C ATOM 361 O LYS A 804 15.512 18.043 -16.236 1.00 31.23 O ATOM 362 CB LYS A 804 16.471 17.025 -18.906 1.00 13.44 C ATOM 363 CG LYS A 804 17.407 17.890 -19.753 1.00 31.24 C ATOM 364 CD LYS A 804 17.085 19.376 -19.582 1.00 21.10 C ATOM 365 CE LYS A 804 16.008 19.821 -20.573 1.00 70.12 C ATOM 366 NZ LYS A 804 16.547 19.838 -21.951 1.00 61.24 N ATOM 0 H LYS A 804 15.974 15.432 -16.329 1.00 63.22 H new ATOM 0 HA LYS A 804 18.154 16.813 -17.659 1.00 34.02 H new ATOM 0 HB2 LYS A 804 16.282 16.080 -19.416 1.00 13.44 H new ATOM 0 HB3 LYS A 804 15.509 17.525 -18.795 1.00 13.44 H new ATOM 0 HG2 LYS A 804 18.441 17.703 -19.465 1.00 31.24 H new ATOM 0 HG3 LYS A 804 17.314 17.612 -20.803 1.00 31.24 H new ATOM 0 HD2 LYS A 804 16.746 19.563 -18.563 1.00 21.10 H new ATOM 0 HD3 LYS A 804 17.988 19.967 -19.732 1.00 21.10 H new ATOM 0 HE2 LYS A 804 15.154 19.146 -20.519 1.00 70.12 H new ATOM 0 HE3 LYS A 804 15.647 20.814 -20.305 1.00 70.12 H new ATOM 0 HZ1 LYS A 804 15.991 20.496 -22.533 1.00 61.24 H new ATOM 0 HZ2 LYS A 804 17.540 20.147 -21.932 1.00 61.24 H new ATOM 0 HZ3 LYS A 804 16.490 18.883 -22.358 1.00 61.24 H new ATOM 379 N GLU A 805 17.718 18.382 -15.869 1.00 34.20 N ATOM 380 CA GLU A 805 17.506 19.392 -14.847 1.00 11.53 C ATOM 381 C GLU A 805 16.331 20.295 -15.228 1.00 51.32 C ATOM 382 O GLU A 805 16.212 20.713 -16.379 1.00 64.31 O ATOM 383 CB GLU A 805 18.776 20.214 -14.616 1.00 70.32 C ATOM 384 CG GLU A 805 19.679 19.547 -13.576 1.00 15.32 C ATOM 385 CD GLU A 805 21.147 19.904 -13.815 1.00 61.44 C ATOM 386 OE1 GLU A 805 21.790 19.321 -14.701 1.00 72.14 O ATOM 387 OE2 GLU A 805 21.618 20.823 -13.043 1.00 22.24 O ATOM 0 H GLU A 805 18.697 18.176 -16.068 1.00 34.20 H new ATOM 0 HA GLU A 805 17.263 18.888 -13.911 1.00 11.53 H new ATOM 0 HB2 GLU A 805 19.318 20.325 -15.555 1.00 70.32 H new ATOM 0 HB3 GLU A 805 18.509 21.216 -14.282 1.00 70.32 H new ATOM 0 HG2 GLU A 805 19.382 19.863 -12.576 1.00 15.32 H new ATOM 0 HG3 GLU A 805 19.552 18.465 -13.619 1.00 15.32 H new ATOM 395 N GLY A 806 15.492 20.570 -14.240 1.00 42.21 N ATOM 396 CA GLY A 806 14.331 21.416 -14.458 1.00 32.23 C ATOM 397 C GLY A 806 13.143 20.596 -14.967 1.00 3.21 C ATOM 398 O GLY A 806 12.096 21.152 -15.294 1.00 71.33 O ATOM 0 H GLY A 806 15.593 20.222 -13.287 1.00 42.21 H new ATOM 0 HA2 GLY A 806 14.061 21.916 -13.528 1.00 32.23 H new ATOM 0 HA3 GLY A 806 14.575 22.196 -15.179 1.00 32.23 H new ATOM 402 N ASP A 807 13.347 19.288 -15.018 1.00 34.14 N ATOM 403 CA ASP A 807 12.306 18.386 -15.481 1.00 52.23 C ATOM 404 C ASP A 807 11.716 17.637 -14.285 1.00 13.22 C ATOM 405 O ASP A 807 12.304 17.624 -13.205 1.00 30.03 O ATOM 406 CB ASP A 807 12.869 17.351 -16.457 1.00 33.54 C ATOM 407 CG ASP A 807 13.362 17.918 -17.789 1.00 3.21 C ATOM 408 OD1 ASP A 807 13.329 17.237 -18.825 1.00 15.52 O ATOM 409 OD2 ASP A 807 13.802 19.130 -17.736 1.00 21.32 O ATOM 0 H ASP A 807 14.218 18.831 -14.746 1.00 34.14 H new ATOM 0 HA ASP A 807 11.544 18.981 -15.985 1.00 52.23 H new ATOM 0 HB2 ASP A 807 13.695 16.830 -15.973 1.00 33.54 H new ATOM 0 HB3 ASP A 807 12.098 16.608 -16.659 1.00 33.54 H new ATOM 415 N ILE A 808 10.560 17.032 -14.518 1.00 24.14 N ATOM 416 CA ILE A 808 9.884 16.282 -13.472 1.00 42.54 C ATOM 417 C ILE A 808 9.881 14.797 -13.837 1.00 20.52 C ATOM 418 O ILE A 808 9.762 14.441 -15.008 1.00 53.34 O ATOM 419 CB ILE A 808 8.489 16.856 -13.219 1.00 12.52 C ATOM 420 CG1 ILE A 808 7.903 17.459 -14.497 1.00 42.25 C ATOM 421 CG2 ILE A 808 8.511 17.865 -12.068 1.00 64.41 C ATOM 422 CD1 ILE A 808 8.545 18.812 -14.810 1.00 1.43 C ATOM 0 H ILE A 808 10.075 17.046 -15.415 1.00 24.14 H new ATOM 0 HA ILE A 808 10.419 16.377 -12.527 1.00 42.54 H new ATOM 0 HB ILE A 808 7.834 16.038 -12.919 1.00 12.52 H new ATOM 0 HG12 ILE A 808 8.061 16.776 -15.331 1.00 42.25 H new ATOM 0 HG13 ILE A 808 6.826 17.581 -14.385 1.00 42.25 H new ATOM 0 HG21 ILE A 808 7.507 18.258 -11.909 1.00 64.41 H new ATOM 0 HG22 ILE A 808 8.856 17.372 -11.159 1.00 64.41 H new ATOM 0 HG23 ILE A 808 9.186 18.684 -12.315 1.00 64.41 H new ATOM 0 HD11 ILE A 808 8.110 19.218 -15.723 1.00 1.43 H new ATOM 0 HD12 ILE A 808 8.364 19.500 -13.984 1.00 1.43 H new ATOM 0 HD13 ILE A 808 9.619 18.683 -14.946 1.00 1.43 H new ATOM 434 N ILE A 809 10.014 13.968 -12.811 1.00 55.23 N ATOM 435 CA ILE A 809 10.027 12.529 -13.009 1.00 25.32 C ATOM 436 C ILE A 809 8.838 11.906 -12.276 1.00 13.15 C ATOM 437 O ILE A 809 8.755 11.973 -11.050 1.00 62.01 O ATOM 438 CB ILE A 809 11.379 11.944 -12.595 1.00 4.22 C ATOM 439 CG1 ILE A 809 12.415 12.115 -13.709 1.00 34.55 C ATOM 440 CG2 ILE A 809 11.236 10.483 -12.164 1.00 2.10 C ATOM 441 CD1 ILE A 809 13.114 13.471 -13.604 1.00 41.30 C ATOM 0 H ILE A 809 10.114 14.266 -11.841 1.00 55.23 H new ATOM 0 HA ILE A 809 9.911 12.289 -14.066 1.00 25.32 H new ATOM 0 HB ILE A 809 11.741 12.500 -11.730 1.00 4.22 H new ATOM 0 HG12 ILE A 809 13.154 11.316 -13.649 1.00 34.55 H new ATOM 0 HG13 ILE A 809 11.928 12.027 -14.680 1.00 34.55 H new ATOM 0 HG21 ILE A 809 12.211 10.092 -11.875 1.00 2.10 H new ATOM 0 HG22 ILE A 809 10.554 10.419 -11.316 1.00 2.10 H new ATOM 0 HG23 ILE A 809 10.841 9.896 -12.993 1.00 2.10 H new ATOM 0 HD11 ILE A 809 13.845 13.567 -14.407 1.00 41.30 H new ATOM 0 HD12 ILE A 809 12.376 14.268 -13.688 1.00 41.30 H new ATOM 0 HD13 ILE A 809 13.620 13.546 -12.642 1.00 41.30 H new ATOM 453 N LYS A 810 7.946 11.315 -13.057 1.00 33.24 N ATOM 454 CA LYS A 810 6.764 10.681 -12.497 1.00 22.33 C ATOM 455 C LYS A 810 7.163 9.355 -11.844 1.00 53.44 C ATOM 456 O LYS A 810 7.587 8.425 -12.529 1.00 11.44 O ATOM 457 CB LYS A 810 5.676 10.539 -13.563 1.00 62.31 C ATOM 458 CG LYS A 810 4.565 9.598 -13.091 1.00 44.41 C ATOM 459 CD LYS A 810 4.152 9.917 -11.653 1.00 34.11 C ATOM 460 CE LYS A 810 2.667 9.621 -11.431 1.00 61.42 C ATOM 461 NZ LYS A 810 1.842 10.785 -11.825 1.00 31.45 N ATOM 0 H LYS A 810 8.018 11.262 -14.073 1.00 33.24 H new ATOM 0 HA LYS A 810 6.331 11.305 -11.715 1.00 22.33 H new ATOM 0 HB2 LYS A 810 5.255 11.518 -13.791 1.00 62.31 H new ATOM 0 HB3 LYS A 810 6.113 10.157 -14.486 1.00 62.31 H new ATOM 0 HG2 LYS A 810 3.702 9.689 -13.750 1.00 44.41 H new ATOM 0 HG3 LYS A 810 4.907 8.565 -13.155 1.00 44.41 H new ATOM 0 HD2 LYS A 810 4.752 9.328 -10.959 1.00 34.11 H new ATOM 0 HD3 LYS A 810 4.354 10.966 -11.437 1.00 34.11 H new ATOM 0 HE2 LYS A 810 2.374 8.747 -12.012 1.00 61.42 H new ATOM 0 HE3 LYS A 810 2.491 9.381 -10.382 1.00 61.42 H new ATOM 0 HZ1 LYS A 810 0.837 10.567 -11.668 1.00 31.45 H new ATOM 0 HZ2 LYS A 810 2.111 11.611 -11.253 1.00 31.45 H new ATOM 0 HZ3 LYS A 810 1.997 10.996 -12.831 1.00 31.45 H new ATOM 474 N ILE A 811 7.012 9.311 -10.529 1.00 10.32 N ATOM 475 CA ILE A 811 7.351 8.115 -9.776 1.00 52.34 C ATOM 476 C ILE A 811 6.326 7.020 -10.079 1.00 10.31 C ATOM 477 O ILE A 811 5.121 7.247 -9.976 1.00 24.24 O ATOM 478 CB ILE A 811 7.483 8.439 -8.287 1.00 24.01 C ATOM 479 CG1 ILE A 811 8.384 9.656 -8.068 1.00 40.44 C ATOM 480 CG2 ILE A 811 7.969 7.219 -7.502 1.00 34.33 C ATOM 481 CD1 ILE A 811 9.852 9.240 -7.961 1.00 23.10 C ATOM 0 H ILE A 811 6.659 10.084 -9.965 1.00 10.32 H new ATOM 0 HA ILE A 811 8.325 7.734 -10.083 1.00 52.34 H new ATOM 0 HB ILE A 811 6.495 8.696 -7.905 1.00 24.01 H new ATOM 0 HG12 ILE A 811 8.260 10.357 -8.893 1.00 40.44 H new ATOM 0 HG13 ILE A 811 8.083 10.177 -7.159 1.00 40.44 H new ATOM 0 HG21 ILE A 811 8.054 7.476 -6.446 1.00 34.33 H new ATOM 0 HG22 ILE A 811 7.256 6.403 -7.620 1.00 34.33 H new ATOM 0 HG23 ILE A 811 8.943 6.908 -7.880 1.00 34.33 H new ATOM 0 HD11 ILE A 811 10.470 10.124 -7.806 1.00 23.10 H new ATOM 0 HD12 ILE A 811 9.976 8.558 -7.120 1.00 23.10 H new ATOM 0 HD13 ILE A 811 10.157 8.741 -8.881 1.00 23.10 H new ATOM 493 N LEU A 812 6.842 5.857 -10.447 1.00 31.34 N ATOM 494 CA LEU A 812 5.987 4.726 -10.765 1.00 33.11 C ATOM 495 C LEU A 812 6.333 3.555 -9.843 1.00 72.10 C ATOM 496 O LEU A 812 5.449 2.966 -9.223 1.00 74.11 O ATOM 497 CB LEU A 812 6.081 4.385 -12.254 1.00 12.35 C ATOM 498 CG LEU A 812 6.162 5.577 -13.210 1.00 74.54 C ATOM 499 CD1 LEU A 812 6.978 5.225 -14.456 1.00 32.03 C ATOM 500 CD2 LEU A 812 4.765 6.090 -13.566 1.00 71.44 C ATOM 0 H LEU A 812 7.842 5.673 -10.532 1.00 31.34 H new ATOM 0 HA LEU A 812 4.942 4.976 -10.584 1.00 33.11 H new ATOM 0 HB2 LEU A 812 6.960 3.760 -12.409 1.00 12.35 H new ATOM 0 HB3 LEU A 812 5.212 3.785 -12.525 1.00 12.35 H new ATOM 0 HG LEU A 812 6.683 6.388 -12.702 1.00 74.54 H new ATOM 0 HD11 LEU A 812 7.020 6.089 -15.119 1.00 32.03 H new ATOM 0 HD12 LEU A 812 7.989 4.944 -14.161 1.00 32.03 H new ATOM 0 HD13 LEU A 812 6.507 4.391 -14.976 1.00 32.03 H new ATOM 0 HD21 LEU A 812 4.851 6.937 -14.246 1.00 71.44 H new ATOM 0 HD22 LEU A 812 4.197 5.294 -14.047 1.00 71.44 H new ATOM 0 HD23 LEU A 812 4.251 6.405 -12.658 1.00 71.44 H new ATOM 512 N ASN A 813 7.621 3.252 -9.782 1.00 2.21 N ATOM 513 CA ASN A 813 8.095 2.162 -8.946 1.00 41.11 C ATOM 514 C ASN A 813 9.240 2.663 -8.064 1.00 23.44 C ATOM 515 O ASN A 813 10.407 2.564 -8.440 1.00 23.24 O ATOM 516 CB ASN A 813 8.624 1.006 -9.797 1.00 23.12 C ATOM 517 CG ASN A 813 8.308 -0.343 -9.147 1.00 4.45 C ATOM 518 OD1 ASN A 813 7.204 -0.854 -9.223 1.00 74.54 O ATOM 519 ND2 ASN A 813 9.337 -0.887 -8.504 1.00 24.43 N ATOM 0 H ASN A 813 8.352 3.742 -10.298 1.00 2.21 H new ATOM 0 HA ASN A 813 7.258 1.811 -8.342 1.00 41.11 H new ATOM 0 HB2 ASN A 813 8.179 1.048 -10.791 1.00 23.12 H new ATOM 0 HB3 ASN A 813 9.702 1.108 -9.926 1.00 23.12 H new ATOM 0 HD21 ASN A 813 9.228 -1.786 -8.036 1.00 24.43 H new ATOM 0 HD22 ASN A 813 10.236 -0.405 -8.479 1.00 24.43 H new ATOM 526 N LYS A 814 8.867 3.189 -6.907 1.00 33.15 N ATOM 527 CA LYS A 814 9.848 3.705 -5.967 1.00 41.04 C ATOM 528 C LYS A 814 10.385 2.554 -5.114 1.00 43.40 C ATOM 529 O LYS A 814 9.962 2.372 -3.974 1.00 1.55 O ATOM 530 CB LYS A 814 9.254 4.853 -5.148 1.00 61.25 C ATOM 531 CG LYS A 814 10.070 5.099 -3.878 1.00 11.14 C ATOM 532 CD LYS A 814 10.088 6.586 -3.517 1.00 61.13 C ATOM 533 CE LYS A 814 8.814 6.985 -2.771 1.00 34.22 C ATOM 534 NZ LYS A 814 7.728 7.295 -3.728 1.00 20.12 N ATOM 0 H LYS A 814 7.898 3.269 -6.599 1.00 33.15 H new ATOM 0 HA LYS A 814 10.698 4.131 -6.499 1.00 41.04 H new ATOM 0 HB2 LYS A 814 9.230 5.761 -5.751 1.00 61.25 H new ATOM 0 HB3 LYS A 814 8.223 4.620 -4.883 1.00 61.25 H new ATOM 0 HG2 LYS A 814 9.647 4.526 -3.053 1.00 11.14 H new ATOM 0 HG3 LYS A 814 11.090 4.744 -4.023 1.00 11.14 H new ATOM 0 HD2 LYS A 814 10.959 6.803 -2.898 1.00 61.13 H new ATOM 0 HD3 LYS A 814 10.185 7.183 -4.424 1.00 61.13 H new ATOM 0 HE2 LYS A 814 8.504 6.176 -2.110 1.00 34.22 H new ATOM 0 HE3 LYS A 814 9.011 7.853 -2.142 1.00 34.22 H new ATOM 0 HZ1 LYS A 814 6.929 7.724 -3.219 1.00 20.12 H new ATOM 0 HZ2 LYS A 814 8.078 7.960 -4.447 1.00 20.12 H new ATOM 0 HZ3 LYS A 814 7.413 6.419 -4.191 1.00 20.12 H new ATOM 609 N GLY A 819 18.508 3.134 -3.754 1.00 22.35 N ATOM 610 CA GLY A 819 18.515 2.461 -5.042 1.00 13.24 C ATOM 611 C GLY A 819 18.158 3.432 -6.169 1.00 11.21 C ATOM 612 O GLY A 819 18.855 4.423 -6.384 1.00 30.42 O ATOM 0 HA2 GLY A 819 19.499 2.030 -5.226 1.00 13.24 H new ATOM 0 HA3 GLY A 819 17.803 1.636 -5.029 1.00 13.24 H new ATOM 616 N TRP A 820 17.073 3.114 -6.859 1.00 55.41 N ATOM 617 CA TRP A 820 16.615 3.946 -7.959 1.00 13.31 C ATOM 618 C TRP A 820 15.085 3.971 -7.928 1.00 62.23 C ATOM 619 O TRP A 820 14.464 3.234 -7.164 1.00 1.02 O ATOM 620 CB TRP A 820 17.178 3.451 -9.292 1.00 41.13 C ATOM 621 CG TRP A 820 16.813 2.003 -9.623 1.00 33.42 C ATOM 622 CD1 TRP A 820 15.976 1.191 -8.961 1.00 44.11 C ATOM 623 CD2 TRP A 820 17.309 1.222 -10.731 1.00 30.04 C ATOM 624 NE1 TRP A 820 15.898 -0.050 -9.559 1.00 33.32 N ATOM 625 CE2 TRP A 820 16.734 -0.031 -10.669 1.00 53.21 C ATOM 626 CE3 TRP A 820 18.214 1.563 -11.751 1.00 51.41 C ATOM 627 CZ2 TRP A 820 17.000 -1.043 -11.599 1.00 54.01 C ATOM 628 CZ3 TRP A 820 18.469 0.541 -12.673 1.00 22.34 C ATOM 629 CH2 TRP A 820 17.898 -0.726 -12.625 1.00 3.35 C ATOM 0 H TRP A 820 16.497 2.292 -6.678 1.00 55.41 H new ATOM 0 HA TRP A 820 16.982 4.967 -7.849 1.00 13.31 H new ATOM 0 HB2 TRP A 820 16.815 4.098 -10.091 1.00 41.13 H new ATOM 0 HB3 TRP A 820 18.264 3.546 -9.274 1.00 41.13 H new ATOM 0 HD1 TRP A 820 15.432 1.473 -8.072 1.00 44.11 H new ATOM 0 HE1 TRP A 820 15.331 -0.837 -9.244 1.00 33.32 H new ATOM 0 HE3 TRP A 820 18.676 2.537 -11.818 1.00 51.41 H new ATOM 0 HZ2 TRP A 820 16.537 -2.016 -11.529 1.00 54.01 H new ATOM 0 HZ3 TRP A 820 19.157 0.751 -13.478 1.00 22.34 H new ATOM 0 HH2 TRP A 820 18.146 -1.462 -13.376 1.00 3.35 H new ATOM 640 N TRP A 821 14.522 4.826 -8.769 1.00 70.23 N ATOM 641 CA TRP A 821 13.077 4.956 -8.848 1.00 71.02 C ATOM 642 C TRP A 821 12.666 4.785 -10.312 1.00 41.21 C ATOM 643 O TRP A 821 13.279 5.369 -11.205 1.00 22.43 O ATOM 644 CB TRP A 821 12.613 6.284 -8.248 1.00 55.41 C ATOM 645 CG TRP A 821 12.797 6.381 -6.732 1.00 72.33 C ATOM 646 CD1 TRP A 821 12.857 5.380 -5.843 1.00 75.12 C ATOM 647 CD2 TRP A 821 12.944 7.591 -5.959 1.00 71.51 C ATOM 648 NE1 TRP A 821 13.031 5.854 -4.559 1.00 14.02 N ATOM 649 CE2 TRP A 821 13.086 7.241 -4.632 1.00 15.13 C ATOM 650 CE3 TRP A 821 12.957 8.936 -6.368 1.00 60.41 C ATOM 651 CZ2 TRP A 821 13.250 8.179 -3.605 1.00 62.04 C ATOM 652 CZ3 TRP A 821 13.122 9.861 -5.330 1.00 64.24 C ATOM 653 CH2 TRP A 821 13.266 9.525 -3.989 1.00 42.22 C ATOM 0 H TRP A 821 15.040 5.436 -9.402 1.00 70.23 H new ATOM 0 HA TRP A 821 12.587 4.182 -8.257 1.00 71.02 H new ATOM 0 HB2 TRP A 821 13.162 7.097 -8.723 1.00 55.41 H new ATOM 0 HB3 TRP A 821 11.559 6.430 -8.486 1.00 55.41 H new ATOM 0 HD1 TRP A 821 12.779 4.334 -6.099 1.00 75.12 H new ATOM 0 HE1 TRP A 821 13.106 5.290 -3.712 1.00 14.02 H new ATOM 0 HE3 TRP A 821 12.848 9.232 -7.401 1.00 60.41 H new ATOM 0 HZ2 TRP A 821 13.358 7.880 -2.573 1.00 62.04 H new ATOM 0 HZ3 TRP A 821 13.139 10.909 -5.590 1.00 64.24 H new ATOM 0 HH2 TRP A 821 13.390 10.299 -3.246 1.00 42.22 H new ATOM 664 N ARG A 822 11.631 3.983 -10.513 1.00 62.33 N ATOM 665 CA ARG A 822 11.131 3.728 -11.854 1.00 23.24 C ATOM 666 C ARG A 822 10.086 4.777 -12.239 1.00 22.22 C ATOM 667 O ARG A 822 8.942 4.711 -11.793 1.00 32.13 O ATOM 668 CB ARG A 822 10.506 2.335 -11.953 1.00 22.24 C ATOM 669 CG ARG A 822 10.524 1.827 -13.396 1.00 13.41 C ATOM 670 CD ARG A 822 9.308 0.943 -13.681 1.00 11.21 C ATOM 671 NE ARG A 822 9.655 -0.479 -13.466 1.00 63.44 N ATOM 672 CZ ARG A 822 8.760 -1.437 -13.144 1.00 51.10 C ATOM 673 NH1 ARG A 822 7.453 -1.131 -12.996 1.00 23.11 N ATOM 674 NH2 ARG A 822 9.181 -2.676 -12.976 1.00 21.53 N ATOM 0 H ARG A 822 11.125 3.501 -9.770 1.00 62.33 H new ATOM 0 HA ARG A 822 11.977 3.784 -12.540 1.00 23.24 H new ATOM 0 HB2 ARG A 822 11.051 1.642 -11.313 1.00 22.24 H new ATOM 0 HB3 ARG A 822 9.480 2.366 -11.588 1.00 22.24 H new ATOM 0 HG2 ARG A 822 10.532 2.673 -14.083 1.00 13.41 H new ATOM 0 HG3 ARG A 822 11.439 1.262 -13.575 1.00 13.41 H new ATOM 0 HD2 ARG A 822 8.481 1.227 -13.030 1.00 11.21 H new ATOM 0 HD3 ARG A 822 8.972 1.093 -14.707 1.00 11.21 H new ATOM 0 HE ARG A 822 10.632 -0.753 -13.567 1.00 63.44 H new ATOM 0 HH11 ARG A 822 7.136 -0.170 -13.128 1.00 23.11 H new ATOM 0 HH12 ARG A 822 6.783 -1.860 -12.753 1.00 23.11 H new ATOM 0 HH21 ARG A 822 10.170 -2.898 -13.090 1.00 21.53 H new ATOM 0 HH22 ARG A 822 8.518 -3.411 -12.732 1.00 21.53 H new ATOM 687 N GLY A 823 10.517 5.720 -13.063 1.00 42.21 N ATOM 688 CA GLY A 823 9.633 6.782 -13.513 1.00 70.23 C ATOM 689 C GLY A 823 9.637 6.888 -15.040 1.00 13.14 C ATOM 690 O GLY A 823 10.179 6.022 -15.724 1.00 72.05 O ATOM 0 H GLY A 823 11.467 5.771 -13.431 1.00 42.21 H new ATOM 0 HA2 GLY A 823 8.619 6.590 -13.161 1.00 70.23 H new ATOM 0 HA3 GLY A 823 9.947 7.731 -13.078 1.00 70.23 H new ATOM 694 N GLU A 824 9.026 7.958 -15.528 1.00 33.51 N ATOM 695 CA GLU A 824 8.952 8.188 -16.961 1.00 13.34 C ATOM 696 C GLU A 824 8.875 9.688 -17.253 1.00 44.14 C ATOM 697 O GLU A 824 8.343 10.454 -16.452 1.00 2.43 O ATOM 698 CB GLU A 824 7.761 7.449 -17.574 1.00 64.44 C ATOM 699 CG GLU A 824 7.364 8.068 -18.916 1.00 34.32 C ATOM 700 CD GLU A 824 6.442 9.272 -18.712 1.00 75.41 C ATOM 701 OE1 GLU A 824 5.285 9.104 -18.296 1.00 65.32 O ATOM 702 OE2 GLU A 824 6.965 10.415 -19.002 1.00 21.55 O ATOM 0 H GLU A 824 8.578 8.675 -14.957 1.00 33.51 H new ATOM 0 HA GLU A 824 9.858 7.793 -17.421 1.00 13.34 H new ATOM 0 HB2 GLU A 824 8.014 6.398 -17.715 1.00 64.44 H new ATOM 0 HB3 GLU A 824 6.914 7.484 -16.888 1.00 64.44 H new ATOM 0 HG2 GLU A 824 8.258 8.378 -19.457 1.00 34.32 H new ATOM 0 HG3 GLU A 824 6.862 7.321 -19.531 1.00 34.32 H new ATOM 710 N ILE A 825 9.415 10.062 -18.404 1.00 41.21 N ATOM 711 CA ILE A 825 9.415 11.457 -18.813 1.00 31.44 C ATOM 712 C ILE A 825 9.105 11.545 -20.308 1.00 41.33 C ATOM 713 O ILE A 825 9.752 10.885 -21.120 1.00 51.30 O ATOM 714 CB ILE A 825 10.729 12.131 -18.416 1.00 4.42 C ATOM 715 CG1 ILE A 825 10.718 12.527 -16.938 1.00 2.32 C ATOM 716 CG2 ILE A 825 11.030 13.324 -19.326 1.00 64.43 C ATOM 717 CD1 ILE A 825 11.825 13.538 -16.633 1.00 3.34 C ATOM 0 H ILE A 825 9.856 9.423 -19.066 1.00 41.21 H new ATOM 0 HA ILE A 825 8.632 12.007 -18.292 1.00 31.44 H new ATOM 0 HB ILE A 825 11.536 11.411 -18.551 1.00 4.42 H new ATOM 0 HG12 ILE A 825 9.749 12.954 -16.680 1.00 2.32 H new ATOM 0 HG13 ILE A 825 10.850 11.640 -16.319 1.00 2.32 H new ATOM 0 HG21 ILE A 825 11.970 13.785 -19.022 1.00 64.43 H new ATOM 0 HG22 ILE A 825 11.110 12.983 -20.358 1.00 64.43 H new ATOM 0 HG23 ILE A 825 10.225 14.054 -19.247 1.00 64.43 H new ATOM 0 HD11 ILE A 825 11.795 13.803 -15.576 1.00 3.34 H new ATOM 0 HD12 ILE A 825 12.794 13.099 -16.870 1.00 3.34 H new ATOM 0 HD13 ILE A 825 11.676 14.434 -17.236 1.00 3.34 H new ATOM 729 N TYR A 826 8.116 12.367 -20.627 1.00 74.44 N ATOM 730 CA TYR A 826 7.712 12.550 -22.011 1.00 42.22 C ATOM 731 C TYR A 826 7.285 11.222 -22.639 1.00 22.33 C ATOM 732 O TYR A 826 7.382 11.045 -23.852 1.00 72.21 O ATOM 733 CB TYR A 826 8.949 13.073 -22.745 1.00 54.11 C ATOM 734 CG TYR A 826 9.612 14.274 -22.068 1.00 65.21 C ATOM 735 CD1 TYR A 826 8.929 14.988 -21.105 1.00 21.13 C ATOM 736 CD2 TYR A 826 10.895 14.643 -22.421 1.00 13.03 C ATOM 737 CE1 TYR A 826 9.554 16.118 -20.468 1.00 30.05 C ATOM 738 CE2 TYR A 826 11.520 15.773 -21.784 1.00 15.15 C ATOM 739 CZ TYR A 826 10.818 16.455 -20.838 1.00 64.23 C ATOM 740 OH TYR A 826 11.408 17.522 -20.237 1.00 5.15 O ATOM 0 H TYR A 826 7.583 12.914 -19.951 1.00 74.44 H new ATOM 0 HA TYR A 826 6.866 13.234 -22.076 1.00 42.22 H new ATOM 0 HB2 TYR A 826 9.678 12.267 -22.827 1.00 54.11 H new ATOM 0 HB3 TYR A 826 8.666 13.352 -23.760 1.00 54.11 H new ATOM 0 HD1 TYR A 826 7.926 14.699 -20.829 1.00 21.13 H new ATOM 0 HD2 TYR A 826 11.430 14.084 -23.175 1.00 13.03 H new ATOM 0 HE1 TYR A 826 9.030 16.685 -19.713 1.00 30.05 H new ATOM 0 HE2 TYR A 826 12.523 16.073 -22.051 1.00 15.15 H new ATOM 0 HH TYR A 826 12.317 17.281 -19.962 1.00 5.15 H new ATOM 750 N GLY A 827 6.822 10.322 -21.784 1.00 22.33 N ATOM 751 CA GLY A 827 6.380 9.015 -22.239 1.00 61.42 C ATOM 752 C GLY A 827 7.559 8.045 -22.350 1.00 14.12 C ATOM 753 O GLY A 827 7.415 6.947 -22.884 1.00 61.52 O ATOM 0 H GLY A 827 6.743 10.472 -20.778 1.00 22.33 H new ATOM 0 HA2 GLY A 827 5.640 8.616 -21.545 1.00 61.42 H new ATOM 0 HA3 GLY A 827 5.890 9.110 -23.208 1.00 61.42 H new ATOM 757 N ARG A 828 8.697 8.487 -21.836 1.00 21.31 N ATOM 758 CA ARG A 828 9.900 7.672 -21.870 1.00 74.32 C ATOM 759 C ARG A 828 10.129 7.006 -20.512 1.00 11.43 C ATOM 760 O ARG A 828 10.343 7.688 -19.511 1.00 2.52 O ATOM 761 CB ARG A 828 11.125 8.513 -22.232 1.00 1.34 C ATOM 762 CG ARG A 828 10.983 9.116 -23.631 1.00 0.34 C ATOM 763 CD ARG A 828 12.329 9.631 -24.145 1.00 12.41 C ATOM 764 NE ARG A 828 12.292 9.758 -25.619 1.00 3.30 N ATOM 765 CZ ARG A 828 12.541 8.742 -26.473 1.00 1.55 C ATOM 766 NH1 ARG A 828 12.847 7.514 -26.005 1.00 23.35 N ATOM 767 NH2 ARG A 828 12.481 8.969 -27.772 1.00 33.44 N ATOM 0 H ARG A 828 8.812 9.399 -21.394 1.00 21.31 H new ATOM 0 HA ARG A 828 9.761 6.907 -22.634 1.00 74.32 H new ATOM 0 HB2 ARG A 828 11.252 9.310 -21.500 1.00 1.34 H new ATOM 0 HB3 ARG A 828 12.021 7.894 -22.188 1.00 1.34 H new ATOM 0 HG2 ARG A 828 10.591 8.365 -24.317 1.00 0.34 H new ATOM 0 HG3 ARG A 828 10.262 9.933 -23.607 1.00 0.34 H new ATOM 0 HD2 ARG A 828 12.554 10.597 -23.694 1.00 12.41 H new ATOM 0 HD3 ARG A 828 13.126 8.948 -23.850 1.00 12.41 H new ATOM 0 HE ARG A 828 12.064 10.670 -26.015 1.00 3.30 H new ATOM 0 HH11 ARG A 828 12.892 7.348 -25.000 1.00 23.35 H new ATOM 0 HH12 ARG A 828 13.034 6.752 -26.657 1.00 23.35 H new ATOM 0 HH21 ARG A 828 12.249 9.901 -28.117 1.00 33.44 H new ATOM 0 HH22 ARG A 828 12.666 8.213 -28.431 1.00 33.44 H new ATOM 780 N ILE A 829 10.076 5.683 -20.520 1.00 61.44 N ATOM 781 CA ILE A 829 10.275 4.918 -19.301 1.00 64.52 C ATOM 782 C ILE A 829 11.770 4.653 -19.109 1.00 0.44 C ATOM 783 O ILE A 829 12.547 4.743 -20.058 1.00 3.13 O ATOM 784 CB ILE A 829 9.424 3.647 -19.321 1.00 72.50 C ATOM 785 CG1 ILE A 829 7.952 3.977 -19.579 1.00 22.54 C ATOM 786 CG2 ILE A 829 9.614 2.839 -18.035 1.00 53.32 C ATOM 787 CD1 ILE A 829 7.204 4.208 -18.264 1.00 41.53 C ATOM 0 H ILE A 829 9.898 5.120 -21.352 1.00 61.44 H new ATOM 0 HA ILE A 829 9.937 5.487 -18.435 1.00 64.52 H new ATOM 0 HB ILE A 829 9.763 3.022 -20.147 1.00 72.50 H new ATOM 0 HG12 ILE A 829 7.879 4.867 -20.204 1.00 22.54 H new ATOM 0 HG13 ILE A 829 7.484 3.161 -20.130 1.00 22.54 H new ATOM 0 HG21 ILE A 829 8.998 1.941 -18.075 1.00 53.32 H new ATOM 0 HG22 ILE A 829 10.662 2.556 -17.935 1.00 53.32 H new ATOM 0 HG23 ILE A 829 9.318 3.444 -17.178 1.00 53.32 H new ATOM 0 HD11 ILE A 829 6.160 4.441 -18.475 1.00 41.53 H new ATOM 0 HD12 ILE A 829 7.258 3.308 -17.652 1.00 41.53 H new ATOM 0 HD13 ILE A 829 7.660 5.040 -17.727 1.00 41.53 H new ATOM 799 N GLY A 830 12.127 4.333 -17.874 1.00 4.13 N ATOM 800 CA GLY A 830 13.515 4.055 -17.544 1.00 41.44 C ATOM 801 C GLY A 830 13.733 4.072 -16.030 1.00 62.20 C ATOM 802 O GLY A 830 12.784 4.233 -15.264 1.00 61.43 O ATOM 0 H GLY A 830 11.479 4.260 -17.089 1.00 4.13 H new ATOM 0 HA2 GLY A 830 13.800 3.082 -17.945 1.00 41.44 H new ATOM 0 HA3 GLY A 830 14.160 4.796 -18.016 1.00 41.44 H new ATOM 806 N TRP A 831 14.989 3.903 -15.643 1.00 42.24 N ATOM 807 CA TRP A 831 15.344 3.897 -14.234 1.00 70.43 C ATOM 808 C TRP A 831 16.289 5.072 -13.979 1.00 41.42 C ATOM 809 O TRP A 831 17.053 5.462 -14.861 1.00 22.11 O ATOM 810 CB TRP A 831 15.942 2.549 -13.826 1.00 4.10 C ATOM 811 CG TRP A 831 14.978 1.370 -13.970 1.00 15.44 C ATOM 812 CD1 TRP A 831 14.599 0.746 -15.093 1.00 42.24 C ATOM 813 CD2 TRP A 831 14.280 0.696 -12.902 1.00 34.42 C ATOM 814 NE1 TRP A 831 13.712 -0.277 -14.829 1.00 70.42 N ATOM 815 CE2 TRP A 831 13.512 -0.309 -13.454 1.00 74.20 C ATOM 816 CE3 TRP A 831 14.297 0.926 -11.515 1.00 12.40 C ATOM 817 CZ2 TRP A 831 12.704 -1.163 -12.693 1.00 54.43 C ATOM 818 CZ3 TRP A 831 13.484 0.065 -10.769 1.00 32.04 C ATOM 819 CH2 TRP A 831 12.705 -0.951 -11.309 1.00 73.24 C ATOM 0 H TRP A 831 15.774 3.769 -16.281 1.00 42.24 H new ATOM 0 HA TRP A 831 14.458 4.023 -13.612 1.00 70.43 H new ATOM 0 HB2 TRP A 831 16.827 2.357 -14.433 1.00 4.10 H new ATOM 0 HB3 TRP A 831 16.273 2.609 -12.789 1.00 4.10 H new ATOM 0 HD1 TRP A 831 14.945 1.011 -16.081 1.00 42.24 H new ATOM 0 HE1 TRP A 831 13.282 -0.896 -15.516 1.00 70.42 H new ATOM 0 HE3 TRP A 831 14.891 1.706 -11.061 1.00 12.40 H new ATOM 0 HZ2 TRP A 831 12.112 -1.943 -13.149 1.00 54.43 H new ATOM 0 HZ3 TRP A 831 13.460 0.200 -9.698 1.00 32.04 H new ATOM 0 HH2 TRP A 831 12.103 -1.574 -10.664 1.00 73.24 H new ATOM 830 N PHE A 832 16.206 5.605 -12.769 1.00 1.11 N ATOM 831 CA PHE A 832 17.045 6.729 -12.387 1.00 35.44 C ATOM 832 C PHE A 832 17.282 6.746 -10.875 1.00 51.32 C ATOM 833 O PHE A 832 16.451 6.264 -10.107 1.00 0.30 O ATOM 834 CB PHE A 832 16.297 8.002 -12.788 1.00 71.53 C ATOM 835 CG PHE A 832 15.008 8.241 -11.999 1.00 41.54 C ATOM 836 CD1 PHE A 832 13.866 7.591 -12.349 1.00 31.02 C ATOM 837 CD2 PHE A 832 15.005 9.105 -10.949 1.00 14.20 C ATOM 838 CE1 PHE A 832 12.670 7.814 -11.617 1.00 32.33 C ATOM 839 CE2 PHE A 832 13.808 9.328 -10.217 1.00 24.01 C ATOM 840 CZ PHE A 832 12.666 8.678 -10.566 1.00 62.52 C ATOM 0 H PHE A 832 15.571 5.280 -12.040 1.00 1.11 H new ATOM 0 HA PHE A 832 18.014 6.655 -12.880 1.00 35.44 H new ATOM 0 HB2 PHE A 832 16.958 8.858 -12.652 1.00 71.53 H new ATOM 0 HB3 PHE A 832 16.057 7.951 -13.850 1.00 71.53 H new ATOM 0 HD1 PHE A 832 13.869 6.905 -13.183 1.00 31.02 H new ATOM 0 HD2 PHE A 832 15.912 9.621 -10.672 1.00 14.20 H new ATOM 0 HE1 PHE A 832 11.763 7.298 -11.895 1.00 32.33 H new ATOM 0 HE2 PHE A 832 13.805 10.014 -9.383 1.00 24.01 H new ATOM 0 HZ PHE A 832 11.756 8.847 -10.009 1.00 62.52 H new ATOM 850 N PRO A 833 18.450 7.322 -10.484 1.00 22.14 N ATOM 851 CA PRO A 833 18.808 7.409 -9.078 1.00 35.31 C ATOM 852 C PRO A 833 17.995 8.496 -8.372 1.00 10.02 C ATOM 853 O PRO A 833 17.645 9.507 -8.978 1.00 42.25 O ATOM 854 CB PRO A 833 20.302 7.684 -9.068 1.00 64.42 C ATOM 855 CG PRO A 833 20.640 8.201 -10.457 1.00 62.41 C ATOM 856 CD PRO A 833 19.458 7.903 -11.365 1.00 43.14 C ATOM 0 HA PRO A 833 18.582 6.495 -8.529 1.00 35.31 H new ATOM 0 HB2 PRO A 833 20.559 8.419 -8.305 1.00 64.42 H new ATOM 0 HB3 PRO A 833 20.864 6.778 -8.841 1.00 64.42 H new ATOM 0 HG2 PRO A 833 20.838 9.272 -10.428 1.00 62.41 H new ATOM 0 HG3 PRO A 833 21.542 7.720 -10.834 1.00 62.41 H new ATOM 0 HD2 PRO A 833 19.089 8.810 -11.845 1.00 43.14 H new ATOM 0 HD3 PRO A 833 19.735 7.211 -12.161 1.00 43.14 H new ATOM 864 N SER A 834 17.718 8.251 -7.099 1.00 65.14 N ATOM 865 CA SER A 834 16.954 9.197 -6.304 1.00 71.51 C ATOM 866 C SER A 834 17.895 10.207 -5.645 1.00 32.24 C ATOM 867 O SER A 834 17.456 11.054 -4.868 1.00 23.21 O ATOM 868 CB SER A 834 16.120 8.476 -5.243 1.00 3.04 C ATOM 869 OG SER A 834 16.937 7.830 -4.270 1.00 64.11 O ATOM 0 H SER A 834 18.009 7.411 -6.599 1.00 65.14 H new ATOM 0 HA SER A 834 16.270 9.727 -6.966 1.00 71.51 H new ATOM 0 HB2 SER A 834 15.465 9.193 -4.748 1.00 3.04 H new ATOM 0 HB3 SER A 834 15.479 7.738 -5.725 1.00 3.04 H new ATOM 0 HG SER A 834 16.368 7.383 -3.610 1.00 64.11 H new ATOM 875 N ASN A 835 19.171 10.084 -5.978 1.00 61.23 N ATOM 876 CA ASN A 835 20.178 10.976 -5.428 1.00 72.42 C ATOM 877 C ASN A 835 20.427 12.123 -6.409 1.00 12.32 C ATOM 878 O ASN A 835 21.089 13.102 -6.069 1.00 5.22 O ATOM 879 CB ASN A 835 21.503 10.243 -5.211 1.00 63.15 C ATOM 880 CG ASN A 835 21.290 8.941 -4.437 1.00 72.32 C ATOM 881 OD1 ASN A 835 20.661 8.905 -3.393 1.00 13.35 O ATOM 882 ND2 ASN A 835 21.847 7.876 -5.006 1.00 23.40 N ATOM 0 H ASN A 835 19.531 9.380 -6.622 1.00 61.23 H new ATOM 0 HA ASN A 835 19.812 11.350 -4.472 1.00 72.42 H new ATOM 0 HB2 ASN A 835 21.964 10.026 -6.174 1.00 63.15 H new ATOM 0 HB3 ASN A 835 22.193 10.886 -4.665 1.00 63.15 H new ATOM 0 HD21 ASN A 835 21.760 6.959 -4.567 1.00 23.40 H new ATOM 0 HD22 ASN A 835 22.361 7.976 -5.882 1.00 23.40 H new ATOM 889 N TYR A 836 19.882 11.965 -7.606 1.00 62.11 N ATOM 890 CA TYR A 836 20.037 12.976 -8.638 1.00 71.24 C ATOM 891 C TYR A 836 18.719 13.713 -8.886 1.00 3.02 C ATOM 892 O TYR A 836 18.682 14.694 -9.627 1.00 63.11 O ATOM 893 CB TYR A 836 20.433 12.223 -9.910 1.00 73.30 C ATOM 894 CG TYR A 836 21.928 11.915 -10.011 1.00 40.32 C ATOM 895 CD1 TYR A 836 22.538 11.131 -9.053 1.00 74.13 C ATOM 896 CD2 TYR A 836 22.667 12.422 -11.061 1.00 4.45 C ATOM 897 CE1 TYR A 836 23.945 10.842 -9.148 1.00 60.55 C ATOM 898 CE2 TYR A 836 24.075 12.133 -11.156 1.00 12.12 C ATOM 899 CZ TYR A 836 24.644 11.357 -10.195 1.00 62.10 C ATOM 900 OH TYR A 836 25.973 11.084 -10.285 1.00 24.30 O ATOM 0 H TYR A 836 19.332 11.152 -7.884 1.00 62.11 H new ATOM 0 HA TYR A 836 20.780 13.716 -8.341 1.00 71.24 H new ATOM 0 HB2 TYR A 836 19.876 11.287 -9.954 1.00 73.30 H new ATOM 0 HB3 TYR A 836 20.135 12.813 -10.777 1.00 73.30 H new ATOM 0 HD1 TYR A 836 21.960 10.734 -8.232 1.00 74.13 H new ATOM 0 HD2 TYR A 836 22.190 13.035 -11.811 1.00 4.45 H new ATOM 0 HE1 TYR A 836 24.434 10.230 -8.405 1.00 60.55 H new ATOM 0 HE2 TYR A 836 24.665 12.524 -11.972 1.00 12.12 H new ATOM 0 HH TYR A 836 26.342 11.516 -11.083 1.00 24.30 H new ATOM 910 N VAL A 837 17.670 13.212 -8.251 1.00 12.43 N ATOM 911 CA VAL A 837 16.353 13.811 -8.393 1.00 5.34 C ATOM 912 C VAL A 837 15.869 14.298 -7.025 1.00 63.02 C ATOM 913 O VAL A 837 16.547 14.103 -6.017 1.00 72.23 O ATOM 914 CB VAL A 837 15.393 12.816 -9.047 1.00 64.21 C ATOM 915 CG1 VAL A 837 15.815 12.513 -10.486 1.00 63.42 C ATOM 916 CG2 VAL A 837 15.291 11.531 -8.223 1.00 74.33 C ATOM 0 H VAL A 837 17.705 12.398 -7.637 1.00 12.43 H new ATOM 0 HA VAL A 837 16.397 14.679 -9.051 1.00 5.34 H new ATOM 0 HB VAL A 837 14.404 13.274 -9.077 1.00 64.21 H new ATOM 0 HG11 VAL A 837 15.116 11.803 -10.928 1.00 63.42 H new ATOM 0 HG12 VAL A 837 15.813 13.435 -11.068 1.00 63.42 H new ATOM 0 HG13 VAL A 837 16.817 12.085 -10.489 1.00 63.42 H new ATOM 0 HG21 VAL A 837 14.602 10.840 -8.710 1.00 74.33 H new ATOM 0 HG22 VAL A 837 16.275 11.069 -8.147 1.00 74.33 H new ATOM 0 HG23 VAL A 837 14.923 11.767 -7.225 1.00 74.33 H new ATOM 926 N GLU A 838 14.701 14.922 -7.035 1.00 13.23 N ATOM 927 CA GLU A 838 14.118 15.438 -5.808 1.00 0.33 C ATOM 928 C GLU A 838 12.591 15.364 -5.873 1.00 22.11 C ATOM 929 O GLU A 838 11.981 15.879 -6.808 1.00 75.44 O ATOM 930 CB GLU A 838 14.586 16.870 -5.538 1.00 61.32 C ATOM 931 CG GLU A 838 16.109 16.932 -5.400 1.00 34.21 C ATOM 932 CD GLU A 838 16.555 18.291 -4.857 1.00 51.03 C ATOM 933 OE1 GLU A 838 17.635 18.395 -4.257 1.00 62.34 O ATOM 934 OE2 GLU A 838 15.735 19.262 -5.079 1.00 1.25 O ATOM 0 H GLU A 838 14.142 15.082 -7.873 1.00 13.23 H new ATOM 0 HA GLU A 838 14.458 14.817 -4.979 1.00 0.33 H new ATOM 0 HB2 GLU A 838 14.264 17.521 -6.351 1.00 61.32 H new ATOM 0 HB3 GLU A 838 14.119 17.243 -4.627 1.00 61.32 H new ATOM 0 HG2 GLU A 838 16.450 16.140 -4.733 1.00 34.21 H new ATOM 0 HG3 GLU A 838 16.573 16.754 -6.370 1.00 34.21 H new ATOM 942 N GLU A 839 12.019 14.719 -4.867 1.00 55.21 N ATOM 943 CA GLU A 839 10.575 14.571 -4.798 1.00 73.24 C ATOM 944 C GLU A 839 10.030 15.254 -3.543 1.00 11.43 C ATOM 945 O GLU A 839 10.794 15.795 -2.745 1.00 2.01 O ATOM 946 CB GLU A 839 10.173 13.095 -4.838 1.00 13.15 C ATOM 947 CG GLU A 839 11.251 12.216 -4.201 1.00 10.02 C ATOM 948 CD GLU A 839 11.321 12.443 -2.689 1.00 63.23 C ATOM 949 OE1 GLU A 839 12.414 12.395 -2.105 1.00 62.05 O ATOM 950 OE2 GLU A 839 10.188 12.677 -2.120 1.00 32.02 O ATOM 0 H GLU A 839 12.529 14.293 -4.093 1.00 55.21 H new ATOM 0 HA GLU A 839 10.138 15.057 -5.670 1.00 73.24 H new ATOM 0 HB2 GLU A 839 9.228 12.957 -4.312 1.00 13.15 H new ATOM 0 HB3 GLU A 839 10.010 12.786 -5.871 1.00 13.15 H new ATOM 0 HG2 GLU A 839 11.037 11.167 -4.405 1.00 10.02 H new ATOM 0 HG3 GLU A 839 12.219 12.438 -4.651 1.00 10.02 H new ATOM 958 N ASP A 840 8.713 15.208 -3.407 1.00 11.14 N ATOM 959 CA ASP A 840 8.057 15.816 -2.261 1.00 50.24 C ATOM 960 C ASP A 840 8.659 17.200 -2.010 1.00 52.21 C ATOM 961 O ASP A 840 8.875 17.588 -0.863 1.00 14.20 O ATOM 962 CB ASP A 840 8.261 14.976 -0.999 1.00 71.34 C ATOM 963 CG ASP A 840 7.470 15.444 0.224 1.00 61.41 C ATOM 964 OD1 ASP A 840 7.993 15.476 1.348 1.00 55.10 O ATOM 965 OD2 ASP A 840 6.250 15.789 -0.015 1.00 4.30 O ATOM 0 H ASP A 840 8.082 14.759 -4.071 1.00 11.14 H new ATOM 0 HA ASP A 840 6.991 15.884 -2.480 1.00 50.24 H new ATOM 0 HB2 ASP A 840 7.985 13.945 -1.219 1.00 71.34 H new ATOM 0 HB3 ASP A 840 9.322 14.976 -0.749 1.00 71.34 H new ATOM 971 N TYR A 841 8.913 17.907 -3.102 1.00 32.04 N ATOM 972 CA TYR A 841 9.486 19.240 -3.014 1.00 35.50 C ATOM 973 C TYR A 841 8.396 20.311 -3.089 1.00 73.23 C ATOM 974 O TYR A 841 8.464 21.321 -2.391 1.00 33.23 O ATOM 975 CB TYR A 841 10.409 19.382 -4.226 1.00 12.25 C ATOM 976 CG TYR A 841 9.737 19.059 -5.561 1.00 72.24 C ATOM 977 CD1 TYR A 841 8.950 20.006 -6.185 1.00 72.40 C ATOM 978 CD2 TYR A 841 9.918 17.820 -6.143 1.00 52.30 C ATOM 979 CE1 TYR A 841 8.317 19.701 -7.442 1.00 43.24 C ATOM 980 CE2 TYR A 841 9.285 17.516 -7.400 1.00 63.14 C ATOM 981 CZ TYR A 841 8.516 18.471 -7.988 1.00 3.40 C ATOM 982 OH TYR A 841 7.919 18.184 -9.175 1.00 71.05 O ATOM 0 H TYR A 841 8.733 17.582 -4.052 1.00 32.04 H new ATOM 0 HA TYR A 841 10.014 19.370 -2.069 1.00 35.50 H new ATOM 0 HB2 TYR A 841 10.791 20.402 -4.261 1.00 12.25 H new ATOM 0 HB3 TYR A 841 11.268 18.724 -4.095 1.00 12.25 H new ATOM 0 HD1 TYR A 841 8.809 20.976 -5.731 1.00 72.40 H new ATOM 0 HD2 TYR A 841 10.534 17.079 -5.655 1.00 52.30 H new ATOM 0 HE1 TYR A 841 7.698 20.433 -7.940 1.00 43.24 H new ATOM 0 HE2 TYR A 841 9.418 16.551 -7.866 1.00 63.14 H new ATOM 0 HH TYR A 841 7.821 19.006 -9.699 1.00 71.05 H new