USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=9 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 180:sc= 0 USER MOD Set 1.2: A 841 TYR OH : rot 15:sc= -0.952 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 40:sc= -0.0715 USER MOD Single : A 799 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.0807 K(o=-0.081,f=-2.6!) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 127:sc= 1.04 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc=-0.000184 X(o=-0.00018,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.443 12.127 -6.055 1.00 43.02 N ATOM 64 CA GLY A 785 4.207 13.310 -6.866 1.00 33.44 C ATOM 65 C GLY A 785 5.102 13.312 -8.106 1.00 50.34 C ATOM 66 O GLY A 785 4.705 12.826 -9.164 1.00 32.41 O ATOM 0 HA2 GLY A 785 3.160 13.345 -7.169 1.00 33.44 H new ATOM 0 HA3 GLY A 785 4.398 14.205 -6.274 1.00 33.44 H new ATOM 70 N THR A 786 6.294 13.866 -7.936 1.00 34.22 N ATOM 71 CA THR A 786 7.248 13.938 -9.029 1.00 5.24 C ATOM 72 C THR A 786 8.665 14.141 -8.487 1.00 32.24 C ATOM 73 O THR A 786 8.862 14.243 -7.277 1.00 14.02 O ATOM 74 CB THR A 786 6.797 15.049 -9.978 1.00 54.25 C ATOM 75 OG1 THR A 786 6.321 16.075 -9.111 1.00 40.14 O ATOM 76 CG2 THR A 786 5.567 14.654 -10.798 1.00 54.43 C ATOM 0 H THR A 786 6.620 14.269 -7.058 1.00 34.22 H new ATOM 0 HA THR A 786 7.278 13.004 -9.590 1.00 5.24 H new ATOM 0 HB THR A 786 7.615 15.306 -10.651 1.00 54.25 H new ATOM 0 HG1 THR A 786 6.010 16.836 -9.645 1.00 40.14 H new ATOM 0 HG21 THR A 786 5.288 15.478 -11.455 1.00 54.43 H new ATOM 0 HG22 THR A 786 5.797 13.773 -11.397 1.00 54.43 H new ATOM 0 HG23 THR A 786 4.739 14.430 -10.126 1.00 54.43 H new ATOM 84 N ALA A 787 9.615 14.193 -9.409 1.00 31.24 N ATOM 85 CA ALA A 787 11.007 14.381 -9.038 1.00 43.45 C ATOM 86 C ALA A 787 11.688 15.282 -10.072 1.00 33.43 C ATOM 87 O ALA A 787 11.874 14.883 -11.220 1.00 42.34 O ATOM 88 CB ALA A 787 11.691 13.019 -8.912 1.00 62.41 C ATOM 0 H ALA A 787 9.448 14.108 -10.412 1.00 31.24 H new ATOM 0 HA ALA A 787 11.083 14.874 -8.069 1.00 43.45 H new ATOM 0 HB1 ALA A 787 12.735 13.161 -8.634 1.00 62.41 H new ATOM 0 HB2 ALA A 787 11.188 12.429 -8.146 1.00 62.41 H new ATOM 0 HB3 ALA A 787 11.638 12.495 -9.867 1.00 62.41 H new ATOM 94 N LYS A 788 12.040 16.479 -9.626 1.00 30.50 N ATOM 95 CA LYS A 788 12.696 17.439 -10.498 1.00 33.53 C ATOM 96 C LYS A 788 14.178 17.080 -10.621 1.00 31.41 C ATOM 97 O LYS A 788 14.905 17.078 -9.628 1.00 55.34 O ATOM 98 CB LYS A 788 12.447 18.866 -10.006 1.00 24.24 C ATOM 99 CG LYS A 788 12.352 19.842 -11.180 1.00 74.21 C ATOM 100 CD LYS A 788 11.660 21.140 -10.759 1.00 71.02 C ATOM 101 CE LYS A 788 12.240 22.339 -11.512 1.00 11.22 C ATOM 102 NZ LYS A 788 11.449 23.558 -11.233 1.00 13.45 N ATOM 0 H LYS A 788 11.883 16.806 -8.673 1.00 30.50 H new ATOM 0 HA LYS A 788 12.273 17.394 -11.502 1.00 33.53 H new ATOM 0 HB2 LYS A 788 11.525 18.899 -9.426 1.00 24.24 H new ATOM 0 HB3 LYS A 788 13.254 19.171 -9.340 1.00 24.24 H new ATOM 0 HG2 LYS A 788 13.351 20.063 -11.555 1.00 74.21 H new ATOM 0 HG3 LYS A 788 11.799 19.380 -11.998 1.00 74.21 H new ATOM 0 HD2 LYS A 788 10.590 21.066 -10.954 1.00 71.02 H new ATOM 0 HD3 LYS A 788 11.778 21.288 -9.686 1.00 71.02 H new ATOM 0 HE2 LYS A 788 13.277 22.495 -11.215 1.00 11.22 H new ATOM 0 HE3 LYS A 788 12.242 22.137 -12.583 1.00 11.22 H new ATOM 0 HZ1 LYS A 788 11.856 24.362 -11.752 1.00 13.45 H new ATOM 0 HZ2 LYS A 788 10.466 23.411 -11.538 1.00 13.45 H new ATOM 0 HZ3 LYS A 788 11.469 23.759 -10.213 1.00 13.45 H new ATOM 115 N ALA A 789 14.582 16.784 -11.847 1.00 63.14 N ATOM 116 CA ALA A 789 15.965 16.424 -12.113 1.00 53.13 C ATOM 117 C ALA A 789 16.874 17.594 -11.732 1.00 20.00 C ATOM 118 O ALA A 789 16.546 18.750 -11.993 1.00 11.43 O ATOM 119 CB ALA A 789 16.115 16.024 -13.582 1.00 72.23 C ATOM 0 H ALA A 789 13.976 16.786 -12.668 1.00 63.14 H new ATOM 0 HA ALA A 789 16.261 15.566 -11.510 1.00 53.13 H new ATOM 0 HB1 ALA A 789 17.152 15.754 -13.782 1.00 72.23 H new ATOM 0 HB2 ALA A 789 15.471 15.171 -13.794 1.00 72.23 H new ATOM 0 HB3 ALA A 789 15.829 16.862 -14.218 1.00 72.23 H new ATOM 125 N ARG A 790 17.999 17.253 -11.121 1.00 31.32 N ATOM 126 CA ARG A 790 18.958 18.260 -10.701 1.00 10.40 C ATOM 127 C ARG A 790 20.294 18.053 -11.418 1.00 55.52 C ATOM 128 O ARG A 790 21.226 18.835 -11.238 1.00 64.31 O ATOM 129 CB ARG A 790 19.185 18.208 -9.189 1.00 4.11 C ATOM 130 CG ARG A 790 18.048 18.905 -8.439 1.00 23.20 C ATOM 131 CD ARG A 790 18.259 20.420 -8.408 1.00 23.10 C ATOM 132 NE ARG A 790 19.578 20.735 -7.815 1.00 1.22 N ATOM 133 CZ ARG A 790 19.808 20.828 -6.488 1.00 25.32 C ATOM 134 NH1 ARG A 790 18.808 20.629 -5.603 1.00 41.42 N ATOM 135 NH2 ARG A 790 21.027 21.115 -6.068 1.00 54.12 N ATOM 0 H ARG A 790 18.268 16.293 -10.907 1.00 31.32 H new ATOM 0 HA ARG A 790 18.549 19.236 -10.962 1.00 10.40 H new ATOM 0 HB2 ARG A 790 19.257 17.170 -8.864 1.00 4.11 H new ATOM 0 HB3 ARG A 790 20.134 18.685 -8.944 1.00 4.11 H new ATOM 0 HG2 ARG A 790 17.097 18.677 -8.920 1.00 23.20 H new ATOM 0 HG3 ARG A 790 17.991 18.521 -7.420 1.00 23.20 H new ATOM 0 HD2 ARG A 790 18.199 20.825 -9.418 1.00 23.10 H new ATOM 0 HD3 ARG A 790 17.467 20.894 -7.828 1.00 23.10 H new ATOM 0 HE ARG A 790 20.362 20.892 -8.448 1.00 1.22 H new ATOM 0 HH11 ARG A 790 17.870 20.406 -5.935 1.00 41.42 H new ATOM 0 HH12 ARG A 790 18.991 20.701 -4.602 1.00 41.42 H new ATOM 0 HH21 ARG A 790 21.777 21.263 -6.743 1.00 54.12 H new ATOM 0 HH22 ARG A 790 21.218 21.189 -5.069 1.00 54.12 H new ATOM 148 N TYR A 791 20.343 16.997 -12.216 1.00 72.02 N ATOM 149 CA TYR A 791 21.549 16.678 -12.961 1.00 73.53 C ATOM 150 C TYR A 791 21.207 16.107 -14.339 1.00 71.02 C ATOM 151 O TYR A 791 20.406 15.180 -14.450 1.00 30.01 O ATOM 152 CB TYR A 791 22.277 15.607 -12.146 1.00 2.42 C ATOM 153 CG TYR A 791 22.492 15.982 -10.678 1.00 51.32 C ATOM 154 CD1 TYR A 791 21.441 15.911 -9.787 1.00 13.12 C ATOM 155 CD2 TYR A 791 23.737 16.392 -10.246 1.00 31.25 C ATOM 156 CE1 TYR A 791 21.643 16.264 -8.405 1.00 52.15 C ATOM 157 CE2 TYR A 791 23.939 16.745 -8.864 1.00 60.31 C ATOM 158 CZ TYR A 791 22.882 16.663 -8.012 1.00 50.53 C ATOM 159 OH TYR A 791 23.073 16.997 -6.708 1.00 31.23 O ATOM 0 H TYR A 791 19.567 16.351 -12.363 1.00 72.02 H new ATOM 0 HA TYR A 791 22.154 17.572 -13.113 1.00 73.53 H new ATOM 0 HB2 TYR A 791 21.707 14.679 -12.194 1.00 2.42 H new ATOM 0 HB3 TYR A 791 23.246 15.411 -12.606 1.00 2.42 H new ATOM 0 HD1 TYR A 791 20.467 15.591 -10.126 1.00 13.12 H new ATOM 0 HD2 TYR A 791 24.559 16.448 -10.944 1.00 31.25 H new ATOM 0 HE1 TYR A 791 20.829 16.213 -7.697 1.00 52.15 H new ATOM 0 HE2 TYR A 791 24.908 17.067 -8.512 1.00 60.31 H new ATOM 0 HH TYR A 791 24.007 17.262 -6.571 1.00 31.23 H new ATOM 169 N ASP A 792 21.831 16.685 -15.355 1.00 61.30 N ATOM 170 CA ASP A 792 21.603 16.245 -16.721 1.00 41.42 C ATOM 171 C ASP A 792 22.113 14.812 -16.883 1.00 41.12 C ATOM 172 O ASP A 792 23.303 14.594 -17.108 1.00 12.45 O ATOM 173 CB ASP A 792 22.355 17.130 -17.717 1.00 42.31 C ATOM 174 CG ASP A 792 21.619 18.405 -18.133 1.00 42.43 C ATOM 175 OD1 ASP A 792 20.446 18.364 -18.533 1.00 42.22 O ATOM 176 OD2 ASP A 792 22.309 19.491 -18.033 1.00 24.30 O ATOM 0 H ASP A 792 22.494 17.454 -15.260 1.00 61.30 H new ATOM 0 HA ASP A 792 20.533 16.306 -16.921 1.00 41.42 H new ATOM 0 HB2 ASP A 792 23.314 17.408 -17.281 1.00 42.31 H new ATOM 0 HB3 ASP A 792 22.569 16.544 -18.611 1.00 42.31 H new ATOM 182 N PHE A 793 21.188 13.872 -16.763 1.00 73.53 N ATOM 183 CA PHE A 793 21.529 12.465 -16.894 1.00 12.13 C ATOM 184 C PHE A 793 21.572 12.045 -18.364 1.00 55.34 C ATOM 185 O PHE A 793 21.246 12.835 -19.249 1.00 14.41 O ATOM 186 CB PHE A 793 20.433 11.671 -16.181 1.00 15.14 C ATOM 187 CG PHE A 793 20.913 10.348 -15.581 1.00 74.20 C ATOM 188 CD1 PHE A 793 22.100 10.292 -14.920 1.00 61.45 C ATOM 189 CD2 PHE A 793 20.152 9.228 -15.709 1.00 32.33 C ATOM 190 CE1 PHE A 793 22.546 9.064 -14.364 1.00 74.51 C ATOM 191 CE2 PHE A 793 20.597 8.000 -15.152 1.00 64.54 C ATOM 192 CZ PHE A 793 21.785 7.943 -14.492 1.00 11.42 C ATOM 0 H PHE A 793 20.202 14.056 -16.576 1.00 73.53 H new ATOM 0 HA PHE A 793 22.513 12.279 -16.462 1.00 12.13 H new ATOM 0 HB2 PHE A 793 20.011 12.287 -15.386 1.00 15.14 H new ATOM 0 HB3 PHE A 793 19.628 11.467 -16.887 1.00 15.14 H new ATOM 0 HD1 PHE A 793 22.704 11.182 -14.818 1.00 61.45 H new ATOM 0 HD2 PHE A 793 19.209 9.273 -16.234 1.00 32.33 H new ATOM 0 HE1 PHE A 793 23.489 9.020 -13.840 1.00 74.51 H new ATOM 0 HE2 PHE A 793 19.992 7.111 -15.252 1.00 64.54 H new ATOM 0 HZ PHE A 793 22.124 7.009 -14.070 1.00 11.42 H new ATOM 202 N CYS A 794 21.976 10.802 -18.580 1.00 43.33 N ATOM 203 CA CYS A 794 22.066 10.268 -19.929 1.00 12.04 C ATOM 204 C CYS A 794 21.868 8.753 -19.859 1.00 31.52 C ATOM 205 O CYS A 794 22.763 8.025 -19.431 1.00 14.25 O ATOM 206 CB CYS A 794 23.390 10.640 -20.598 1.00 4.43 C ATOM 207 SG CYS A 794 24.779 10.352 -19.441 1.00 13.42 S ATOM 0 H CYS A 794 22.245 10.149 -17.844 1.00 43.33 H new ATOM 0 HA CYS A 794 21.285 10.708 -20.550 1.00 12.04 H new ATOM 0 HB2 CYS A 794 23.530 10.047 -21.502 1.00 4.43 H new ATOM 0 HB3 CYS A 794 23.371 11.686 -20.903 1.00 4.43 H new ATOM 0 HG CYS A 794 24.576 9.248 -18.785 1.00 13.42 H new ATOM 213 N ALA A 795 20.690 8.321 -20.286 1.00 44.34 N ATOM 214 CA ALA A 795 20.364 6.906 -20.278 1.00 34.52 C ATOM 215 C ALA A 795 21.207 6.185 -21.332 1.00 3.53 C ATOM 216 O ALA A 795 21.310 6.643 -22.469 1.00 1.44 O ATOM 217 CB ALA A 795 18.862 6.727 -20.511 1.00 22.50 C ATOM 0 H ALA A 795 19.950 8.927 -20.640 1.00 44.34 H new ATOM 0 HA ALA A 795 20.600 6.464 -19.310 1.00 34.52 H new ATOM 0 HB1 ALA A 795 18.617 5.665 -20.505 1.00 22.50 H new ATOM 0 HB2 ALA A 795 18.308 7.232 -19.719 1.00 22.50 H new ATOM 0 HB3 ALA A 795 18.590 7.157 -21.475 1.00 22.50 H new ATOM 223 N ARG A 796 21.790 5.070 -20.916 1.00 53.24 N ATOM 224 CA ARG A 796 22.621 4.282 -21.810 1.00 41.44 C ATOM 225 C ARG A 796 21.863 3.041 -22.285 1.00 13.14 C ATOM 226 O ARG A 796 22.235 2.426 -23.283 1.00 35.34 O ATOM 227 CB ARG A 796 23.915 3.848 -21.119 1.00 61.13 C ATOM 228 CG ARG A 796 23.656 2.697 -20.145 1.00 4.24 C ATOM 229 CD ARG A 796 23.872 1.344 -20.825 1.00 32.33 C ATOM 230 NE ARG A 796 25.275 0.908 -20.651 1.00 64.21 N ATOM 231 CZ ARG A 796 25.822 -0.152 -21.283 1.00 65.14 C ATOM 232 NH1 ARG A 796 25.087 -0.895 -22.138 1.00 10.31 N ATOM 233 NH2 ARG A 796 27.087 -0.452 -21.053 1.00 43.34 N ATOM 0 H ARG A 796 21.703 4.694 -19.972 1.00 53.24 H new ATOM 0 HA ARG A 796 22.872 4.908 -22.667 1.00 41.44 H new ATOM 0 HB2 ARG A 796 24.645 3.539 -21.867 1.00 61.13 H new ATOM 0 HB3 ARG A 796 24.346 4.693 -20.583 1.00 61.13 H new ATOM 0 HG2 ARG A 796 24.321 2.786 -19.286 1.00 4.24 H new ATOM 0 HG3 ARG A 796 22.636 2.759 -19.766 1.00 4.24 H new ATOM 0 HD2 ARG A 796 23.197 0.602 -20.399 1.00 32.33 H new ATOM 0 HD3 ARG A 796 23.635 1.419 -21.886 1.00 32.33 H new ATOM 0 HE ARG A 796 25.866 1.442 -20.014 1.00 64.21 H new ATOM 0 HH11 ARG A 796 24.110 -0.657 -22.311 1.00 10.31 H new ATOM 0 HH12 ARG A 796 25.509 -1.694 -22.611 1.00 10.31 H new ATOM 0 HH21 ARG A 796 27.636 0.114 -20.406 1.00 43.34 H new ATOM 0 HH22 ARG A 796 27.515 -1.250 -21.522 1.00 43.34 H new ATOM 246 N ASP A 797 20.813 2.710 -21.547 1.00 3.24 N ATOM 247 CA ASP A 797 19.999 1.553 -21.879 1.00 43.32 C ATOM 248 C ASP A 797 18.537 1.849 -21.538 1.00 64.31 C ATOM 249 O ASP A 797 18.229 2.891 -20.962 1.00 50.14 O ATOM 250 CB ASP A 797 20.433 0.325 -21.076 1.00 43.44 C ATOM 251 CG ASP A 797 21.508 -0.536 -21.743 1.00 34.41 C ATOM 252 OD1 ASP A 797 21.787 -0.394 -22.942 1.00 44.35 O ATOM 253 OD2 ASP A 797 22.076 -1.396 -20.967 1.00 32.11 O ATOM 0 H ASP A 797 20.507 3.223 -20.720 1.00 3.24 H new ATOM 0 HA ASP A 797 20.121 1.349 -22.943 1.00 43.32 H new ATOM 0 HB2 ASP A 797 20.804 0.656 -20.106 1.00 43.44 H new ATOM 0 HB3 ASP A 797 19.557 -0.296 -20.887 1.00 43.44 H new ATOM 259 N ARG A 798 17.676 0.912 -21.908 1.00 10.43 N ATOM 260 CA ARG A 798 16.254 1.059 -21.648 1.00 51.31 C ATOM 261 C ARG A 798 15.965 0.879 -20.156 1.00 43.24 C ATOM 262 O ARG A 798 14.880 1.216 -19.685 1.00 71.35 O ATOM 263 CB ARG A 798 15.440 0.038 -22.445 1.00 22.41 C ATOM 264 CG ARG A 798 15.673 0.203 -23.948 1.00 3.10 C ATOM 265 CD ARG A 798 14.930 -0.874 -24.740 1.00 75.11 C ATOM 266 NE ARG A 798 13.468 -0.677 -24.614 1.00 42.41 N ATOM 267 CZ ARG A 798 12.550 -1.325 -25.362 1.00 13.53 C ATOM 268 NH1 ARG A 798 12.935 -2.219 -26.297 1.00 14.21 N ATOM 269 NH2 ARG A 798 11.269 -1.070 -25.165 1.00 24.44 N ATOM 0 H ARG A 798 17.936 0.049 -22.385 1.00 10.43 H new ATOM 0 HA ARG A 798 15.962 2.062 -21.959 1.00 51.31 H new ATOM 0 HB2 ARG A 798 15.716 -0.971 -22.139 1.00 22.41 H new ATOM 0 HB3 ARG A 798 14.380 0.159 -22.222 1.00 22.41 H new ATOM 0 HG2 ARG A 798 15.336 1.190 -24.265 1.00 3.10 H new ATOM 0 HG3 ARG A 798 16.740 0.146 -24.163 1.00 3.10 H new ATOM 0 HD2 ARG A 798 15.222 -0.832 -25.789 1.00 75.11 H new ATOM 0 HD3 ARG A 798 15.205 -1.862 -24.372 1.00 75.11 H new ATOM 0 HE ARG A 798 13.134 -0.010 -23.919 1.00 42.41 H new ATOM 0 HH11 ARG A 798 13.926 -2.410 -26.443 1.00 14.21 H new ATOM 0 HH12 ARG A 798 12.235 -2.704 -26.858 1.00 14.21 H new ATOM 0 HH21 ARG A 798 10.987 -0.393 -24.457 1.00 24.44 H new ATOM 0 HH22 ARG A 798 10.562 -1.551 -25.721 1.00 24.44 H new ATOM 282 N SER A 799 16.956 0.349 -19.454 1.00 71.14 N ATOM 283 CA SER A 799 16.822 0.120 -18.026 1.00 11.23 C ATOM 284 C SER A 799 17.151 1.402 -17.257 1.00 65.44 C ATOM 285 O SER A 799 17.242 1.388 -16.031 1.00 10.42 O ATOM 286 CB SER A 799 17.727 -1.023 -17.564 1.00 24.32 C ATOM 287 OG SER A 799 18.990 -1.004 -18.223 1.00 44.04 O ATOM 0 H SER A 799 17.855 0.072 -19.848 1.00 71.14 H new ATOM 0 HA SER A 799 15.790 -0.164 -17.821 1.00 11.23 H new ATOM 0 HB2 SER A 799 17.879 -0.952 -16.487 1.00 24.32 H new ATOM 0 HB3 SER A 799 17.233 -1.976 -17.754 1.00 24.32 H new ATOM 0 HG SER A 799 19.539 -1.748 -17.899 1.00 44.04 H new ATOM 293 N GLU A 800 17.322 2.478 -18.011 1.00 31.01 N ATOM 294 CA GLU A 800 17.639 3.765 -17.416 1.00 44.22 C ATOM 295 C GLU A 800 16.686 4.841 -17.939 1.00 50.34 C ATOM 296 O GLU A 800 16.318 4.833 -19.113 1.00 64.53 O ATOM 297 CB GLU A 800 19.097 4.148 -17.682 1.00 73.53 C ATOM 298 CG GLU A 800 19.434 5.499 -17.049 1.00 35.24 C ATOM 299 CD GLU A 800 20.948 5.695 -16.948 1.00 54.13 C ATOM 300 OE1 GLU A 800 21.455 6.780 -17.270 1.00 72.24 O ATOM 301 OE2 GLU A 800 21.603 4.671 -16.516 1.00 53.24 O ATOM 0 H GLU A 800 17.247 2.485 -19.028 1.00 31.01 H new ATOM 0 HA GLU A 800 17.509 3.686 -16.337 1.00 44.22 H new ATOM 0 HB2 GLU A 800 19.757 3.380 -17.280 1.00 73.53 H new ATOM 0 HB3 GLU A 800 19.275 4.191 -18.757 1.00 73.53 H new ATOM 0 HG2 GLU A 800 18.999 6.302 -17.644 1.00 35.24 H new ATOM 0 HG3 GLU A 800 18.989 5.561 -16.056 1.00 35.24 H new ATOM 309 N LEU A 801 16.313 5.743 -17.043 1.00 34.41 N ATOM 310 CA LEU A 801 15.409 6.823 -17.400 1.00 0.25 C ATOM 311 C LEU A 801 16.224 8.033 -17.861 1.00 64.31 C ATOM 312 O LEU A 801 17.258 8.349 -17.275 1.00 2.35 O ATOM 313 CB LEU A 801 14.456 7.129 -16.242 1.00 5.10 C ATOM 314 CG LEU A 801 13.045 7.570 -16.634 1.00 35.43 C ATOM 315 CD1 LEU A 801 12.225 7.947 -15.398 1.00 22.41 C ATOM 316 CD2 LEU A 801 13.089 8.704 -17.660 1.00 31.51 C ATOM 0 H LEU A 801 16.620 5.748 -16.070 1.00 34.41 H new ATOM 0 HA LEU A 801 14.774 6.528 -18.236 1.00 0.25 H new ATOM 0 HB2 LEU A 801 14.377 6.239 -15.618 1.00 5.10 H new ATOM 0 HB3 LEU A 801 14.902 7.911 -15.627 1.00 5.10 H new ATOM 0 HG LEU A 801 12.544 6.726 -17.108 1.00 35.43 H new ATOM 0 HD11 LEU A 801 11.226 8.257 -15.705 1.00 22.41 H new ATOM 0 HD12 LEU A 801 12.150 7.085 -14.734 1.00 22.41 H new ATOM 0 HD13 LEU A 801 12.714 8.768 -14.873 1.00 22.41 H new ATOM 0 HD21 LEU A 801 12.072 8.998 -17.921 1.00 31.51 H new ATOM 0 HD22 LEU A 801 13.616 9.558 -17.236 1.00 31.51 H new ATOM 0 HD23 LEU A 801 13.610 8.365 -18.555 1.00 31.51 H new ATOM 328 N SER A 802 15.729 8.676 -18.908 1.00 35.11 N ATOM 329 CA SER A 802 16.398 9.844 -19.455 1.00 22.31 C ATOM 330 C SER A 802 16.053 11.082 -18.625 1.00 34.31 C ATOM 331 O SER A 802 14.946 11.610 -18.723 1.00 3.30 O ATOM 332 CB SER A 802 16.015 10.063 -20.920 1.00 33.33 C ATOM 333 OG SER A 802 17.076 10.650 -21.667 1.00 42.33 O ATOM 0 H SER A 802 14.872 8.410 -19.392 1.00 35.11 H new ATOM 0 HA SER A 802 17.474 9.673 -19.411 1.00 22.31 H new ATOM 0 HB2 SER A 802 15.740 9.109 -21.369 1.00 33.33 H new ATOM 0 HB3 SER A 802 15.136 10.705 -20.973 1.00 33.33 H new ATOM 0 HG SER A 802 16.793 10.772 -22.597 1.00 42.33 H new ATOM 339 N LEU A 803 17.020 11.508 -17.826 1.00 51.23 N ATOM 340 CA LEU A 803 16.832 12.674 -16.980 1.00 0.13 C ATOM 341 C LEU A 803 17.491 13.888 -17.638 1.00 14.33 C ATOM 342 O LEU A 803 18.427 13.742 -18.422 1.00 51.00 O ATOM 343 CB LEU A 803 17.336 12.394 -15.562 1.00 72.04 C ATOM 344 CG LEU A 803 16.275 11.966 -14.546 1.00 2.20 C ATOM 345 CD1 LEU A 803 15.165 11.158 -15.220 1.00 33.23 C ATOM 346 CD2 LEU A 803 16.909 11.207 -13.379 1.00 2.14 C ATOM 0 H LEU A 803 17.936 11.067 -17.747 1.00 51.23 H new ATOM 0 HA LEU A 803 15.771 12.903 -16.877 1.00 0.13 H new ATOM 0 HB2 LEU A 803 18.096 11.614 -15.615 1.00 72.04 H new ATOM 0 HB3 LEU A 803 17.827 13.292 -15.188 1.00 72.04 H new ATOM 0 HG LEU A 803 15.814 12.864 -14.134 1.00 2.20 H new ATOM 0 HD11 LEU A 803 14.424 10.866 -14.476 1.00 33.23 H new ATOM 0 HD12 LEU A 803 14.688 11.766 -15.988 1.00 33.23 H new ATOM 0 HD13 LEU A 803 15.591 10.265 -15.677 1.00 33.23 H new ATOM 0 HD21 LEU A 803 16.133 10.914 -12.671 1.00 2.14 H new ATOM 0 HD22 LEU A 803 17.412 10.316 -13.755 1.00 2.14 H new ATOM 0 HD23 LEU A 803 17.634 11.849 -12.878 1.00 2.14 H new ATOM 358 N LYS A 804 16.975 15.060 -17.294 1.00 64.52 N ATOM 359 CA LYS A 804 17.502 16.298 -17.842 1.00 12.32 C ATOM 360 C LYS A 804 17.150 17.455 -16.905 1.00 12.34 C ATOM 361 O LYS A 804 15.976 17.774 -16.719 1.00 62.42 O ATOM 362 CB LYS A 804 17.013 16.500 -19.278 1.00 24.53 C ATOM 363 CG LYS A 804 17.948 17.434 -20.049 1.00 14.54 C ATOM 364 CD LYS A 804 19.045 16.645 -20.765 1.00 74.34 C ATOM 365 CE LYS A 804 19.749 17.511 -21.811 1.00 63.24 C ATOM 366 NZ LYS A 804 18.989 17.511 -23.081 1.00 62.14 N ATOM 0 H LYS A 804 16.198 15.178 -16.643 1.00 64.52 H new ATOM 0 HA LYS A 804 18.589 16.255 -17.903 1.00 12.32 H new ATOM 0 HB2 LYS A 804 16.956 15.537 -19.785 1.00 24.53 H new ATOM 0 HB3 LYS A 804 16.005 16.915 -19.268 1.00 24.53 H new ATOM 0 HG2 LYS A 804 17.375 18.008 -20.777 1.00 14.54 H new ATOM 0 HG3 LYS A 804 18.400 18.150 -19.362 1.00 14.54 H new ATOM 0 HD2 LYS A 804 19.772 16.284 -20.038 1.00 74.34 H new ATOM 0 HD3 LYS A 804 18.612 15.768 -21.246 1.00 74.34 H new ATOM 0 HE2 LYS A 804 19.848 18.531 -21.440 1.00 63.24 H new ATOM 0 HE3 LYS A 804 20.757 17.135 -21.984 1.00 63.24 H new ATOM 0 HZ1 LYS A 804 19.481 18.104 -23.780 1.00 62.14 H new ATOM 0 HZ2 LYS A 804 18.916 16.538 -23.442 1.00 62.14 H new ATOM 0 HZ3 LYS A 804 18.035 17.891 -22.915 1.00 62.14 H new ATOM 379 N GLU A 805 18.188 18.053 -16.338 1.00 71.14 N ATOM 380 CA GLU A 805 18.003 19.168 -15.425 1.00 21.30 C ATOM 381 C GLU A 805 16.883 20.083 -15.924 1.00 31.31 C ATOM 382 O GLU A 805 16.745 20.302 -17.126 1.00 72.34 O ATOM 383 CB GLU A 805 19.307 19.947 -15.241 1.00 15.35 C ATOM 384 CG GLU A 805 20.187 19.299 -14.170 1.00 74.31 C ATOM 385 CD GLU A 805 21.670 19.522 -14.471 1.00 1.44 C ATOM 386 OE1 GLU A 805 22.128 19.229 -15.585 1.00 51.42 O ATOM 387 OE2 GLU A 805 22.354 20.021 -13.497 1.00 64.23 O ATOM 0 H GLU A 805 19.160 17.786 -16.493 1.00 71.14 H new ATOM 0 HA GLU A 805 17.714 18.772 -14.452 1.00 21.30 H new ATOM 0 HB2 GLU A 805 19.848 19.986 -16.186 1.00 15.35 H new ATOM 0 HB3 GLU A 805 19.083 20.976 -14.959 1.00 15.35 H new ATOM 0 HG2 GLU A 805 19.944 19.716 -13.193 1.00 74.31 H new ATOM 0 HG3 GLU A 805 19.979 18.230 -14.121 1.00 74.31 H new ATOM 395 N GLY A 806 16.112 20.592 -14.975 1.00 14.41 N ATOM 396 CA GLY A 806 15.008 21.479 -15.303 1.00 71.31 C ATOM 397 C GLY A 806 13.793 20.685 -15.789 1.00 45.23 C ATOM 398 O GLY A 806 12.859 21.255 -16.350 1.00 12.51 O ATOM 0 H GLY A 806 16.229 20.407 -13.979 1.00 14.41 H new ATOM 0 HA2 GLY A 806 14.736 22.067 -14.426 1.00 71.31 H new ATOM 0 HA3 GLY A 806 15.319 22.183 -16.075 1.00 71.31 H new ATOM 402 N ASP A 807 13.847 19.382 -15.557 1.00 75.10 N ATOM 403 CA ASP A 807 12.762 18.504 -15.964 1.00 44.44 C ATOM 404 C ASP A 807 12.187 17.805 -14.731 1.00 65.21 C ATOM 405 O ASP A 807 12.850 17.715 -13.699 1.00 21.23 O ATOM 406 CB ASP A 807 13.259 17.427 -16.930 1.00 43.03 C ATOM 407 CG ASP A 807 13.867 17.955 -18.231 1.00 50.43 C ATOM 408 OD1 ASP A 807 13.827 17.285 -19.273 1.00 65.53 O ATOM 409 OD2 ASP A 807 14.406 19.124 -18.146 1.00 1.32 O ATOM 0 H ASP A 807 14.624 18.913 -15.093 1.00 75.10 H new ATOM 0 HA ASP A 807 12.004 19.111 -16.459 1.00 44.44 H new ATOM 0 HB2 ASP A 807 14.005 16.818 -16.419 1.00 43.03 H new ATOM 0 HB3 ASP A 807 12.426 16.769 -17.177 1.00 43.03 H new ATOM 415 N ILE A 808 10.961 17.327 -14.879 1.00 55.33 N ATOM 416 CA ILE A 808 10.289 16.639 -13.790 1.00 71.43 C ATOM 417 C ILE A 808 10.201 15.146 -14.114 1.00 21.21 C ATOM 418 O ILE A 808 10.097 14.764 -15.279 1.00 1.53 O ATOM 419 CB ILE A 808 8.933 17.286 -13.502 1.00 50.11 C ATOM 420 CG1 ILE A 808 8.338 17.901 -14.771 1.00 3.13 C ATOM 421 CG2 ILE A 808 9.043 18.307 -12.367 1.00 71.35 C ATOM 422 CD1 ILE A 808 9.043 19.212 -15.127 1.00 31.32 C ATOM 0 H ILE A 808 10.415 17.402 -15.737 1.00 55.33 H new ATOM 0 HA ILE A 808 10.863 16.733 -12.868 1.00 71.43 H new ATOM 0 HB ILE A 808 8.246 16.507 -13.170 1.00 50.11 H new ATOM 0 HG12 ILE A 808 8.431 17.198 -15.598 1.00 3.13 H new ATOM 0 HG13 ILE A 808 7.273 18.084 -14.626 1.00 3.13 H new ATOM 0 HG21 ILE A 808 8.065 18.752 -12.182 1.00 71.35 H new ATOM 0 HG22 ILE A 808 9.392 17.809 -11.462 1.00 71.35 H new ATOM 0 HG23 ILE A 808 9.750 19.088 -12.647 1.00 71.35 H new ATOM 0 HD11 ILE A 808 8.601 19.628 -16.032 1.00 31.32 H new ATOM 0 HD12 ILE A 808 8.928 19.921 -14.308 1.00 31.32 H new ATOM 0 HD13 ILE A 808 10.103 19.021 -15.295 1.00 31.32 H new ATOM 434 N ILE A 809 10.246 14.341 -13.062 1.00 43.31 N ATOM 435 CA ILE A 809 10.173 12.899 -13.220 1.00 22.33 C ATOM 436 C ILE A 809 8.954 12.368 -12.462 1.00 41.43 C ATOM 437 O ILE A 809 8.882 12.479 -11.239 1.00 63.14 O ATOM 438 CB ILE A 809 11.491 12.246 -12.798 1.00 1.14 C ATOM 439 CG1 ILE A 809 12.538 12.356 -13.908 1.00 73.13 C ATOM 440 CG2 ILE A 809 11.270 10.797 -12.360 1.00 32.13 C ATOM 441 CD1 ILE A 809 13.240 13.715 -13.867 1.00 61.54 C ATOM 0 H ILE A 809 10.332 14.661 -12.097 1.00 43.31 H new ATOM 0 HA ILE A 809 10.036 12.638 -14.269 1.00 22.33 H new ATOM 0 HB ILE A 809 11.879 12.787 -11.935 1.00 1.14 H new ATOM 0 HG12 ILE A 809 13.274 11.559 -13.799 1.00 73.13 H new ATOM 0 HG13 ILE A 809 12.061 12.218 -14.878 1.00 73.13 H new ATOM 0 HG21 ILE A 809 12.223 10.357 -12.065 1.00 32.13 H new ATOM 0 HG22 ILE A 809 10.582 10.773 -11.515 1.00 32.13 H new ATOM 0 HG23 ILE A 809 10.847 10.227 -13.188 1.00 32.13 H new ATOM 0 HD11 ILE A 809 13.979 13.767 -14.666 1.00 61.54 H new ATOM 0 HD12 ILE A 809 12.505 14.509 -14.001 1.00 61.54 H new ATOM 0 HD13 ILE A 809 13.737 13.839 -12.905 1.00 61.54 H new ATOM 453 N LYS A 810 8.026 11.804 -13.221 1.00 13.14 N ATOM 454 CA LYS A 810 6.813 11.256 -12.636 1.00 43.43 C ATOM 455 C LYS A 810 7.148 9.957 -11.902 1.00 23.31 C ATOM 456 O LYS A 810 7.524 8.966 -12.526 1.00 61.23 O ATOM 457 CB LYS A 810 5.729 11.098 -13.704 1.00 34.44 C ATOM 458 CG LYS A 810 4.599 10.193 -13.207 1.00 60.20 C ATOM 459 CD LYS A 810 4.138 10.609 -11.809 1.00 31.23 C ATOM 460 CE LYS A 810 2.654 10.296 -11.605 1.00 22.20 C ATOM 461 NZ LYS A 810 2.286 10.437 -10.178 1.00 51.15 N ATOM 0 H LYS A 810 8.089 11.714 -14.235 1.00 13.14 H new ATOM 0 HA LYS A 810 6.402 11.943 -11.896 1.00 43.43 H new ATOM 0 HB2 LYS A 810 5.327 12.076 -13.967 1.00 34.44 H new ATOM 0 HB3 LYS A 810 6.165 10.678 -14.610 1.00 34.44 H new ATOM 0 HG2 LYS A 810 3.759 10.240 -13.900 1.00 60.20 H new ATOM 0 HG3 LYS A 810 4.939 9.158 -13.189 1.00 60.20 H new ATOM 0 HD2 LYS A 810 4.730 10.088 -11.057 1.00 31.23 H new ATOM 0 HD3 LYS A 810 4.311 11.676 -11.668 1.00 31.23 H new ATOM 0 HE2 LYS A 810 2.048 10.969 -12.211 1.00 22.20 H new ATOM 0 HE3 LYS A 810 2.440 9.282 -11.943 1.00 22.20 H new ATOM 0 HZ1 LYS A 810 1.276 10.221 -10.057 1.00 51.15 H new ATOM 0 HZ2 LYS A 810 2.852 9.777 -9.607 1.00 51.15 H new ATOM 0 HZ3 LYS A 810 2.471 11.412 -9.866 1.00 51.15 H new ATOM 474 N ILE A 811 7.000 10.003 -10.586 1.00 60.11 N ATOM 475 CA ILE A 811 7.282 8.841 -9.760 1.00 2.30 C ATOM 476 C ILE A 811 6.202 7.782 -9.990 1.00 41.54 C ATOM 477 O ILE A 811 5.011 8.076 -9.903 1.00 11.40 O ATOM 478 CB ILE A 811 7.438 9.252 -8.294 1.00 65.53 C ATOM 479 CG1 ILE A 811 8.415 10.421 -8.153 1.00 64.43 C ATOM 480 CG2 ILE A 811 7.847 8.056 -7.431 1.00 14.11 C ATOM 481 CD1 ILE A 811 9.865 9.931 -8.184 1.00 74.22 C ATOM 0 H ILE A 811 6.688 10.827 -10.071 1.00 60.11 H new ATOM 0 HA ILE A 811 8.234 8.393 -10.045 1.00 2.30 H new ATOM 0 HB ILE A 811 6.470 9.596 -7.930 1.00 65.53 H new ATOM 0 HG12 ILE A 811 8.252 11.136 -8.960 1.00 64.43 H new ATOM 0 HG13 ILE A 811 8.225 10.947 -7.218 1.00 64.43 H new ATOM 0 HG21 ILE A 811 7.951 8.374 -6.394 1.00 14.11 H new ATOM 0 HG22 ILE A 811 7.083 7.281 -7.498 1.00 14.11 H new ATOM 0 HG23 ILE A 811 8.798 7.659 -7.786 1.00 14.11 H new ATOM 0 HD11 ILE A 811 10.539 10.782 -8.082 1.00 74.22 H new ATOM 0 HD12 ILE A 811 10.032 9.235 -7.362 1.00 74.22 H new ATOM 0 HD13 ILE A 811 10.058 9.426 -9.131 1.00 74.22 H new ATOM 493 N LEU A 812 6.657 6.572 -10.280 1.00 41.44 N ATOM 494 CA LEU A 812 5.745 5.468 -10.524 1.00 55.21 C ATOM 495 C LEU A 812 6.010 4.359 -9.505 1.00 33.44 C ATOM 496 O LEU A 812 5.080 3.847 -8.883 1.00 31.21 O ATOM 497 CB LEU A 812 5.842 5.003 -11.978 1.00 43.34 C ATOM 498 CG LEU A 812 5.924 6.110 -13.032 1.00 71.32 C ATOM 499 CD1 LEU A 812 6.677 5.629 -14.274 1.00 43.41 C ATOM 500 CD2 LEU A 812 4.532 6.642 -13.377 1.00 14.42 C ATOM 0 H LEU A 812 7.646 6.332 -10.351 1.00 41.44 H new ATOM 0 HA LEU A 812 4.713 5.789 -10.385 1.00 55.21 H new ATOM 0 HB2 LEU A 812 6.722 4.368 -12.078 1.00 43.34 H new ATOM 0 HB3 LEU A 812 4.974 4.382 -12.199 1.00 43.34 H new ATOM 0 HG LEU A 812 6.492 6.940 -12.612 1.00 71.32 H new ATOM 0 HD11 LEU A 812 6.721 6.434 -15.007 1.00 43.41 H new ATOM 0 HD12 LEU A 812 7.689 5.336 -13.995 1.00 43.41 H new ATOM 0 HD13 LEU A 812 6.158 4.773 -14.706 1.00 43.41 H new ATOM 0 HD21 LEU A 812 4.618 7.427 -14.128 1.00 14.42 H new ATOM 0 HD22 LEU A 812 3.919 5.830 -13.770 1.00 14.42 H new ATOM 0 HD23 LEU A 812 4.065 7.048 -12.480 1.00 14.42 H new ATOM 512 N ASN A 813 7.283 4.019 -9.365 1.00 12.55 N ATOM 513 CA ASN A 813 7.682 2.980 -8.431 1.00 61.11 C ATOM 514 C ASN A 813 8.648 3.569 -7.401 1.00 65.25 C ATOM 515 O ASN A 813 9.396 4.497 -7.706 1.00 62.33 O ATOM 516 CB ASN A 813 8.399 1.837 -9.153 1.00 10.30 C ATOM 517 CG ASN A 813 8.121 0.497 -8.469 1.00 61.04 C ATOM 518 OD1 ASN A 813 7.489 0.421 -7.429 1.00 33.31 O ATOM 519 ND2 ASN A 813 8.628 -0.552 -9.110 1.00 73.44 N ATOM 0 H ASN A 813 8.052 4.445 -9.883 1.00 12.55 H new ATOM 0 HA ASN A 813 6.783 2.595 -7.950 1.00 61.11 H new ATOM 0 HB2 ASN A 813 8.070 1.795 -10.191 1.00 10.30 H new ATOM 0 HB3 ASN A 813 9.472 2.027 -9.166 1.00 10.30 H new ATOM 0 HD21 ASN A 813 8.497 -1.491 -8.734 1.00 73.44 H new ATOM 0 HD22 ASN A 813 9.147 -0.417 -9.977 1.00 73.44 H new ATOM 526 N LYS A 814 8.602 3.005 -6.203 1.00 52.23 N ATOM 527 CA LYS A 814 9.464 3.463 -5.127 1.00 31.21 C ATOM 528 C LYS A 814 10.040 2.252 -4.391 1.00 65.42 C ATOM 529 O LYS A 814 9.585 1.908 -3.302 1.00 34.23 O ATOM 530 CB LYS A 814 8.713 4.436 -4.216 1.00 31.33 C ATOM 531 CG LYS A 814 8.347 5.718 -4.966 1.00 33.02 C ATOM 532 CD LYS A 814 9.269 6.871 -4.563 1.00 74.24 C ATOM 533 CE LYS A 814 8.610 7.755 -3.503 1.00 13.20 C ATOM 534 NZ LYS A 814 8.628 7.084 -2.184 1.00 4.10 N ATOM 0 H LYS A 814 7.981 2.235 -5.954 1.00 52.23 H new ATOM 0 HA LYS A 814 10.308 4.025 -5.528 1.00 31.21 H new ATOM 0 HB2 LYS A 814 7.808 3.961 -3.838 1.00 31.33 H new ATOM 0 HB3 LYS A 814 9.330 4.680 -3.351 1.00 31.33 H new ATOM 0 HG2 LYS A 814 8.419 5.548 -6.040 1.00 33.02 H new ATOM 0 HG3 LYS A 814 7.312 5.985 -4.754 1.00 33.02 H new ATOM 0 HD2 LYS A 814 10.208 6.473 -4.177 1.00 74.24 H new ATOM 0 HD3 LYS A 814 9.513 7.470 -5.440 1.00 74.24 H new ATOM 0 HE2 LYS A 814 9.134 8.709 -3.440 1.00 13.20 H new ATOM 0 HE3 LYS A 814 7.582 7.975 -3.792 1.00 13.20 H new ATOM 0 HZ1 LYS A 814 8.177 7.698 -1.476 1.00 4.10 H new ATOM 0 HZ2 LYS A 814 8.108 6.185 -2.245 1.00 4.10 H new ATOM 0 HZ3 LYS A 814 9.612 6.897 -1.903 1.00 4.10 H new ATOM 609 N GLY A 819 17.452 4.666 -2.736 1.00 71.14 N ATOM 610 CA GLY A 819 17.750 3.636 -3.718 1.00 15.44 C ATOM 611 C GLY A 819 17.615 4.181 -5.141 1.00 62.43 C ATOM 612 O GLY A 819 18.362 5.072 -5.542 1.00 62.21 O ATOM 0 HA2 GLY A 819 18.762 3.262 -3.562 1.00 15.44 H new ATOM 0 HA3 GLY A 819 17.074 2.792 -3.582 1.00 15.44 H new ATOM 616 N TRP A 820 16.658 3.622 -5.866 1.00 74.54 N ATOM 617 CA TRP A 820 16.416 4.040 -7.237 1.00 32.41 C ATOM 618 C TRP A 820 14.906 4.010 -7.481 1.00 14.13 C ATOM 619 O TRP A 820 14.273 2.963 -7.354 1.00 20.22 O ATOM 620 CB TRP A 820 17.198 3.168 -8.222 1.00 15.21 C ATOM 621 CG TRP A 820 16.701 1.724 -8.305 1.00 34.41 C ATOM 622 CD1 TRP A 820 16.404 0.894 -7.295 1.00 63.33 C ATOM 623 CD2 TRP A 820 16.452 0.968 -9.509 1.00 22.41 C ATOM 624 NE1 TRP A 820 15.985 -0.337 -7.758 1.00 50.15 N ATOM 625 CE2 TRP A 820 16.015 -0.290 -9.147 1.00 70.44 C ATOM 626 CE3 TRP A 820 16.592 1.335 -10.859 1.00 23.31 C ATOM 627 CZ2 TRP A 820 15.682 -1.283 -10.077 1.00 44.11 C ATOM 628 CZ3 TRP A 820 16.256 0.331 -11.776 1.00 11.53 C ATOM 629 CH2 TRP A 820 15.814 -0.940 -11.428 1.00 3.21 C ATOM 0 H TRP A 820 16.040 2.883 -5.530 1.00 74.54 H new ATOM 0 HA TRP A 820 16.775 5.056 -7.399 1.00 32.41 H new ATOM 0 HB2 TRP A 820 17.142 3.618 -9.213 1.00 15.21 H new ATOM 0 HB3 TRP A 820 18.249 3.164 -7.932 1.00 15.21 H new ATOM 0 HD1 TRP A 820 16.483 1.156 -6.250 1.00 63.33 H new ATOM 0 HE1 TRP A 820 15.705 -1.134 -7.186 1.00 50.15 H new ATOM 0 HE3 TRP A 820 16.932 2.314 -11.165 1.00 23.31 H new ATOM 0 HZ2 TRP A 820 15.342 -2.261 -9.769 1.00 44.11 H new ATOM 0 HZ3 TRP A 820 16.347 0.561 -12.827 1.00 11.53 H new ATOM 0 HH2 TRP A 820 15.573 -1.660 -12.196 1.00 3.21 H new ATOM 640 N TRP A 821 14.371 5.172 -7.827 1.00 5.25 N ATOM 641 CA TRP A 821 12.947 5.293 -8.089 1.00 65.33 C ATOM 642 C TRP A 821 12.721 5.061 -9.585 1.00 4.23 C ATOM 643 O TRP A 821 13.644 5.205 -10.385 1.00 62.42 O ATOM 644 CB TRP A 821 12.413 6.642 -7.606 1.00 1.22 C ATOM 645 CG TRP A 821 12.504 6.841 -6.092 1.00 4.44 C ATOM 646 CD1 TRP A 821 12.318 5.930 -5.127 1.00 5.11 C ATOM 647 CD2 TRP A 821 12.814 8.072 -5.403 1.00 61.43 C ATOM 648 NE1 TRP A 821 12.485 6.481 -3.872 1.00 71.43 N ATOM 649 CE2 TRP A 821 12.796 7.824 -4.046 1.00 10.21 C ATOM 650 CE3 TRP A 821 13.100 9.351 -5.911 1.00 43.01 C ATOM 651 CZ2 TRP A 821 13.056 8.808 -3.084 1.00 33.41 C ATOM 652 CZ3 TRP A 821 13.358 10.323 -4.937 1.00 34.13 C ATOM 653 CH2 TRP A 821 13.343 10.090 -3.566 1.00 61.15 C ATOM 0 H TRP A 821 14.899 6.039 -7.932 1.00 5.25 H new ATOM 0 HA TRP A 821 12.387 4.543 -7.531 1.00 65.33 H new ATOM 0 HB2 TRP A 821 12.968 7.439 -8.101 1.00 1.22 H new ATOM 0 HB3 TRP A 821 11.372 6.740 -7.913 1.00 1.22 H new ATOM 0 HD1 TRP A 821 12.069 4.895 -5.308 1.00 5.11 H new ATOM 0 HE1 TRP A 821 12.396 5.992 -2.981 1.00 71.43 H new ATOM 0 HE3 TRP A 821 13.119 9.567 -6.969 1.00 43.01 H new ATOM 0 HZ2 TRP A 821 13.036 8.589 -2.027 1.00 33.41 H new ATOM 0 HZ3 TRP A 821 13.585 11.324 -5.274 1.00 34.13 H new ATOM 0 HH2 TRP A 821 13.552 10.895 -2.877 1.00 61.15 H new ATOM 664 N ARG A 822 11.489 4.707 -9.916 1.00 75.14 N ATOM 665 CA ARG A 822 11.129 4.454 -11.301 1.00 45.25 C ATOM 666 C ARG A 822 10.060 5.447 -11.762 1.00 45.04 C ATOM 667 O ARG A 822 8.968 5.494 -11.199 1.00 50.12 O ATOM 668 CB ARG A 822 10.604 3.029 -11.483 1.00 31.21 C ATOM 669 CG ARG A 822 10.402 2.703 -12.964 1.00 43.12 C ATOM 670 CD ARG A 822 9.446 1.522 -13.141 1.00 13.13 C ATOM 671 NE ARG A 822 8.148 1.821 -12.496 1.00 12.33 N ATOM 672 CZ ARG A 822 7.193 0.898 -12.252 1.00 3.44 C ATOM 673 NH1 ARG A 822 7.384 -0.393 -12.597 1.00 40.54 N ATOM 674 NH2 ARG A 822 6.071 1.277 -11.670 1.00 14.23 N ATOM 0 H ARG A 822 10.726 4.589 -9.249 1.00 75.14 H new ATOM 0 HA ARG A 822 12.028 4.577 -11.904 1.00 45.25 H new ATOM 0 HB2 ARG A 822 11.306 2.320 -11.044 1.00 31.21 H new ATOM 0 HB3 ARG A 822 9.660 2.915 -10.950 1.00 31.21 H new ATOM 0 HG2 ARG A 822 10.006 3.577 -13.481 1.00 43.12 H new ATOM 0 HG3 ARG A 822 11.363 2.469 -13.423 1.00 43.12 H new ATOM 0 HD2 ARG A 822 9.297 1.320 -14.202 1.00 13.13 H new ATOM 0 HD3 ARG A 822 9.880 0.623 -12.704 1.00 13.13 H new ATOM 0 HE ARG A 822 7.963 2.785 -12.218 1.00 12.33 H new ATOM 0 HH11 ARG A 822 8.255 -0.678 -13.046 1.00 40.54 H new ATOM 0 HH12 ARG A 822 6.658 -1.084 -12.409 1.00 40.54 H new ATOM 0 HH21 ARG A 822 5.935 2.254 -11.412 1.00 14.23 H new ATOM 0 HH22 ARG A 822 5.339 0.593 -11.479 1.00 14.23 H new ATOM 687 N GLY A 823 10.413 6.216 -12.782 1.00 71.11 N ATOM 688 CA GLY A 823 9.497 7.205 -13.325 1.00 63.01 C ATOM 689 C GLY A 823 9.521 7.193 -14.855 1.00 21.21 C ATOM 690 O GLY A 823 9.965 6.221 -15.465 1.00 1.23 O ATOM 0 H GLY A 823 11.320 6.174 -13.246 1.00 71.11 H new ATOM 0 HA2 GLY A 823 8.486 7.002 -12.972 1.00 63.01 H new ATOM 0 HA3 GLY A 823 9.769 8.196 -12.961 1.00 63.01 H new ATOM 694 N GLU A 824 9.038 8.284 -15.431 1.00 71.41 N ATOM 695 CA GLU A 824 8.998 8.411 -16.878 1.00 62.31 C ATOM 696 C GLU A 824 9.070 9.884 -17.284 1.00 5.23 C ATOM 697 O GLU A 824 8.761 10.767 -16.485 1.00 41.43 O ATOM 698 CB GLU A 824 7.747 7.745 -17.453 1.00 35.42 C ATOM 699 CG GLU A 824 7.419 8.299 -18.841 1.00 31.41 C ATOM 700 CD GLU A 824 6.162 7.639 -19.412 1.00 14.34 C ATOM 701 OE1 GLU A 824 5.045 7.942 -18.964 1.00 25.41 O ATOM 702 OE2 GLU A 824 6.374 6.785 -20.355 1.00 1.32 O ATOM 0 H GLU A 824 8.671 9.088 -14.922 1.00 71.41 H new ATOM 0 HA GLU A 824 9.866 7.897 -17.292 1.00 62.31 H new ATOM 0 HB2 GLU A 824 7.900 6.668 -17.515 1.00 35.42 H new ATOM 0 HB3 GLU A 824 6.903 7.909 -16.783 1.00 35.42 H new ATOM 0 HG2 GLU A 824 7.272 9.377 -18.781 1.00 31.41 H new ATOM 0 HG3 GLU A 824 8.260 8.129 -19.513 1.00 31.41 H new ATOM 710 N ILE A 825 9.481 10.104 -18.524 1.00 52.11 N ATOM 711 CA ILE A 825 9.598 11.455 -19.045 1.00 54.43 C ATOM 712 C ILE A 825 9.367 11.436 -20.558 1.00 35.24 C ATOM 713 O ILE A 825 10.058 10.725 -21.286 1.00 1.53 O ATOM 714 CB ILE A 825 10.936 12.074 -18.636 1.00 33.14 C ATOM 715 CG1 ILE A 825 10.863 12.651 -17.220 1.00 73.33 C ATOM 716 CG2 ILE A 825 11.393 13.117 -19.657 1.00 0.30 C ATOM 717 CD1 ILE A 825 11.986 13.662 -16.982 1.00 32.02 C ATOM 0 H ILE A 825 9.737 9.369 -19.183 1.00 52.11 H new ATOM 0 HA ILE A 825 8.831 12.097 -18.612 1.00 54.43 H new ATOM 0 HB ILE A 825 11.688 11.285 -18.624 1.00 33.14 H new ATOM 0 HG12 ILE A 825 9.897 13.133 -17.069 1.00 73.33 H new ATOM 0 HG13 ILE A 825 10.934 11.844 -16.490 1.00 73.33 H new ATOM 0 HG21 ILE A 825 12.346 13.541 -19.342 1.00 0.30 H new ATOM 0 HG22 ILE A 825 11.511 12.644 -20.632 1.00 0.30 H new ATOM 0 HG23 ILE A 825 10.648 13.910 -19.726 1.00 0.30 H new ATOM 0 HD11 ILE A 825 11.911 14.057 -15.969 1.00 32.02 H new ATOM 0 HD12 ILE A 825 12.951 13.171 -17.110 1.00 32.02 H new ATOM 0 HD13 ILE A 825 11.897 14.480 -17.697 1.00 32.02 H new ATOM 729 N TYR A 826 8.392 12.224 -20.985 1.00 55.43 N ATOM 730 CA TYR A 826 8.061 12.307 -22.398 1.00 34.42 C ATOM 731 C TYR A 826 7.641 10.940 -22.943 1.00 53.00 C ATOM 732 O TYR A 826 7.792 10.669 -24.133 1.00 43.43 O ATOM 733 CB TYR A 826 9.341 12.753 -23.106 1.00 3.24 C ATOM 734 CG TYR A 826 10.028 13.954 -22.451 1.00 73.41 C ATOM 735 CD1 TYR A 826 9.273 14.916 -21.812 1.00 11.23 C ATOM 736 CD2 TYR A 826 11.402 14.074 -22.500 1.00 13.11 C ATOM 737 CE1 TYR A 826 9.919 16.046 -21.196 1.00 0.14 C ATOM 738 CE2 TYR A 826 12.048 15.204 -21.884 1.00 33.01 C ATOM 739 CZ TYR A 826 11.275 16.134 -21.262 1.00 55.20 C ATOM 740 OH TYR A 826 11.885 17.201 -20.680 1.00 53.32 O ATOM 0 H TYR A 826 7.820 12.811 -20.378 1.00 55.43 H new ATOM 0 HA TYR A 826 7.233 12.997 -22.558 1.00 34.42 H new ATOM 0 HB2 TYR A 826 10.040 11.917 -23.132 1.00 3.24 H new ATOM 0 HB3 TYR A 826 9.104 13.002 -24.140 1.00 3.24 H new ATOM 0 HD1 TYR A 826 8.198 14.822 -21.774 1.00 11.23 H new ATOM 0 HD2 TYR A 826 11.993 13.321 -23.000 1.00 13.11 H new ATOM 0 HE1 TYR A 826 9.340 16.806 -20.693 1.00 0.14 H new ATOM 0 HE2 TYR A 826 13.122 15.311 -21.915 1.00 33.01 H new ATOM 0 HH TYR A 826 12.578 16.885 -20.064 1.00 53.32 H new ATOM 750 N GLY A 827 7.121 10.115 -22.046 1.00 62.11 N ATOM 751 CA GLY A 827 6.678 8.783 -22.422 1.00 44.03 C ATOM 752 C GLY A 827 7.814 7.768 -22.283 1.00 24.44 C ATOM 753 O GLY A 827 7.616 6.574 -22.506 1.00 1.42 O ATOM 0 H GLY A 827 6.997 10.343 -21.060 1.00 62.11 H new ATOM 0 HA2 GLY A 827 5.839 8.484 -21.793 1.00 44.03 H new ATOM 0 HA3 GLY A 827 6.318 8.793 -23.451 1.00 44.03 H new ATOM 757 N ARG A 828 8.980 8.279 -21.914 1.00 71.50 N ATOM 758 CA ARG A 828 10.148 7.431 -21.742 1.00 13.21 C ATOM 759 C ARG A 828 10.186 6.863 -20.322 1.00 25.21 C ATOM 760 O ARG A 828 10.389 7.601 -19.359 1.00 54.43 O ATOM 761 CB ARG A 828 11.437 8.210 -22.008 1.00 4.25 C ATOM 762 CG ARG A 828 11.465 8.754 -23.437 1.00 52.04 C ATOM 763 CD ARG A 828 12.902 8.895 -23.943 1.00 1.32 C ATOM 764 NE ARG A 828 12.911 9.011 -25.418 1.00 53.22 N ATOM 765 CZ ARG A 828 14.007 9.309 -26.148 1.00 11.34 C ATOM 766 NH1 ARG A 828 15.195 9.524 -25.543 1.00 15.51 N ATOM 767 NH2 ARG A 828 13.900 9.387 -27.461 1.00 11.31 N ATOM 0 H ARG A 828 9.141 9.269 -21.729 1.00 71.50 H new ATOM 0 HA ARG A 828 10.075 6.615 -22.461 1.00 13.21 H new ATOM 0 HB2 ARG A 828 11.520 9.034 -21.300 1.00 4.25 H new ATOM 0 HB3 ARG A 828 12.298 7.562 -21.845 1.00 4.25 H new ATOM 0 HG2 ARG A 828 10.908 8.087 -24.095 1.00 52.04 H new ATOM 0 HG3 ARG A 828 10.967 9.723 -23.471 1.00 52.04 H new ATOM 0 HD2 ARG A 828 13.368 9.774 -23.498 1.00 1.32 H new ATOM 0 HD3 ARG A 828 13.491 8.031 -23.634 1.00 1.32 H new ATOM 0 HE ARG A 828 12.034 8.856 -25.915 1.00 53.22 H new ATOM 0 HH11 ARG A 828 15.269 9.462 -24.528 1.00 15.51 H new ATOM 0 HH12 ARG A 828 16.018 9.749 -26.101 1.00 15.51 H new ATOM 0 HH21 ARG A 828 12.999 9.223 -27.910 1.00 11.31 H new ATOM 0 HH22 ARG A 828 14.718 9.611 -28.027 1.00 11.31 H new ATOM 780 N ILE A 829 9.990 5.555 -20.236 1.00 53.45 N ATOM 781 CA ILE A 829 10.000 4.880 -18.950 1.00 73.42 C ATOM 782 C ILE A 829 11.434 4.478 -18.601 1.00 2.20 C ATOM 783 O ILE A 829 12.273 4.323 -19.488 1.00 15.14 O ATOM 784 CB ILE A 829 9.017 3.707 -18.953 1.00 55.32 C ATOM 785 CG1 ILE A 829 7.599 4.182 -19.279 1.00 33.44 C ATOM 786 CG2 ILE A 829 9.075 2.939 -17.631 1.00 52.41 C ATOM 787 CD1 ILE A 829 6.844 4.569 -18.005 1.00 22.50 C ATOM 0 H ILE A 829 9.823 4.945 -21.036 1.00 53.45 H new ATOM 0 HA ILE A 829 9.656 5.553 -18.164 1.00 73.42 H new ATOM 0 HB ILE A 829 9.314 3.014 -19.740 1.00 55.32 H new ATOM 0 HG12 ILE A 829 7.644 5.037 -19.953 1.00 33.44 H new ATOM 0 HG13 ILE A 829 7.058 3.393 -19.801 1.00 33.44 H new ATOM 0 HG21 ILE A 829 8.367 2.111 -17.660 1.00 52.41 H new ATOM 0 HG22 ILE A 829 10.082 2.550 -17.480 1.00 52.41 H new ATOM 0 HG23 ILE A 829 8.818 3.608 -16.810 1.00 52.41 H new ATOM 0 HD11 ILE A 829 5.839 4.903 -18.265 1.00 22.50 H new ATOM 0 HD12 ILE A 829 6.780 3.705 -17.344 1.00 22.50 H new ATOM 0 HD13 ILE A 829 7.375 5.375 -17.498 1.00 22.50 H new ATOM 799 N GLY A 830 11.673 4.322 -17.307 1.00 74.41 N ATOM 800 CA GLY A 830 12.991 3.941 -16.830 1.00 2.22 C ATOM 801 C GLY A 830 13.129 4.208 -15.330 1.00 3.25 C ATOM 802 O GLY A 830 12.148 4.523 -14.658 1.00 73.34 O ATOM 0 H GLY A 830 10.976 4.453 -16.574 1.00 74.41 H new ATOM 0 HA2 GLY A 830 13.163 2.884 -17.032 1.00 2.22 H new ATOM 0 HA3 GLY A 830 13.754 4.498 -17.374 1.00 2.22 H new ATOM 806 N TRP A 831 14.356 4.073 -14.847 1.00 71.13 N ATOM 807 CA TRP A 831 14.635 4.295 -13.439 1.00 2.52 C ATOM 808 C TRP A 831 15.723 5.366 -13.336 1.00 10.50 C ATOM 809 O TRP A 831 16.146 5.926 -14.347 1.00 32.05 O ATOM 810 CB TRP A 831 15.016 2.988 -12.742 1.00 70.21 C ATOM 811 CG TRP A 831 13.943 1.901 -12.830 1.00 20.52 C ATOM 812 CD1 TRP A 831 13.382 1.382 -13.931 1.00 12.13 C ATOM 813 CD2 TRP A 831 13.321 1.215 -11.722 1.00 61.15 C ATOM 814 NE1 TRP A 831 12.447 0.417 -13.615 1.00 65.44 N ATOM 815 CE2 TRP A 831 12.410 0.312 -12.230 1.00 34.31 C ATOM 816 CE3 TRP A 831 13.522 1.353 -10.338 1.00 4.41 C ATOM 817 CZ2 TRP A 831 11.627 -0.523 -11.423 1.00 50.01 C ATOM 818 CZ3 TRP A 831 12.733 0.512 -9.545 1.00 55.11 C ATOM 819 CH2 TRP A 831 11.810 -0.402 -10.040 1.00 63.44 C ATOM 0 H TRP A 831 15.168 3.813 -15.407 1.00 71.13 H new ATOM 0 HA TRP A 831 13.744 4.652 -12.921 1.00 2.52 H new ATOM 0 HB2 TRP A 831 15.939 2.610 -13.181 1.00 70.21 H new ATOM 0 HB3 TRP A 831 15.224 3.195 -11.692 1.00 70.21 H new ATOM 0 HD1 TRP A 831 13.630 1.681 -14.939 1.00 12.13 H new ATOM 0 HE1 TRP A 831 11.886 -0.120 -14.276 1.00 65.44 H new ATOM 0 HE3 TRP A 831 14.230 2.053 -9.919 1.00 4.41 H new ATOM 0 HZ2 TRP A 831 10.920 -1.222 -11.845 1.00 50.01 H new ATOM 0 HZ3 TRP A 831 12.849 0.578 -8.473 1.00 55.11 H new ATOM 0 HH2 TRP A 831 11.237 -1.016 -9.361 1.00 63.44 H new ATOM 830 N PHE A 832 16.145 5.620 -12.106 1.00 30.42 N ATOM 831 CA PHE A 832 17.175 6.614 -11.858 1.00 24.42 C ATOM 832 C PHE A 832 17.514 6.692 -10.368 1.00 24.12 C ATOM 833 O PHE A 832 16.733 6.252 -9.526 1.00 24.52 O ATOM 834 CB PHE A 832 16.615 7.962 -12.313 1.00 15.34 C ATOM 835 CG PHE A 832 15.255 8.309 -11.702 1.00 23.14 C ATOM 836 CD1 PHE A 832 14.112 7.870 -12.293 1.00 20.51 C ATOM 837 CD2 PHE A 832 15.190 9.056 -10.567 1.00 43.54 C ATOM 838 CE1 PHE A 832 12.851 8.191 -11.726 1.00 14.21 C ATOM 839 CE2 PHE A 832 13.929 9.378 -10.000 1.00 53.24 C ATOM 840 CZ PHE A 832 12.785 8.939 -10.592 1.00 25.23 C ATOM 0 H PHE A 832 15.792 5.154 -11.270 1.00 30.42 H new ATOM 0 HA PHE A 832 18.085 6.349 -12.397 1.00 24.42 H new ATOM 0 HB2 PHE A 832 17.328 8.745 -12.056 1.00 15.34 H new ATOM 0 HB3 PHE A 832 16.524 7.958 -13.399 1.00 15.34 H new ATOM 0 HD1 PHE A 832 14.164 7.277 -13.194 1.00 20.51 H new ATOM 0 HD2 PHE A 832 16.098 9.404 -10.097 1.00 43.54 H new ATOM 0 HE1 PHE A 832 11.943 7.841 -12.195 1.00 14.21 H new ATOM 0 HE2 PHE A 832 13.878 9.971 -9.099 1.00 53.24 H new ATOM 0 HZ PHE A 832 11.825 9.184 -10.162 1.00 25.23 H new ATOM 850 N PRO A 833 18.711 7.271 -10.080 1.00 61.43 N ATOM 851 CA PRO A 833 19.163 7.412 -8.707 1.00 1.33 C ATOM 852 C PRO A 833 18.409 8.537 -7.994 1.00 72.15 C ATOM 853 O PRO A 833 18.013 9.518 -8.622 1.00 33.02 O ATOM 854 CB PRO A 833 20.657 7.671 -8.809 1.00 4.00 C ATOM 855 CG PRO A 833 20.905 8.126 -10.238 1.00 72.22 C ATOM 856 CD PRO A 833 19.662 7.803 -11.052 1.00 10.54 C ATOM 0 HA PRO A 833 18.966 6.524 -8.106 1.00 1.33 H new ATOM 0 HB2 PRO A 833 20.971 8.434 -8.096 1.00 4.00 H new ATOM 0 HB3 PRO A 833 21.226 6.769 -8.582 1.00 4.00 H new ATOM 0 HG2 PRO A 833 21.113 9.195 -10.267 1.00 72.22 H new ATOM 0 HG3 PRO A 833 21.776 7.620 -10.654 1.00 72.22 H new ATOM 0 HD2 PRO A 833 19.269 8.692 -11.545 1.00 10.54 H new ATOM 0 HD3 PRO A 833 19.879 7.075 -11.834 1.00 10.54 H new ATOM 864 N SER A 834 18.233 8.357 -6.694 1.00 21.13 N ATOM 865 CA SER A 834 17.534 9.344 -5.889 1.00 55.33 C ATOM 866 C SER A 834 18.484 10.484 -5.517 1.00 54.53 C ATOM 867 O SER A 834 18.110 11.392 -4.776 1.00 32.01 O ATOM 868 CB SER A 834 16.946 8.710 -4.627 1.00 53.12 C ATOM 869 OG SER A 834 17.878 8.703 -3.549 1.00 51.33 O ATOM 0 H SER A 834 18.563 7.542 -6.177 1.00 21.13 H new ATOM 0 HA SER A 834 16.710 9.744 -6.479 1.00 55.33 H new ATOM 0 HB2 SER A 834 16.052 9.257 -4.329 1.00 53.12 H new ATOM 0 HB3 SER A 834 16.636 7.688 -4.845 1.00 53.12 H new ATOM 0 HG SER A 834 17.464 8.292 -2.761 1.00 51.33 H new ATOM 875 N ASN A 835 19.694 10.401 -6.049 1.00 62.52 N ATOM 876 CA ASN A 835 20.701 11.414 -5.782 1.00 72.15 C ATOM 877 C ASN A 835 20.865 12.301 -7.018 1.00 41.02 C ATOM 878 O ASN A 835 21.670 13.231 -7.016 1.00 62.05 O ATOM 879 CB ASN A 835 22.057 10.776 -5.475 1.00 32.30 C ATOM 880 CG ASN A 835 21.910 9.635 -4.467 1.00 33.45 C ATOM 881 OD1 ASN A 835 21.526 9.826 -3.324 1.00 51.54 O ATOM 882 ND2 ASN A 835 22.235 8.439 -4.951 1.00 4.53 N ATOM 0 H ASN A 835 20.000 9.647 -6.664 1.00 62.52 H new ATOM 0 HA ASN A 835 20.374 11.996 -4.921 1.00 72.15 H new ATOM 0 HB2 ASN A 835 22.502 10.398 -6.395 1.00 32.30 H new ATOM 0 HB3 ASN A 835 22.737 11.531 -5.079 1.00 32.30 H new ATOM 0 HD21 ASN A 835 22.170 7.613 -4.356 1.00 4.53 H new ATOM 0 HD22 ASN A 835 22.549 8.348 -5.917 1.00 4.53 H new ATOM 889 N TYR A 836 20.089 11.982 -8.044 1.00 10.25 N ATOM 890 CA TYR A 836 20.138 12.739 -9.283 1.00 63.32 C ATOM 891 C TYR A 836 18.802 13.433 -9.555 1.00 45.32 C ATOM 892 O TYR A 836 18.598 13.994 -10.631 1.00 1.13 O ATOM 893 CB TYR A 836 20.403 11.717 -10.391 1.00 20.35 C ATOM 894 CG TYR A 836 21.887 11.437 -10.638 1.00 12.24 C ATOM 895 CD1 TYR A 836 22.682 10.972 -9.610 1.00 31.22 C ATOM 896 CD2 TYR A 836 22.430 11.650 -11.888 1.00 43.51 C ATOM 897 CE1 TYR A 836 24.078 10.709 -9.842 1.00 64.24 C ATOM 898 CE2 TYR A 836 23.827 11.387 -12.121 1.00 12.44 C ATOM 899 CZ TYR A 836 24.582 10.930 -11.086 1.00 70.53 C ATOM 900 OH TYR A 836 25.901 10.681 -11.306 1.00 11.11 O ATOM 0 H TYR A 836 19.423 11.209 -8.042 1.00 10.25 H new ATOM 0 HA TYR A 836 20.907 13.510 -9.232 1.00 63.32 H new ATOM 0 HB2 TYR A 836 19.905 10.782 -10.135 1.00 20.35 H new ATOM 0 HB3 TYR A 836 19.952 12.075 -11.317 1.00 20.35 H new ATOM 0 HD1 TYR A 836 22.257 10.805 -8.631 1.00 31.22 H new ATOM 0 HD2 TYR A 836 21.808 12.014 -12.692 1.00 43.51 H new ATOM 0 HE1 TYR A 836 24.711 10.344 -9.046 1.00 64.24 H new ATOM 0 HE2 TYR A 836 24.265 11.549 -13.095 1.00 12.44 H new ATOM 0 HH TYR A 836 26.121 10.883 -12.240 1.00 11.11 H new ATOM 910 N VAL A 837 17.928 13.373 -8.562 1.00 54.11 N ATOM 911 CA VAL A 837 16.617 13.989 -8.681 1.00 1.42 C ATOM 912 C VAL A 837 16.122 14.397 -7.292 1.00 4.53 C ATOM 913 O VAL A 837 16.652 13.939 -6.281 1.00 4.13 O ATOM 914 CB VAL A 837 15.657 13.042 -9.403 1.00 32.12 C ATOM 915 CG1 VAL A 837 16.271 12.528 -10.706 1.00 72.43 C ATOM 916 CG2 VAL A 837 15.246 11.881 -8.495 1.00 14.23 C ATOM 0 H VAL A 837 18.101 12.907 -7.671 1.00 54.11 H new ATOM 0 HA VAL A 837 16.674 14.895 -9.285 1.00 1.42 H new ATOM 0 HB VAL A 837 14.758 13.604 -9.655 1.00 32.12 H new ATOM 0 HG11 VAL A 837 15.568 11.857 -11.200 1.00 72.43 H new ATOM 0 HG12 VAL A 837 16.490 13.370 -11.362 1.00 72.43 H new ATOM 0 HG13 VAL A 837 17.193 11.990 -10.486 1.00 72.43 H new ATOM 0 HG21 VAL A 837 14.563 11.223 -9.032 1.00 14.23 H new ATOM 0 HG22 VAL A 837 16.132 11.320 -8.198 1.00 14.23 H new ATOM 0 HG23 VAL A 837 14.749 12.272 -7.607 1.00 14.23 H new ATOM 926 N GLU A 838 15.112 15.255 -7.287 1.00 24.15 N ATOM 927 CA GLU A 838 14.540 15.730 -6.038 1.00 63.12 C ATOM 928 C GLU A 838 13.012 15.719 -6.116 1.00 44.45 C ATOM 929 O GLU A 838 12.432 16.240 -7.068 1.00 4.41 O ATOM 930 CB GLU A 838 15.062 17.126 -5.692 1.00 71.02 C ATOM 931 CG GLU A 838 16.590 17.172 -5.757 1.00 11.03 C ATOM 932 CD GLU A 838 17.211 16.429 -4.572 1.00 42.02 C ATOM 933 OE1 GLU A 838 18.438 16.255 -4.524 1.00 0.42 O ATOM 934 OE2 GLU A 838 16.371 16.027 -3.680 1.00 22.43 O ATOM 0 H GLU A 838 14.675 15.633 -8.127 1.00 24.15 H new ATOM 0 HA GLU A 838 14.848 15.055 -5.240 1.00 63.12 H new ATOM 0 HB2 GLU A 838 14.643 17.857 -6.384 1.00 71.02 H new ATOM 0 HB3 GLU A 838 14.728 17.405 -4.693 1.00 71.02 H new ATOM 0 HG2 GLU A 838 16.932 16.725 -6.691 1.00 11.03 H new ATOM 0 HG3 GLU A 838 16.927 18.209 -5.758 1.00 11.03 H new ATOM 942 N GLU A 839 12.404 15.120 -5.103 1.00 51.35 N ATOM 943 CA GLU A 839 10.954 15.035 -5.046 1.00 4.13 C ATOM 944 C GLU A 839 10.432 15.727 -3.785 1.00 31.31 C ATOM 945 O GLU A 839 11.208 16.073 -2.896 1.00 31.24 O ATOM 946 CB GLU A 839 10.488 13.579 -5.106 1.00 0.23 C ATOM 947 CG GLU A 839 11.065 12.770 -3.943 1.00 4.04 C ATOM 948 CD GLU A 839 10.424 13.182 -2.616 1.00 51.22 C ATOM 949 OE1 GLU A 839 9.244 12.883 -2.378 1.00 63.55 O ATOM 950 OE2 GLU A 839 11.197 13.836 -1.817 1.00 13.14 O ATOM 0 H GLU A 839 12.888 14.689 -4.315 1.00 51.35 H new ATOM 0 HA GLU A 839 10.544 15.549 -5.915 1.00 4.13 H new ATOM 0 HB2 GLU A 839 9.399 13.540 -5.075 1.00 0.23 H new ATOM 0 HB3 GLU A 839 10.796 13.133 -6.052 1.00 0.23 H new ATOM 0 HG2 GLU A 839 10.898 11.707 -4.117 1.00 4.04 H new ATOM 0 HG3 GLU A 839 12.144 12.919 -3.892 1.00 4.04 H new ATOM 958 N ASP A 840 9.120 15.907 -3.748 1.00 51.43 N ATOM 959 CA ASP A 840 8.485 16.551 -2.611 1.00 55.53 C ATOM 960 C ASP A 840 9.135 17.916 -2.374 1.00 63.23 C ATOM 961 O ASP A 840 9.172 18.402 -1.245 1.00 52.32 O ATOM 962 CB ASP A 840 8.656 15.718 -1.340 1.00 4.54 C ATOM 963 CG ASP A 840 8.084 16.351 -0.070 1.00 15.12 C ATOM 964 OD1 ASP A 840 6.997 16.949 -0.088 1.00 61.41 O ATOM 965 OD2 ASP A 840 8.811 16.210 0.986 1.00 64.21 O ATOM 0 H ASP A 840 8.479 15.618 -4.487 1.00 51.43 H new ATOM 0 HA ASP A 840 7.423 16.656 -2.833 1.00 55.53 H new ATOM 0 HB2 ASP A 840 8.179 14.750 -1.492 1.00 4.54 H new ATOM 0 HB3 ASP A 840 9.719 15.530 -1.187 1.00 4.54 H new ATOM 971 N TYR A 841 9.633 18.495 -3.457 1.00 72.53 N ATOM 972 CA TYR A 841 10.280 19.793 -3.381 1.00 42.24 C ATOM 973 C TYR A 841 9.253 20.924 -3.469 1.00 61.13 C ATOM 974 O TYR A 841 9.434 21.980 -2.864 1.00 74.44 O ATOM 975 CB TYR A 841 11.212 19.871 -4.593 1.00 12.35 C ATOM 976 CG TYR A 841 10.521 19.587 -5.928 1.00 24.01 C ATOM 977 CD1 TYR A 841 9.878 20.605 -6.603 1.00 25.41 C ATOM 978 CD2 TYR A 841 10.542 18.313 -6.458 1.00 34.43 C ATOM 979 CE1 TYR A 841 9.229 20.337 -7.860 1.00 13.03 C ATOM 980 CE2 TYR A 841 9.892 18.045 -7.715 1.00 32.04 C ATOM 981 CZ TYR A 841 9.267 19.070 -8.354 1.00 4.44 C ATOM 982 OH TYR A 841 8.654 18.818 -9.541 1.00 33.44 O ATOM 0 H TYR A 841 9.601 18.088 -4.392 1.00 72.53 H new ATOM 0 HA TYR A 841 10.812 19.902 -2.436 1.00 42.24 H new ATOM 0 HB2 TYR A 841 11.659 20.864 -4.631 1.00 12.35 H new ATOM 0 HB3 TYR A 841 12.027 19.159 -4.459 1.00 12.35 H new ATOM 0 HD1 TYR A 841 9.862 21.602 -6.188 1.00 25.41 H new ATOM 0 HD2 TYR A 841 11.046 17.517 -5.930 1.00 34.43 H new ATOM 0 HE1 TYR A 841 8.723 21.124 -8.399 1.00 13.03 H new ATOM 0 HE2 TYR A 841 9.901 17.052 -8.141 1.00 32.04 H new ATOM 0 HH TYR A 841 8.462 19.664 -9.996 1.00 33.44 H new