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 118:sc= 0.161 USER MOD Set 1.2: A 841 TYR OH : rot 0:sc= -0.798 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ -127:sc= 0.637 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 814 LYS NZ :NH3+ -134:sc= -2.16! (180deg=-5.1!) USER MOD Single : A 826 TYR OH : rot 138:sc= 0.554 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.085 11.236 -6.396 1.00 71.41 N ATOM 64 CA GLY A 785 4.011 12.559 -6.991 1.00 12.44 C ATOM 65 C GLY A 785 4.925 12.663 -8.213 1.00 50.41 C ATOM 66 O GLY A 785 4.614 12.122 -9.273 1.00 23.32 O ATOM 0 HA2 GLY A 785 2.983 12.774 -7.282 1.00 12.44 H new ATOM 0 HA3 GLY A 785 4.297 13.310 -6.254 1.00 12.44 H new ATOM 70 N THR A 786 6.034 13.363 -8.025 1.00 1.30 N ATOM 71 CA THR A 786 6.996 13.545 -9.099 1.00 55.22 C ATOM 72 C THR A 786 8.389 13.812 -8.528 1.00 4.42 C ATOM 73 O THR A 786 8.552 13.947 -7.316 1.00 41.41 O ATOM 74 CB THR A 786 6.485 14.667 -10.005 1.00 40.25 C ATOM 75 OG1 THR A 786 5.930 15.618 -9.101 1.00 53.33 O ATOM 76 CG2 THR A 786 5.296 14.231 -10.864 1.00 41.12 C ATOM 0 H THR A 786 6.288 13.811 -7.145 1.00 1.30 H new ATOM 0 HA THR A 786 7.094 12.641 -9.700 1.00 55.22 H new ATOM 0 HB THR A 786 7.294 15.008 -10.651 1.00 40.25 H new ATOM 0 HG1 THR A 786 6.423 16.462 -9.171 1.00 53.33 H new ATOM 0 HG21 THR A 786 4.973 15.064 -11.488 1.00 41.12 H new ATOM 0 HG22 THR A 786 5.593 13.396 -11.499 1.00 41.12 H new ATOM 0 HG23 THR A 786 4.474 13.921 -10.218 1.00 41.12 H new ATOM 84 N ALA A 787 9.360 13.881 -9.427 1.00 74.35 N ATOM 85 CA ALA A 787 10.734 14.129 -9.028 1.00 44.31 C ATOM 86 C ALA A 787 11.423 14.985 -10.093 1.00 3.43 C ATOM 87 O ALA A 787 11.802 14.482 -11.149 1.00 50.34 O ATOM 88 CB ALA A 787 11.449 12.796 -8.800 1.00 70.20 C ATOM 0 H ALA A 787 9.222 13.769 -10.431 1.00 74.35 H new ATOM 0 HA ALA A 787 10.767 14.681 -8.089 1.00 44.31 H new ATOM 0 HB1 ALA A 787 12.480 12.983 -8.501 1.00 70.20 H new ATOM 0 HB2 ALA A 787 10.938 12.239 -8.015 1.00 70.20 H new ATOM 0 HB3 ALA A 787 11.439 12.215 -9.722 1.00 70.20 H new ATOM 94 N LYS A 788 11.565 16.264 -9.777 1.00 52.44 N ATOM 95 CA LYS A 788 12.202 17.195 -10.694 1.00 15.13 C ATOM 96 C LYS A 788 13.679 16.827 -10.842 1.00 42.43 C ATOM 97 O LYS A 788 14.388 16.677 -9.848 1.00 60.44 O ATOM 98 CB LYS A 788 11.969 18.638 -10.239 1.00 64.45 C ATOM 99 CG LYS A 788 12.523 19.631 -11.263 1.00 71.34 C ATOM 100 CD LYS A 788 12.156 21.068 -10.888 1.00 34.44 C ATOM 101 CE LYS A 788 11.894 21.911 -12.137 1.00 2.31 C ATOM 102 NZ LYS A 788 11.585 23.310 -11.763 1.00 23.53 N ATOM 0 H LYS A 788 11.250 16.678 -8.899 1.00 52.44 H new ATOM 0 HA LYS A 788 11.754 17.122 -11.685 1.00 15.13 H new ATOM 0 HB2 LYS A 788 10.902 18.811 -10.099 1.00 64.45 H new ATOM 0 HB3 LYS A 788 12.448 18.801 -9.273 1.00 64.45 H new ATOM 0 HG2 LYS A 788 13.607 19.532 -11.321 1.00 71.34 H new ATOM 0 HG3 LYS A 788 12.128 19.397 -12.252 1.00 71.34 H new ATOM 0 HD2 LYS A 788 11.270 21.067 -10.253 1.00 34.44 H new ATOM 0 HD3 LYS A 788 12.964 21.514 -10.307 1.00 34.44 H new ATOM 0 HE2 LYS A 788 12.767 21.887 -12.789 1.00 2.31 H new ATOM 0 HE3 LYS A 788 11.063 21.487 -12.701 1.00 2.31 H new ATOM 0 HZ1 LYS A 788 11.410 23.869 -12.623 1.00 23.53 H new ATOM 0 HZ2 LYS A 788 10.738 23.329 -11.159 1.00 23.53 H new ATOM 0 HZ3 LYS A 788 12.389 23.716 -11.244 1.00 23.53 H new ATOM 115 N ALA A 789 14.100 16.694 -12.091 1.00 61.25 N ATOM 116 CA ALA A 789 15.481 16.347 -12.383 1.00 34.40 C ATOM 117 C ALA A 789 16.369 17.571 -12.154 1.00 22.25 C ATOM 118 O ALA A 789 16.132 18.631 -12.729 1.00 54.44 O ATOM 119 CB ALA A 789 15.582 15.813 -13.813 1.00 72.42 C ATOM 0 H ALA A 789 13.509 16.820 -12.913 1.00 61.25 H new ATOM 0 HA ALA A 789 15.828 15.558 -11.715 1.00 34.40 H new ATOM 0 HB1 ALA A 789 16.618 15.553 -14.032 1.00 72.42 H new ATOM 0 HB2 ALA A 789 14.956 14.927 -13.916 1.00 72.42 H new ATOM 0 HB3 ALA A 789 15.245 16.578 -14.512 1.00 72.42 H new ATOM 125 N ARG A 790 17.374 17.383 -11.311 1.00 3.10 N ATOM 126 CA ARG A 790 18.300 18.459 -10.998 1.00 74.12 C ATOM 127 C ARG A 790 19.574 18.322 -11.834 1.00 2.45 C ATOM 128 O ARG A 790 20.497 19.125 -11.700 1.00 71.30 O ATOM 129 CB ARG A 790 18.668 18.454 -9.513 1.00 42.03 C ATOM 130 CG ARG A 790 17.433 18.690 -8.641 1.00 45.21 C ATOM 131 CD ARG A 790 17.060 20.174 -8.610 1.00 31.43 C ATOM 132 NE ARG A 790 17.909 20.889 -7.631 1.00 64.24 N ATOM 133 CZ ARG A 790 17.920 22.230 -7.476 1.00 31.20 C ATOM 134 NH1 ARG A 790 17.125 23.014 -8.235 1.00 62.21 N ATOM 135 NH2 ARG A 790 18.719 22.763 -6.571 1.00 21.13 N ATOM 0 H ARG A 790 17.567 16.502 -10.835 1.00 3.10 H new ATOM 0 HA ARG A 790 17.806 19.402 -11.234 1.00 74.12 H new ATOM 0 HB2 ARG A 790 19.125 17.500 -9.251 1.00 42.03 H new ATOM 0 HB3 ARG A 790 19.410 19.228 -9.316 1.00 42.03 H new ATOM 0 HG2 ARG A 790 16.595 18.109 -9.026 1.00 45.21 H new ATOM 0 HG3 ARG A 790 17.626 18.339 -7.627 1.00 45.21 H new ATOM 0 HD2 ARG A 790 17.187 20.610 -9.601 1.00 31.43 H new ATOM 0 HD3 ARG A 790 16.009 20.288 -8.344 1.00 31.43 H new ATOM 0 HE ARG A 790 18.524 20.334 -7.036 1.00 64.24 H new ATOM 0 HH11 ARG A 790 16.510 22.594 -8.932 1.00 62.21 H new ATOM 0 HH12 ARG A 790 17.139 24.026 -8.111 1.00 62.21 H new ATOM 0 HH21 ARG A 790 19.316 22.163 -6.001 1.00 21.13 H new ATOM 0 HH22 ARG A 790 18.740 23.774 -6.441 1.00 21.13 H new ATOM 148 N TYR A 791 19.584 17.300 -12.677 1.00 4.44 N ATOM 149 CA TYR A 791 20.731 17.048 -13.533 1.00 54.55 C ATOM 150 C TYR A 791 20.340 16.178 -14.729 1.00 62.34 C ATOM 151 O TYR A 791 19.733 15.121 -14.561 1.00 10.42 O ATOM 152 CB TYR A 791 21.742 16.288 -12.673 1.00 14.43 C ATOM 153 CG TYR A 791 22.115 17.004 -11.373 1.00 52.11 C ATOM 154 CD1 TYR A 791 23.166 17.898 -11.355 1.00 24.43 C ATOM 155 CD2 TYR A 791 21.400 16.756 -10.219 1.00 13.22 C ATOM 156 CE1 TYR A 791 23.518 18.571 -10.131 1.00 53.24 C ATOM 157 CE2 TYR A 791 21.751 17.430 -8.996 1.00 20.25 C ATOM 158 CZ TYR A 791 22.793 18.304 -9.012 1.00 53.12 C ATOM 159 OH TYR A 791 23.124 18.940 -7.857 1.00 4.31 O ATOM 0 H TYR A 791 18.817 16.637 -12.786 1.00 4.44 H new ATOM 0 HA TYR A 791 21.134 17.984 -13.921 1.00 54.55 H new ATOM 0 HB2 TYR A 791 21.333 15.307 -12.431 1.00 14.43 H new ATOM 0 HB3 TYR A 791 22.647 16.121 -13.257 1.00 14.43 H new ATOM 0 HD1 TYR A 791 23.725 18.093 -12.258 1.00 24.43 H new ATOM 0 HD2 TYR A 791 20.577 16.056 -10.233 1.00 13.22 H new ATOM 0 HE1 TYR A 791 24.339 19.272 -10.103 1.00 53.24 H new ATOM 0 HE2 TYR A 791 21.199 17.246 -8.086 1.00 20.25 H new ATOM 0 HH TYR A 791 22.520 18.653 -7.141 1.00 4.31 H new ATOM 169 N ASP A 792 20.705 16.653 -15.911 1.00 50.20 N ATOM 170 CA ASP A 792 20.401 15.931 -17.135 1.00 15.23 C ATOM 171 C ASP A 792 21.167 14.607 -17.145 1.00 5.41 C ATOM 172 O ASP A 792 22.390 14.595 -17.282 1.00 52.00 O ATOM 173 CB ASP A 792 20.824 16.733 -18.367 1.00 65.30 C ATOM 174 CG ASP A 792 20.691 18.251 -18.229 1.00 21.54 C ATOM 175 OD1 ASP A 792 19.580 18.784 -18.088 1.00 65.14 O ATOM 176 OD2 ASP A 792 21.804 18.902 -18.270 1.00 30.40 O ATOM 0 H ASP A 792 21.209 17.529 -16.047 1.00 50.20 H new ATOM 0 HA ASP A 792 19.325 15.761 -17.168 1.00 15.23 H new ATOM 0 HB2 ASP A 792 21.862 16.494 -18.598 1.00 65.30 H new ATOM 0 HB3 ASP A 792 20.225 16.407 -19.217 1.00 65.30 H new ATOM 182 N PHE A 793 20.418 13.525 -16.998 1.00 71.20 N ATOM 183 CA PHE A 793 21.012 12.199 -16.989 1.00 31.24 C ATOM 184 C PHE A 793 20.873 11.526 -18.356 1.00 32.13 C ATOM 185 O PHE A 793 19.768 11.406 -18.883 1.00 40.52 O ATOM 186 CB PHE A 793 20.251 11.375 -15.948 1.00 54.11 C ATOM 187 CG PHE A 793 21.094 10.290 -15.275 1.00 72.03 C ATOM 188 CD1 PHE A 793 22.366 10.564 -14.882 1.00 24.01 C ATOM 189 CD2 PHE A 793 20.570 9.051 -15.071 1.00 4.55 C ATOM 190 CE1 PHE A 793 23.149 9.557 -14.257 1.00 71.03 C ATOM 191 CE2 PHE A 793 21.353 8.044 -14.446 1.00 51.51 C ATOM 192 CZ PHE A 793 22.626 8.318 -14.053 1.00 14.44 C ATOM 0 H PHE A 793 19.404 13.539 -16.884 1.00 71.20 H new ATOM 0 HA PHE A 793 22.074 12.269 -16.755 1.00 31.24 H new ATOM 0 HB2 PHE A 793 19.862 12.046 -15.182 1.00 54.11 H new ATOM 0 HB3 PHE A 793 19.391 10.907 -16.428 1.00 54.11 H new ATOM 0 HD1 PHE A 793 22.781 11.547 -15.045 1.00 24.01 H new ATOM 0 HD2 PHE A 793 19.560 8.833 -15.384 1.00 4.55 H new ATOM 0 HE1 PHE A 793 24.159 9.775 -13.944 1.00 71.03 H new ATOM 0 HE2 PHE A 793 20.937 7.061 -14.283 1.00 51.51 H new ATOM 0 HZ PHE A 793 23.222 7.552 -13.579 1.00 14.44 H new ATOM 202 N CYS A 794 22.009 11.104 -18.890 1.00 62.23 N ATOM 203 CA CYS A 794 22.028 10.446 -20.186 1.00 10.12 C ATOM 204 C CYS A 794 21.919 8.937 -19.960 1.00 32.21 C ATOM 205 O CYS A 794 22.829 8.321 -19.408 1.00 21.23 O ATOM 206 CB CYS A 794 23.277 10.814 -20.989 1.00 1.11 C ATOM 207 SG CYS A 794 23.196 12.568 -21.504 1.00 54.21 S ATOM 0 H CYS A 794 22.923 11.205 -18.449 1.00 62.23 H new ATOM 0 HA CYS A 794 21.180 10.785 -20.781 1.00 10.12 H new ATOM 0 HB2 CYS A 794 24.170 10.644 -20.387 1.00 1.11 H new ATOM 0 HB3 CYS A 794 23.357 10.172 -21.866 1.00 1.11 H new ATOM 0 HG CYS A 794 24.262 12.871 -22.183 1.00 54.21 H new ATOM 213 N ALA A 795 20.797 8.385 -20.398 1.00 61.33 N ATOM 214 CA ALA A 795 20.557 6.959 -20.251 1.00 2.12 C ATOM 215 C ALA A 795 21.442 6.193 -21.236 1.00 70.11 C ATOM 216 O ALA A 795 21.158 6.157 -22.432 1.00 42.05 O ATOM 217 CB ALA A 795 19.069 6.668 -20.455 1.00 62.11 C ATOM 0 H ALA A 795 20.044 8.899 -20.855 1.00 61.33 H new ATOM 0 HA ALA A 795 20.819 6.627 -19.246 1.00 2.12 H new ATOM 0 HB1 ALA A 795 18.889 5.599 -20.345 1.00 62.11 H new ATOM 0 HB2 ALA A 795 18.487 7.213 -19.712 1.00 62.11 H new ATOM 0 HB3 ALA A 795 18.770 6.985 -21.454 1.00 62.11 H new ATOM 223 N ARG A 796 22.496 5.599 -20.697 1.00 23.32 N ATOM 224 CA ARG A 796 23.424 4.835 -21.514 1.00 4.34 C ATOM 225 C ARG A 796 22.809 3.488 -21.898 1.00 2.12 C ATOM 226 O ARG A 796 23.176 2.902 -22.915 1.00 74.12 O ATOM 227 CB ARG A 796 24.741 4.594 -20.772 1.00 52.12 C ATOM 228 CG ARG A 796 24.547 3.611 -19.616 1.00 34.10 C ATOM 229 CD ARG A 796 25.841 3.440 -18.819 1.00 22.25 C ATOM 230 NE ARG A 796 26.926 2.971 -19.709 1.00 41.03 N ATOM 231 CZ ARG A 796 28.240 3.160 -19.465 1.00 64.25 C ATOM 232 NH1 ARG A 796 28.644 3.811 -18.354 1.00 24.21 N ATOM 233 NH2 ARG A 796 29.125 2.698 -20.330 1.00 55.53 N ATOM 0 H ARG A 796 22.728 5.631 -19.704 1.00 23.32 H new ATOM 0 HA ARG A 796 23.628 5.415 -22.414 1.00 4.34 H new ATOM 0 HB2 ARG A 796 25.487 4.204 -21.465 1.00 52.12 H new ATOM 0 HB3 ARG A 796 25.125 5.540 -20.389 1.00 52.12 H new ATOM 0 HG2 ARG A 796 23.755 3.969 -18.958 1.00 34.10 H new ATOM 0 HG3 ARG A 796 24.225 2.645 -20.005 1.00 34.10 H new ATOM 0 HD2 ARG A 796 26.122 4.387 -18.358 1.00 22.25 H new ATOM 0 HD3 ARG A 796 25.688 2.725 -18.011 1.00 22.25 H new ATOM 0 HE ARG A 796 26.665 2.474 -20.560 1.00 41.03 H new ATOM 0 HH11 ARG A 796 27.954 4.165 -17.691 1.00 24.21 H new ATOM 0 HH12 ARG A 796 29.639 3.949 -18.177 1.00 24.21 H new ATOM 0 HH21 ARG A 796 28.812 2.207 -21.167 1.00 55.53 H new ATOM 0 HH22 ARG A 796 30.122 2.832 -20.161 1.00 55.53 H new ATOM 246 N ASP A 797 21.884 3.037 -21.063 1.00 64.54 N ATOM 247 CA ASP A 797 21.215 1.769 -21.303 1.00 12.40 C ATOM 248 C ASP A 797 19.704 1.960 -21.157 1.00 12.33 C ATOM 249 O ASP A 797 19.248 3.006 -20.695 1.00 64.35 O ATOM 250 CB ASP A 797 21.658 0.712 -20.290 1.00 0.11 C ATOM 251 CG ASP A 797 21.524 -0.736 -20.766 1.00 2.22 C ATOM 252 OD1 ASP A 797 22.416 -1.271 -21.442 1.00 14.05 O ATOM 253 OD2 ASP A 797 20.434 -1.328 -20.411 1.00 4.23 O ATOM 0 H ASP A 797 21.582 3.526 -20.220 1.00 64.54 H new ATOM 0 HA ASP A 797 21.474 1.436 -22.308 1.00 12.40 H new ATOM 0 HB2 ASP A 797 22.699 0.897 -20.026 1.00 0.11 H new ATOM 0 HB3 ASP A 797 21.072 0.835 -19.379 1.00 0.11 H new ATOM 259 N ARG A 798 18.968 0.934 -21.558 1.00 64.01 N ATOM 260 CA ARG A 798 17.518 0.976 -21.477 1.00 61.45 C ATOM 261 C ARG A 798 17.061 0.782 -20.030 1.00 42.22 C ATOM 262 O ARG A 798 15.870 0.866 -19.735 1.00 71.52 O ATOM 263 CB ARG A 798 16.887 -0.108 -22.354 1.00 34.14 C ATOM 264 CG ARG A 798 17.403 -0.021 -23.791 1.00 61.11 C ATOM 265 CD ARG A 798 17.090 -1.303 -24.565 1.00 20.42 C ATOM 266 NE ARG A 798 15.687 -1.281 -25.035 1.00 32.24 N ATOM 267 CZ ARG A 798 15.086 -2.308 -25.672 1.00 73.31 C ATOM 268 NH1 ARG A 798 15.762 -3.450 -25.922 1.00 10.23 N ATOM 269 NH2 ARG A 798 13.827 -2.180 -26.048 1.00 11.41 N ATOM 0 H ARG A 798 19.349 0.068 -21.940 1.00 64.01 H new ATOM 0 HA ARG A 798 17.194 1.953 -21.836 1.00 61.45 H new ATOM 0 HB2 ARG A 798 17.113 -1.091 -21.942 1.00 34.14 H new ATOM 0 HB3 ARG A 798 15.802 -0.001 -22.346 1.00 34.14 H new ATOM 0 HG2 ARG A 798 16.947 0.832 -24.294 1.00 61.11 H new ATOM 0 HG3 ARG A 798 18.479 0.151 -23.785 1.00 61.11 H new ATOM 0 HD2 ARG A 798 17.765 -1.398 -25.415 1.00 20.42 H new ATOM 0 HD3 ARG A 798 17.255 -2.172 -23.928 1.00 20.42 H new ATOM 0 HE ARG A 798 15.140 -0.437 -24.867 1.00 32.24 H new ATOM 0 HH11 ARG A 798 16.735 -3.541 -25.629 1.00 10.23 H new ATOM 0 HH12 ARG A 798 15.300 -4.221 -26.404 1.00 10.23 H new ATOM 0 HH21 ARG A 798 13.323 -1.314 -25.856 1.00 11.41 H new ATOM 0 HH22 ARG A 798 13.358 -2.947 -26.530 1.00 11.41 H new ATOM 282 N SER A 799 18.032 0.528 -19.166 1.00 23.34 N ATOM 283 CA SER A 799 17.745 0.322 -17.756 1.00 73.12 C ATOM 284 C SER A 799 17.749 1.663 -17.020 1.00 5.01 C ATOM 285 O SER A 799 17.317 1.746 -15.871 1.00 40.34 O ATOM 286 CB SER A 799 18.756 -0.636 -17.122 1.00 14.50 C ATOM 287 OG SER A 799 20.077 -0.102 -17.135 1.00 11.14 O ATOM 0 H SER A 799 19.019 0.460 -19.415 1.00 23.34 H new ATOM 0 HA SER A 799 16.756 -0.129 -17.670 1.00 73.12 H new ATOM 0 HB2 SER A 799 18.460 -0.847 -16.094 1.00 14.50 H new ATOM 0 HB3 SER A 799 18.743 -1.585 -17.659 1.00 14.50 H new ATOM 0 HG SER A 799 20.693 -0.742 -16.720 1.00 11.14 H new ATOM 293 N GLU A 800 18.243 2.680 -17.711 1.00 65.52 N ATOM 294 CA GLU A 800 18.310 4.013 -17.137 1.00 63.24 C ATOM 295 C GLU A 800 17.191 4.890 -17.701 1.00 35.01 C ATOM 296 O GLU A 800 16.668 4.618 -18.781 1.00 1.23 O ATOM 297 CB GLU A 800 19.680 4.648 -17.383 1.00 64.45 C ATOM 298 CG GLU A 800 19.734 6.070 -16.822 1.00 45.05 C ATOM 299 CD GLU A 800 21.167 6.608 -16.830 1.00 12.15 C ATOM 300 OE1 GLU A 800 22.085 5.932 -16.342 1.00 42.51 O ATOM 301 OE2 GLU A 800 21.309 7.772 -17.367 1.00 2.22 O ATOM 0 H GLU A 800 18.601 2.607 -18.663 1.00 65.52 H new ATOM 0 HA GLU A 800 18.173 3.930 -16.059 1.00 63.24 H new ATOM 0 HB2 GLU A 800 20.456 4.040 -16.917 1.00 64.45 H new ATOM 0 HB3 GLU A 800 19.889 4.667 -18.453 1.00 64.45 H new ATOM 0 HG2 GLU A 800 19.093 6.723 -17.414 1.00 45.05 H new ATOM 0 HG3 GLU A 800 19.344 6.078 -15.804 1.00 45.05 H new ATOM 309 N LEU A 801 16.855 5.924 -16.944 1.00 51.41 N ATOM 310 CA LEU A 801 15.807 6.843 -17.355 1.00 13.15 C ATOM 311 C LEU A 801 16.441 8.137 -17.868 1.00 40.24 C ATOM 312 O LEU A 801 17.419 8.621 -17.301 1.00 1.21 O ATOM 313 CB LEU A 801 14.807 7.058 -16.217 1.00 12.05 C ATOM 314 CG LEU A 801 13.346 7.243 -16.633 1.00 62.10 C ATOM 315 CD1 LEU A 801 12.462 7.533 -15.418 1.00 43.25 C ATOM 316 CD2 LEU A 801 13.215 8.323 -17.709 1.00 2.25 C ATOM 0 H LEU A 801 17.290 6.146 -16.048 1.00 51.41 H new ATOM 0 HA LEU A 801 15.232 6.421 -18.179 1.00 13.15 H new ATOM 0 HB2 LEU A 801 14.866 6.204 -15.542 1.00 12.05 H new ATOM 0 HB3 LEU A 801 15.116 7.936 -15.649 1.00 12.05 H new ATOM 0 HG LEU A 801 12.994 6.309 -17.070 1.00 62.10 H new ATOM 0 HD11 LEU A 801 11.429 7.660 -15.742 1.00 43.25 H new ATOM 0 HD12 LEU A 801 12.523 6.701 -14.717 1.00 43.25 H new ATOM 0 HD13 LEU A 801 12.804 8.445 -14.929 1.00 43.25 H new ATOM 0 HD21 LEU A 801 12.167 8.435 -17.987 1.00 2.25 H new ATOM 0 HD22 LEU A 801 13.591 9.270 -17.322 1.00 2.25 H new ATOM 0 HD23 LEU A 801 13.794 8.035 -18.586 1.00 2.25 H new ATOM 328 N SER A 802 15.858 8.661 -18.937 1.00 22.51 N ATOM 329 CA SER A 802 16.354 9.889 -19.534 1.00 3.03 C ATOM 330 C SER A 802 15.865 11.096 -18.730 1.00 60.33 C ATOM 331 O SER A 802 14.672 11.395 -18.717 1.00 31.43 O ATOM 332 CB SER A 802 15.913 10.009 -20.994 1.00 2.33 C ATOM 333 OG SER A 802 16.599 11.057 -21.674 1.00 62.21 O ATOM 0 H SER A 802 15.047 8.257 -19.405 1.00 22.51 H new ATOM 0 HA SER A 802 17.444 9.864 -19.513 1.00 3.03 H new ATOM 0 HB2 SER A 802 16.095 9.064 -21.507 1.00 2.33 H new ATOM 0 HB3 SER A 802 14.839 10.192 -21.035 1.00 2.33 H new ATOM 0 HG SER A 802 16.291 11.100 -22.603 1.00 62.21 H new ATOM 339 N LEU A 803 16.812 11.757 -18.080 1.00 74.42 N ATOM 340 CA LEU A 803 16.492 12.924 -17.276 1.00 40.13 C ATOM 341 C LEU A 803 16.979 14.183 -17.997 1.00 24.24 C ATOM 342 O LEU A 803 17.857 14.110 -18.856 1.00 12.33 O ATOM 343 CB LEU A 803 17.052 12.770 -15.861 1.00 21.41 C ATOM 344 CG LEU A 803 16.178 11.993 -14.875 1.00 33.43 C ATOM 345 CD1 LEU A 803 15.394 10.889 -15.588 1.00 52.53 C ATOM 346 CD2 LEU A 803 17.013 11.444 -13.716 1.00 14.54 C ATOM 0 H LEU A 803 17.801 11.506 -18.094 1.00 74.42 H new ATOM 0 HA LEU A 803 15.413 13.021 -17.157 1.00 40.13 H new ATOM 0 HB2 LEU A 803 18.020 12.274 -15.927 1.00 21.41 H new ATOM 0 HB3 LEU A 803 17.231 13.764 -15.452 1.00 21.41 H new ATOM 0 HG LEU A 803 15.449 12.683 -14.449 1.00 33.43 H new ATOM 0 HD11 LEU A 803 14.781 10.352 -14.864 1.00 52.53 H new ATOM 0 HD12 LEU A 803 14.752 11.332 -16.349 1.00 52.53 H new ATOM 0 HD13 LEU A 803 16.090 10.195 -16.059 1.00 52.53 H new ATOM 0 HD21 LEU A 803 16.367 10.896 -13.030 1.00 14.54 H new ATOM 0 HD22 LEU A 803 17.780 10.774 -14.105 1.00 14.54 H new ATOM 0 HD23 LEU A 803 17.487 12.270 -13.186 1.00 14.54 H new ATOM 358 N LYS A 804 16.389 15.308 -17.620 1.00 21.51 N ATOM 359 CA LYS A 804 16.752 16.580 -18.219 1.00 42.52 C ATOM 360 C LYS A 804 16.351 17.716 -17.276 1.00 53.30 C ATOM 361 O LYS A 804 15.164 17.950 -17.049 1.00 64.35 O ATOM 362 CB LYS A 804 16.151 16.704 -19.621 1.00 23.51 C ATOM 363 CG LYS A 804 17.056 17.533 -20.534 1.00 40.14 C ATOM 364 CD LYS A 804 16.647 19.007 -20.519 1.00 53.34 C ATOM 365 CE LYS A 804 17.798 19.901 -20.985 1.00 61.33 C ATOM 366 NZ LYS A 804 17.447 21.329 -20.816 1.00 62.51 N ATOM 0 H LYS A 804 15.662 15.364 -16.907 1.00 21.51 H new ATOM 0 HA LYS A 804 17.832 16.643 -18.354 1.00 42.52 H new ATOM 0 HB2 LYS A 804 16.008 15.712 -20.048 1.00 23.51 H new ATOM 0 HB3 LYS A 804 15.167 17.169 -19.559 1.00 23.51 H new ATOM 0 HG2 LYS A 804 18.092 17.436 -20.210 1.00 40.14 H new ATOM 0 HG3 LYS A 804 17.003 17.147 -21.552 1.00 40.14 H new ATOM 0 HD2 LYS A 804 15.782 19.155 -21.166 1.00 53.34 H new ATOM 0 HD3 LYS A 804 16.344 19.294 -19.512 1.00 53.34 H new ATOM 0 HE2 LYS A 804 18.698 19.672 -20.415 1.00 61.33 H new ATOM 0 HE3 LYS A 804 18.024 19.697 -22.032 1.00 61.33 H new ATOM 0 HZ1 LYS A 804 18.239 21.922 -21.137 1.00 62.51 H new ATOM 0 HZ2 LYS A 804 16.601 21.547 -21.379 1.00 62.51 H new ATOM 0 HZ3 LYS A 804 17.254 21.523 -19.813 1.00 62.51 H new ATOM 379 N GLU A 805 17.362 18.393 -16.752 1.00 21.54 N ATOM 380 CA GLU A 805 17.129 19.498 -15.838 1.00 44.30 C ATOM 381 C GLU A 805 15.921 20.318 -16.294 1.00 52.21 C ATOM 382 O GLU A 805 15.805 20.658 -17.471 1.00 33.44 O ATOM 383 CB GLU A 805 18.374 20.379 -15.715 1.00 24.12 C ATOM 384 CG GLU A 805 19.328 19.835 -14.649 1.00 34.31 C ATOM 385 CD GLU A 805 20.785 20.102 -15.029 1.00 4.40 C ATOM 386 OE1 GLU A 805 21.618 20.361 -14.148 1.00 3.34 O ATOM 387 OE2 GLU A 805 21.041 20.033 -16.291 1.00 62.14 O ATOM 0 H GLU A 805 18.345 18.198 -16.943 1.00 21.54 H new ATOM 0 HA GLU A 805 16.914 19.089 -14.851 1.00 44.30 H new ATOM 0 HB2 GLU A 805 18.886 20.427 -16.676 1.00 24.12 H new ATOM 0 HB3 GLU A 805 18.080 21.397 -15.459 1.00 24.12 H new ATOM 0 HG2 GLU A 805 19.108 20.300 -13.688 1.00 34.31 H new ATOM 0 HG3 GLU A 805 19.171 18.763 -14.528 1.00 34.31 H new ATOM 395 N GLY A 806 15.051 20.613 -15.339 1.00 23.22 N ATOM 396 CA GLY A 806 13.856 21.387 -15.628 1.00 32.44 C ATOM 397 C GLY A 806 12.662 20.470 -15.900 1.00 34.45 C ATOM 398 O GLY A 806 11.517 20.920 -15.905 1.00 40.11 O ATOM 0 H GLY A 806 15.150 20.330 -14.364 1.00 23.22 H new ATOM 0 HA2 GLY A 806 13.631 22.043 -14.787 1.00 32.44 H new ATOM 0 HA3 GLY A 806 14.033 22.026 -16.493 1.00 32.44 H new ATOM 402 N ASP A 807 12.969 19.200 -16.118 1.00 62.44 N ATOM 403 CA ASP A 807 11.936 18.215 -16.390 1.00 55.34 C ATOM 404 C ASP A 807 11.511 17.553 -15.078 1.00 73.55 C ATOM 405 O ASP A 807 12.229 17.623 -14.082 1.00 55.32 O ATOM 406 CB ASP A 807 12.450 17.121 -17.328 1.00 12.21 C ATOM 407 CG ASP A 807 12.751 17.582 -18.756 1.00 35.34 C ATOM 408 OD1 ASP A 807 12.717 18.783 -19.059 1.00 43.44 O ATOM 409 OD2 ASP A 807 13.032 16.635 -19.586 1.00 2.32 O ATOM 0 H ASP A 807 13.919 18.830 -16.112 1.00 62.44 H new ATOM 0 HA ASP A 807 11.097 18.728 -16.861 1.00 55.34 H new ATOM 0 HB2 ASP A 807 13.358 16.694 -16.901 1.00 12.21 H new ATOM 0 HB3 ASP A 807 11.710 16.321 -17.369 1.00 12.21 H new ATOM 415 N ILE A 808 10.345 16.923 -15.121 1.00 4.43 N ATOM 416 CA ILE A 808 9.816 16.248 -13.948 1.00 4.53 C ATOM 417 C ILE A 808 9.722 14.747 -14.227 1.00 43.25 C ATOM 418 O ILE A 808 9.287 14.339 -15.303 1.00 35.33 O ATOM 419 CB ILE A 808 8.489 16.879 -13.520 1.00 24.42 C ATOM 420 CG1 ILE A 808 7.740 17.449 -14.725 1.00 55.23 C ATOM 421 CG2 ILE A 808 8.708 17.930 -12.430 1.00 41.54 C ATOM 422 CD1 ILE A 808 8.324 18.799 -15.146 1.00 1.11 C ATOM 0 H ILE A 808 9.753 16.866 -15.949 1.00 4.43 H new ATOM 0 HA ILE A 808 10.490 16.373 -13.100 1.00 4.53 H new ATOM 0 HB ILE A 808 7.861 16.098 -13.091 1.00 24.42 H new ATOM 0 HG12 ILE A 808 7.798 16.748 -15.558 1.00 55.23 H new ATOM 0 HG13 ILE A 808 6.685 17.566 -14.479 1.00 55.23 H new ATOM 0 HG21 ILE A 808 7.749 18.363 -12.144 1.00 41.54 H new ATOM 0 HG22 ILE A 808 9.169 17.462 -11.560 1.00 41.54 H new ATOM 0 HG23 ILE A 808 9.362 18.715 -12.808 1.00 41.54 H new ATOM 0 HD11 ILE A 808 7.773 19.182 -16.005 1.00 1.11 H new ATOM 0 HD12 ILE A 808 8.243 19.504 -14.319 1.00 1.11 H new ATOM 0 HD13 ILE A 808 9.373 18.674 -15.414 1.00 1.11 H new ATOM 434 N ILE A 809 10.138 13.967 -13.241 1.00 21.30 N ATOM 435 CA ILE A 809 10.106 12.519 -13.367 1.00 42.55 C ATOM 436 C ILE A 809 8.906 11.971 -12.594 1.00 33.41 C ATOM 437 O ILE A 809 8.859 12.060 -11.368 1.00 51.31 O ATOM 438 CB ILE A 809 11.444 11.914 -12.937 1.00 50.40 C ATOM 439 CG1 ILE A 809 12.463 11.970 -14.077 1.00 1.41 C ATOM 440 CG2 ILE A 809 11.257 10.492 -12.405 1.00 54.20 C ATOM 441 CD1 ILE A 809 13.130 13.346 -14.149 1.00 71.42 C ATOM 0 H ILE A 809 10.499 14.310 -12.351 1.00 21.30 H new ATOM 0 HA ILE A 809 9.973 12.230 -14.409 1.00 42.55 H new ATOM 0 HB ILE A 809 11.843 12.514 -12.119 1.00 50.40 H new ATOM 0 HG12 ILE A 809 13.222 11.201 -13.930 1.00 1.41 H new ATOM 0 HG13 ILE A 809 11.968 11.752 -15.023 1.00 1.41 H new ATOM 0 HG21 ILE A 809 12.223 10.085 -12.106 1.00 54.20 H new ATOM 0 HG22 ILE A 809 10.589 10.511 -11.544 1.00 54.20 H new ATOM 0 HG23 ILE A 809 10.825 9.865 -13.185 1.00 54.20 H new ATOM 0 HD11 ILE A 809 13.850 13.359 -14.967 1.00 71.42 H new ATOM 0 HD12 ILE A 809 12.371 14.110 -14.321 1.00 71.42 H new ATOM 0 HD13 ILE A 809 13.645 13.550 -13.210 1.00 71.42 H new ATOM 453 N LYS A 810 7.964 11.414 -13.342 1.00 44.31 N ATOM 454 CA LYS A 810 6.767 10.851 -12.742 1.00 30.10 C ATOM 455 C LYS A 810 7.143 9.604 -11.938 1.00 54.24 C ATOM 456 O LYS A 810 7.604 8.613 -12.503 1.00 3.54 O ATOM 457 CB LYS A 810 5.701 10.596 -13.810 1.00 4.10 C ATOM 458 CG LYS A 810 4.556 9.750 -13.251 1.00 31.04 C ATOM 459 CD LYS A 810 4.138 10.241 -11.863 1.00 40.32 C ATOM 460 CE LYS A 810 2.631 10.076 -11.654 1.00 5.41 C ATOM 461 NZ LYS A 810 2.169 10.920 -10.529 1.00 60.02 N ATOM 0 H LYS A 810 8.006 11.341 -14.359 1.00 44.31 H new ATOM 0 HA LYS A 810 6.322 11.559 -12.043 1.00 30.10 H new ATOM 0 HB2 LYS A 810 5.311 11.547 -14.174 1.00 4.10 H new ATOM 0 HB3 LYS A 810 6.150 10.088 -14.663 1.00 4.10 H new ATOM 0 HG2 LYS A 810 3.703 9.793 -13.928 1.00 31.04 H new ATOM 0 HG3 LYS A 810 4.865 8.706 -13.194 1.00 31.04 H new ATOM 0 HD2 LYS A 810 4.678 9.683 -11.098 1.00 40.32 H new ATOM 0 HD3 LYS A 810 4.412 11.289 -11.746 1.00 40.32 H new ATOM 0 HE2 LYS A 810 2.099 10.351 -12.565 1.00 5.41 H new ATOM 0 HE3 LYS A 810 2.398 9.031 -11.452 1.00 5.41 H new ATOM 0 HZ1 LYS A 810 1.643 10.335 -9.849 1.00 60.02 H new ATOM 0 HZ2 LYS A 810 2.990 11.347 -10.055 1.00 60.02 H new ATOM 0 HZ3 LYS A 810 1.549 11.672 -10.891 1.00 60.02 H new ATOM 474 N ILE A 811 6.931 9.694 -10.634 1.00 13.23 N ATOM 475 CA ILE A 811 7.241 8.586 -9.747 1.00 24.12 C ATOM 476 C ILE A 811 6.132 7.537 -9.841 1.00 35.14 C ATOM 477 O ILE A 811 4.950 7.877 -9.847 1.00 14.41 O ATOM 478 CB ILE A 811 7.491 9.092 -8.325 1.00 21.55 C ATOM 479 CG1 ILE A 811 8.462 10.274 -8.326 1.00 11.24 C ATOM 480 CG2 ILE A 811 7.970 7.958 -7.416 1.00 21.42 C ATOM 481 CD1 ILE A 811 9.910 9.795 -8.442 1.00 21.44 C ATOM 0 H ILE A 811 6.548 10.518 -10.170 1.00 13.23 H new ATOM 0 HA ILE A 811 8.167 8.099 -10.054 1.00 24.12 H new ATOM 0 HB ILE A 811 6.545 9.453 -7.920 1.00 21.55 H new ATOM 0 HG12 ILE A 811 8.228 10.940 -9.156 1.00 11.24 H new ATOM 0 HG13 ILE A 811 8.339 10.851 -7.410 1.00 11.24 H new ATOM 0 HG21 ILE A 811 8.140 8.344 -6.411 1.00 21.42 H new ATOM 0 HG22 ILE A 811 7.212 7.176 -7.380 1.00 21.42 H new ATOM 0 HG23 ILE A 811 8.899 7.545 -7.808 1.00 21.42 H new ATOM 0 HD11 ILE A 811 10.579 10.655 -8.440 1.00 21.44 H new ATOM 0 HD12 ILE A 811 10.148 9.149 -7.597 1.00 21.44 H new ATOM 0 HD13 ILE A 811 10.036 9.239 -9.371 1.00 21.44 H new ATOM 493 N LEU A 812 6.551 6.282 -9.911 1.00 45.31 N ATOM 494 CA LEU A 812 5.608 5.181 -10.004 1.00 52.32 C ATOM 495 C LEU A 812 5.912 4.161 -8.906 1.00 34.52 C ATOM 496 O LEU A 812 5.006 3.704 -8.210 1.00 11.01 O ATOM 497 CB LEU A 812 5.615 4.588 -11.414 1.00 75.34 C ATOM 498 CG LEU A 812 5.801 5.584 -12.561 1.00 33.04 C ATOM 499 CD1 LEU A 812 6.519 4.931 -13.743 1.00 51.12 C ATOM 500 CD2 LEU A 812 4.463 6.202 -12.973 1.00 21.13 C ATOM 0 H LEU A 812 7.532 6.003 -9.905 1.00 45.31 H new ATOM 0 HA LEU A 812 4.591 5.535 -9.837 1.00 52.32 H new ATOM 0 HB2 LEU A 812 6.412 3.846 -11.471 1.00 75.34 H new ATOM 0 HB3 LEU A 812 4.675 4.058 -11.568 1.00 75.34 H new ATOM 0 HG LEU A 812 6.436 6.397 -12.208 1.00 33.04 H new ATOM 0 HD11 LEU A 812 6.638 5.660 -14.544 1.00 51.12 H new ATOM 0 HD12 LEU A 812 7.500 4.579 -13.424 1.00 51.12 H new ATOM 0 HD13 LEU A 812 5.931 4.087 -14.105 1.00 51.12 H new ATOM 0 HD21 LEU A 812 4.623 6.906 -13.790 1.00 21.13 H new ATOM 0 HD22 LEU A 812 3.784 5.415 -13.301 1.00 21.13 H new ATOM 0 HD23 LEU A 812 4.027 6.726 -12.123 1.00 21.13 H new ATOM 512 N ASN A 813 7.189 3.832 -8.785 1.00 5.25 N ATOM 513 CA ASN A 813 7.624 2.874 -7.783 1.00 21.24 C ATOM 514 C ASN A 813 8.887 3.398 -7.096 1.00 62.52 C ATOM 515 O ASN A 813 9.754 3.982 -7.745 1.00 32.40 O ATOM 516 CB ASN A 813 7.958 1.524 -8.420 1.00 73.40 C ATOM 517 CG ASN A 813 6.751 0.584 -8.378 1.00 12.31 C ATOM 518 OD1 ASN A 813 5.863 0.634 -9.214 1.00 24.22 O ATOM 519 ND2 ASN A 813 6.767 -0.272 -7.361 1.00 21.24 N ATOM 0 H ASN A 813 7.937 4.212 -9.365 1.00 5.25 H new ATOM 0 HA ASN A 813 6.813 2.744 -7.067 1.00 21.24 H new ATOM 0 HB2 ASN A 813 8.272 1.673 -9.453 1.00 73.40 H new ATOM 0 HB3 ASN A 813 8.797 1.068 -7.895 1.00 73.40 H new ATOM 0 HD21 ASN A 813 6.005 -0.940 -7.245 1.00 21.24 H new ATOM 0 HD22 ASN A 813 7.541 -0.260 -6.697 1.00 21.24 H new ATOM 526 N LYS A 814 8.952 3.169 -5.793 1.00 13.53 N ATOM 527 CA LYS A 814 10.094 3.611 -5.011 1.00 44.02 C ATOM 528 C LYS A 814 10.679 2.418 -4.252 1.00 44.24 C ATOM 529 O LYS A 814 10.288 2.147 -3.118 1.00 41.12 O ATOM 530 CB LYS A 814 9.705 4.783 -4.108 1.00 43.44 C ATOM 531 CG LYS A 814 9.735 6.104 -4.881 1.00 75.31 C ATOM 532 CD LYS A 814 10.093 7.271 -3.959 1.00 22.20 C ATOM 533 CE LYS A 814 8.837 7.888 -3.341 1.00 73.34 C ATOM 534 NZ LYS A 814 8.278 8.928 -4.234 1.00 33.32 N ATOM 0 H LYS A 814 8.232 2.683 -5.259 1.00 13.53 H new ATOM 0 HA LYS A 814 10.879 3.990 -5.665 1.00 44.02 H new ATOM 0 HB2 LYS A 814 8.707 4.618 -3.701 1.00 43.44 H new ATOM 0 HB3 LYS A 814 10.389 4.837 -3.261 1.00 43.44 H new ATOM 0 HG2 LYS A 814 10.462 6.039 -5.691 1.00 75.31 H new ATOM 0 HG3 LYS A 814 8.763 6.283 -5.340 1.00 75.31 H new ATOM 0 HD2 LYS A 814 10.758 6.924 -3.169 1.00 22.20 H new ATOM 0 HD3 LYS A 814 10.636 8.030 -4.522 1.00 22.20 H new ATOM 0 HE2 LYS A 814 8.092 7.112 -3.165 1.00 73.34 H new ATOM 0 HE3 LYS A 814 9.078 8.324 -2.371 1.00 73.34 H new ATOM 0 HZ1 LYS A 814 8.043 9.774 -3.677 1.00 33.32 H new ATOM 0 HZ2 LYS A 814 8.980 9.176 -4.960 1.00 33.32 H new ATOM 0 HZ3 LYS A 814 7.418 8.566 -4.693 1.00 33.32 H new ATOM 609 N GLY A 819 18.982 4.140 -3.168 1.00 72.04 N ATOM 610 CA GLY A 819 19.195 3.445 -4.426 1.00 63.43 C ATOM 611 C GLY A 819 18.726 4.294 -5.609 1.00 52.20 C ATOM 612 O GLY A 819 19.348 5.303 -5.939 1.00 71.42 O ATOM 0 HA2 GLY A 819 20.253 3.209 -4.540 1.00 63.43 H new ATOM 0 HA3 GLY A 819 18.656 2.498 -4.418 1.00 63.43 H new ATOM 616 N TRP A 820 17.632 3.855 -6.215 1.00 2.25 N ATOM 617 CA TRP A 820 17.072 4.563 -7.353 1.00 61.25 C ATOM 618 C TRP A 820 15.547 4.499 -7.246 1.00 42.42 C ATOM 619 O TRP A 820 15.010 3.808 -6.382 1.00 63.22 O ATOM 620 CB TRP A 820 17.603 3.991 -8.669 1.00 61.23 C ATOM 621 CG TRP A 820 17.273 2.512 -8.883 1.00 45.12 C ATOM 622 CD1 TRP A 820 16.521 1.715 -8.113 1.00 33.11 C ATOM 623 CD2 TRP A 820 17.719 1.681 -9.976 1.00 3.13 C ATOM 624 NE1 TRP A 820 16.449 0.436 -8.627 1.00 30.03 N ATOM 625 CE2 TRP A 820 17.201 0.415 -9.796 1.00 30.15 C ATOM 626 CE3 TRP A 820 18.534 1.989 -11.080 1.00 15.23 C ATOM 627 CZ2 TRP A 820 17.439 -0.644 -10.680 1.00 24.03 C ATOM 628 CZ3 TRP A 820 18.762 0.920 -11.954 1.00 64.01 C ATOM 629 CH2 TRP A 820 18.248 -0.360 -11.787 1.00 21.42 C ATOM 0 H TRP A 820 17.119 3.018 -5.939 1.00 2.25 H new ATOM 0 HA TRP A 820 17.378 5.609 -7.345 1.00 61.25 H new ATOM 0 HB2 TRP A 820 17.191 4.568 -9.497 1.00 61.23 H new ATOM 0 HB3 TRP A 820 18.685 4.119 -8.699 1.00 61.23 H new ATOM 0 HD1 TRP A 820 16.032 2.033 -7.204 1.00 33.11 H new ATOM 0 HE1 TRP A 820 15.938 -0.349 -8.223 1.00 30.03 H new ATOM 0 HE3 TRP A 820 18.951 2.972 -11.241 1.00 15.23 H new ATOM 0 HZ2 TRP A 820 17.021 -1.627 -10.517 1.00 24.03 H new ATOM 0 HZ3 TRP A 820 19.381 1.103 -12.820 1.00 64.01 H new ATOM 0 HH2 TRP A 820 18.471 -1.133 -12.508 1.00 21.42 H new ATOM 640 N TRP A 821 14.892 5.230 -8.136 1.00 44.53 N ATOM 641 CA TRP A 821 13.440 5.266 -8.153 1.00 11.04 C ATOM 642 C TRP A 821 12.975 4.962 -9.578 1.00 65.33 C ATOM 643 O TRP A 821 13.640 5.335 -10.544 1.00 75.32 O ATOM 644 CB TRP A 821 12.918 6.605 -7.627 1.00 24.21 C ATOM 645 CG TRP A 821 12.917 6.716 -6.101 1.00 4.40 C ATOM 646 CD1 TRP A 821 12.809 5.729 -5.202 1.00 10.04 C ATOM 647 CD2 TRP A 821 13.035 7.929 -5.328 1.00 3.25 C ATOM 648 NE1 TRP A 821 12.848 6.214 -3.910 1.00 41.53 N ATOM 649 CE2 TRP A 821 12.990 7.595 -3.989 1.00 63.04 C ATOM 650 CE3 TRP A 821 13.176 9.264 -5.745 1.00 14.51 C ATOM 651 CZ2 TRP A 821 13.079 8.540 -2.960 1.00 33.41 C ATOM 652 CZ3 TRP A 821 13.263 10.197 -4.704 1.00 35.52 C ATOM 653 CH2 TRP A 821 13.219 9.876 -3.352 1.00 13.21 C ATOM 0 H TRP A 821 15.341 5.802 -8.851 1.00 44.53 H new ATOM 0 HA TRP A 821 13.029 4.510 -7.484 1.00 11.04 H new ATOM 0 HB2 TRP A 821 13.528 7.409 -8.039 1.00 24.21 H new ATOM 0 HB3 TRP A 821 11.902 6.756 -7.993 1.00 24.21 H new ATOM 0 HD1 TRP A 821 12.704 4.685 -5.456 1.00 10.04 H new ATOM 0 HE1 TRP A 821 12.784 5.661 -3.055 1.00 41.53 H new ATOM 0 HE3 TRP A 821 13.214 9.548 -6.786 1.00 14.51 H new ATOM 0 HZ2 TRP A 821 13.042 8.253 -1.919 1.00 33.41 H new ATOM 0 HZ3 TRP A 821 13.372 11.238 -4.970 1.00 35.52 H new ATOM 0 HH2 TRP A 821 13.293 10.655 -2.607 1.00 13.21 H new ATOM 664 N ARG A 822 11.838 4.287 -9.665 1.00 5.12 N ATOM 665 CA ARG A 822 11.277 3.928 -10.956 1.00 44.43 C ATOM 666 C ARG A 822 10.171 4.911 -11.345 1.00 73.54 C ATOM 667 O ARG A 822 9.107 4.929 -10.728 1.00 1.32 O ATOM 668 CB ARG A 822 10.706 2.509 -10.933 1.00 52.45 C ATOM 669 CG ARG A 822 10.773 1.869 -12.321 1.00 64.23 C ATOM 670 CD ARG A 822 9.684 0.808 -12.489 1.00 73.10 C ATOM 671 NE ARG A 822 10.105 -0.197 -13.491 1.00 3.42 N ATOM 672 CZ ARG A 822 9.264 -1.062 -14.095 1.00 72.03 C ATOM 673 NH1 ARG A 822 7.946 -1.053 -13.804 1.00 14.31 N ATOM 674 NH2 ARG A 822 9.749 -1.918 -14.975 1.00 42.35 N ATOM 0 H ARG A 822 11.290 3.979 -8.862 1.00 5.12 H new ATOM 0 HA ARG A 822 12.081 3.971 -11.691 1.00 44.43 H new ATOM 0 HB2 ARG A 822 11.263 1.900 -10.221 1.00 52.45 H new ATOM 0 HB3 ARG A 822 9.672 2.535 -10.590 1.00 52.45 H new ATOM 0 HG2 ARG A 822 10.658 2.637 -13.086 1.00 64.23 H new ATOM 0 HG3 ARG A 822 11.753 1.416 -12.469 1.00 64.23 H new ATOM 0 HD2 ARG A 822 9.489 0.321 -11.534 1.00 73.10 H new ATOM 0 HD3 ARG A 822 8.752 1.278 -12.803 1.00 73.10 H new ATOM 0 HE ARG A 822 11.093 -0.238 -13.741 1.00 3.42 H new ATOM 0 HH11 ARG A 822 7.579 -0.389 -13.123 1.00 14.31 H new ATOM 0 HH12 ARG A 822 7.317 -1.710 -14.265 1.00 14.31 H new ATOM 0 HH21 ARG A 822 10.746 -1.919 -15.189 1.00 42.35 H new ATOM 0 HH22 ARG A 822 9.127 -2.579 -15.440 1.00 42.35 H new ATOM 687 N GLY A 823 10.459 5.703 -12.368 1.00 31.35 N ATOM 688 CA GLY A 823 9.501 6.685 -12.846 1.00 43.04 C ATOM 689 C GLY A 823 9.343 6.601 -14.366 1.00 2.31 C ATOM 690 O GLY A 823 9.583 5.552 -14.962 1.00 15.14 O ATOM 0 H GLY A 823 11.342 5.684 -12.879 1.00 31.35 H new ATOM 0 HA2 GLY A 823 8.536 6.520 -12.367 1.00 43.04 H new ATOM 0 HA3 GLY A 823 9.830 7.686 -12.566 1.00 43.04 H new ATOM 694 N GLU A 824 8.941 7.721 -14.950 1.00 20.34 N ATOM 695 CA GLU A 824 8.748 7.787 -16.388 1.00 41.03 C ATOM 696 C GLU A 824 8.566 9.240 -16.833 1.00 21.41 C ATOM 697 O GLU A 824 8.042 10.061 -16.082 1.00 42.34 O ATOM 698 CB GLU A 824 7.559 6.928 -16.822 1.00 61.33 C ATOM 699 CG GLU A 824 7.037 7.366 -18.192 1.00 14.11 C ATOM 700 CD GLU A 824 6.046 8.524 -18.056 1.00 11.12 C ATOM 701 OE1 GLU A 824 6.350 9.653 -18.470 1.00 25.51 O ATOM 702 OE2 GLU A 824 4.924 8.219 -17.497 1.00 73.24 O ATOM 0 H GLU A 824 8.744 8.590 -14.453 1.00 20.34 H new ATOM 0 HA GLU A 824 9.639 7.387 -16.873 1.00 41.03 H new ATOM 0 HB2 GLU A 824 7.858 5.880 -16.861 1.00 61.33 H new ATOM 0 HB3 GLU A 824 6.761 7.005 -16.083 1.00 61.33 H new ATOM 0 HG2 GLU A 824 7.872 7.669 -18.823 1.00 14.11 H new ATOM 0 HG3 GLU A 824 6.553 6.524 -18.687 1.00 14.11 H new ATOM 710 N ILE A 825 9.009 9.512 -18.052 1.00 30.14 N ATOM 711 CA ILE A 825 8.901 10.851 -18.605 1.00 45.12 C ATOM 712 C ILE A 825 8.511 10.758 -20.082 1.00 2.14 C ATOM 713 O ILE A 825 9.149 10.042 -20.852 1.00 40.11 O ATOM 714 CB ILE A 825 10.190 11.638 -18.358 1.00 61.00 C ATOM 715 CG1 ILE A 825 10.226 12.197 -16.934 1.00 44.43 C ATOM 716 CG2 ILE A 825 10.373 12.734 -19.410 1.00 3.35 C ATOM 717 CD1 ILE A 825 11.311 13.267 -16.793 1.00 63.10 C ATOM 0 H ILE A 825 9.443 8.828 -18.672 1.00 30.14 H new ATOM 0 HA ILE A 825 8.112 11.409 -18.101 1.00 45.12 H new ATOM 0 HB ILE A 825 11.033 10.954 -18.456 1.00 61.00 H new ATOM 0 HG12 ILE A 825 9.255 12.623 -16.682 1.00 44.43 H new ATOM 0 HG13 ILE A 825 10.413 11.389 -16.227 1.00 44.43 H new ATOM 0 HG21 ILE A 825 11.296 13.278 -19.212 1.00 3.35 H new ATOM 0 HG22 ILE A 825 10.424 12.282 -20.401 1.00 3.35 H new ATOM 0 HG23 ILE A 825 9.529 13.423 -19.368 1.00 3.35 H new ATOM 0 HD11 ILE A 825 11.316 13.648 -15.772 1.00 63.10 H new ATOM 0 HD12 ILE A 825 12.284 12.831 -17.022 1.00 63.10 H new ATOM 0 HD13 ILE A 825 11.108 14.085 -17.484 1.00 63.10 H new ATOM 729 N TYR A 826 7.465 11.492 -20.432 1.00 4.34 N ATOM 730 CA TYR A 826 6.983 11.502 -21.802 1.00 75.31 C ATOM 731 C TYR A 826 6.547 10.102 -22.240 1.00 22.33 C ATOM 732 O TYR A 826 6.494 9.809 -23.433 1.00 50.12 O ATOM 733 CB TYR A 826 8.166 11.947 -22.663 1.00 41.21 C ATOM 734 CG TYR A 826 8.901 13.175 -22.123 1.00 3.33 C ATOM 735 CD1 TYR A 826 8.254 14.048 -21.272 1.00 1.11 C ATOM 736 CD2 TYR A 826 10.212 13.410 -22.486 1.00 51.42 C ATOM 737 CE1 TYR A 826 8.946 15.204 -20.763 1.00 61.03 C ATOM 738 CE2 TYR A 826 10.904 14.566 -21.978 1.00 11.34 C ATOM 739 CZ TYR A 826 10.237 15.406 -21.141 1.00 52.03 C ATOM 740 OH TYR A 826 10.890 16.498 -20.661 1.00 24.30 O ATOM 0 H TYR A 826 6.938 12.084 -19.790 1.00 4.34 H new ATOM 0 HA TYR A 826 6.122 12.164 -21.901 1.00 75.31 H new ATOM 0 HB2 TYR A 826 8.872 11.121 -22.747 1.00 41.21 H new ATOM 0 HB3 TYR A 826 7.808 12.164 -23.670 1.00 41.21 H new ATOM 0 HD1 TYR A 826 7.228 13.864 -20.988 1.00 1.11 H new ATOM 0 HD2 TYR A 826 10.719 12.727 -23.151 1.00 51.42 H new ATOM 0 HE1 TYR A 826 8.451 15.895 -20.096 1.00 61.03 H new ATOM 0 HE2 TYR A 826 11.929 14.762 -22.255 1.00 11.34 H new ATOM 0 HH TYR A 826 11.803 16.248 -20.409 1.00 24.30 H new ATOM 750 N GLY A 827 6.247 9.274 -21.250 1.00 31.21 N ATOM 751 CA GLY A 827 5.818 7.912 -21.518 1.00 31.43 C ATOM 752 C GLY A 827 7.016 6.962 -21.580 1.00 72.25 C ATOM 753 O GLY A 827 6.864 5.786 -21.907 1.00 74.30 O ATOM 0 H GLY A 827 6.293 9.520 -20.261 1.00 31.21 H new ATOM 0 HA2 GLY A 827 5.129 7.584 -20.739 1.00 31.43 H new ATOM 0 HA3 GLY A 827 5.273 7.878 -22.461 1.00 31.43 H new ATOM 757 N ARG A 828 8.180 7.508 -21.262 1.00 64.44 N ATOM 758 CA ARG A 828 9.404 6.724 -21.278 1.00 73.55 C ATOM 759 C ARG A 828 9.744 6.242 -19.867 1.00 21.03 C ATOM 760 O ARG A 828 9.976 7.051 -18.970 1.00 14.41 O ATOM 761 CB ARG A 828 10.575 7.541 -21.827 1.00 53.13 C ATOM 762 CG ARG A 828 10.322 7.955 -23.278 1.00 51.04 C ATOM 763 CD ARG A 828 11.616 8.421 -23.949 1.00 12.42 C ATOM 764 NE ARG A 828 11.344 8.828 -25.346 1.00 30.23 N ATOM 765 CZ ARG A 828 12.302 9.027 -26.276 1.00 12.20 C ATOM 766 NH1 ARG A 828 13.605 8.859 -25.965 1.00 34.01 N ATOM 767 NH2 ARG A 828 11.945 9.389 -27.494 1.00 43.22 N ATOM 0 H ARG A 828 8.302 8.484 -20.992 1.00 64.44 H new ATOM 0 HA ARG A 828 9.239 5.865 -21.929 1.00 73.55 H new ATOM 0 HB2 ARG A 828 10.723 8.429 -21.212 1.00 53.13 H new ATOM 0 HB3 ARG A 828 11.492 6.955 -21.767 1.00 53.13 H new ATOM 0 HG2 ARG A 828 9.903 7.115 -23.832 1.00 51.04 H new ATOM 0 HG3 ARG A 828 9.584 8.756 -23.308 1.00 51.04 H new ATOM 0 HD2 ARG A 828 12.042 9.257 -23.394 1.00 12.42 H new ATOM 0 HD3 ARG A 828 12.353 7.618 -23.932 1.00 12.42 H new ATOM 0 HE ARG A 828 10.372 8.967 -25.623 1.00 30.23 H new ATOM 0 HH11 ARG A 828 13.872 8.580 -25.021 1.00 34.01 H new ATOM 0 HH12 ARG A 828 14.322 9.011 -26.674 1.00 34.01 H new ATOM 0 HH21 ARG A 828 10.958 9.514 -27.720 1.00 43.22 H new ATOM 0 HH22 ARG A 828 12.656 9.544 -28.209 1.00 43.22 H new ATOM 780 N ILE A 829 9.764 4.926 -19.713 1.00 51.14 N ATOM 781 CA ILE A 829 10.072 4.327 -18.426 1.00 2.21 C ATOM 782 C ILE A 829 11.587 4.159 -18.296 1.00 44.22 C ATOM 783 O ILE A 829 12.302 4.149 -19.297 1.00 63.51 O ATOM 784 CB ILE A 829 9.291 3.025 -18.240 1.00 71.10 C ATOM 785 CG1 ILE A 829 7.789 3.255 -18.423 1.00 44.34 C ATOM 786 CG2 ILE A 829 9.611 2.381 -16.889 1.00 43.44 C ATOM 787 CD1 ILE A 829 7.122 3.609 -17.093 1.00 24.34 C ATOM 0 H ILE A 829 9.572 4.258 -20.459 1.00 51.14 H new ATOM 0 HA ILE A 829 9.753 4.982 -17.615 1.00 2.21 H new ATOM 0 HB ILE A 829 9.607 2.325 -19.014 1.00 71.10 H new ATOM 0 HG12 ILE A 829 7.626 4.059 -19.141 1.00 44.34 H new ATOM 0 HG13 ILE A 829 7.328 2.358 -18.838 1.00 44.34 H new ATOM 0 HG21 ILE A 829 9.042 1.457 -16.783 1.00 43.44 H new ATOM 0 HG22 ILE A 829 10.677 2.159 -16.835 1.00 43.44 H new ATOM 0 HG23 ILE A 829 9.342 3.067 -16.086 1.00 43.44 H new ATOM 0 HD11 ILE A 829 6.055 3.767 -17.252 1.00 24.34 H new ATOM 0 HD12 ILE A 829 7.266 2.793 -16.385 1.00 24.34 H new ATOM 0 HD13 ILE A 829 7.568 4.520 -16.693 1.00 24.34 H new ATOM 799 N GLY A 830 12.032 4.032 -17.055 1.00 3.12 N ATOM 800 CA GLY A 830 13.450 3.865 -16.781 1.00 54.11 C ATOM 801 C GLY A 830 13.738 3.997 -15.284 1.00 44.54 C ATOM 802 O GLY A 830 12.824 4.203 -14.488 1.00 10.50 O ATOM 0 H GLY A 830 11.436 4.041 -16.227 1.00 3.12 H new ATOM 0 HA2 GLY A 830 13.780 2.888 -17.134 1.00 54.11 H new ATOM 0 HA3 GLY A 830 14.021 4.612 -17.332 1.00 54.11 H new ATOM 806 N TRP A 831 15.014 3.874 -14.947 1.00 73.22 N ATOM 807 CA TRP A 831 15.434 3.977 -13.560 1.00 65.02 C ATOM 808 C TRP A 831 16.376 5.177 -13.440 1.00 30.02 C ATOM 809 O TRP A 831 17.077 5.518 -14.391 1.00 50.52 O ATOM 810 CB TRP A 831 16.068 2.670 -13.081 1.00 20.52 C ATOM 811 CG TRP A 831 15.098 1.487 -13.039 1.00 64.31 C ATOM 812 CD1 TRP A 831 14.725 0.690 -14.050 1.00 11.12 C ATOM 813 CD2 TRP A 831 14.390 0.996 -11.881 1.00 52.25 C ATOM 814 NE1 TRP A 831 13.831 -0.274 -13.630 1.00 51.12 N ATOM 815 CE2 TRP A 831 13.621 -0.082 -12.270 1.00 11.24 C ATOM 816 CE3 TRP A 831 14.399 1.449 -10.550 1.00 75.52 C ATOM 817 CZ2 TRP A 831 12.803 -0.798 -11.387 1.00 4.10 C ATOM 818 CZ3 TRP A 831 13.576 0.722 -9.680 1.00 42.34 C ATOM 819 CH2 TRP A 831 12.796 -0.365 -10.056 1.00 30.14 C ATOM 0 H TRP A 831 15.770 3.704 -15.610 1.00 73.22 H new ATOM 0 HA TRP A 831 14.576 4.141 -12.908 1.00 65.02 H new ATOM 0 HB2 TRP A 831 16.901 2.420 -13.738 1.00 20.52 H new ATOM 0 HB3 TRP A 831 16.482 2.823 -12.084 1.00 20.52 H new ATOM 0 HD1 TRP A 831 15.079 0.790 -15.065 1.00 11.12 H new ATOM 0 HE1 TRP A 831 13.403 -0.995 -14.211 1.00 51.12 H new ATOM 0 HE3 TRP A 831 14.993 2.290 -10.224 1.00 75.52 H new ATOM 0 HZ2 TRP A 831 12.210 -1.639 -11.715 1.00 4.10 H new ATOM 0 HZ3 TRP A 831 13.546 1.028 -8.645 1.00 42.34 H new ATOM 0 HH2 TRP A 831 12.187 -0.874 -9.324 1.00 30.14 H new ATOM 830 N PHE A 832 16.362 5.784 -12.262 1.00 74.12 N ATOM 831 CA PHE A 832 17.205 6.939 -12.005 1.00 65.41 C ATOM 832 C PHE A 832 17.455 7.112 -10.506 1.00 2.24 C ATOM 833 O PHE A 832 16.643 6.689 -9.684 1.00 41.13 O ATOM 834 CB PHE A 832 16.457 8.165 -12.531 1.00 4.22 C ATOM 835 CG PHE A 832 15.134 8.441 -11.815 1.00 34.13 C ATOM 836 CD1 PHE A 832 14.029 7.708 -12.121 1.00 4.40 C ATOM 837 CD2 PHE A 832 15.061 9.418 -10.872 1.00 2.41 C ATOM 838 CE1 PHE A 832 12.801 7.964 -11.456 1.00 51.34 C ATOM 839 CE2 PHE A 832 13.833 9.674 -10.207 1.00 53.44 C ATOM 840 CZ PHE A 832 12.728 8.942 -10.514 1.00 24.13 C ATOM 0 H PHE A 832 15.780 5.497 -11.475 1.00 74.12 H new ATOM 0 HA PHE A 832 18.171 6.811 -12.494 1.00 65.41 H new ATOM 0 HB2 PHE A 832 17.100 9.040 -12.434 1.00 4.22 H new ATOM 0 HB3 PHE A 832 16.261 8.030 -13.595 1.00 4.22 H new ATOM 0 HD1 PHE A 832 14.086 6.932 -12.870 1.00 4.40 H new ATOM 0 HD2 PHE A 832 15.938 10.000 -10.629 1.00 2.41 H new ATOM 0 HE1 PHE A 832 11.924 7.382 -11.698 1.00 51.34 H new ATOM 0 HE2 PHE A 832 13.776 10.450 -9.458 1.00 53.44 H new ATOM 0 HZ PHE A 832 11.793 9.138 -10.010 1.00 24.13 H new ATOM 850 N PRO A 833 18.612 7.752 -10.186 1.00 30.22 N ATOM 851 CA PRO A 833 18.979 7.987 -8.800 1.00 32.44 C ATOM 852 C PRO A 833 18.145 9.119 -8.196 1.00 23.20 C ATOM 853 O PRO A 833 17.756 10.051 -8.898 1.00 63.44 O ATOM 854 CB PRO A 833 20.466 8.297 -8.834 1.00 24.05 C ATOM 855 CG PRO A 833 20.779 8.681 -10.271 1.00 3.45 C ATOM 856 CD PRO A 833 19.598 8.267 -11.132 1.00 34.42 C ATOM 0 HA PRO A 833 18.780 7.127 -8.160 1.00 32.44 H new ATOM 0 HB2 PRO A 833 20.711 9.110 -8.150 1.00 24.05 H new ATOM 0 HB3 PRO A 833 21.052 7.432 -8.524 1.00 24.05 H new ATOM 0 HG2 PRO A 833 20.951 9.754 -10.350 1.00 3.45 H new ATOM 0 HG3 PRO A 833 21.690 8.186 -10.609 1.00 3.45 H new ATOM 0 HD2 PRO A 833 19.203 9.113 -11.695 1.00 34.42 H new ATOM 0 HD3 PRO A 833 19.885 7.507 -11.858 1.00 34.42 H new ATOM 864 N SER A 834 17.896 9.001 -6.900 1.00 71.21 N ATOM 865 CA SER A 834 17.116 10.003 -6.194 1.00 31.11 C ATOM 866 C SER A 834 18.028 11.135 -5.716 1.00 73.13 C ATOM 867 O SER A 834 17.577 12.053 -5.033 1.00 5.03 O ATOM 868 CB SER A 834 16.370 9.386 -5.009 1.00 4.02 C ATOM 869 OG SER A 834 17.250 9.059 -3.936 1.00 41.33 O ATOM 0 H SER A 834 18.221 8.227 -6.321 1.00 71.21 H new ATOM 0 HA SER A 834 16.375 10.408 -6.884 1.00 31.11 H new ATOM 0 HB2 SER A 834 15.611 10.084 -4.656 1.00 4.02 H new ATOM 0 HB3 SER A 834 15.849 8.487 -5.337 1.00 4.02 H new ATOM 0 HG SER A 834 16.736 8.669 -3.198 1.00 41.33 H new ATOM 875 N ASN A 835 19.293 11.032 -6.095 1.00 41.23 N ATOM 876 CA ASN A 835 20.272 12.036 -5.714 1.00 62.04 C ATOM 877 C ASN A 835 20.431 13.046 -6.853 1.00 33.40 C ATOM 878 O ASN A 835 21.051 14.093 -6.677 1.00 24.21 O ATOM 879 CB ASN A 835 21.639 11.400 -5.452 1.00 40.54 C ATOM 880 CG ASN A 835 21.588 10.471 -4.238 1.00 71.12 C ATOM 881 OD1 ASN A 835 21.363 10.888 -3.114 1.00 35.41 O ATOM 882 ND2 ASN A 835 21.809 9.192 -4.527 1.00 21.43 N ATOM 0 H ASN A 835 19.663 10.269 -6.662 1.00 41.23 H new ATOM 0 HA ASN A 835 19.920 12.522 -4.804 1.00 62.04 H new ATOM 0 HB2 ASN A 835 21.957 10.839 -6.331 1.00 40.54 H new ATOM 0 HB3 ASN A 835 22.381 12.181 -5.286 1.00 40.54 H new ATOM 0 HD21 ASN A 835 21.796 8.492 -3.785 1.00 21.43 H new ATOM 0 HD22 ASN A 835 21.991 8.911 -5.490 1.00 21.43 H new ATOM 889 N TYR A 836 19.859 12.695 -7.996 1.00 13.34 N ATOM 890 CA TYR A 836 19.929 13.558 -9.163 1.00 33.22 C ATOM 891 C TYR A 836 18.572 14.206 -9.448 1.00 22.30 C ATOM 892 O TYR A 836 18.454 15.037 -10.347 1.00 70.32 O ATOM 893 CB TYR A 836 20.304 12.650 -10.336 1.00 14.10 C ATOM 894 CG TYR A 836 21.804 12.374 -10.455 1.00 13.05 C ATOM 895 CD1 TYR A 836 22.486 11.805 -9.399 1.00 21.52 C ATOM 896 CD2 TYR A 836 22.475 12.695 -11.617 1.00 73.43 C ATOM 897 CE1 TYR A 836 23.898 11.545 -9.510 1.00 61.34 C ATOM 898 CE2 TYR A 836 23.887 12.435 -11.729 1.00 34.21 C ATOM 899 CZ TYR A 836 24.529 11.873 -10.670 1.00 34.31 C ATOM 900 OH TYR A 836 25.862 11.627 -10.775 1.00 42.33 O ATOM 0 H TYR A 836 19.345 11.825 -8.138 1.00 13.34 H new ATOM 0 HA TYR A 836 20.652 14.359 -9.006 1.00 33.22 H new ATOM 0 HB2 TYR A 836 19.778 11.701 -10.230 1.00 14.10 H new ATOM 0 HB3 TYR A 836 19.955 13.107 -11.262 1.00 14.10 H new ATOM 0 HD1 TYR A 836 21.961 11.555 -8.489 1.00 21.52 H new ATOM 0 HD2 TYR A 836 21.941 13.141 -12.443 1.00 73.43 H new ATOM 0 HE1 TYR A 836 24.444 11.100 -8.691 1.00 61.34 H new ATOM 0 HE2 TYR A 836 24.424 12.681 -12.633 1.00 34.21 H new ATOM 0 HH TYR A 836 26.178 11.911 -11.658 1.00 42.33 H new ATOM 910 N VAL A 837 17.583 13.801 -8.665 1.00 72.14 N ATOM 911 CA VAL A 837 16.239 14.332 -8.822 1.00 63.44 C ATOM 912 C VAL A 837 15.787 14.961 -7.503 1.00 74.42 C ATOM 913 O VAL A 837 16.548 15.003 -6.538 1.00 31.40 O ATOM 914 CB VAL A 837 15.296 13.232 -9.315 1.00 24.10 C ATOM 915 CG1 VAL A 837 15.615 12.843 -10.760 1.00 51.41 C ATOM 916 CG2 VAL A 837 15.350 12.011 -8.394 1.00 51.04 C ATOM 0 H VAL A 837 17.685 13.112 -7.920 1.00 72.14 H new ATOM 0 HA VAL A 837 16.224 15.117 -9.578 1.00 63.44 H new ATOM 0 HB VAL A 837 14.280 13.626 -9.291 1.00 24.10 H new ATOM 0 HG11 VAL A 837 14.930 12.060 -11.086 1.00 51.41 H new ATOM 0 HG12 VAL A 837 15.502 13.715 -11.405 1.00 51.41 H new ATOM 0 HG13 VAL A 837 16.640 12.477 -10.821 1.00 51.41 H new ATOM 0 HG21 VAL A 837 14.671 11.244 -8.766 1.00 51.04 H new ATOM 0 HG22 VAL A 837 16.366 11.617 -8.372 1.00 51.04 H new ATOM 0 HG23 VAL A 837 15.052 12.302 -7.387 1.00 51.04 H new ATOM 926 N GLU A 838 14.549 15.434 -7.504 1.00 61.01 N ATOM 927 CA GLU A 838 13.986 16.059 -6.319 1.00 70.23 C ATOM 928 C GLU A 838 12.716 15.325 -5.885 1.00 75.02 C ATOM 929 O GLU A 838 12.269 14.398 -6.559 1.00 54.45 O ATOM 930 CB GLU A 838 13.706 17.543 -6.563 1.00 33.02 C ATOM 931 CG GLU A 838 14.994 18.365 -6.483 1.00 31.43 C ATOM 932 CD GLU A 838 15.386 18.629 -5.028 1.00 21.35 C ATOM 933 OE1 GLU A 838 16.567 18.871 -4.738 1.00 62.00 O ATOM 934 OE2 GLU A 838 14.413 18.577 -4.182 1.00 72.35 O ATOM 0 H GLU A 838 13.920 15.397 -8.306 1.00 61.01 H new ATOM 0 HA GLU A 838 14.716 15.989 -5.513 1.00 70.23 H new ATOM 0 HB2 GLU A 838 13.247 17.674 -7.543 1.00 33.02 H new ATOM 0 HB3 GLU A 838 12.991 17.908 -5.825 1.00 33.02 H new ATOM 0 HG2 GLU A 838 15.800 17.835 -6.990 1.00 31.43 H new ATOM 0 HG3 GLU A 838 14.858 19.312 -7.004 1.00 31.43 H new ATOM 942 N GLU A 839 12.170 15.767 -4.762 1.00 33.12 N ATOM 943 CA GLU A 839 10.960 15.164 -4.230 1.00 34.32 C ATOM 944 C GLU A 839 10.153 16.198 -3.443 1.00 15.22 C ATOM 945 O GLU A 839 10.718 16.989 -2.689 1.00 33.00 O ATOM 946 CB GLU A 839 11.289 13.949 -3.360 1.00 61.44 C ATOM 947 CG GLU A 839 11.442 12.689 -4.215 1.00 20.54 C ATOM 948 CD GLU A 839 10.110 12.298 -4.859 1.00 44.22 C ATOM 949 OE1 GLU A 839 9.129 13.049 -4.757 1.00 73.30 O ATOM 950 OE2 GLU A 839 10.118 11.170 -5.486 1.00 13.45 O ATOM 0 H GLU A 839 12.543 16.536 -4.206 1.00 33.12 H new ATOM 0 HA GLU A 839 10.353 14.818 -5.066 1.00 34.32 H new ATOM 0 HB2 GLU A 839 12.210 14.132 -2.807 1.00 61.44 H new ATOM 0 HB3 GLU A 839 10.499 13.800 -2.624 1.00 61.44 H new ATOM 0 HG2 GLU A 839 12.189 12.860 -4.991 1.00 20.54 H new ATOM 0 HG3 GLU A 839 11.806 11.868 -3.597 1.00 20.54 H new ATOM 958 N ASP A 840 8.844 16.159 -3.645 1.00 53.20 N ATOM 959 CA ASP A 840 7.953 17.083 -2.964 1.00 3.43 C ATOM 960 C ASP A 840 8.596 18.471 -2.928 1.00 50.42 C ATOM 961 O ASP A 840 8.356 19.247 -2.004 1.00 63.10 O ATOM 962 CB ASP A 840 7.701 16.642 -1.521 1.00 13.33 C ATOM 963 CG ASP A 840 6.827 17.591 -0.698 1.00 53.10 C ATOM 964 OD1 ASP A 840 5.931 18.260 -1.234 1.00 11.41 O ATOM 965 OD2 ASP A 840 7.099 17.629 0.562 1.00 23.53 O ATOM 0 H ASP A 840 8.379 15.502 -4.271 1.00 53.20 H new ATOM 0 HA ASP A 840 7.008 17.102 -3.506 1.00 3.43 H new ATOM 0 HB2 ASP A 840 7.231 15.659 -1.534 1.00 13.33 H new ATOM 0 HB3 ASP A 840 8.662 16.529 -1.018 1.00 13.33 H new ATOM 971 N TYR A 841 9.400 18.742 -3.946 1.00 11.41 N ATOM 972 CA TYR A 841 10.079 20.023 -4.043 1.00 11.43 C ATOM 973 C TYR A 841 9.074 21.177 -4.061 1.00 32.23 C ATOM 974 O TYR A 841 9.316 22.225 -3.465 1.00 11.22 O ATOM 975 CB TYR A 841 10.835 20.001 -5.373 1.00 33.52 C ATOM 976 CG TYR A 841 10.006 19.484 -6.551 1.00 11.34 C ATOM 977 CD1 TYR A 841 9.163 20.341 -7.229 1.00 60.22 C ATOM 978 CD2 TYR A 841 10.101 18.162 -6.935 1.00 21.05 C ATOM 979 CE1 TYR A 841 8.383 19.855 -8.338 1.00 31.12 C ATOM 980 CE2 TYR A 841 9.321 17.676 -8.043 1.00 41.11 C ATOM 981 CZ TYR A 841 8.500 18.547 -8.690 1.00 64.50 C ATOM 982 OH TYR A 841 7.764 18.088 -9.737 1.00 73.40 O ATOM 0 H TYR A 841 9.596 18.096 -4.711 1.00 11.41 H new ATOM 0 HA TYR A 841 10.740 20.172 -3.189 1.00 11.43 H new ATOM 0 HB2 TYR A 841 11.180 21.010 -5.600 1.00 33.52 H new ATOM 0 HB3 TYR A 841 11.722 19.377 -5.265 1.00 33.52 H new ATOM 0 HD1 TYR A 841 9.088 21.376 -6.928 1.00 60.22 H new ATOM 0 HD2 TYR A 841 10.761 17.492 -6.404 1.00 21.05 H new ATOM 0 HE1 TYR A 841 7.720 20.515 -8.878 1.00 31.12 H new ATOM 0 HE2 TYR A 841 9.386 16.644 -8.354 1.00 41.11 H new ATOM 0 HH TYR A 841 7.224 18.819 -10.103 1.00 73.40 H new