USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=10 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 114:sc= 0.353 USER MOD Set 1.2: A 841 TYR OH : rot 0:sc= -0.977 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 9:sc= 0.525 USER MOD Single : A 799 SER OG : rot 180:sc= 0 USER MOD Single : A 802 SER OG : rot 54:sc= 0.0507 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 X(o=0,f=0) USER MOD Single : A 814 LYS NZ :NH3+ -139:sc= -1.94 (180deg=-4.2!) USER MOD Single : A 826 TYR OH : rot 157:sc= 1.21 USER MOD Single : A 834 SER OG : rot 109:sc= 0.229 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.395 11.946 -5.880 1.00 72.34 N ATOM 64 CA GLY A 785 4.272 13.215 -6.577 1.00 61.00 C ATOM 65 C GLY A 785 5.173 13.251 -7.813 1.00 53.14 C ATOM 66 O GLY A 785 4.824 12.700 -8.856 1.00 60.41 O ATOM 0 HA2 GLY A 785 3.235 13.372 -6.874 1.00 61.00 H new ATOM 0 HA3 GLY A 785 4.538 14.031 -5.905 1.00 61.00 H new ATOM 70 N THR A 786 6.314 13.906 -7.656 1.00 73.00 N ATOM 71 CA THR A 786 7.267 14.021 -8.747 1.00 11.34 C ATOM 72 C THR A 786 8.683 14.211 -8.199 1.00 70.13 C ATOM 73 O THR A 786 8.872 14.349 -6.992 1.00 3.41 O ATOM 74 CB THR A 786 6.809 15.163 -9.656 1.00 50.30 C ATOM 75 OG1 THR A 786 6.409 16.189 -8.751 1.00 34.40 O ATOM 76 CG2 THR A 786 5.530 14.824 -10.424 1.00 32.43 C ATOM 0 H THR A 786 6.600 14.362 -6.790 1.00 73.00 H new ATOM 0 HA THR A 786 7.301 13.108 -9.341 1.00 11.34 H new ATOM 0 HB THR A 786 7.603 15.404 -10.363 1.00 50.30 H new ATOM 0 HG1 THR A 786 7.011 16.957 -8.841 1.00 34.40 H new ATOM 0 HG21 THR A 786 5.249 15.668 -11.054 1.00 32.43 H new ATOM 0 HG22 THR A 786 5.702 13.947 -11.048 1.00 32.43 H new ATOM 0 HG23 THR A 786 4.726 14.615 -9.718 1.00 32.43 H new ATOM 84 N ALA A 787 9.641 14.211 -9.114 1.00 64.01 N ATOM 85 CA ALA A 787 11.035 14.381 -8.738 1.00 54.33 C ATOM 86 C ALA A 787 11.733 15.267 -9.772 1.00 55.40 C ATOM 87 O ALA A 787 11.972 14.840 -10.900 1.00 51.44 O ATOM 88 CB ALA A 787 11.698 13.009 -8.603 1.00 44.42 C ATOM 0 H ALA A 787 9.480 14.096 -10.115 1.00 64.01 H new ATOM 0 HA ALA A 787 11.114 14.878 -7.771 1.00 54.33 H new ATOM 0 HB1 ALA A 787 12.743 13.136 -8.321 1.00 44.42 H new ATOM 0 HB2 ALA A 787 11.183 12.430 -7.836 1.00 44.42 H new ATOM 0 HB3 ALA A 787 11.641 12.482 -9.555 1.00 44.42 H new ATOM 94 N LYS A 788 12.039 16.485 -9.350 1.00 3.13 N ATOM 95 CA LYS A 788 12.705 17.435 -10.225 1.00 10.22 C ATOM 96 C LYS A 788 14.179 17.049 -10.363 1.00 31.41 C ATOM 97 O LYS A 788 14.914 17.029 -9.377 1.00 42.21 O ATOM 98 CB LYS A 788 12.488 18.865 -9.726 1.00 44.44 C ATOM 99 CG LYS A 788 12.414 19.848 -10.897 1.00 15.44 C ATOM 100 CD LYS A 788 11.681 21.129 -10.491 1.00 21.01 C ATOM 101 CE LYS A 788 12.267 22.346 -11.209 1.00 2.55 C ATOM 102 NZ LYS A 788 11.506 23.568 -10.863 1.00 24.15 N ATOM 0 H LYS A 788 11.838 16.836 -8.414 1.00 3.13 H new ATOM 0 HA LYS A 788 12.272 17.401 -11.225 1.00 10.22 H new ATOM 0 HB2 LYS A 788 11.567 18.916 -9.145 1.00 44.44 H new ATOM 0 HB3 LYS A 788 13.302 19.149 -9.059 1.00 44.44 H new ATOM 0 HG2 LYS A 788 13.421 20.092 -11.236 1.00 15.44 H new ATOM 0 HG3 LYS A 788 11.900 19.381 -11.737 1.00 15.44 H new ATOM 0 HD2 LYS A 788 10.621 21.037 -10.729 1.00 21.01 H new ATOM 0 HD3 LYS A 788 11.754 21.268 -9.412 1.00 21.01 H new ATOM 0 HE2 LYS A 788 13.313 22.471 -10.931 1.00 2.55 H new ATOM 0 HE3 LYS A 788 12.241 22.187 -12.287 1.00 2.55 H new ATOM 0 HZ1 LYS A 788 11.917 24.385 -11.359 1.00 24.15 H new ATOM 0 HZ2 LYS A 788 10.513 23.452 -11.151 1.00 24.15 H new ATOM 0 HZ3 LYS A 788 11.553 23.727 -9.836 1.00 24.15 H new ATOM 115 N ALA A 789 14.566 16.750 -11.594 1.00 45.42 N ATOM 116 CA ALA A 789 15.939 16.366 -11.874 1.00 64.51 C ATOM 117 C ALA A 789 16.872 17.527 -11.525 1.00 15.40 C ATOM 118 O ALA A 789 16.530 18.689 -11.743 1.00 63.12 O ATOM 119 CB ALA A 789 16.062 15.939 -13.338 1.00 51.55 C ATOM 0 H ALA A 789 13.953 16.766 -12.409 1.00 45.42 H new ATOM 0 HA ALA A 789 16.231 15.514 -11.260 1.00 64.51 H new ATOM 0 HB1 ALA A 789 17.092 15.651 -13.548 1.00 51.55 H new ATOM 0 HB2 ALA A 789 15.403 15.092 -13.526 1.00 51.55 H new ATOM 0 HB3 ALA A 789 15.779 16.770 -13.984 1.00 51.55 H new ATOM 125 N ARG A 790 18.030 17.174 -10.989 1.00 23.14 N ATOM 126 CA ARG A 790 19.014 18.173 -10.607 1.00 62.11 C ATOM 127 C ARG A 790 20.289 18.006 -11.436 1.00 40.05 C ATOM 128 O ARG A 790 21.232 18.783 -11.295 1.00 53.54 O ATOM 129 CB ARG A 790 19.363 18.063 -9.121 1.00 55.54 C ATOM 130 CG ARG A 790 18.154 18.406 -8.248 1.00 52.31 C ATOM 131 CD ARG A 790 17.706 19.852 -8.474 1.00 64.14 C ATOM 132 NE ARG A 790 17.024 20.366 -7.266 1.00 20.53 N ATOM 133 CZ ARG A 790 17.658 20.963 -6.235 1.00 4.42 C ATOM 134 NH1 ARG A 790 18.998 21.128 -6.258 1.00 21.05 N ATOM 135 NH2 ARG A 790 16.949 21.384 -5.204 1.00 41.43 N ATOM 0 H ARG A 790 18.310 16.210 -10.810 1.00 23.14 H new ATOM 0 HA ARG A 790 18.579 19.155 -10.795 1.00 62.11 H new ATOM 0 HB2 ARG A 790 19.703 17.052 -8.897 1.00 55.54 H new ATOM 0 HB3 ARG A 790 20.188 18.736 -8.887 1.00 55.54 H new ATOM 0 HG2 ARG A 790 17.332 17.727 -8.476 1.00 52.31 H new ATOM 0 HG3 ARG A 790 18.406 18.260 -7.198 1.00 52.31 H new ATOM 0 HD2 ARG A 790 18.569 20.476 -8.708 1.00 64.14 H new ATOM 0 HD3 ARG A 790 17.034 19.903 -9.331 1.00 64.14 H new ATOM 0 HE ARG A 790 16.011 20.263 -7.209 1.00 20.53 H new ATOM 0 HH11 ARG A 790 19.539 20.800 -7.059 1.00 21.05 H new ATOM 0 HH12 ARG A 790 19.470 21.580 -5.475 1.00 21.05 H new ATOM 0 HH21 ARG A 790 15.937 21.256 -5.195 1.00 41.43 H new ATOM 0 HH22 ARG A 790 17.413 21.837 -4.417 1.00 41.43 H new ATOM 148 N TYR A 791 20.277 16.987 -12.283 1.00 51.01 N ATOM 149 CA TYR A 791 21.421 16.708 -13.135 1.00 55.31 C ATOM 150 C TYR A 791 20.973 16.168 -14.495 1.00 14.12 C ATOM 151 O TYR A 791 20.120 15.284 -14.565 1.00 51.53 O ATOM 152 CB TYR A 791 22.231 15.630 -12.413 1.00 42.13 C ATOM 153 CG TYR A 791 22.828 16.088 -11.081 1.00 64.12 C ATOM 154 CD1 TYR A 791 22.049 16.097 -9.942 1.00 70.42 C ATOM 155 CD2 TYR A 791 24.146 16.492 -11.018 1.00 44.35 C ATOM 156 CE1 TYR A 791 22.611 16.528 -8.688 1.00 70.44 C ATOM 157 CE2 TYR A 791 24.708 16.923 -9.765 1.00 4.23 C ATOM 158 CZ TYR A 791 23.913 16.920 -8.662 1.00 20.55 C ATOM 159 OH TYR A 791 24.444 17.326 -7.477 1.00 52.54 O ATOM 0 H TYR A 791 19.493 16.344 -12.398 1.00 51.01 H new ATOM 0 HA TYR A 791 21.998 17.616 -13.313 1.00 55.31 H new ATOM 0 HB2 TYR A 791 21.590 14.767 -12.234 1.00 42.13 H new ATOM 0 HB3 TYR A 791 23.038 15.298 -13.066 1.00 42.13 H new ATOM 0 HD1 TYR A 791 21.018 15.781 -9.991 1.00 70.42 H new ATOM 0 HD2 TYR A 791 24.756 16.485 -11.909 1.00 44.35 H new ATOM 0 HE1 TYR A 791 22.012 16.540 -7.789 1.00 70.44 H new ATOM 0 HE2 TYR A 791 25.738 17.242 -9.702 1.00 4.23 H new ATOM 0 HH TYR A 791 25.383 17.576 -7.608 1.00 52.54 H new ATOM 169 N ASP A 792 21.568 16.722 -15.541 1.00 32.11 N ATOM 170 CA ASP A 792 21.241 16.307 -16.895 1.00 32.15 C ATOM 171 C ASP A 792 21.725 14.872 -17.114 1.00 51.24 C ATOM 172 O ASP A 792 22.900 14.647 -17.399 1.00 60.43 O ATOM 173 CB ASP A 792 21.930 17.202 -17.927 1.00 32.34 C ATOM 174 CG ASP A 792 23.363 17.607 -17.577 1.00 61.10 C ATOM 175 OD1 ASP A 792 24.025 16.964 -16.749 1.00 33.52 O ATOM 176 OD2 ASP A 792 23.804 18.645 -18.203 1.00 2.00 O ATOM 0 H ASP A 792 22.275 17.455 -15.478 1.00 32.11 H new ATOM 0 HA ASP A 792 20.161 16.380 -17.019 1.00 32.15 H new ATOM 0 HB2 ASP A 792 21.939 16.685 -18.886 1.00 32.34 H new ATOM 0 HB3 ASP A 792 21.335 18.106 -18.057 1.00 32.34 H new ATOM 182 N PHE A 793 20.794 13.940 -16.974 1.00 25.43 N ATOM 183 CA PHE A 793 21.112 12.533 -17.153 1.00 74.03 C ATOM 184 C PHE A 793 21.040 12.139 -18.630 1.00 75.10 C ATOM 185 O PHE A 793 20.636 12.941 -19.471 1.00 61.41 O ATOM 186 CB PHE A 793 20.065 11.735 -16.373 1.00 53.32 C ATOM 187 CG PHE A 793 20.576 10.398 -15.834 1.00 3.13 C ATOM 188 CD1 PHE A 793 21.804 10.324 -15.253 1.00 32.03 C ATOM 189 CD2 PHE A 793 19.804 9.283 -15.935 1.00 54.50 C ATOM 190 CE1 PHE A 793 22.279 9.083 -14.752 1.00 35.11 C ATOM 191 CE2 PHE A 793 20.278 8.042 -15.434 1.00 43.52 C ATOM 192 CZ PHE A 793 21.506 7.968 -14.853 1.00 53.42 C ATOM 0 H PHE A 793 19.820 14.131 -16.739 1.00 25.43 H new ATOM 0 HA PHE A 793 22.123 12.332 -16.799 1.00 74.03 H new ATOM 0 HB2 PHE A 793 19.710 12.340 -15.538 1.00 53.32 H new ATOM 0 HB3 PHE A 793 19.208 11.550 -17.020 1.00 53.32 H new ATOM 0 HD1 PHE A 793 22.418 11.209 -15.173 1.00 32.03 H new ATOM 0 HD2 PHE A 793 18.829 9.342 -16.397 1.00 54.50 H new ATOM 0 HE1 PHE A 793 23.254 9.024 -14.291 1.00 35.11 H new ATOM 0 HE2 PHE A 793 19.664 7.157 -15.514 1.00 43.52 H new ATOM 0 HZ PHE A 793 21.867 7.024 -14.472 1.00 53.42 H new ATOM 202 N CYS A 794 21.437 10.904 -18.900 1.00 51.20 N ATOM 203 CA CYS A 794 21.422 10.394 -20.261 1.00 4.05 C ATOM 204 C CYS A 794 21.245 8.876 -20.202 1.00 73.43 C ATOM 205 O CYS A 794 22.177 8.151 -19.860 1.00 23.53 O ATOM 206 CB CYS A 794 22.685 10.792 -21.027 1.00 63.22 C ATOM 207 SG CYS A 794 22.630 12.573 -21.444 1.00 34.13 S ATOM 0 H CYS A 794 21.771 10.242 -18.200 1.00 51.20 H new ATOM 0 HA CYS A 794 20.589 10.835 -20.809 1.00 4.05 H new ATOM 0 HB2 CYS A 794 23.568 10.578 -20.425 1.00 63.22 H new ATOM 0 HB3 CYS A 794 22.770 10.199 -21.938 1.00 63.22 H new ATOM 0 HG CYS A 794 21.626 13.131 -20.834 1.00 34.13 H new ATOM 213 N ALA A 795 20.041 8.439 -20.542 1.00 53.32 N ATOM 214 CA ALA A 795 19.729 7.020 -20.533 1.00 13.21 C ATOM 215 C ALA A 795 20.516 6.322 -21.644 1.00 2.05 C ATOM 216 O ALA A 795 20.341 6.630 -22.821 1.00 44.34 O ATOM 217 CB ALA A 795 18.218 6.828 -20.680 1.00 50.53 C ATOM 0 H ALA A 795 19.270 9.043 -20.826 1.00 53.32 H new ATOM 0 HA ALA A 795 20.024 6.568 -19.586 1.00 13.21 H new ATOM 0 HB1 ALA A 795 17.984 5.763 -20.673 1.00 50.53 H new ATOM 0 HB2 ALA A 795 17.707 7.317 -19.851 1.00 50.53 H new ATOM 0 HB3 ALA A 795 17.885 7.267 -21.621 1.00 50.53 H new ATOM 223 N ARG A 796 21.366 5.394 -21.229 1.00 4.41 N ATOM 224 CA ARG A 796 22.181 4.650 -22.174 1.00 23.11 C ATOM 225 C ARG A 796 21.420 3.423 -22.680 1.00 52.45 C ATOM 226 O ARG A 796 21.835 2.786 -23.647 1.00 22.10 O ATOM 227 CB ARG A 796 23.494 4.197 -21.532 1.00 43.31 C ATOM 228 CG ARG A 796 24.149 5.342 -20.756 1.00 53.44 C ATOM 229 CD ARG A 796 24.219 6.612 -21.608 1.00 63.40 C ATOM 230 NE ARG A 796 25.389 7.425 -21.207 1.00 53.44 N ATOM 231 CZ ARG A 796 25.812 8.521 -21.873 1.00 65.44 C ATOM 232 NH1 ARG A 796 25.165 8.943 -22.980 1.00 71.21 N ATOM 233 NH2 ARG A 796 26.870 9.172 -21.426 1.00 53.32 N ATOM 0 H ARG A 796 21.508 5.141 -20.251 1.00 4.41 H new ATOM 0 HA ARG A 796 22.407 5.312 -23.010 1.00 23.11 H new ATOM 0 HB2 ARG A 796 23.305 3.360 -20.861 1.00 43.31 H new ATOM 0 HB3 ARG A 796 24.176 3.839 -22.304 1.00 43.31 H new ATOM 0 HG2 ARG A 796 23.582 5.541 -19.846 1.00 53.44 H new ATOM 0 HG3 ARG A 796 25.153 5.050 -20.449 1.00 53.44 H new ATOM 0 HD2 ARG A 796 24.293 6.349 -22.663 1.00 63.40 H new ATOM 0 HD3 ARG A 796 23.304 7.192 -21.487 1.00 63.40 H new ATOM 0 HE ARG A 796 25.908 7.140 -20.376 1.00 53.44 H new ATOM 0 HH11 ARG A 796 24.350 8.433 -23.320 1.00 71.21 H new ATOM 0 HH12 ARG A 796 25.491 9.772 -23.477 1.00 71.21 H new ATOM 0 HH21 ARG A 796 27.354 8.845 -20.590 1.00 53.32 H new ATOM 0 HH22 ARG A 796 27.203 10.002 -21.917 1.00 53.32 H new ATOM 246 N ASP A 797 20.319 3.130 -22.005 1.00 35.40 N ATOM 247 CA ASP A 797 19.495 1.991 -22.375 1.00 23.25 C ATOM 248 C ASP A 797 18.024 2.410 -22.375 1.00 73.42 C ATOM 249 O ASP A 797 17.710 3.589 -22.219 1.00 61.32 O ATOM 250 CB ASP A 797 19.660 0.845 -21.375 1.00 21.53 C ATOM 251 CG ASP A 797 21.059 0.709 -20.771 1.00 44.20 C ATOM 252 OD1 ASP A 797 21.227 0.707 -19.542 1.00 65.35 O ATOM 253 OD2 ASP A 797 22.016 0.602 -21.630 1.00 73.32 O ATOM 0 H ASP A 797 19.978 3.661 -21.204 1.00 35.40 H new ATOM 0 HA ASP A 797 19.808 1.655 -23.364 1.00 23.25 H new ATOM 0 HB2 ASP A 797 18.943 0.983 -20.566 1.00 21.53 H new ATOM 0 HB3 ASP A 797 19.403 -0.090 -21.872 1.00 21.53 H new ATOM 259 N ARG A 798 17.160 1.421 -22.552 1.00 61.55 N ATOM 260 CA ARG A 798 15.729 1.672 -22.576 1.00 21.45 C ATOM 261 C ARG A 798 15.122 1.409 -21.196 1.00 11.21 C ATOM 262 O ARG A 798 13.984 1.794 -20.931 1.00 41.22 O ATOM 263 CB ARG A 798 15.031 0.786 -23.609 1.00 61.52 C ATOM 264 CG ARG A 798 15.510 -0.664 -23.502 1.00 14.24 C ATOM 265 CD ARG A 798 16.673 -0.930 -24.459 1.00 52.33 C ATOM 266 NE ARG A 798 16.157 -1.398 -25.765 1.00 34.53 N ATOM 267 CZ ARG A 798 15.677 -2.641 -25.987 1.00 44.21 C ATOM 268 NH1 ARG A 798 15.645 -3.551 -24.991 1.00 33.22 N ATOM 269 NH2 ARG A 798 15.241 -2.952 -27.194 1.00 24.15 N ATOM 0 H ARG A 798 17.424 0.444 -22.680 1.00 61.55 H new ATOM 0 HA ARG A 798 15.580 2.716 -22.851 1.00 21.45 H new ATOM 0 HB2 ARG A 798 13.952 0.828 -23.460 1.00 61.52 H new ATOM 0 HB3 ARG A 798 15.229 1.165 -24.612 1.00 61.52 H new ATOM 0 HG2 ARG A 798 15.822 -0.873 -22.479 1.00 14.24 H new ATOM 0 HG3 ARG A 798 14.686 -1.340 -23.729 1.00 14.24 H new ATOM 0 HD2 ARG A 798 17.258 -0.021 -24.595 1.00 52.33 H new ATOM 0 HD3 ARG A 798 17.341 -1.679 -24.033 1.00 52.33 H new ATOM 0 HE ARG A 798 16.164 -0.741 -26.546 1.00 34.53 H new ATOM 0 HH11 ARG A 798 15.985 -3.302 -24.062 1.00 33.22 H new ATOM 0 HH12 ARG A 798 15.281 -4.487 -25.167 1.00 33.22 H new ATOM 0 HH21 ARG A 798 15.270 -2.258 -27.941 1.00 24.15 H new ATOM 0 HH22 ARG A 798 14.875 -3.886 -27.379 1.00 24.15 H new ATOM 282 N SER A 799 15.908 0.756 -20.353 1.00 61.32 N ATOM 283 CA SER A 799 15.462 0.437 -19.007 1.00 41.44 C ATOM 284 C SER A 799 15.783 1.597 -18.062 1.00 21.42 C ATOM 285 O SER A 799 15.384 1.582 -16.898 1.00 40.24 O ATOM 286 CB SER A 799 16.110 -0.854 -18.503 1.00 40.34 C ATOM 287 OG SER A 799 17.468 -0.655 -18.118 1.00 54.33 O ATOM 0 H SER A 799 16.851 0.439 -20.576 1.00 61.32 H new ATOM 0 HA SER A 799 14.383 0.284 -19.031 1.00 41.44 H new ATOM 0 HB2 SER A 799 15.544 -1.236 -17.653 1.00 40.34 H new ATOM 0 HB3 SER A 799 16.062 -1.613 -19.284 1.00 40.34 H new ATOM 0 HG SER A 799 17.845 -1.502 -17.801 1.00 54.33 H new ATOM 293 N GLU A 800 16.501 2.573 -18.597 1.00 1.11 N ATOM 294 CA GLU A 800 16.880 3.738 -17.815 1.00 64.13 C ATOM 295 C GLU A 800 15.956 4.915 -18.134 1.00 62.22 C ATOM 296 O GLU A 800 15.453 5.029 -19.251 1.00 4.01 O ATOM 297 CB GLU A 800 18.345 4.109 -18.059 1.00 75.31 C ATOM 298 CG GLU A 800 18.910 4.910 -16.885 1.00 22.23 C ATOM 299 CD GLU A 800 19.617 3.992 -15.885 1.00 45.23 C ATOM 300 OE1 GLU A 800 20.231 4.479 -14.924 1.00 31.33 O ATOM 301 OE2 GLU A 800 19.513 2.731 -16.135 1.00 33.25 O ATOM 0 H GLU A 800 16.830 2.581 -19.562 1.00 1.11 H new ATOM 0 HA GLU A 800 16.772 3.493 -16.758 1.00 64.13 H new ATOM 0 HB2 GLU A 800 18.934 3.203 -18.203 1.00 75.31 H new ATOM 0 HB3 GLU A 800 18.428 4.693 -18.976 1.00 75.31 H new ATOM 0 HG2 GLU A 800 19.610 5.659 -17.255 1.00 22.23 H new ATOM 0 HG3 GLU A 800 18.104 5.447 -16.385 1.00 22.23 H new ATOM 309 N LEU A 801 15.761 5.760 -17.133 1.00 55.31 N ATOM 310 CA LEU A 801 14.906 6.924 -17.293 1.00 13.42 C ATOM 311 C LEU A 801 15.734 8.088 -17.841 1.00 13.41 C ATOM 312 O LEU A 801 16.860 8.314 -17.402 1.00 4.31 O ATOM 313 CB LEU A 801 14.187 7.245 -15.981 1.00 13.20 C ATOM 314 CG LEU A 801 12.780 7.833 -16.113 1.00 43.13 C ATOM 315 CD1 LEU A 801 12.205 8.192 -14.742 1.00 33.30 C ATOM 316 CD2 LEU A 801 12.773 9.028 -17.068 1.00 43.53 C ATOM 0 H LEU A 801 16.180 5.662 -16.208 1.00 55.31 H new ATOM 0 HA LEU A 801 14.119 6.722 -18.020 1.00 13.42 H new ATOM 0 HB2 LEU A 801 14.123 6.330 -15.392 1.00 13.20 H new ATOM 0 HB3 LEU A 801 14.801 7.946 -15.416 1.00 13.20 H new ATOM 0 HG LEU A 801 12.131 7.072 -16.545 1.00 43.13 H new ATOM 0 HD11 LEU A 801 11.205 8.608 -14.864 1.00 33.30 H new ATOM 0 HD12 LEU A 801 12.152 7.296 -14.124 1.00 33.30 H new ATOM 0 HD13 LEU A 801 12.847 8.929 -14.260 1.00 33.30 H new ATOM 0 HD21 LEU A 801 11.762 9.427 -17.144 1.00 43.53 H new ATOM 0 HD22 LEU A 801 13.441 9.801 -16.688 1.00 43.53 H new ATOM 0 HD23 LEU A 801 13.112 8.708 -18.053 1.00 43.53 H new ATOM 328 N SER A 802 15.143 8.797 -18.792 1.00 61.42 N ATOM 329 CA SER A 802 15.812 9.932 -19.405 1.00 21.31 C ATOM 330 C SER A 802 15.556 11.196 -18.583 1.00 12.33 C ATOM 331 O SER A 802 14.524 11.846 -18.742 1.00 53.21 O ATOM 332 CB SER A 802 15.345 10.133 -20.848 1.00 2.02 C ATOM 333 OG SER A 802 13.977 9.774 -21.021 1.00 61.13 O ATOM 0 H SER A 802 14.208 8.607 -19.153 1.00 61.42 H new ATOM 0 HA SER A 802 16.883 9.729 -19.424 1.00 21.31 H new ATOM 0 HB2 SER A 802 15.485 11.176 -21.132 1.00 2.02 H new ATOM 0 HB3 SER A 802 15.964 9.535 -21.516 1.00 2.02 H new ATOM 0 HG SER A 802 13.427 10.257 -20.369 1.00 61.13 H new ATOM 339 N LEU A 803 16.513 11.507 -17.721 1.00 50.40 N ATOM 340 CA LEU A 803 16.404 12.683 -16.874 1.00 30.35 C ATOM 341 C LEU A 803 17.010 13.887 -17.598 1.00 34.50 C ATOM 342 O LEU A 803 17.803 13.724 -18.524 1.00 30.32 O ATOM 343 CB LEU A 803 17.026 12.414 -15.502 1.00 20.42 C ATOM 344 CG LEU A 803 16.059 11.973 -14.401 1.00 55.43 C ATOM 345 CD1 LEU A 803 14.935 11.107 -14.973 1.00 54.55 C ATOM 346 CD2 LEU A 803 16.804 11.269 -13.266 1.00 34.22 C ATOM 0 H LEU A 803 17.367 10.965 -17.591 1.00 50.40 H new ATOM 0 HA LEU A 803 15.357 12.919 -16.684 1.00 30.35 H new ATOM 0 HB2 LEU A 803 17.790 11.645 -15.616 1.00 20.42 H new ATOM 0 HB3 LEU A 803 17.533 13.320 -15.171 1.00 20.42 H new ATOM 0 HG LEU A 803 15.595 12.864 -13.977 1.00 55.43 H new ATOM 0 HD11 LEU A 803 14.262 10.807 -14.170 1.00 54.55 H new ATOM 0 HD12 LEU A 803 14.380 11.677 -15.718 1.00 54.55 H new ATOM 0 HD13 LEU A 803 15.361 10.219 -15.440 1.00 54.55 H new ATOM 0 HD21 LEU A 803 16.093 10.966 -12.497 1.00 34.22 H new ATOM 0 HD22 LEU A 803 17.313 10.388 -13.657 1.00 34.22 H new ATOM 0 HD23 LEU A 803 17.537 11.950 -12.834 1.00 34.22 H new ATOM 358 N LYS A 804 16.612 15.068 -17.149 1.00 44.11 N ATOM 359 CA LYS A 804 17.106 16.299 -17.743 1.00 61.10 C ATOM 360 C LYS A 804 16.839 17.464 -16.788 1.00 23.12 C ATOM 361 O LYS A 804 15.688 17.772 -16.486 1.00 15.33 O ATOM 362 CB LYS A 804 16.509 16.498 -19.138 1.00 21.04 C ATOM 363 CG LYS A 804 17.328 17.507 -19.946 1.00 31.33 C ATOM 364 CD LYS A 804 18.421 16.804 -20.753 1.00 42.11 C ATOM 365 CE LYS A 804 17.883 16.323 -22.102 1.00 42.32 C ATOM 366 NZ LYS A 804 18.980 16.217 -23.090 1.00 25.14 N ATOM 0 H LYS A 804 15.953 15.199 -16.381 1.00 44.11 H new ATOM 0 HA LYS A 804 18.185 16.246 -17.888 1.00 61.10 H new ATOM 0 HB2 LYS A 804 16.479 15.544 -19.664 1.00 21.04 H new ATOM 0 HB3 LYS A 804 15.480 16.846 -19.051 1.00 21.04 H new ATOM 0 HG2 LYS A 804 16.671 18.058 -20.619 1.00 31.33 H new ATOM 0 HG3 LYS A 804 17.780 18.236 -19.273 1.00 31.33 H new ATOM 0 HD2 LYS A 804 19.256 17.486 -20.913 1.00 42.11 H new ATOM 0 HD3 LYS A 804 18.807 15.956 -20.188 1.00 42.11 H new ATOM 0 HE2 LYS A 804 17.399 15.354 -21.982 1.00 42.32 H new ATOM 0 HE3 LYS A 804 17.124 17.016 -22.465 1.00 42.32 H new ATOM 0 HZ1 LYS A 804 18.597 15.889 -24.000 1.00 25.14 H new ATOM 0 HZ2 LYS A 804 19.424 17.149 -23.217 1.00 25.14 H new ATOM 0 HZ3 LYS A 804 19.690 15.538 -22.749 1.00 25.14 H new ATOM 379 N GLU A 805 17.923 18.079 -16.339 1.00 3.31 N ATOM 380 CA GLU A 805 17.821 19.204 -15.424 1.00 72.40 C ATOM 381 C GLU A 805 16.686 20.136 -15.854 1.00 22.13 C ATOM 382 O GLU A 805 16.519 20.410 -17.041 1.00 44.02 O ATOM 383 CB GLU A 805 19.148 19.960 -15.334 1.00 54.01 C ATOM 384 CG GLU A 805 20.046 19.363 -14.249 1.00 45.41 C ATOM 385 CD GLU A 805 21.522 19.632 -14.551 1.00 62.41 C ATOM 386 OE1 GLU A 805 22.251 20.136 -13.684 1.00 12.22 O ATOM 387 OE2 GLU A 805 21.906 19.295 -15.736 1.00 2.12 O ATOM 0 H GLU A 805 18.877 17.820 -16.592 1.00 3.31 H new ATOM 0 HA GLU A 805 17.592 18.820 -14.430 1.00 72.40 H new ATOM 0 HB2 GLU A 805 19.659 19.921 -16.296 1.00 54.01 H new ATOM 0 HB3 GLU A 805 18.958 21.011 -15.116 1.00 54.01 H new ATOM 0 HG2 GLU A 805 19.785 19.790 -13.280 1.00 45.41 H new ATOM 0 HG3 GLU A 805 19.875 18.289 -14.180 1.00 45.41 H new ATOM 395 N GLY A 806 15.936 20.597 -14.864 1.00 54.44 N ATOM 396 CA GLY A 806 14.822 21.493 -15.125 1.00 54.12 C ATOM 397 C GLY A 806 13.567 20.709 -15.514 1.00 72.21 C ATOM 398 O GLY A 806 12.563 21.296 -15.916 1.00 22.32 O ATOM 0 H GLY A 806 16.078 20.367 -13.880 1.00 54.44 H new ATOM 0 HA2 GLY A 806 14.619 22.095 -14.239 1.00 54.12 H new ATOM 0 HA3 GLY A 806 15.086 22.184 -15.926 1.00 54.12 H new ATOM 402 N ASP A 807 13.664 19.394 -15.381 1.00 45.20 N ATOM 403 CA ASP A 807 12.550 18.523 -15.713 1.00 52.45 C ATOM 404 C ASP A 807 12.039 17.847 -14.440 1.00 23.23 C ATOM 405 O ASP A 807 12.733 17.823 -13.424 1.00 50.52 O ATOM 406 CB ASP A 807 12.979 17.428 -16.691 1.00 63.12 C ATOM 407 CG ASP A 807 13.544 17.933 -18.020 1.00 62.45 C ATOM 408 OD1 ASP A 807 13.331 17.321 -19.078 1.00 42.41 O ATOM 409 OD2 ASP A 807 14.239 19.016 -17.941 1.00 43.40 O ATOM 0 H ASP A 807 14.498 18.911 -15.047 1.00 45.20 H new ATOM 0 HA ASP A 807 11.772 19.132 -16.173 1.00 52.45 H new ATOM 0 HB2 ASP A 807 13.731 16.804 -16.208 1.00 63.12 H new ATOM 0 HB3 ASP A 807 12.120 16.790 -16.898 1.00 63.12 H new ATOM 415 N ILE A 808 10.831 17.313 -14.535 1.00 74.23 N ATOM 416 CA ILE A 808 10.219 16.638 -13.403 1.00 61.52 C ATOM 417 C ILE A 808 10.066 15.150 -13.725 1.00 35.42 C ATOM 418 O ILE A 808 9.828 14.780 -14.874 1.00 13.43 O ATOM 419 CB ILE A 808 8.906 17.322 -13.016 1.00 65.23 C ATOM 420 CG1 ILE A 808 8.233 17.947 -14.240 1.00 33.14 C ATOM 421 CG2 ILE A 808 9.129 18.344 -11.900 1.00 23.23 C ATOM 422 CD1 ILE A 808 8.841 19.313 -14.562 1.00 12.41 C ATOM 0 H ILE A 808 10.259 17.334 -15.379 1.00 74.23 H new ATOM 0 HA ILE A 808 10.860 16.711 -12.524 1.00 61.52 H new ATOM 0 HB ILE A 808 8.227 16.564 -12.627 1.00 65.23 H new ATOM 0 HG12 ILE A 808 8.344 17.284 -15.098 1.00 33.14 H new ATOM 0 HG13 ILE A 808 7.164 18.055 -14.056 1.00 33.14 H new ATOM 0 HG21 ILE A 808 8.180 18.816 -11.644 1.00 23.23 H new ATOM 0 HG22 ILE A 808 9.533 17.841 -11.021 1.00 23.23 H new ATOM 0 HG23 ILE A 808 9.833 19.105 -12.238 1.00 23.23 H new ATOM 0 HD11 ILE A 808 8.345 19.735 -15.436 1.00 12.41 H new ATOM 0 HD12 ILE A 808 8.707 19.981 -13.711 1.00 12.41 H new ATOM 0 HD13 ILE A 808 9.905 19.198 -14.769 1.00 12.41 H new ATOM 434 N ILE A 809 10.208 14.335 -12.689 1.00 53.43 N ATOM 435 CA ILE A 809 10.088 12.896 -12.847 1.00 72.10 C ATOM 436 C ILE A 809 8.851 12.406 -12.092 1.00 74.20 C ATOM 437 O ILE A 809 8.793 12.491 -10.866 1.00 72.13 O ATOM 438 CB ILE A 809 11.383 12.201 -12.422 1.00 72.44 C ATOM 439 CG1 ILE A 809 12.427 12.257 -13.539 1.00 41.13 C ATOM 440 CG2 ILE A 809 11.110 10.766 -11.964 1.00 44.43 C ATOM 441 CD1 ILE A 809 13.168 13.596 -13.530 1.00 74.14 C ATOM 0 H ILE A 809 10.405 14.645 -11.737 1.00 53.43 H new ATOM 0 HA ILE A 809 9.944 12.638 -13.896 1.00 72.10 H new ATOM 0 HB ILE A 809 11.795 12.739 -11.568 1.00 72.44 H new ATOM 0 HG12 ILE A 809 13.140 11.442 -13.416 1.00 41.13 H new ATOM 0 HG13 ILE A 809 11.941 12.113 -14.504 1.00 41.13 H new ATOM 0 HG21 ILE A 809 12.047 10.294 -11.667 1.00 44.43 H new ATOM 0 HG22 ILE A 809 10.426 10.779 -11.116 1.00 44.43 H new ATOM 0 HG23 ILE A 809 10.663 10.202 -12.782 1.00 44.43 H new ATOM 0 HD11 ILE A 809 13.904 13.610 -14.334 1.00 74.14 H new ATOM 0 HD12 ILE A 809 12.455 14.407 -13.677 1.00 74.14 H new ATOM 0 HD13 ILE A 809 13.673 13.726 -12.573 1.00 74.14 H new ATOM 453 N LYS A 810 7.891 11.904 -12.855 1.00 63.45 N ATOM 454 CA LYS A 810 6.659 11.400 -12.274 1.00 34.20 C ATOM 455 C LYS A 810 6.956 10.123 -11.485 1.00 5.43 C ATOM 456 O LYS A 810 7.353 9.111 -12.061 1.00 13.42 O ATOM 457 CB LYS A 810 5.591 11.220 -13.355 1.00 32.52 C ATOM 458 CG LYS A 810 4.429 10.366 -12.841 1.00 43.21 C ATOM 459 CD LYS A 810 3.995 10.816 -11.445 1.00 35.53 C ATOM 460 CE LYS A 810 2.482 10.669 -11.268 1.00 30.53 C ATOM 461 NZ LYS A 810 2.128 10.646 -9.831 1.00 1.02 N ATOM 0 H LYS A 810 7.942 11.836 -13.871 1.00 63.45 H new ATOM 0 HA LYS A 810 6.248 12.122 -11.569 1.00 34.20 H new ATOM 0 HB2 LYS A 810 5.219 12.195 -13.670 1.00 32.52 H new ATOM 0 HB3 LYS A 810 6.033 10.749 -14.233 1.00 32.52 H new ATOM 0 HG2 LYS A 810 3.587 10.439 -13.529 1.00 43.21 H new ATOM 0 HG3 LYS A 810 4.727 9.318 -12.813 1.00 43.21 H new ATOM 0 HD2 LYS A 810 4.512 10.223 -10.691 1.00 35.53 H new ATOM 0 HD3 LYS A 810 4.284 11.855 -11.288 1.00 35.53 H new ATOM 0 HE2 LYS A 810 1.970 11.495 -11.761 1.00 30.53 H new ATOM 0 HE3 LYS A 810 2.141 9.751 -11.747 1.00 30.53 H new ATOM 0 HZ1 LYS A 810 1.098 10.546 -9.729 1.00 1.02 H new ATOM 0 HZ2 LYS A 810 2.601 9.843 -9.370 1.00 1.02 H new ATOM 0 HZ3 LYS A 810 2.436 11.533 -9.383 1.00 1.02 H new ATOM 474 N ILE A 811 6.754 10.213 -10.178 1.00 62.24 N ATOM 475 CA ILE A 811 6.996 9.078 -9.304 1.00 62.43 C ATOM 476 C ILE A 811 5.881 8.047 -9.494 1.00 24.14 C ATOM 477 O ILE A 811 4.701 8.391 -9.463 1.00 50.21 O ATOM 478 CB ILE A 811 7.164 9.543 -7.856 1.00 63.44 C ATOM 479 CG1 ILE A 811 8.146 10.713 -7.767 1.00 14.21 C ATOM 480 CG2 ILE A 811 7.576 8.380 -6.951 1.00 75.52 C ATOM 481 CD1 ILE A 811 9.587 10.213 -7.653 1.00 70.13 C ATOM 0 H ILE A 811 6.426 11.054 -9.704 1.00 62.24 H new ATOM 0 HA ILE A 811 7.933 8.587 -9.567 1.00 62.43 H new ATOM 0 HB ILE A 811 6.199 9.903 -7.499 1.00 63.44 H new ATOM 0 HG12 ILE A 811 8.045 11.345 -8.650 1.00 14.21 H new ATOM 0 HG13 ILE A 811 7.903 11.332 -6.903 1.00 14.21 H new ATOM 0 HG21 ILE A 811 7.689 8.738 -5.928 1.00 75.52 H new ATOM 0 HG22 ILE A 811 6.810 7.605 -6.982 1.00 75.52 H new ATOM 0 HG23 ILE A 811 8.524 7.967 -7.297 1.00 75.52 H new ATOM 0 HD11 ILE A 811 10.264 11.065 -7.591 1.00 70.13 H new ATOM 0 HD12 ILE A 811 9.690 9.602 -6.756 1.00 70.13 H new ATOM 0 HD13 ILE A 811 9.835 9.615 -8.530 1.00 70.13 H new ATOM 493 N LEU A 812 6.296 6.803 -9.685 1.00 54.01 N ATOM 494 CA LEU A 812 5.347 5.720 -9.879 1.00 73.15 C ATOM 495 C LEU A 812 5.557 4.663 -8.793 1.00 74.25 C ATOM 496 O LEU A 812 4.593 4.163 -8.215 1.00 24.44 O ATOM 497 CB LEU A 812 5.448 5.168 -11.303 1.00 31.22 C ATOM 498 CG LEU A 812 5.635 6.204 -12.413 1.00 3.45 C ATOM 499 CD1 LEU A 812 6.421 5.616 -13.586 1.00 31.42 C ATOM 500 CD2 LEU A 812 4.290 6.782 -12.856 1.00 52.11 C ATOM 0 H LEU A 812 7.276 6.521 -9.710 1.00 54.01 H new ATOM 0 HA LEU A 812 4.325 6.085 -9.775 1.00 73.15 H new ATOM 0 HB2 LEU A 812 6.283 4.469 -11.342 1.00 31.22 H new ATOM 0 HB3 LEU A 812 4.544 4.597 -11.515 1.00 31.22 H new ATOM 0 HG LEU A 812 6.224 7.030 -12.013 1.00 3.45 H new ATOM 0 HD11 LEU A 812 6.539 6.373 -14.361 1.00 31.42 H new ATOM 0 HD12 LEU A 812 7.403 5.293 -13.241 1.00 31.42 H new ATOM 0 HD13 LEU A 812 5.881 4.761 -13.994 1.00 31.42 H new ATOM 0 HD21 LEU A 812 4.452 7.516 -13.646 1.00 52.11 H new ATOM 0 HD22 LEU A 812 3.655 5.979 -13.231 1.00 52.11 H new ATOM 0 HD23 LEU A 812 3.804 7.263 -12.008 1.00 52.11 H new ATOM 512 N ASN A 813 6.822 4.354 -8.550 1.00 32.11 N ATOM 513 CA ASN A 813 7.170 3.365 -7.544 1.00 4.34 C ATOM 514 C ASN A 813 8.427 3.823 -6.799 1.00 75.44 C ATOM 515 O ASN A 813 9.252 4.547 -7.354 1.00 30.41 O ATOM 516 CB ASN A 813 7.468 2.008 -8.185 1.00 3.44 C ATOM 517 CG ASN A 813 6.240 1.098 -8.137 1.00 32.22 C ATOM 518 OD1 ASN A 813 5.307 1.229 -8.912 1.00 40.32 O ATOM 519 ND2 ASN A 813 6.291 0.170 -7.186 1.00 20.33 N ATOM 0 H ASN A 813 7.618 4.771 -9.032 1.00 32.11 H new ATOM 0 HA ASN A 813 6.325 3.264 -6.863 1.00 4.34 H new ATOM 0 HB2 ASN A 813 7.779 2.151 -9.220 1.00 3.44 H new ATOM 0 HB3 ASN A 813 8.299 1.531 -7.666 1.00 3.44 H new ATOM 0 HD21 ASN A 813 5.519 -0.487 -7.072 1.00 20.33 H new ATOM 0 HD22 ASN A 813 7.102 0.115 -6.570 1.00 20.33 H new ATOM 526 N LYS A 814 8.532 3.381 -5.555 1.00 13.24 N ATOM 527 CA LYS A 814 9.673 3.736 -4.729 1.00 3.14 C ATOM 528 C LYS A 814 10.230 2.474 -4.066 1.00 53.20 C ATOM 529 O LYS A 814 9.800 2.101 -2.976 1.00 25.44 O ATOM 530 CB LYS A 814 9.294 4.836 -3.735 1.00 44.33 C ATOM 531 CG LYS A 814 9.454 6.222 -4.364 1.00 61.25 C ATOM 532 CD LYS A 814 9.811 7.267 -3.306 1.00 11.14 C ATOM 533 CE LYS A 814 10.195 8.597 -3.956 1.00 42.42 C ATOM 534 NZ LYS A 814 9.004 9.461 -4.112 1.00 54.35 N ATOM 0 H LYS A 814 7.846 2.780 -5.099 1.00 13.24 H new ATOM 0 HA LYS A 814 10.471 4.154 -5.342 1.00 3.14 H new ATOM 0 HB2 LYS A 814 8.263 4.697 -3.409 1.00 44.33 H new ATOM 0 HB3 LYS A 814 9.922 4.761 -2.847 1.00 44.33 H new ATOM 0 HG2 LYS A 814 10.232 6.191 -5.127 1.00 61.25 H new ATOM 0 HG3 LYS A 814 8.528 6.507 -4.864 1.00 61.25 H new ATOM 0 HD2 LYS A 814 8.963 7.417 -2.637 1.00 11.14 H new ATOM 0 HD3 LYS A 814 10.638 6.904 -2.696 1.00 11.14 H new ATOM 0 HE2 LYS A 814 10.942 9.104 -3.346 1.00 42.42 H new ATOM 0 HE3 LYS A 814 10.649 8.415 -4.930 1.00 42.42 H new ATOM 0 HZ1 LYS A 814 9.038 9.936 -5.037 1.00 54.35 H new ATOM 0 HZ2 LYS A 814 8.143 8.880 -4.053 1.00 54.35 H new ATOM 0 HZ3 LYS A 814 8.992 10.175 -3.356 1.00 54.35 H new ATOM 609 N GLY A 819 18.642 3.636 -3.342 1.00 4.23 N ATOM 610 CA GLY A 819 18.767 2.965 -4.625 1.00 12.15 C ATOM 611 C GLY A 819 18.348 3.890 -5.770 1.00 23.53 C ATOM 612 O GLY A 819 19.051 4.848 -6.087 1.00 13.34 O ATOM 0 HA2 GLY A 819 19.798 2.642 -4.772 1.00 12.15 H new ATOM 0 HA3 GLY A 819 18.148 2.068 -4.632 1.00 12.15 H new ATOM 616 N TRP A 820 17.206 3.569 -6.359 1.00 71.22 N ATOM 617 CA TRP A 820 16.686 4.358 -7.462 1.00 55.54 C ATOM 618 C TRP A 820 15.164 4.428 -7.318 1.00 31.23 C ATOM 619 O TRP A 820 14.587 3.759 -6.461 1.00 41.34 O ATOM 620 CB TRP A 820 17.133 3.783 -8.807 1.00 75.35 C ATOM 621 CG TRP A 820 16.666 2.347 -9.056 1.00 31.02 C ATOM 622 CD1 TRP A 820 15.863 1.596 -8.289 1.00 42.13 C ATOM 623 CD2 TRP A 820 17.008 1.515 -10.184 1.00 24.50 C ATOM 624 NE1 TRP A 820 15.664 0.346 -8.838 1.00 61.34 N ATOM 625 CE2 TRP A 820 16.383 0.295 -10.027 1.00 74.33 C ATOM 626 CE3 TRP A 820 17.820 1.784 -11.300 1.00 60.41 C ATOM 627 CZ2 TRP A 820 16.503 -0.753 -10.948 1.00 41.34 C ATOM 628 CZ3 TRP A 820 17.930 0.727 -12.211 1.00 63.54 C ATOM 629 CH2 TRP A 820 17.307 -0.507 -12.068 1.00 71.51 C ATOM 0 H TRP A 820 16.626 2.773 -6.093 1.00 71.22 H new ATOM 0 HA TRP A 820 17.086 5.372 -7.432 1.00 55.54 H new ATOM 0 HB2 TRP A 820 16.756 4.421 -9.607 1.00 75.35 H new ATOM 0 HB3 TRP A 820 18.221 3.815 -8.861 1.00 75.35 H new ATOM 0 HD1 TRP A 820 15.427 1.928 -7.358 1.00 42.13 H new ATOM 0 HE1 TRP A 820 15.094 -0.403 -8.444 1.00 61.34 H new ATOM 0 HE3 TRP A 820 18.319 2.731 -11.443 1.00 60.41 H new ATOM 0 HZ2 TRP A 820 16.003 -1.699 -10.803 1.00 41.34 H new ATOM 0 HZ3 TRP A 820 18.542 0.881 -13.087 1.00 63.54 H new ATOM 0 HH2 TRP A 820 17.442 -1.273 -12.817 1.00 71.51 H new ATOM 640 N TRP A 821 14.557 5.243 -8.168 1.00 62.32 N ATOM 641 CA TRP A 821 13.114 5.408 -8.146 1.00 12.01 C ATOM 642 C TRP A 821 12.590 5.182 -9.566 1.00 20.24 C ATOM 643 O TRP A 821 13.271 5.498 -10.540 1.00 71.30 O ATOM 644 CB TRP A 821 12.727 6.775 -7.577 1.00 23.42 C ATOM 645 CG TRP A 821 12.772 6.848 -6.049 1.00 61.22 C ATOM 646 CD1 TRP A 821 12.559 5.860 -5.169 1.00 70.13 C ATOM 647 CD2 TRP A 821 13.058 8.017 -5.252 1.00 72.35 C ATOM 648 NE1 TRP A 821 12.686 6.305 -3.869 1.00 31.40 N ATOM 649 CE2 TRP A 821 12.999 7.658 -3.921 1.00 70.13 C ATOM 650 CE3 TRP A 821 13.356 9.334 -5.644 1.00 24.22 C ATOM 651 CZ2 TRP A 821 13.227 8.558 -2.874 1.00 0.32 C ATOM 652 CZ3 TRP A 821 13.582 10.222 -4.585 1.00 33.41 C ATOM 653 CH2 TRP A 821 13.526 9.876 -3.240 1.00 0.12 C ATOM 0 H TRP A 821 15.039 5.796 -8.877 1.00 62.32 H new ATOM 0 HA TRP A 821 12.652 4.675 -7.484 1.00 12.01 H new ATOM 0 HB2 TRP A 821 13.397 7.531 -7.987 1.00 23.42 H new ATOM 0 HB3 TRP A 821 11.721 7.026 -7.913 1.00 23.42 H new ATOM 0 HD1 TRP A 821 12.318 4.843 -5.443 1.00 70.13 H new ATOM 0 HE1 TRP A 821 12.571 5.744 -3.025 1.00 31.40 H new ATOM 0 HE3 TRP A 821 13.407 9.637 -6.679 1.00 24.22 H new ATOM 0 HZ2 TRP A 821 13.175 8.252 -1.839 1.00 0.32 H new ATOM 0 HZ3 TRP A 821 13.816 11.247 -4.831 1.00 33.41 H new ATOM 0 HH2 TRP A 821 13.712 10.621 -2.480 1.00 0.12 H new ATOM 664 N ARG A 822 11.385 4.636 -9.637 1.00 53.54 N ATOM 665 CA ARG A 822 10.762 4.364 -10.922 1.00 13.24 C ATOM 666 C ARG A 822 9.789 5.487 -11.288 1.00 43.15 C ATOM 667 O ARG A 822 8.792 5.698 -10.601 1.00 14.32 O ATOM 668 CB ARG A 822 10.007 3.033 -10.897 1.00 3.44 C ATOM 669 CG ARG A 822 9.763 2.515 -12.315 1.00 64.23 C ATOM 670 CD ARG A 822 8.472 1.698 -12.386 1.00 34.01 C ATOM 671 NE ARG A 822 8.771 0.260 -12.205 1.00 65.04 N ATOM 672 CZ ARG A 822 9.088 -0.580 -13.214 1.00 51.41 C ATOM 673 NH1 ARG A 822 9.148 -0.131 -14.486 1.00 3.31 N ATOM 674 NH2 ARG A 822 9.337 -1.846 -12.938 1.00 61.23 N ATOM 0 H ARG A 822 10.824 4.375 -8.827 1.00 53.54 H new ATOM 0 HA ARG A 822 11.554 4.306 -11.669 1.00 13.24 H new ATOM 0 HB2 ARG A 822 10.578 2.297 -10.330 1.00 3.44 H new ATOM 0 HB3 ARG A 822 9.054 3.161 -10.384 1.00 3.44 H new ATOM 0 HG2 ARG A 822 9.705 3.355 -13.008 1.00 64.23 H new ATOM 0 HG3 ARG A 822 10.605 1.899 -12.631 1.00 64.23 H new ATOM 0 HD2 ARG A 822 7.777 2.033 -11.616 1.00 34.01 H new ATOM 0 HD3 ARG A 822 7.983 1.858 -13.347 1.00 34.01 H new ATOM 0 HE ARG A 822 8.735 -0.120 -11.259 1.00 65.04 H new ATOM 0 HH11 ARG A 822 8.953 0.849 -14.691 1.00 3.31 H new ATOM 0 HH12 ARG A 822 9.388 -0.772 -15.242 1.00 3.31 H new ATOM 0 HH21 ARG A 822 9.289 -2.177 -11.974 1.00 61.23 H new ATOM 0 HH22 ARG A 822 9.578 -2.494 -13.688 1.00 61.23 H new ATOM 687 N GLY A 823 10.114 6.178 -12.371 1.00 62.34 N ATOM 688 CA GLY A 823 9.282 7.274 -12.838 1.00 31.41 C ATOM 689 C GLY A 823 9.261 7.334 -14.367 1.00 1.13 C ATOM 690 O GLY A 823 9.779 6.440 -15.034 1.00 34.31 O ATOM 0 H GLY A 823 10.943 6.000 -12.939 1.00 62.34 H new ATOM 0 HA2 GLY A 823 8.267 7.150 -12.461 1.00 31.41 H new ATOM 0 HA3 GLY A 823 9.658 8.216 -12.439 1.00 31.41 H new ATOM 694 N GLU A 824 8.658 8.398 -14.877 1.00 33.52 N ATOM 695 CA GLU A 824 8.563 8.586 -16.314 1.00 53.54 C ATOM 696 C GLU A 824 8.705 10.069 -16.665 1.00 70.25 C ATOM 697 O GLU A 824 8.649 10.927 -15.786 1.00 31.11 O ATOM 698 CB GLU A 824 7.250 8.018 -16.856 1.00 53.24 C ATOM 699 CG GLU A 824 6.120 9.044 -16.744 1.00 2.23 C ATOM 700 CD GLU A 824 4.822 8.382 -16.276 1.00 65.24 C ATOM 701 OE1 GLU A 824 4.203 8.847 -15.308 1.00 73.23 O ATOM 702 OE2 GLU A 824 4.462 7.348 -16.958 1.00 72.15 O ATOM 0 H GLU A 824 8.231 9.138 -14.321 1.00 33.52 H new ATOM 0 HA GLU A 824 9.379 8.040 -16.787 1.00 53.54 H new ATOM 0 HB2 GLU A 824 7.379 7.726 -17.898 1.00 53.24 H new ATOM 0 HB3 GLU A 824 6.984 7.117 -16.303 1.00 53.24 H new ATOM 0 HG2 GLU A 824 6.405 9.829 -16.044 1.00 2.23 H new ATOM 0 HG3 GLU A 824 5.961 9.522 -17.711 1.00 2.23 H new ATOM 710 N ILE A 825 8.886 10.324 -17.953 1.00 4.42 N ATOM 711 CA ILE A 825 9.037 11.688 -18.431 1.00 1.30 C ATOM 712 C ILE A 825 8.669 11.747 -19.915 1.00 11.42 C ATOM 713 O ILE A 825 9.250 11.034 -20.731 1.00 72.21 O ATOM 714 CB ILE A 825 10.442 12.211 -18.125 1.00 10.24 C ATOM 715 CG1 ILE A 825 10.542 12.697 -16.677 1.00 45.53 C ATOM 716 CG2 ILE A 825 10.853 13.295 -19.123 1.00 65.13 C ATOM 717 CD1 ILE A 825 11.731 13.644 -16.498 1.00 40.23 C ATOM 0 H ILE A 825 8.931 9.610 -18.680 1.00 4.42 H new ATOM 0 HA ILE A 825 8.353 12.354 -17.905 1.00 1.30 H new ATOM 0 HB ILE A 825 11.146 11.386 -18.238 1.00 10.24 H new ATOM 0 HG12 ILE A 825 9.621 13.207 -16.396 1.00 45.53 H new ATOM 0 HG13 ILE A 825 10.649 11.842 -16.009 1.00 45.53 H new ATOM 0 HG21 ILE A 825 11.855 13.649 -18.883 1.00 65.13 H new ATOM 0 HG22 ILE A 825 10.846 12.882 -20.132 1.00 65.13 H new ATOM 0 HG23 ILE A 825 10.151 14.127 -19.066 1.00 65.13 H new ATOM 0 HD11 ILE A 825 11.780 13.975 -15.461 1.00 40.23 H new ATOM 0 HD12 ILE A 825 12.653 13.123 -16.756 1.00 40.23 H new ATOM 0 HD13 ILE A 825 11.608 14.509 -17.149 1.00 40.23 H new ATOM 729 N TYR A 826 7.706 12.605 -20.219 1.00 31.00 N ATOM 730 CA TYR A 826 7.253 12.767 -21.590 1.00 63.42 C ATOM 731 C TYR A 826 6.758 11.438 -22.165 1.00 21.35 C ATOM 732 O TYR A 826 6.697 11.267 -23.381 1.00 45.32 O ATOM 733 CB TYR A 826 8.476 13.229 -22.386 1.00 74.50 C ATOM 734 CG TYR A 826 9.189 14.440 -21.783 1.00 50.32 C ATOM 735 CD1 TYR A 826 8.511 15.286 -20.928 1.00 71.43 C ATOM 736 CD2 TYR A 826 10.510 14.688 -22.094 1.00 44.42 C ATOM 737 CE1 TYR A 826 9.182 16.426 -20.361 1.00 2.11 C ATOM 738 CE2 TYR A 826 11.182 15.829 -21.527 1.00 12.01 C ATOM 739 CZ TYR A 826 10.485 16.642 -20.688 1.00 74.52 C ATOM 740 OH TYR A 826 11.119 17.719 -20.152 1.00 73.23 O ATOM 0 H TYR A 826 7.227 13.195 -19.539 1.00 31.00 H new ATOM 0 HA TYR A 826 6.428 13.478 -21.640 1.00 63.42 H new ATOM 0 HB2 TYR A 826 9.183 12.403 -22.458 1.00 74.50 H new ATOM 0 HB3 TYR A 826 8.165 13.472 -23.402 1.00 74.50 H new ATOM 0 HD1 TYR A 826 7.477 15.092 -20.685 1.00 71.43 H new ATOM 0 HD2 TYR A 826 11.040 14.026 -22.763 1.00 44.42 H new ATOM 0 HE1 TYR A 826 8.663 17.095 -19.691 1.00 2.11 H new ATOM 0 HE2 TYR A 826 12.216 16.034 -21.763 1.00 12.01 H new ATOM 0 HH TYR A 826 12.087 17.564 -20.156 1.00 73.23 H new ATOM 750 N GLY A 827 6.417 10.530 -21.262 1.00 13.13 N ATOM 751 CA GLY A 827 5.929 9.222 -21.663 1.00 73.32 C ATOM 752 C GLY A 827 7.075 8.212 -21.751 1.00 0.14 C ATOM 753 O GLY A 827 6.912 7.129 -22.310 1.00 34.21 O ATOM 0 H GLY A 827 6.469 10.675 -20.254 1.00 13.13 H new ATOM 0 HA2 GLY A 827 5.186 8.872 -20.947 1.00 73.32 H new ATOM 0 HA3 GLY A 827 5.430 9.297 -22.629 1.00 73.32 H new ATOM 757 N ARG A 828 8.210 8.603 -21.189 1.00 54.12 N ATOM 758 CA ARG A 828 9.383 7.746 -21.197 1.00 33.24 C ATOM 759 C ARG A 828 9.599 7.130 -19.813 1.00 33.31 C ATOM 760 O ARG A 828 9.931 7.834 -18.861 1.00 25.01 O ATOM 761 CB ARG A 828 10.634 8.528 -21.600 1.00 1.22 C ATOM 762 CG ARG A 828 10.532 9.019 -23.045 1.00 60.35 C ATOM 763 CD ARG A 828 11.902 9.441 -23.579 1.00 63.13 C ATOM 764 NE ARG A 828 11.806 9.768 -25.019 1.00 55.24 N ATOM 765 CZ ARG A 828 12.657 10.592 -25.667 1.00 73.22 C ATOM 766 NH1 ARG A 828 13.677 11.180 -25.007 1.00 60.31 N ATOM 767 NH2 ARG A 828 12.476 10.814 -26.956 1.00 21.12 N ATOM 0 H ARG A 828 8.342 9.502 -20.725 1.00 54.12 H new ATOM 0 HA ARG A 828 9.211 6.956 -21.928 1.00 33.24 H new ATOM 0 HB2 ARG A 828 10.766 9.379 -20.932 1.00 1.22 H new ATOM 0 HB3 ARG A 828 11.514 7.895 -21.489 1.00 1.22 H new ATOM 0 HG2 ARG A 828 10.121 8.229 -23.673 1.00 60.35 H new ATOM 0 HG3 ARG A 828 9.842 9.861 -23.099 1.00 60.35 H new ATOM 0 HD2 ARG A 828 12.267 10.306 -23.025 1.00 63.13 H new ATOM 0 HD3 ARG A 828 12.623 8.638 -23.427 1.00 63.13 H new ATOM 0 HE ARG A 828 11.049 9.344 -25.556 1.00 55.24 H new ATOM 0 HH11 ARG A 828 13.809 11.003 -24.011 1.00 60.31 H new ATOM 0 HH12 ARG A 828 14.315 11.801 -25.504 1.00 60.31 H new ATOM 0 HH21 ARG A 828 11.702 10.366 -27.447 1.00 21.12 H new ATOM 0 HH22 ARG A 828 13.110 11.434 -27.461 1.00 21.12 H new ATOM 780 N ILE A 829 9.400 5.821 -19.745 1.00 44.43 N ATOM 781 CA ILE A 829 9.569 5.103 -18.494 1.00 23.52 C ATOM 782 C ILE A 829 11.028 4.662 -18.357 1.00 1.25 C ATOM 783 O ILE A 829 11.730 4.506 -19.355 1.00 13.23 O ATOM 784 CB ILE A 829 8.567 3.950 -18.399 1.00 4.14 C ATOM 785 CG1 ILE A 829 7.132 4.458 -18.545 1.00 53.22 C ATOM 786 CG2 ILE A 829 8.766 3.157 -17.105 1.00 75.13 C ATOM 787 CD1 ILE A 829 6.552 4.862 -17.188 1.00 51.42 C ATOM 0 H ILE A 829 9.123 5.240 -20.536 1.00 44.43 H new ATOM 0 HA ILE A 829 9.352 5.755 -17.648 1.00 23.52 H new ATOM 0 HB ILE A 829 8.752 3.266 -19.228 1.00 4.14 H new ATOM 0 HG12 ILE A 829 7.112 5.312 -19.222 1.00 53.22 H new ATOM 0 HG13 ILE A 829 6.512 3.682 -18.993 1.00 53.22 H new ATOM 0 HG21 ILE A 829 8.042 2.344 -17.062 1.00 75.13 H new ATOM 0 HG22 ILE A 829 9.775 2.746 -17.082 1.00 75.13 H new ATOM 0 HG23 ILE A 829 8.623 3.816 -16.249 1.00 75.13 H new ATOM 0 HD11 ILE A 829 5.531 5.219 -17.321 1.00 51.42 H new ATOM 0 HD12 ILE A 829 6.551 4.000 -16.521 1.00 51.42 H new ATOM 0 HD13 ILE A 829 7.161 5.655 -16.754 1.00 51.42 H new ATOM 799 N GLY A 830 11.441 4.474 -17.112 1.00 4.22 N ATOM 800 CA GLY A 830 12.804 4.055 -16.831 1.00 30.10 C ATOM 801 C GLY A 830 13.111 4.156 -15.336 1.00 25.55 C ATOM 802 O GLY A 830 12.210 4.366 -14.526 1.00 0.34 O ATOM 0 H GLY A 830 10.856 4.604 -16.287 1.00 4.22 H new ATOM 0 HA2 GLY A 830 12.949 3.028 -17.167 1.00 30.10 H new ATOM 0 HA3 GLY A 830 13.502 4.676 -17.392 1.00 30.10 H new ATOM 806 N TRP A 831 14.387 4.000 -15.015 1.00 5.24 N ATOM 807 CA TRP A 831 14.825 4.071 -13.631 1.00 21.12 C ATOM 808 C TRP A 831 15.852 5.199 -13.517 1.00 4.11 C ATOM 809 O TRP A 831 16.559 5.499 -14.478 1.00 4.03 O ATOM 810 CB TRP A 831 15.365 2.720 -13.157 1.00 4.31 C ATOM 811 CG TRP A 831 14.314 1.610 -13.113 1.00 73.01 C ATOM 812 CD1 TRP A 831 13.837 0.885 -14.134 1.00 33.41 C ATOM 813 CD2 TRP A 831 13.624 1.125 -11.942 1.00 33.00 C ATOM 814 NE1 TRP A 831 12.894 -0.029 -13.708 1.00 53.33 N ATOM 815 CE2 TRP A 831 12.760 0.122 -12.333 1.00 2.11 C ATOM 816 CE3 TRP A 831 13.726 1.521 -10.597 1.00 21.54 C ATOM 817 CZ2 TRP A 831 11.933 -0.569 -11.439 1.00 54.55 C ATOM 818 CZ3 TRP A 831 12.892 0.821 -9.716 1.00 64.42 C ATOM 819 CH2 TRP A 831 12.018 -0.191 -10.094 1.00 35.31 C ATOM 0 H TRP A 831 15.132 3.825 -15.690 1.00 5.24 H new ATOM 0 HA TRP A 831 13.986 4.296 -12.972 1.00 21.12 H new ATOM 0 HB2 TRP A 831 16.176 2.412 -13.818 1.00 4.31 H new ATOM 0 HB3 TRP A 831 15.793 2.840 -12.162 1.00 4.31 H new ATOM 0 HD1 TRP A 831 14.151 1.001 -15.161 1.00 33.41 H new ATOM 0 HE1 TRP A 831 12.389 -0.693 -14.295 1.00 53.33 H new ATOM 0 HE3 TRP A 831 14.395 2.303 -10.269 1.00 21.54 H new ATOM 0 HZ2 TRP A 831 11.266 -1.351 -11.769 1.00 54.55 H new ATOM 0 HZ3 TRP A 831 12.931 1.086 -8.670 1.00 64.42 H new ATOM 0 HH2 TRP A 831 11.407 -0.684 -9.353 1.00 35.31 H new ATOM 830 N PHE A 832 15.902 5.794 -12.334 1.00 21.41 N ATOM 831 CA PHE A 832 16.831 6.882 -12.082 1.00 1.11 C ATOM 832 C PHE A 832 17.180 6.972 -10.595 1.00 12.22 C ATOM 833 O PHE A 832 16.384 6.582 -9.742 1.00 53.22 O ATOM 834 CB PHE A 832 16.132 8.174 -12.509 1.00 2.41 C ATOM 835 CG PHE A 832 14.887 8.510 -11.685 1.00 61.23 C ATOM 836 CD1 PHE A 832 13.718 7.856 -11.923 1.00 42.30 C ATOM 837 CD2 PHE A 832 14.949 9.461 -10.716 1.00 1.43 C ATOM 838 CE1 PHE A 832 12.563 8.168 -11.159 1.00 33.42 C ATOM 839 CE2 PHE A 832 13.793 9.773 -9.951 1.00 64.34 C ATOM 840 CZ PHE A 832 12.625 9.119 -10.189 1.00 54.22 C ATOM 0 H PHE A 832 15.314 5.543 -11.539 1.00 21.41 H new ATOM 0 HA PHE A 832 17.756 6.718 -12.635 1.00 1.11 H new ATOM 0 HB2 PHE A 832 16.839 9.000 -12.433 1.00 2.41 H new ATOM 0 HB3 PHE A 832 15.849 8.092 -13.559 1.00 2.41 H new ATOM 0 HD1 PHE A 832 13.669 7.100 -12.693 1.00 42.30 H new ATOM 0 HD2 PHE A 832 15.877 9.980 -10.527 1.00 1.43 H new ATOM 0 HE1 PHE A 832 11.635 7.650 -11.348 1.00 33.42 H new ATOM 0 HE2 PHE A 832 13.842 10.529 -9.181 1.00 64.34 H new ATOM 0 HZ PHE A 832 11.746 9.355 -9.607 1.00 54.22 H new ATOM 850 N PRO A 833 18.402 7.502 -10.322 1.00 42.42 N ATOM 851 CA PRO A 833 18.866 7.649 -8.953 1.00 61.41 C ATOM 852 C PRO A 833 18.166 8.818 -8.259 1.00 15.33 C ATOM 853 O PRO A 833 17.821 9.809 -8.900 1.00 51.54 O ATOM 854 CB PRO A 833 20.370 7.839 -9.065 1.00 71.14 C ATOM 855 CG PRO A 833 20.631 8.256 -10.504 1.00 11.44 C ATOM 856 CD PRO A 833 19.371 7.975 -11.307 1.00 25.15 C ATOM 0 HA PRO A 833 18.633 6.782 -8.335 1.00 61.41 H new ATOM 0 HB2 PRO A 833 20.721 8.600 -8.368 1.00 71.14 H new ATOM 0 HB3 PRO A 833 20.899 6.917 -8.823 1.00 71.14 H new ATOM 0 HG2 PRO A 833 20.887 9.314 -10.554 1.00 11.44 H new ATOM 0 HG3 PRO A 833 21.476 7.703 -10.914 1.00 11.44 H new ATOM 0 HD2 PRO A 833 19.015 8.873 -11.813 1.00 25.15 H new ATOM 0 HD3 PRO A 833 19.551 7.225 -12.077 1.00 25.15 H new ATOM 864 N SER A 834 17.976 8.664 -6.957 1.00 10.14 N ATOM 865 CA SER A 834 17.323 9.695 -6.168 1.00 51.31 C ATOM 866 C SER A 834 18.363 10.681 -5.632 1.00 52.42 C ATOM 867 O SER A 834 18.028 11.594 -4.879 1.00 14.12 O ATOM 868 CB SER A 834 16.527 9.084 -5.014 1.00 15.14 C ATOM 869 OG SER A 834 16.213 10.048 -4.012 1.00 51.31 O ATOM 0 H SER A 834 18.263 7.840 -6.428 1.00 10.14 H new ATOM 0 HA SER A 834 16.625 10.228 -6.813 1.00 51.31 H new ATOM 0 HB2 SER A 834 15.605 8.649 -5.400 1.00 15.14 H new ATOM 0 HB3 SER A 834 17.101 8.271 -4.568 1.00 15.14 H new ATOM 0 HG SER A 834 15.254 10.248 -4.039 1.00 51.31 H new ATOM 875 N ASN A 835 19.604 10.464 -6.042 1.00 12.01 N ATOM 876 CA ASN A 835 20.695 11.322 -5.612 1.00 51.24 C ATOM 877 C ASN A 835 20.918 12.418 -6.657 1.00 70.40 C ATOM 878 O ASN A 835 21.616 13.396 -6.396 1.00 14.40 O ATOM 879 CB ASN A 835 21.996 10.530 -5.473 1.00 4.23 C ATOM 880 CG ASN A 835 22.134 9.945 -4.066 1.00 0.44 C ATOM 881 OD1 ASN A 835 22.957 10.365 -3.269 1.00 11.24 O ATOM 882 ND2 ASN A 835 21.285 8.955 -3.806 1.00 13.53 N ATOM 0 H ASN A 835 19.878 9.706 -6.667 1.00 12.01 H new ATOM 0 HA ASN A 835 20.428 11.749 -4.645 1.00 51.24 H new ATOM 0 HB2 ASN A 835 22.017 9.726 -6.209 1.00 4.23 H new ATOM 0 HB3 ASN A 835 22.846 11.179 -5.686 1.00 4.23 H new ATOM 0 HD21 ASN A 835 21.298 8.499 -2.894 1.00 13.53 H new ATOM 0 HD22 ASN A 835 20.621 8.652 -4.519 1.00 13.53 H new ATOM 889 N TYR A 836 20.312 12.216 -7.818 1.00 22.11 N ATOM 890 CA TYR A 836 20.436 13.174 -8.903 1.00 51.31 C ATOM 891 C TYR A 836 19.110 13.898 -9.149 1.00 65.14 C ATOM 892 O TYR A 836 19.028 14.776 -10.007 1.00 25.12 O ATOM 893 CB TYR A 836 20.797 12.359 -10.146 1.00 50.25 C ATOM 894 CG TYR A 836 22.286 12.028 -10.263 1.00 1.04 C ATOM 895 CD1 TYR A 836 22.931 11.377 -9.230 1.00 51.44 C ATOM 896 CD2 TYR A 836 22.985 12.380 -11.400 1.00 33.02 C ATOM 897 CE1 TYR A 836 24.333 11.066 -9.340 1.00 35.23 C ATOM 898 CE2 TYR A 836 24.386 12.068 -11.509 1.00 43.31 C ATOM 899 CZ TYR A 836 24.991 11.427 -10.474 1.00 21.43 C ATOM 900 OH TYR A 836 26.315 11.132 -10.577 1.00 12.30 O ATOM 0 H TYR A 836 19.734 11.403 -8.031 1.00 22.11 H new ATOM 0 HA TYR A 836 21.186 13.928 -8.666 1.00 51.31 H new ATOM 0 HB2 TYR A 836 20.228 11.429 -10.136 1.00 50.25 H new ATOM 0 HB3 TYR A 836 20.488 12.912 -11.033 1.00 50.25 H new ATOM 0 HD1 TYR A 836 22.385 11.101 -8.340 1.00 51.44 H new ATOM 0 HD2 TYR A 836 22.481 12.889 -12.208 1.00 33.02 H new ATOM 0 HE1 TYR A 836 24.850 10.557 -8.540 1.00 35.23 H new ATOM 0 HE2 TYR A 836 24.944 12.337 -12.394 1.00 43.31 H new ATOM 0 HH TYR A 836 26.654 11.448 -11.441 1.00 12.30 H new ATOM 910 N VAL A 837 18.106 13.502 -8.382 1.00 14.32 N ATOM 911 CA VAL A 837 16.788 14.102 -8.506 1.00 11.11 C ATOM 912 C VAL A 837 16.332 14.609 -7.136 1.00 41.23 C ATOM 913 O VAL A 837 16.959 14.312 -6.120 1.00 52.24 O ATOM 914 CB VAL A 837 15.813 13.100 -9.127 1.00 60.21 C ATOM 915 CG1 VAL A 837 16.360 12.547 -10.445 1.00 3.23 C ATOM 916 CG2 VAL A 837 15.493 11.968 -8.149 1.00 12.04 C ATOM 0 H VAL A 837 18.178 12.773 -7.672 1.00 14.32 H new ATOM 0 HA VAL A 837 16.821 14.961 -9.176 1.00 11.11 H new ATOM 0 HB VAL A 837 14.884 13.628 -9.345 1.00 60.21 H new ATOM 0 HG11 VAL A 837 15.648 11.837 -10.865 1.00 3.23 H new ATOM 0 HG12 VAL A 837 16.513 13.366 -11.147 1.00 3.23 H new ATOM 0 HG13 VAL A 837 17.309 12.043 -10.262 1.00 3.23 H new ATOM 0 HG21 VAL A 837 14.798 11.270 -8.615 1.00 12.04 H new ATOM 0 HG22 VAL A 837 16.412 11.444 -7.886 1.00 12.04 H new ATOM 0 HG23 VAL A 837 15.041 12.383 -7.248 1.00 12.04 H new ATOM 926 N GLU A 838 15.245 15.366 -7.153 1.00 35.42 N ATOM 927 CA GLU A 838 14.698 15.917 -5.925 1.00 35.24 C ATOM 928 C GLU A 838 13.173 15.787 -5.917 1.00 40.04 C ATOM 929 O GLU A 838 12.503 16.251 -6.838 1.00 54.42 O ATOM 930 CB GLU A 838 15.125 17.374 -5.740 1.00 14.22 C ATOM 931 CG GLU A 838 16.649 17.498 -5.701 1.00 41.35 C ATOM 932 CD GLU A 838 17.205 17.019 -4.359 1.00 15.23 C ATOM 933 OE1 GLU A 838 17.153 15.817 -4.060 1.00 60.21 O ATOM 934 OE2 GLU A 838 17.705 17.946 -3.614 1.00 34.14 O ATOM 0 H GLU A 838 14.728 15.611 -7.998 1.00 35.42 H new ATOM 0 HA GLU A 838 15.096 15.347 -5.086 1.00 35.24 H new ATOM 0 HB2 GLU A 838 14.728 17.979 -6.555 1.00 14.22 H new ATOM 0 HB3 GLU A 838 14.701 17.766 -4.816 1.00 14.22 H new ATOM 0 HG2 GLU A 838 17.086 16.912 -6.509 1.00 41.35 H new ATOM 0 HG3 GLU A 838 16.937 18.536 -5.868 1.00 41.35 H new ATOM 942 N GLU A 839 12.670 15.153 -4.868 1.00 51.42 N ATOM 943 CA GLU A 839 11.237 14.957 -4.729 1.00 70.20 C ATOM 944 C GLU A 839 10.709 15.738 -3.524 1.00 74.31 C ATOM 945 O GLU A 839 11.483 16.338 -2.780 1.00 63.55 O ATOM 946 CB GLU A 839 10.897 13.470 -4.611 1.00 34.12 C ATOM 947 CG GLU A 839 11.778 12.787 -3.563 1.00 43.03 C ATOM 948 CD GLU A 839 11.579 13.418 -2.184 1.00 22.13 C ATOM 949 OE1 GLU A 839 12.440 14.181 -1.721 1.00 21.01 O ATOM 950 OE2 GLU A 839 10.483 13.091 -1.588 1.00 13.11 O ATOM 0 H GLU A 839 13.229 14.768 -4.106 1.00 51.42 H new ATOM 0 HA GLU A 839 10.748 15.338 -5.626 1.00 70.20 H new ATOM 0 HB2 GLU A 839 9.848 13.354 -4.340 1.00 34.12 H new ATOM 0 HB3 GLU A 839 11.033 12.985 -5.577 1.00 34.12 H new ATOM 0 HG2 GLU A 839 11.539 11.724 -3.519 1.00 43.03 H new ATOM 0 HG3 GLU A 839 12.825 12.866 -3.855 1.00 43.03 H new ATOM 958 N ASP A 840 9.393 15.705 -3.369 1.00 23.24 N ATOM 959 CA ASP A 840 8.752 16.402 -2.267 1.00 3.14 C ATOM 960 C ASP A 840 9.427 17.761 -2.067 1.00 23.53 C ATOM 961 O ASP A 840 9.832 18.099 -0.956 1.00 13.34 O ATOM 962 CB ASP A 840 8.885 15.612 -0.963 1.00 70.13 C ATOM 963 CG ASP A 840 8.285 16.292 0.269 1.00 34.40 C ATOM 964 OD1 ASP A 840 9.004 16.663 1.208 1.00 64.11 O ATOM 965 OD2 ASP A 840 7.003 16.437 0.241 1.00 1.41 O ATOM 0 H ASP A 840 8.754 15.207 -3.988 1.00 23.24 H new ATOM 0 HA ASP A 840 7.696 16.520 -2.511 1.00 3.14 H new ATOM 0 HB2 ASP A 840 8.406 14.642 -1.093 1.00 70.13 H new ATOM 0 HB3 ASP A 840 9.942 15.423 -0.776 1.00 70.13 H new ATOM 971 N TYR A 841 9.528 18.502 -3.160 1.00 62.12 N ATOM 972 CA TYR A 841 10.147 19.816 -3.119 1.00 62.20 C ATOM 973 C TYR A 841 9.091 20.922 -3.174 1.00 61.54 C ATOM 974 O TYR A 841 9.234 21.955 -2.523 1.00 25.01 O ATOM 975 CB TYR A 841 11.029 19.906 -4.366 1.00 74.13 C ATOM 976 CG TYR A 841 10.313 19.523 -5.663 1.00 53.01 C ATOM 977 CD1 TYR A 841 9.495 20.437 -6.296 1.00 14.14 C ATOM 978 CD2 TYR A 841 10.485 18.264 -6.200 1.00 71.44 C ATOM 979 CE1 TYR A 841 8.821 20.077 -7.516 1.00 73.31 C ATOM 980 CE2 TYR A 841 9.811 17.903 -7.421 1.00 1.21 C ATOM 981 CZ TYR A 841 9.012 18.828 -8.019 1.00 23.44 C ATOM 982 OH TYR A 841 8.376 18.487 -9.171 1.00 51.23 O ATOM 0 H TYR A 841 9.192 18.218 -4.080 1.00 62.12 H new ATOM 0 HA TYR A 841 10.713 19.945 -2.197 1.00 62.20 H new ATOM 0 HB2 TYR A 841 11.407 20.924 -4.459 1.00 74.13 H new ATOM 0 HB3 TYR A 841 11.894 19.256 -4.235 1.00 74.13 H new ATOM 0 HD1 TYR A 841 9.361 21.423 -5.876 1.00 14.14 H new ATOM 0 HD2 TYR A 841 11.125 17.549 -5.705 1.00 71.44 H new ATOM 0 HE1 TYR A 841 8.178 20.783 -8.021 1.00 73.31 H new ATOM 0 HE2 TYR A 841 9.937 16.921 -7.852 1.00 1.21 H new ATOM 0 HH TYR A 841 7.839 19.244 -9.485 1.00 51.23 H new