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 120:sc= 0.122 USER MOD Set 1.2: A 841 TYR OH : rot 0:sc= -0.797 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 -97:sc= 1.04 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+ 147:sc= 0.24 (180deg=0.00438) USER MOD Single : A 813 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 TYR OH : rot 145:sc= 0.91 USER MOD Single : A 834 SER OG : rot 142:sc= 0.0539! USER MOD Single : A 835 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLY A 785 4.141 11.451 -6.942 1.00 33.10 N ATOM 64 CA GLY A 785 3.751 12.596 -7.747 1.00 1.43 C ATOM 65 C GLY A 785 4.752 12.837 -8.879 1.00 33.11 C ATOM 66 O GLY A 785 4.529 12.408 -10.010 1.00 43.32 O ATOM 0 HA2 GLY A 785 2.758 12.430 -8.164 1.00 1.43 H new ATOM 0 HA3 GLY A 785 3.688 13.483 -7.117 1.00 1.43 H new ATOM 70 N THR A 786 5.832 13.522 -8.535 1.00 24.21 N ATOM 71 CA THR A 786 6.868 13.824 -9.508 1.00 51.54 C ATOM 72 C THR A 786 8.209 14.049 -8.808 1.00 24.43 C ATOM 73 O THR A 786 8.266 14.139 -7.582 1.00 63.03 O ATOM 74 CB THR A 786 6.405 15.027 -10.333 1.00 14.11 C ATOM 75 OG1 THR A 786 5.789 15.887 -9.377 1.00 64.25 O ATOM 76 CG2 THR A 786 5.272 14.673 -11.299 1.00 45.34 C ATOM 0 H THR A 786 6.012 13.877 -7.596 1.00 24.21 H new ATOM 0 HA THR A 786 7.028 12.987 -10.187 1.00 51.54 H new ATOM 0 HB THR A 786 7.249 15.429 -10.894 1.00 14.11 H new ATOM 0 HG1 THR A 786 6.259 16.747 -9.360 1.00 64.25 H new ATOM 0 HG21 THR A 786 4.981 15.561 -11.860 1.00 45.34 H new ATOM 0 HG22 THR A 786 5.611 13.902 -11.991 1.00 45.34 H new ATOM 0 HG23 THR A 786 4.416 14.303 -10.735 1.00 45.34 H new ATOM 84 N ALA A 787 9.256 14.132 -9.616 1.00 20.22 N ATOM 85 CA ALA A 787 10.593 14.344 -9.089 1.00 24.43 C ATOM 86 C ALA A 787 11.391 15.209 -10.066 1.00 50.13 C ATOM 87 O ALA A 787 11.823 14.731 -11.114 1.00 54.33 O ATOM 88 CB ALA A 787 11.260 12.991 -8.830 1.00 3.14 C ATOM 0 H ALA A 787 9.205 14.056 -10.632 1.00 20.22 H new ATOM 0 HA ALA A 787 10.551 14.875 -8.138 1.00 24.43 H new ATOM 0 HB1 ALA A 787 12.263 13.150 -8.435 1.00 3.14 H new ATOM 0 HB2 ALA A 787 10.670 12.427 -8.107 1.00 3.14 H new ATOM 0 HB3 ALA A 787 11.322 12.431 -9.763 1.00 3.14 H new ATOM 94 N LYS A 788 11.563 16.467 -9.689 1.00 15.45 N ATOM 95 CA LYS A 788 12.301 17.404 -10.519 1.00 14.02 C ATOM 96 C LYS A 788 13.777 17.003 -10.544 1.00 72.32 C ATOM 97 O LYS A 788 14.416 16.906 -9.498 1.00 13.44 O ATOM 98 CB LYS A 788 12.062 18.840 -10.048 1.00 53.35 C ATOM 99 CG LYS A 788 12.092 19.815 -11.227 1.00 43.42 C ATOM 100 CD LYS A 788 11.300 21.085 -10.909 1.00 40.01 C ATOM 101 CE LYS A 788 11.935 22.308 -11.574 1.00 13.33 C ATOM 102 NZ LYS A 788 11.104 23.512 -11.345 1.00 23.24 N ATOM 0 H LYS A 788 11.204 16.860 -8.819 1.00 15.45 H new ATOM 0 HA LYS A 788 11.942 17.366 -11.548 1.00 14.02 H new ATOM 0 HB2 LYS A 788 11.099 18.905 -9.542 1.00 53.35 H new ATOM 0 HB3 LYS A 788 12.824 19.120 -9.320 1.00 53.35 H new ATOM 0 HG2 LYS A 788 13.124 20.075 -11.462 1.00 43.42 H new ATOM 0 HG3 LYS A 788 11.675 19.334 -12.112 1.00 43.42 H new ATOM 0 HD2 LYS A 788 10.272 20.972 -11.253 1.00 40.01 H new ATOM 0 HD3 LYS A 788 11.261 21.233 -9.830 1.00 40.01 H new ATOM 0 HE2 LYS A 788 12.936 22.468 -11.174 1.00 13.33 H new ATOM 0 HE3 LYS A 788 12.044 22.132 -12.644 1.00 13.33 H new ATOM 0 HZ1 LYS A 788 11.549 24.333 -11.803 1.00 23.24 H new ATOM 0 HZ2 LYS A 788 10.157 23.362 -11.748 1.00 23.24 H new ATOM 0 HZ3 LYS A 788 11.022 23.688 -10.323 1.00 23.24 H new ATOM 115 N ALA A 789 14.276 16.779 -11.751 1.00 54.52 N ATOM 116 CA ALA A 789 15.665 16.391 -11.927 1.00 34.33 C ATOM 117 C ALA A 789 16.566 17.593 -11.640 1.00 43.24 C ATOM 118 O ALA A 789 16.263 18.713 -12.049 1.00 74.35 O ATOM 119 CB ALA A 789 15.865 15.835 -13.338 1.00 71.20 C ATOM 0 H ALA A 789 13.743 16.859 -12.617 1.00 54.52 H new ATOM 0 HA ALA A 789 15.935 15.602 -11.225 1.00 34.33 H new ATOM 0 HB1 ALA A 789 16.907 15.544 -13.470 1.00 71.20 H new ATOM 0 HB2 ALA A 789 15.224 14.965 -13.480 1.00 71.20 H new ATOM 0 HB3 ALA A 789 15.606 16.600 -14.070 1.00 71.20 H new ATOM 125 N ARG A 790 17.657 17.321 -10.940 1.00 23.33 N ATOM 126 CA ARG A 790 18.605 18.366 -10.594 1.00 2.31 C ATOM 127 C ARG A 790 19.883 18.219 -11.422 1.00 25.24 C ATOM 128 O ARG A 790 20.794 19.039 -11.315 1.00 50.05 O ATOM 129 CB ARG A 790 18.960 18.318 -9.107 1.00 25.55 C ATOM 130 CG ARG A 790 17.736 18.619 -8.240 1.00 71.21 C ATOM 131 CD ARG A 790 17.341 20.093 -8.343 1.00 1.54 C ATOM 132 NE ARG A 790 16.425 20.294 -9.487 1.00 74.32 N ATOM 133 CZ ARG A 790 16.213 21.484 -10.088 1.00 61.23 C ATOM 134 NH1 ARG A 790 16.852 22.592 -9.658 1.00 4.14 N ATOM 135 NH2 ARG A 790 15.372 21.548 -11.103 1.00 72.44 N ATOM 0 H ARG A 790 17.906 16.391 -10.603 1.00 23.33 H new ATOM 0 HA ARG A 790 18.135 19.325 -10.812 1.00 2.31 H new ATOM 0 HB2 ARG A 790 19.355 17.334 -8.856 1.00 25.55 H new ATOM 0 HB3 ARG A 790 19.747 19.041 -8.894 1.00 25.55 H new ATOM 0 HG2 ARG A 790 16.901 17.992 -8.553 1.00 71.21 H new ATOM 0 HG3 ARG A 790 17.951 18.368 -7.201 1.00 71.21 H new ATOM 0 HD2 ARG A 790 16.858 20.414 -7.420 1.00 1.54 H new ATOM 0 HD3 ARG A 790 18.232 20.709 -8.468 1.00 1.54 H new ATOM 0 HE ARG A 790 15.922 19.482 -9.844 1.00 74.32 H new ATOM 0 HH11 ARG A 790 17.501 22.534 -8.873 1.00 4.14 H new ATOM 0 HH12 ARG A 790 16.686 23.487 -10.118 1.00 4.14 H new ATOM 0 HH21 ARG A 790 14.893 20.706 -11.422 1.00 72.44 H new ATOM 0 HH22 ARG A 790 15.201 22.440 -11.568 1.00 72.44 H new ATOM 148 N TYR A 791 19.911 17.168 -12.228 1.00 34.45 N ATOM 149 CA TYR A 791 21.062 16.902 -13.073 1.00 2.21 C ATOM 150 C TYR A 791 20.672 16.042 -14.277 1.00 1.22 C ATOM 151 O TYR A 791 20.052 14.992 -14.119 1.00 20.32 O ATOM 152 CB TYR A 791 22.052 16.124 -12.205 1.00 24.35 C ATOM 153 CG TYR A 791 22.403 16.817 -10.886 1.00 71.15 C ATOM 154 CD1 TYR A 791 23.311 17.856 -10.874 1.00 1.25 C ATOM 155 CD2 TYR A 791 21.811 16.403 -9.710 1.00 41.14 C ATOM 156 CE1 TYR A 791 23.641 18.509 -9.633 1.00 20.30 C ATOM 157 CE2 TYR A 791 22.141 17.056 -8.470 1.00 30.31 C ATOM 158 CZ TYR A 791 23.040 18.076 -8.492 1.00 54.24 C ATOM 159 OH TYR A 791 23.351 18.693 -7.321 1.00 22.52 O ATOM 0 H TYR A 791 19.154 16.490 -12.314 1.00 34.45 H new ATOM 0 HA TYR A 791 21.482 17.833 -13.453 1.00 2.21 H new ATOM 0 HB2 TYR A 791 21.634 15.141 -11.987 1.00 24.35 H new ATOM 0 HB3 TYR A 791 22.968 15.962 -12.773 1.00 24.35 H new ATOM 0 HD1 TYR A 791 23.774 18.179 -11.795 1.00 1.25 H new ATOM 0 HD2 TYR A 791 21.101 15.590 -9.720 1.00 41.14 H new ATOM 0 HE1 TYR A 791 24.349 19.324 -9.609 1.00 20.30 H new ATOM 0 HE2 TYR A 791 21.685 16.743 -7.543 1.00 30.31 H new ATOM 0 HH TYR A 791 22.846 18.280 -6.590 1.00 22.52 H new ATOM 169 N ASP A 792 21.052 16.520 -15.453 1.00 14.02 N ATOM 170 CA ASP A 792 20.749 15.808 -16.683 1.00 3.12 C ATOM 171 C ASP A 792 21.479 14.463 -16.681 1.00 41.32 C ATOM 172 O ASP A 792 22.701 14.417 -16.552 1.00 64.51 O ATOM 173 CB ASP A 792 21.218 16.599 -17.906 1.00 74.41 C ATOM 174 CG ASP A 792 22.736 16.693 -18.073 1.00 15.34 C ATOM 175 OD1 ASP A 792 23.394 17.544 -17.456 1.00 13.21 O ATOM 176 OD2 ASP A 792 23.249 15.835 -18.887 1.00 23.33 O ATOM 0 H ASP A 792 21.567 17.391 -15.580 1.00 14.02 H new ATOM 0 HA ASP A 792 19.669 15.669 -16.736 1.00 3.12 H new ATOM 0 HB2 ASP A 792 20.797 16.139 -18.800 1.00 74.41 H new ATOM 0 HB3 ASP A 792 20.811 17.608 -17.845 1.00 74.41 H new ATOM 182 N PHE A 793 20.699 13.403 -16.826 1.00 74.52 N ATOM 183 CA PHE A 793 21.255 12.060 -16.843 1.00 44.50 C ATOM 184 C PHE A 793 21.137 11.435 -18.234 1.00 52.14 C ATOM 185 O PHE A 793 20.033 11.165 -18.705 1.00 61.14 O ATOM 186 CB PHE A 793 20.442 11.226 -15.851 1.00 43.50 C ATOM 187 CG PHE A 793 21.235 10.096 -15.191 1.00 43.44 C ATOM 188 CD1 PHE A 793 22.504 10.321 -14.755 1.00 34.42 C ATOM 189 CD2 PHE A 793 20.672 8.868 -15.042 1.00 32.33 C ATOM 190 CE1 PHE A 793 23.240 9.272 -14.143 1.00 34.25 C ATOM 191 CE2 PHE A 793 21.408 7.819 -14.430 1.00 32.14 C ATOM 192 CZ PHE A 793 22.676 8.043 -13.993 1.00 1.12 C ATOM 0 H PHE A 793 19.686 13.446 -16.933 1.00 74.52 H new ATOM 0 HA PHE A 793 22.312 12.092 -16.577 1.00 44.50 H new ATOM 0 HB2 PHE A 793 20.051 11.883 -15.074 1.00 43.50 H new ATOM 0 HB3 PHE A 793 19.583 10.799 -16.369 1.00 43.50 H new ATOM 0 HD1 PHE A 793 22.951 11.297 -14.874 1.00 34.42 H new ATOM 0 HD2 PHE A 793 19.665 8.690 -15.389 1.00 32.33 H new ATOM 0 HE1 PHE A 793 24.247 9.450 -13.797 1.00 34.25 H new ATOM 0 HE2 PHE A 793 20.961 6.843 -14.312 1.00 32.14 H new ATOM 0 HZ PHE A 793 23.235 7.245 -13.527 1.00 1.12 H new ATOM 202 N CYS A 794 22.289 11.223 -18.853 1.00 40.21 N ATOM 203 CA CYS A 794 22.328 10.635 -20.181 1.00 63.30 C ATOM 204 C CYS A 794 22.210 9.116 -20.037 1.00 55.22 C ATOM 205 O CYS A 794 23.152 8.454 -19.605 1.00 10.51 O ATOM 206 CB CYS A 794 23.593 11.039 -20.942 1.00 31.24 C ATOM 207 SG CYS A 794 23.419 10.617 -22.714 1.00 20.32 S ATOM 0 H CYS A 794 23.203 11.448 -18.459 1.00 40.21 H new ATOM 0 HA CYS A 794 21.492 11.010 -20.772 1.00 63.30 H new ATOM 0 HB2 CYS A 794 23.769 12.109 -20.830 1.00 31.24 H new ATOM 0 HB3 CYS A 794 24.459 10.528 -20.521 1.00 31.24 H new ATOM 0 HG CYS A 794 24.497 10.966 -23.351 1.00 20.32 H new ATOM 213 N ALA A 795 21.043 8.608 -20.408 1.00 4.11 N ATOM 214 CA ALA A 795 20.789 7.180 -20.326 1.00 22.25 C ATOM 215 C ALA A 795 21.647 6.453 -21.363 1.00 23.11 C ATOM 216 O ALA A 795 21.787 6.917 -22.493 1.00 44.22 O ATOM 217 CB ALA A 795 19.294 6.915 -20.517 1.00 5.33 C ATOM 0 H ALA A 795 20.264 9.160 -20.766 1.00 4.11 H new ATOM 0 HA ALA A 795 21.065 6.797 -19.343 1.00 22.25 H new ATOM 0 HB1 ALA A 795 19.104 5.844 -20.455 1.00 5.33 H new ATOM 0 HB2 ALA A 795 18.731 7.429 -19.738 1.00 5.33 H new ATOM 0 HB3 ALA A 795 18.981 7.284 -21.494 1.00 5.33 H new ATOM 223 N ARG A 796 22.199 5.325 -20.941 1.00 64.44 N ATOM 224 CA ARG A 796 23.040 4.529 -21.820 1.00 20.12 C ATOM 225 C ARG A 796 22.369 3.189 -22.126 1.00 74.34 C ATOM 226 O ARG A 796 22.802 2.463 -23.020 1.00 3.20 O ATOM 227 CB ARG A 796 24.410 4.273 -21.188 1.00 34.40 C ATOM 228 CG ARG A 796 24.288 4.079 -19.675 1.00 71.52 C ATOM 229 CD ARG A 796 23.414 2.866 -19.346 1.00 42.25 C ATOM 230 NE ARG A 796 23.828 2.281 -18.052 1.00 34.43 N ATOM 231 CZ ARG A 796 24.812 1.368 -17.914 1.00 24.50 C ATOM 232 NH1 ARG A 796 25.494 0.927 -18.993 1.00 2.22 N ATOM 233 NH2 ARG A 796 25.098 0.912 -16.709 1.00 25.53 N ATOM 0 H ARG A 796 22.081 4.943 -20.003 1.00 64.44 H new ATOM 0 HA ARG A 796 23.178 5.090 -22.744 1.00 20.12 H new ATOM 0 HB2 ARG A 796 24.862 3.388 -21.636 1.00 34.40 H new ATOM 0 HB3 ARG A 796 25.074 5.111 -21.398 1.00 34.40 H new ATOM 0 HG2 ARG A 796 25.279 3.946 -19.241 1.00 71.52 H new ATOM 0 HG3 ARG A 796 23.859 4.974 -19.223 1.00 71.52 H new ATOM 0 HD2 ARG A 796 22.366 3.163 -19.302 1.00 42.25 H new ATOM 0 HD3 ARG A 796 23.500 2.120 -20.136 1.00 42.25 H new ATOM 0 HE ARG A 796 23.339 2.587 -17.211 1.00 34.43 H new ATOM 0 HH11 ARG A 796 25.267 1.284 -19.921 1.00 2.22 H new ATOM 0 HH12 ARG A 796 26.236 0.237 -18.880 1.00 2.22 H new ATOM 0 HH21 ARG A 796 24.578 1.250 -15.899 1.00 25.53 H new ATOM 0 HH22 ARG A 796 25.839 0.222 -16.588 1.00 25.53 H new ATOM 246 N ASP A 797 21.321 2.901 -21.368 1.00 21.31 N ATOM 247 CA ASP A 797 20.586 1.661 -21.547 1.00 74.54 C ATOM 248 C ASP A 797 19.088 1.935 -21.397 1.00 31.54 C ATOM 249 O ASP A 797 18.692 2.898 -20.742 1.00 63.11 O ATOM 250 CB ASP A 797 20.985 0.626 -20.494 1.00 23.32 C ATOM 251 CG ASP A 797 20.753 -0.832 -20.898 1.00 41.41 C ATOM 252 OD1 ASP A 797 20.865 -1.192 -22.079 1.00 61.31 O ATOM 253 OD2 ASP A 797 20.441 -1.623 -19.929 1.00 34.15 O ATOM 0 H ASP A 797 20.964 3.506 -20.628 1.00 21.31 H new ATOM 0 HA ASP A 797 20.817 1.273 -22.539 1.00 74.54 H new ATOM 0 HB2 ASP A 797 22.041 0.758 -20.259 1.00 23.32 H new ATOM 0 HB3 ASP A 797 20.427 0.827 -19.579 1.00 23.32 H new ATOM 259 N ARG A 798 18.296 1.070 -22.013 1.00 74.11 N ATOM 260 CA ARG A 798 16.850 1.207 -21.956 1.00 21.43 C ATOM 261 C ARG A 798 16.359 1.051 -20.515 1.00 61.20 C ATOM 262 O ARG A 798 15.207 1.355 -20.212 1.00 14.51 O ATOM 263 CB ARG A 798 16.163 0.162 -22.837 1.00 53.13 C ATOM 264 CG ARG A 798 16.153 -1.209 -22.158 1.00 2.45 C ATOM 265 CD ARG A 798 17.577 -1.730 -21.955 1.00 3.01 C ATOM 266 NE ARG A 798 17.540 -3.120 -21.448 1.00 50.01 N ATOM 267 CZ ARG A 798 18.572 -3.985 -21.535 1.00 64.44 C ATOM 268 NH1 ARG A 798 19.734 -3.610 -22.112 1.00 22.14 N ATOM 269 NH2 ARG A 798 18.429 -5.204 -21.049 1.00 31.10 N ATOM 0 H ARG A 798 18.628 0.272 -22.554 1.00 74.11 H new ATOM 0 HA ARG A 798 16.596 2.201 -22.325 1.00 21.43 H new ATOM 0 HB2 ARG A 798 15.140 0.475 -23.047 1.00 53.13 H new ATOM 0 HB3 ARG A 798 16.679 0.093 -23.795 1.00 53.13 H new ATOM 0 HG2 ARG A 798 15.647 -1.138 -21.195 1.00 2.45 H new ATOM 0 HG3 ARG A 798 15.586 -1.915 -22.765 1.00 2.45 H new ATOM 0 HD2 ARG A 798 18.125 -1.692 -22.897 1.00 3.01 H new ATOM 0 HD3 ARG A 798 18.110 -1.091 -21.251 1.00 3.01 H new ATOM 0 HE ARG A 798 16.680 -3.444 -21.005 1.00 50.01 H new ATOM 0 HH11 ARG A 798 19.836 -2.667 -22.486 1.00 22.14 H new ATOM 0 HH12 ARG A 798 20.509 -4.270 -22.174 1.00 22.14 H new ATOM 0 HH21 ARG A 798 17.548 -5.480 -20.616 1.00 31.10 H new ATOM 0 HH22 ARG A 798 19.200 -5.870 -21.107 1.00 31.10 H new ATOM 282 N SER A 799 17.258 0.577 -19.665 1.00 61.52 N ATOM 283 CA SER A 799 16.931 0.377 -18.264 1.00 33.53 C ATOM 284 C SER A 799 17.168 1.670 -17.481 1.00 62.32 C ATOM 285 O SER A 799 17.092 1.680 -16.254 1.00 33.34 O ATOM 286 CB SER A 799 17.753 -0.766 -17.664 1.00 10.44 C ATOM 287 OG SER A 799 19.151 -0.494 -17.702 1.00 65.35 O ATOM 0 H SER A 799 18.213 0.326 -19.920 1.00 61.52 H new ATOM 0 HA SER A 799 15.878 0.106 -18.194 1.00 33.53 H new ATOM 0 HB2 SER A 799 17.444 -0.932 -16.632 1.00 10.44 H new ATOM 0 HB3 SER A 799 17.548 -1.686 -18.211 1.00 10.44 H new ATOM 0 HG SER A 799 19.547 -0.926 -18.488 1.00 65.35 H new ATOM 293 N GLU A 800 17.452 2.730 -18.224 1.00 74.50 N ATOM 294 CA GLU A 800 17.701 4.025 -17.615 1.00 52.23 C ATOM 295 C GLU A 800 16.732 5.069 -18.174 1.00 11.31 C ATOM 296 O GLU A 800 16.272 4.950 -19.309 1.00 1.35 O ATOM 297 CB GLU A 800 19.153 4.458 -17.823 1.00 43.42 C ATOM 298 CG GLU A 800 19.615 5.387 -16.698 1.00 52.34 C ATOM 299 CD GLU A 800 20.272 4.594 -15.567 1.00 32.10 C ATOM 300 OE1 GLU A 800 19.586 4.183 -14.619 1.00 4.23 O ATOM 301 OE2 GLU A 800 21.542 4.407 -15.698 1.00 15.53 O ATOM 0 H GLU A 800 17.515 2.718 -19.242 1.00 74.50 H new ATOM 0 HA GLU A 800 17.532 3.939 -16.542 1.00 52.23 H new ATOM 0 HB2 GLU A 800 19.796 3.579 -17.861 1.00 43.42 H new ATOM 0 HB3 GLU A 800 19.251 4.966 -18.782 1.00 43.42 H new ATOM 0 HG2 GLU A 800 20.321 6.118 -17.092 1.00 52.34 H new ATOM 0 HG3 GLU A 800 18.763 5.944 -16.309 1.00 52.34 H new ATOM 309 N LEU A 801 16.450 6.069 -17.351 1.00 65.11 N ATOM 310 CA LEU A 801 15.545 7.133 -17.749 1.00 14.12 C ATOM 311 C LEU A 801 16.357 8.369 -18.141 1.00 23.31 C ATOM 312 O LEU A 801 17.335 8.710 -17.476 1.00 74.14 O ATOM 313 CB LEU A 801 14.514 7.398 -16.649 1.00 40.35 C ATOM 314 CG LEU A 801 13.125 7.832 -17.123 1.00 21.23 C ATOM 315 CD1 LEU A 801 12.222 8.170 -15.935 1.00 2.21 C ATOM 316 CD2 LEU A 801 13.222 8.990 -18.118 1.00 14.14 C ATOM 0 H LEU A 801 16.833 6.164 -16.410 1.00 65.11 H new ATOM 0 HA LEU A 801 14.972 6.837 -18.628 1.00 14.12 H new ATOM 0 HB2 LEU A 801 14.406 6.492 -16.053 1.00 40.35 H new ATOM 0 HB3 LEU A 801 14.908 8.169 -15.987 1.00 40.35 H new ATOM 0 HG LEU A 801 12.666 6.995 -17.649 1.00 21.23 H new ATOM 0 HD11 LEU A 801 11.241 8.475 -16.299 1.00 2.21 H new ATOM 0 HD12 LEU A 801 12.115 7.292 -15.298 1.00 2.21 H new ATOM 0 HD13 LEU A 801 12.665 8.984 -15.361 1.00 2.21 H new ATOM 0 HD21 LEU A 801 12.221 9.279 -18.439 1.00 14.14 H new ATOM 0 HD22 LEU A 801 13.709 9.840 -17.641 1.00 14.14 H new ATOM 0 HD23 LEU A 801 13.805 8.677 -18.984 1.00 14.14 H new ATOM 328 N SER A 802 15.923 9.006 -19.218 1.00 61.35 N ATOM 329 CA SER A 802 16.598 10.196 -19.707 1.00 1.10 C ATOM 330 C SER A 802 16.164 11.416 -18.891 1.00 62.43 C ATOM 331 O SER A 802 15.046 11.904 -19.045 1.00 35.52 O ATOM 332 CB SER A 802 16.311 10.422 -21.193 1.00 33.43 C ATOM 333 OG SER A 802 17.397 11.062 -21.855 1.00 44.54 O ATOM 0 H SER A 802 15.112 8.720 -19.766 1.00 61.35 H new ATOM 0 HA SER A 802 17.672 10.052 -19.591 1.00 1.10 H new ATOM 0 HB2 SER A 802 16.108 9.465 -21.673 1.00 33.43 H new ATOM 0 HB3 SER A 802 15.412 11.029 -21.300 1.00 33.43 H new ATOM 0 HG SER A 802 17.175 11.187 -22.801 1.00 44.54 H new ATOM 339 N LEU A 803 17.072 11.873 -18.042 1.00 22.13 N ATOM 340 CA LEU A 803 16.797 13.026 -17.202 1.00 4.14 C ATOM 341 C LEU A 803 17.343 14.286 -17.877 1.00 61.33 C ATOM 342 O LEU A 803 18.249 14.207 -18.706 1.00 1.14 O ATOM 343 CB LEU A 803 17.341 12.802 -15.789 1.00 34.50 C ATOM 344 CG LEU A 803 16.380 12.141 -14.798 1.00 60.32 C ATOM 345 CD1 LEU A 803 15.452 11.154 -15.509 1.00 51.14 C ATOM 346 CD2 LEU A 803 17.146 11.481 -13.649 1.00 55.23 C ATOM 0 H LEU A 803 17.999 11.466 -17.918 1.00 22.13 H new ATOM 0 HA LEU A 803 15.722 13.165 -17.087 1.00 4.14 H new ATOM 0 HB2 LEU A 803 18.238 12.187 -15.860 1.00 34.50 H new ATOM 0 HB3 LEU A 803 17.646 13.766 -15.381 1.00 34.50 H new ATOM 0 HG LEU A 803 15.751 12.918 -14.362 1.00 60.32 H new ATOM 0 HD11 LEU A 803 14.780 10.698 -14.782 1.00 51.14 H new ATOM 0 HD12 LEU A 803 14.868 11.682 -16.263 1.00 51.14 H new ATOM 0 HD13 LEU A 803 16.047 10.377 -15.990 1.00 51.14 H new ATOM 0 HD21 LEU A 803 16.440 11.019 -12.959 1.00 55.23 H new ATOM 0 HD22 LEU A 803 17.815 10.719 -14.048 1.00 55.23 H new ATOM 0 HD23 LEU A 803 17.729 12.235 -13.120 1.00 55.23 H new ATOM 358 N LYS A 804 16.769 15.418 -17.499 1.00 32.15 N ATOM 359 CA LYS A 804 17.186 16.692 -18.058 1.00 3.54 C ATOM 360 C LYS A 804 16.853 17.812 -17.069 1.00 61.30 C ATOM 361 O LYS A 804 15.683 18.112 -16.837 1.00 50.14 O ATOM 362 CB LYS A 804 16.574 16.895 -19.445 1.00 44.12 C ATOM 363 CG LYS A 804 17.496 17.733 -20.334 1.00 12.54 C ATOM 364 CD LYS A 804 17.171 19.223 -20.209 1.00 10.42 C ATOM 365 CE LYS A 804 18.275 20.079 -20.833 1.00 12.30 C ATOM 366 NZ LYS A 804 18.255 19.956 -22.308 1.00 20.23 N ATOM 0 H LYS A 804 16.018 15.479 -16.812 1.00 32.15 H new ATOM 0 HA LYS A 804 18.266 16.707 -18.206 1.00 3.54 H new ATOM 0 HB2 LYS A 804 16.394 15.927 -19.912 1.00 44.12 H new ATOM 0 HB3 LYS A 804 15.607 17.388 -19.351 1.00 44.12 H new ATOM 0 HG2 LYS A 804 18.535 17.559 -20.053 1.00 12.54 H new ATOM 0 HG3 LYS A 804 17.389 17.420 -21.373 1.00 12.54 H new ATOM 0 HD2 LYS A 804 16.221 19.434 -20.700 1.00 10.42 H new ATOM 0 HD3 LYS A 804 17.052 19.486 -19.158 1.00 10.42 H new ATOM 0 HE2 LYS A 804 18.140 21.122 -20.547 1.00 12.30 H new ATOM 0 HE3 LYS A 804 19.246 19.767 -20.449 1.00 12.30 H new ATOM 0 HZ1 LYS A 804 19.010 20.543 -22.716 1.00 20.23 H new ATOM 0 HZ2 LYS A 804 18.406 18.962 -22.576 1.00 20.23 H new ATOM 0 HZ3 LYS A 804 17.334 20.276 -22.671 1.00 20.23 H new ATOM 379 N GLU A 805 17.903 18.398 -16.513 1.00 13.32 N ATOM 380 CA GLU A 805 17.736 19.478 -15.555 1.00 22.15 C ATOM 381 C GLU A 805 16.588 20.394 -15.982 1.00 1.53 C ATOM 382 O GLU A 805 16.469 20.740 -17.156 1.00 71.33 O ATOM 383 CB GLU A 805 19.036 20.268 -15.388 1.00 14.14 C ATOM 384 CG GLU A 805 19.982 19.567 -14.411 1.00 11.44 C ATOM 385 CD GLU A 805 21.443 19.853 -14.762 1.00 42.43 C ATOM 386 OE1 GLU A 805 22.181 20.412 -13.938 1.00 4.25 O ATOM 387 OE2 GLU A 805 21.805 19.472 -15.940 1.00 42.03 O ATOM 0 H GLU A 805 18.872 18.146 -16.707 1.00 13.32 H new ATOM 0 HA GLU A 805 17.486 19.044 -14.587 1.00 22.15 H new ATOM 0 HB2 GLU A 805 19.525 20.380 -16.356 1.00 14.14 H new ATOM 0 HB3 GLU A 805 18.812 21.271 -15.026 1.00 14.14 H new ATOM 0 HG2 GLU A 805 19.776 19.903 -13.395 1.00 11.44 H new ATOM 0 HG3 GLU A 805 19.803 18.492 -14.433 1.00 11.44 H new ATOM 395 N GLY A 806 15.772 20.763 -15.005 1.00 22.51 N ATOM 396 CA GLY A 806 14.638 21.632 -15.265 1.00 53.41 C ATOM 397 C GLY A 806 13.419 20.824 -15.714 1.00 54.10 C ATOM 398 O GLY A 806 12.390 21.394 -16.074 1.00 52.10 O ATOM 0 H GLY A 806 15.874 20.475 -14.032 1.00 22.51 H new ATOM 0 HA2 GLY A 806 14.393 22.196 -14.365 1.00 53.41 H new ATOM 0 HA3 GLY A 806 14.901 22.358 -16.034 1.00 53.41 H new ATOM 402 N ASP A 807 13.575 19.509 -15.678 1.00 74.11 N ATOM 403 CA ASP A 807 12.499 18.617 -16.077 1.00 24.42 C ATOM 404 C ASP A 807 11.930 17.925 -14.837 1.00 25.55 C ATOM 405 O ASP A 807 12.547 17.945 -13.772 1.00 71.33 O ATOM 406 CB ASP A 807 13.007 17.534 -17.031 1.00 24.00 C ATOM 407 CG ASP A 807 13.513 18.047 -18.381 1.00 3.13 C ATOM 408 OD1 ASP A 807 13.402 17.361 -19.407 1.00 61.33 O ATOM 409 OD2 ASP A 807 14.048 19.221 -18.352 1.00 23.41 O ATOM 0 H ASP A 807 14.430 19.040 -15.379 1.00 74.11 H new ATOM 0 HA ASP A 807 11.736 19.212 -16.580 1.00 24.42 H new ATOM 0 HB2 ASP A 807 13.814 16.989 -16.541 1.00 24.00 H new ATOM 0 HB3 ASP A 807 12.202 16.821 -17.209 1.00 24.00 H new ATOM 415 N ILE A 808 10.761 17.328 -15.015 1.00 12.40 N ATOM 416 CA ILE A 808 10.102 16.631 -13.924 1.00 12.45 C ATOM 417 C ILE A 808 9.997 15.143 -14.264 1.00 5.34 C ATOM 418 O ILE A 808 9.690 14.782 -15.399 1.00 10.34 O ATOM 419 CB ILE A 808 8.756 17.285 -13.605 1.00 54.34 C ATOM 420 CG1 ILE A 808 8.141 17.913 -14.858 1.00 61.34 C ATOM 421 CG2 ILE A 808 8.893 18.297 -12.466 1.00 43.42 C ATOM 422 CD1 ILE A 808 8.790 19.262 -15.171 1.00 5.55 C ATOM 0 H ILE A 808 10.253 17.313 -15.899 1.00 12.40 H new ATOM 0 HA ILE A 808 10.692 16.709 -13.011 1.00 12.45 H new ATOM 0 HB ILE A 808 8.072 16.508 -13.264 1.00 54.34 H new ATOM 0 HG12 ILE A 808 8.267 17.240 -15.706 1.00 61.34 H new ATOM 0 HG13 ILE A 808 7.069 18.046 -14.713 1.00 61.34 H new ATOM 0 HG21 ILE A 808 7.922 18.747 -12.260 1.00 43.42 H new ATOM 0 HG22 ILE A 808 9.256 17.791 -11.571 1.00 43.42 H new ATOM 0 HG23 ILE A 808 9.599 19.076 -12.754 1.00 43.42 H new ATOM 0 HD11 ILE A 808 8.334 19.686 -16.066 1.00 5.55 H new ATOM 0 HD12 ILE A 808 8.641 19.941 -14.331 1.00 5.55 H new ATOM 0 HD13 ILE A 808 9.858 19.122 -15.339 1.00 5.55 H new ATOM 434 N ILE A 809 10.260 14.320 -13.259 1.00 75.24 N ATOM 435 CA ILE A 809 10.199 12.879 -13.438 1.00 20.02 C ATOM 436 C ILE A 809 8.963 12.332 -12.721 1.00 52.20 C ATOM 437 O ILE A 809 8.871 12.399 -11.496 1.00 72.23 O ATOM 438 CB ILE A 809 11.509 12.228 -12.988 1.00 53.03 C ATOM 439 CG1 ILE A 809 12.565 12.301 -14.093 1.00 53.21 C ATOM 440 CG2 ILE A 809 11.273 10.792 -12.515 1.00 0.32 C ATOM 441 CD1 ILE A 809 13.320 13.631 -14.042 1.00 64.50 C ATOM 0 H ILE A 809 10.516 14.623 -12.319 1.00 75.24 H new ATOM 0 HA ILE A 809 10.092 12.630 -14.494 1.00 20.02 H new ATOM 0 HB ILE A 809 11.895 12.789 -12.136 1.00 53.03 H new ATOM 0 HG12 ILE A 809 13.268 11.475 -13.984 1.00 53.21 H new ATOM 0 HG13 ILE A 809 12.087 12.187 -15.066 1.00 53.21 H new ATOM 0 HG21 ILE A 809 12.220 10.352 -12.201 1.00 0.32 H new ATOM 0 HG22 ILE A 809 10.578 10.795 -11.675 1.00 0.32 H new ATOM 0 HG23 ILE A 809 10.853 10.204 -13.331 1.00 0.32 H new ATOM 0 HD11 ILE A 809 14.065 13.657 -14.838 1.00 64.50 H new ATOM 0 HD12 ILE A 809 12.617 14.454 -14.175 1.00 64.50 H new ATOM 0 HD13 ILE A 809 13.817 13.731 -13.077 1.00 64.50 H new ATOM 453 N LYS A 810 8.043 11.804 -13.515 1.00 62.11 N ATOM 454 CA LYS A 810 6.816 11.246 -12.972 1.00 25.12 C ATOM 455 C LYS A 810 7.143 9.970 -12.193 1.00 73.22 C ATOM 456 O LYS A 810 7.563 8.972 -12.777 1.00 42.44 O ATOM 457 CB LYS A 810 5.783 11.042 -14.081 1.00 61.05 C ATOM 458 CG LYS A 810 4.630 10.159 -13.601 1.00 74.01 C ATOM 459 CD LYS A 810 4.124 10.615 -12.231 1.00 22.22 C ATOM 460 CE LYS A 810 2.635 10.305 -12.065 1.00 0.21 C ATOM 461 NZ LYS A 810 2.240 10.405 -10.642 1.00 23.30 N ATOM 0 H LYS A 810 8.123 11.751 -14.530 1.00 62.11 H new ATOM 0 HA LYS A 810 6.360 11.942 -12.268 1.00 25.12 H new ATOM 0 HB2 LYS A 810 5.396 12.008 -14.404 1.00 61.05 H new ATOM 0 HB3 LYS A 810 6.260 10.584 -14.947 1.00 61.05 H new ATOM 0 HG2 LYS A 810 3.815 10.194 -14.324 1.00 74.01 H new ATOM 0 HG3 LYS A 810 4.961 9.122 -13.544 1.00 74.01 H new ATOM 0 HD2 LYS A 810 4.692 10.117 -11.445 1.00 22.22 H new ATOM 0 HD3 LYS A 810 4.291 11.686 -12.116 1.00 22.22 H new ATOM 0 HE2 LYS A 810 2.044 11.000 -12.662 1.00 0.21 H new ATOM 0 HE3 LYS A 810 2.422 9.303 -12.438 1.00 0.21 H new ATOM 0 HZ1 LYS A 810 1.260 10.747 -10.577 1.00 23.30 H new ATOM 0 HZ2 LYS A 810 2.311 9.468 -10.196 1.00 23.30 H new ATOM 0 HZ3 LYS A 810 2.872 11.070 -10.152 1.00 23.30 H new ATOM 474 N ILE A 811 6.936 10.043 -10.887 1.00 25.05 N ATOM 475 CA ILE A 811 7.203 8.906 -10.022 1.00 4.11 C ATOM 476 C ILE A 811 6.126 7.842 -10.238 1.00 55.14 C ATOM 477 O ILE A 811 4.939 8.110 -10.057 1.00 33.20 O ATOM 478 CB ILE A 811 7.337 9.359 -8.567 1.00 12.33 C ATOM 479 CG1 ILE A 811 8.282 10.557 -8.450 1.00 22.43 C ATOM 480 CG2 ILE A 811 7.768 8.198 -7.668 1.00 42.42 C ATOM 481 CD1 ILE A 811 9.734 10.097 -8.303 1.00 60.43 C ATOM 0 H ILE A 811 6.586 10.872 -10.406 1.00 25.05 H new ATOM 0 HA ILE A 811 8.159 8.449 -10.278 1.00 4.11 H new ATOM 0 HB ILE A 811 6.357 9.687 -8.220 1.00 12.33 H new ATOM 0 HG12 ILE A 811 8.185 11.189 -9.333 1.00 22.43 H new ATOM 0 HG13 ILE A 811 8.000 11.164 -7.590 1.00 22.43 H new ATOM 0 HG21 ILE A 811 7.856 8.548 -6.639 1.00 42.42 H new ATOM 0 HG22 ILE A 811 7.024 7.403 -7.719 1.00 42.42 H new ATOM 0 HG23 ILE A 811 8.732 7.815 -8.005 1.00 42.42 H new ATOM 0 HD11 ILE A 811 10.385 10.967 -8.222 1.00 60.43 H new ATOM 0 HD12 ILE A 811 9.833 9.485 -7.406 1.00 60.43 H new ATOM 0 HD13 ILE A 811 10.020 9.510 -9.176 1.00 60.43 H new ATOM 493 N LEU A 812 6.577 6.657 -10.623 1.00 43.51 N ATOM 494 CA LEU A 812 5.666 5.552 -10.866 1.00 63.12 C ATOM 495 C LEU A 812 5.892 4.469 -9.810 1.00 24.34 C ATOM 496 O LEU A 812 4.941 3.985 -9.198 1.00 61.32 O ATOM 497 CB LEU A 812 5.807 5.048 -12.304 1.00 22.32 C ATOM 498 CG LEU A 812 5.947 6.125 -13.382 1.00 34.43 C ATOM 499 CD1 LEU A 812 6.818 5.632 -14.539 1.00 11.50 C ATOM 500 CD2 LEU A 812 4.574 6.602 -13.860 1.00 41.24 C ATOM 0 H LEU A 812 7.562 6.438 -10.773 1.00 43.51 H new ATOM 0 HA LEU A 812 4.632 5.882 -10.768 1.00 63.12 H new ATOM 0 HB2 LEU A 812 6.678 4.395 -12.355 1.00 22.32 H new ATOM 0 HB3 LEU A 812 4.936 4.436 -12.541 1.00 22.32 H new ATOM 0 HG LEU A 812 6.452 6.985 -12.943 1.00 34.43 H new ATOM 0 HD11 LEU A 812 6.901 6.416 -15.291 1.00 11.50 H new ATOM 0 HD12 LEU A 812 7.811 5.380 -14.166 1.00 11.50 H new ATOM 0 HD13 LEU A 812 6.363 4.748 -14.986 1.00 11.50 H new ATOM 0 HD21 LEU A 812 4.701 7.367 -14.626 1.00 41.24 H new ATOM 0 HD22 LEU A 812 4.021 5.760 -14.276 1.00 41.24 H new ATOM 0 HD23 LEU A 812 4.021 7.019 -13.019 1.00 41.24 H new ATOM 512 N ASN A 813 7.157 4.120 -9.627 1.00 64.11 N ATOM 513 CA ASN A 813 7.521 3.103 -8.655 1.00 75.20 C ATOM 514 C ASN A 813 8.495 3.700 -7.638 1.00 14.43 C ATOM 515 O ASN A 813 9.235 4.631 -7.954 1.00 33.41 O ATOM 516 CB ASN A 813 8.211 1.917 -9.331 1.00 24.32 C ATOM 517 CG ASN A 813 7.827 0.600 -8.654 1.00 21.35 C ATOM 518 OD1 ASN A 813 6.837 0.500 -7.948 1.00 53.30 O ATOM 519 ND2 ASN A 813 8.664 -0.403 -8.907 1.00 14.25 N ATOM 0 H ASN A 813 7.943 4.524 -10.136 1.00 64.11 H new ATOM 0 HA ASN A 813 6.608 2.760 -8.169 1.00 75.20 H new ATOM 0 HB2 ASN A 813 7.934 1.883 -10.385 1.00 24.32 H new ATOM 0 HB3 ASN A 813 9.292 2.049 -9.290 1.00 24.32 H new ATOM 0 HD21 ASN A 813 8.495 -1.323 -8.501 1.00 14.25 H new ATOM 0 HD22 ASN A 813 9.475 -0.252 -9.507 1.00 14.25 H new ATOM 526 N LYS A 814 8.463 3.142 -6.437 1.00 31.41 N ATOM 527 CA LYS A 814 9.334 3.608 -5.371 1.00 73.32 C ATOM 528 C LYS A 814 9.916 2.402 -4.630 1.00 50.33 C ATOM 529 O LYS A 814 9.422 2.023 -3.570 1.00 34.12 O ATOM 530 CB LYS A 814 8.590 4.588 -4.462 1.00 2.12 C ATOM 531 CG LYS A 814 8.750 6.026 -4.959 1.00 4.31 C ATOM 532 CD LYS A 814 8.877 7.001 -3.786 1.00 64.32 C ATOM 533 CE LYS A 814 7.507 7.538 -3.369 1.00 71.00 C ATOM 534 NZ LYS A 814 7.648 8.845 -2.689 1.00 53.00 N ATOM 0 H LYS A 814 7.847 2.371 -6.178 1.00 31.41 H new ATOM 0 HA LYS A 814 10.175 4.166 -5.782 1.00 73.32 H new ATOM 0 HB2 LYS A 814 7.532 4.327 -4.428 1.00 2.12 H new ATOM 0 HB3 LYS A 814 8.971 4.507 -3.444 1.00 2.12 H new ATOM 0 HG2 LYS A 814 9.633 6.099 -5.594 1.00 4.31 H new ATOM 0 HG3 LYS A 814 7.892 6.300 -5.573 1.00 4.31 H new ATOM 0 HD2 LYS A 814 9.348 6.499 -2.941 1.00 64.32 H new ATOM 0 HD3 LYS A 814 9.527 7.830 -4.066 1.00 64.32 H new ATOM 0 HE2 LYS A 814 6.869 7.645 -4.246 1.00 71.00 H new ATOM 0 HE3 LYS A 814 7.018 6.826 -2.704 1.00 71.00 H new ATOM 0 HZ1 LYS A 814 6.709 9.196 -2.412 1.00 53.00 H new ATOM 0 HZ2 LYS A 814 8.239 8.733 -1.841 1.00 53.00 H new ATOM 0 HZ3 LYS A 814 8.095 9.526 -3.335 1.00 53.00 H new ATOM 609 N GLY A 819 18.092 3.337 -3.568 1.00 33.44 N ATOM 610 CA GLY A 819 18.635 2.891 -4.839 1.00 61.33 C ATOM 611 C GLY A 819 18.227 3.835 -5.972 1.00 13.35 C ATOM 612 O GLY A 819 18.907 4.825 -6.235 1.00 4.53 O ATOM 0 HA2 GLY A 819 19.722 2.841 -4.776 1.00 61.33 H new ATOM 0 HA3 GLY A 819 18.281 1.883 -5.056 1.00 61.33 H new ATOM 616 N TRP A 820 17.117 3.496 -6.611 1.00 62.11 N ATOM 617 CA TRP A 820 16.610 4.301 -7.709 1.00 11.40 C ATOM 618 C TRP A 820 15.083 4.317 -7.618 1.00 13.35 C ATOM 619 O TRP A 820 14.499 3.606 -6.802 1.00 33.23 O ATOM 620 CB TRP A 820 17.123 3.781 -9.053 1.00 51.22 C ATOM 621 CG TRP A 820 16.709 2.341 -9.362 1.00 62.01 C ATOM 622 CD1 TRP A 820 15.905 1.542 -8.647 1.00 51.33 C ATOM 623 CD2 TRP A 820 17.115 1.556 -10.503 1.00 75.13 C ATOM 624 NE1 TRP A 820 15.763 0.305 -9.242 1.00 32.13 N ATOM 625 CE2 TRP A 820 16.522 0.314 -10.406 1.00 73.43 C ATOM 626 CE3 TRP A 820 17.954 1.885 -11.582 1.00 22.21 C ATOM 627 CZ2 TRP A 820 16.705 -0.700 -11.355 1.00 10.50 C ATOM 628 CZ3 TRP A 820 18.127 0.861 -12.522 1.00 3.45 C ATOM 629 CH2 TRP A 820 17.538 -0.395 -12.438 1.00 53.42 C ATOM 0 H TRP A 820 16.554 2.675 -6.389 1.00 62.11 H new ATOM 0 HA TRP A 820 16.974 5.326 -7.636 1.00 11.40 H new ATOM 0 HB2 TRP A 820 16.756 4.432 -9.847 1.00 51.22 H new ATOM 0 HB3 TRP A 820 18.211 3.846 -9.065 1.00 51.22 H new ATOM 0 HD1 TRP A 820 15.428 1.830 -7.722 1.00 51.33 H new ATOM 0 HE1 TRP A 820 15.204 -0.473 -8.892 1.00 32.13 H new ATOM 0 HE3 TRP A 820 18.428 2.851 -11.679 1.00 22.21 H new ATOM 0 HZ2 TRP A 820 16.229 -1.665 -11.257 1.00 10.50 H new ATOM 0 HZ3 TRP A 820 18.763 1.062 -13.372 1.00 3.45 H new ATOM 0 HH2 TRP A 820 17.722 -1.133 -13.205 1.00 53.42 H new ATOM 640 N TRP A 821 14.480 5.137 -8.466 1.00 75.42 N ATOM 641 CA TRP A 821 13.031 5.255 -8.491 1.00 65.44 C ATOM 642 C TRP A 821 12.576 5.180 -9.950 1.00 44.03 C ATOM 643 O TRP A 821 13.211 5.757 -10.832 1.00 74.24 O ATOM 644 CB TRP A 821 12.573 6.533 -7.787 1.00 22.12 C ATOM 645 CG TRP A 821 12.449 6.396 -6.268 1.00 3.20 C ATOM 646 CD1 TRP A 821 12.248 5.280 -5.554 1.00 1.32 C ATOM 647 CD2 TRP A 821 12.527 7.463 -5.299 1.00 42.34 C ATOM 648 NE1 TRP A 821 12.191 5.549 -4.201 1.00 73.13 N ATOM 649 CE2 TRP A 821 12.366 6.919 -4.042 1.00 21.42 C ATOM 650 CE3 TRP A 821 12.728 8.843 -5.480 1.00 55.21 C ATOM 651 CZ2 TRP A 821 12.388 7.681 -2.868 1.00 23.23 C ATOM 652 CZ3 TRP A 821 12.747 9.591 -4.297 1.00 1.13 C ATOM 653 CH2 TRP A 821 12.586 9.058 -3.023 1.00 63.12 C ATOM 0 H TRP A 821 14.968 5.726 -9.141 1.00 75.42 H new ATOM 0 HA TRP A 821 12.568 4.437 -7.939 1.00 65.44 H new ATOM 0 HB2 TRP A 821 13.278 7.333 -8.013 1.00 22.12 H new ATOM 0 HB3 TRP A 821 11.608 6.834 -8.194 1.00 22.12 H new ATOM 0 HD1 TRP A 821 12.144 4.294 -5.983 1.00 1.32 H new ATOM 0 HE1 TRP A 821 12.047 4.868 -3.455 1.00 73.13 H new ATOM 0 HE3 TRP A 821 12.857 9.290 -6.454 1.00 55.21 H new ATOM 0 HZ2 TRP A 821 12.259 7.231 -1.895 1.00 23.23 H new ATOM 0 HZ3 TRP A 821 12.897 10.657 -4.380 1.00 1.13 H new ATOM 0 HH2 TRP A 821 12.614 9.703 -2.157 1.00 63.12 H new ATOM 664 N ARG A 822 11.481 4.465 -10.159 1.00 71.21 N ATOM 665 CA ARG A 822 10.933 4.307 -11.496 1.00 5.31 C ATOM 666 C ARG A 822 10.090 5.527 -11.871 1.00 54.20 C ATOM 667 O ARG A 822 9.378 6.076 -11.031 1.00 51.03 O ATOM 668 CB ARG A 822 10.069 3.049 -11.592 1.00 61.43 C ATOM 669 CG ARG A 822 10.062 2.497 -13.019 1.00 73.53 C ATOM 670 CD ARG A 822 9.074 1.336 -13.153 1.00 31.31 C ATOM 671 NE ARG A 822 9.642 0.114 -12.540 1.00 43.43 N ATOM 672 CZ ARG A 822 9.201 -1.136 -12.795 1.00 12.24 C ATOM 673 NH1 ARG A 822 8.180 -1.340 -13.653 1.00 74.35 N ATOM 674 NH2 ARG A 822 9.783 -2.155 -12.191 1.00 34.24 N ATOM 0 H ARG A 822 10.958 3.988 -9.425 1.00 71.21 H new ATOM 0 HA ARG A 822 11.769 4.212 -12.188 1.00 5.31 H new ATOM 0 HB2 ARG A 822 10.447 2.290 -10.907 1.00 61.43 H new ATOM 0 HB3 ARG A 822 9.050 3.279 -11.282 1.00 61.43 H new ATOM 0 HG2 ARG A 822 9.794 3.289 -13.718 1.00 73.53 H new ATOM 0 HG3 ARG A 822 11.063 2.160 -13.287 1.00 73.53 H new ATOM 0 HD2 ARG A 822 8.132 1.592 -12.668 1.00 31.31 H new ATOM 0 HD3 ARG A 822 8.853 1.156 -14.205 1.00 31.31 H new ATOM 0 HE ARG A 822 10.415 0.224 -11.884 1.00 43.43 H new ATOM 0 HH11 ARG A 822 7.735 -0.546 -14.114 1.00 74.35 H new ATOM 0 HH12 ARG A 822 7.853 -2.288 -13.840 1.00 74.35 H new ATOM 0 HH21 ARG A 822 10.553 -1.991 -11.543 1.00 34.24 H new ATOM 0 HH22 ARG A 822 9.462 -3.106 -12.372 1.00 34.24 H new ATOM 687 N GLY A 823 10.197 5.916 -13.133 1.00 71.41 N ATOM 688 CA GLY A 823 9.452 7.060 -13.630 1.00 5.53 C ATOM 689 C GLY A 823 9.471 7.105 -15.159 1.00 1.20 C ATOM 690 O GLY A 823 9.804 6.115 -15.809 1.00 4.25 O ATOM 0 H GLY A 823 10.789 5.459 -13.827 1.00 71.41 H new ATOM 0 HA2 GLY A 823 8.422 7.009 -13.277 1.00 5.53 H new ATOM 0 HA3 GLY A 823 9.881 7.979 -13.230 1.00 5.53 H new ATOM 694 N GLU A 824 9.109 8.264 -15.690 1.00 32.23 N ATOM 695 CA GLU A 824 9.080 8.451 -17.130 1.00 73.44 C ATOM 696 C GLU A 824 9.092 9.942 -17.473 1.00 25.23 C ATOM 697 O GLU A 824 8.745 10.777 -16.639 1.00 21.31 O ATOM 698 CB GLU A 824 7.865 7.757 -17.749 1.00 35.42 C ATOM 699 CG GLU A 824 7.529 8.354 -19.116 1.00 54.55 C ATOM 700 CD GLU A 824 6.309 7.666 -19.731 1.00 74.44 C ATOM 701 OE1 GLU A 824 6.420 7.044 -20.799 1.00 11.33 O ATOM 702 OE2 GLU A 824 5.215 7.792 -19.059 1.00 71.32 O ATOM 0 H GLU A 824 8.833 9.083 -15.148 1.00 32.23 H new ATOM 0 HA GLU A 824 9.974 7.993 -17.553 1.00 73.44 H new ATOM 0 HB2 GLU A 824 8.065 6.691 -17.853 1.00 35.42 H new ATOM 0 HB3 GLU A 824 7.007 7.857 -17.084 1.00 35.42 H new ATOM 0 HG2 GLU A 824 7.335 9.422 -19.013 1.00 54.55 H new ATOM 0 HG3 GLU A 824 8.385 8.249 -19.783 1.00 54.55 H new ATOM 710 N ILE A 825 9.497 10.231 -18.701 1.00 33.11 N ATOM 711 CA ILE A 825 9.559 11.607 -19.164 1.00 23.13 C ATOM 712 C ILE A 825 9.362 11.640 -20.681 1.00 31.35 C ATOM 713 O ILE A 825 9.950 10.838 -21.404 1.00 64.22 O ATOM 714 CB ILE A 825 10.857 12.270 -18.698 1.00 11.31 C ATOM 715 CG1 ILE A 825 10.743 12.739 -17.246 1.00 34.12 C ATOM 716 CG2 ILE A 825 11.259 13.409 -19.638 1.00 35.03 C ATOM 717 CD1 ILE A 825 11.841 13.748 -16.907 1.00 43.44 C ATOM 0 H ILE A 825 9.785 9.536 -19.389 1.00 33.11 H new ATOM 0 HA ILE A 825 8.752 12.194 -18.725 1.00 23.13 H new ATOM 0 HB ILE A 825 11.653 11.526 -18.734 1.00 11.31 H new ATOM 0 HG12 ILE A 825 9.765 13.192 -17.082 1.00 34.12 H new ATOM 0 HG13 ILE A 825 10.813 11.882 -16.577 1.00 34.12 H new ATOM 0 HG21 ILE A 825 12.185 13.863 -19.284 1.00 35.03 H new ATOM 0 HG22 ILE A 825 11.409 13.015 -20.643 1.00 35.03 H new ATOM 0 HG23 ILE A 825 10.470 14.161 -19.657 1.00 35.03 H new ATOM 0 HD11 ILE A 825 11.736 14.065 -15.869 1.00 43.44 H new ATOM 0 HD12 ILE A 825 12.817 13.284 -17.048 1.00 43.44 H new ATOM 0 HD13 ILE A 825 11.753 14.615 -17.562 1.00 43.44 H new ATOM 729 N TYR A 826 8.532 12.575 -21.117 1.00 14.40 N ATOM 730 CA TYR A 826 8.249 12.723 -22.535 1.00 2.33 C ATOM 731 C TYR A 826 7.726 11.414 -23.129 1.00 62.01 C ATOM 732 O TYR A 826 7.723 11.238 -24.346 1.00 43.25 O ATOM 733 CB TYR A 826 9.584 13.073 -23.196 1.00 72.42 C ATOM 734 CG TYR A 826 10.220 14.362 -22.672 1.00 34.51 C ATOM 735 CD1 TYR A 826 9.425 15.448 -22.366 1.00 23.15 C ATOM 736 CD2 TYR A 826 11.587 14.438 -22.505 1.00 44.13 C ATOM 737 CE1 TYR A 826 10.024 16.661 -21.872 1.00 53.10 C ATOM 738 CE2 TYR A 826 12.186 15.651 -22.012 1.00 11.32 C ATOM 739 CZ TYR A 826 11.374 16.703 -21.719 1.00 65.15 C ATOM 740 OH TYR A 826 11.940 17.849 -21.253 1.00 73.24 O ATOM 0 H TYR A 826 8.046 13.238 -20.514 1.00 14.40 H new ATOM 0 HA TYR A 826 7.489 13.487 -22.698 1.00 2.33 H new ATOM 0 HB2 TYR A 826 10.280 12.248 -23.043 1.00 72.42 H new ATOM 0 HB3 TYR A 826 9.432 13.166 -24.271 1.00 72.42 H new ATOM 0 HD1 TYR A 826 8.355 15.388 -22.497 1.00 23.15 H new ATOM 0 HD2 TYR A 826 12.208 13.588 -22.744 1.00 44.13 H new ATOM 0 HE1 TYR A 826 9.414 17.518 -21.628 1.00 53.10 H new ATOM 0 HE2 TYR A 826 13.255 15.724 -21.878 1.00 11.32 H new ATOM 0 HH TYR A 826 12.710 17.628 -20.688 1.00 73.24 H new ATOM 750 N GLY A 827 7.296 10.529 -22.242 1.00 62.30 N ATOM 751 CA GLY A 827 6.772 9.241 -22.664 1.00 20.23 C ATOM 752 C GLY A 827 7.884 8.192 -22.733 1.00 42.33 C ATOM 753 O GLY A 827 7.752 7.188 -23.431 1.00 24.22 O ATOM 0 H GLY A 827 7.300 10.678 -21.233 1.00 62.30 H new ATOM 0 HA2 GLY A 827 6.000 8.913 -21.968 1.00 20.23 H new ATOM 0 HA3 GLY A 827 6.299 9.339 -23.641 1.00 20.23 H new ATOM 757 N ARG A 828 8.955 8.462 -22.001 1.00 14.04 N ATOM 758 CA ARG A 828 10.089 7.554 -21.970 1.00 50.44 C ATOM 759 C ARG A 828 10.260 6.965 -20.569 1.00 1.22 C ATOM 760 O ARG A 828 10.504 7.696 -19.610 1.00 30.11 O ATOM 761 CB ARG A 828 11.379 8.271 -22.376 1.00 35.01 C ATOM 762 CG ARG A 828 11.517 8.330 -23.898 1.00 43.35 C ATOM 763 CD ARG A 828 12.288 7.119 -24.426 1.00 63.34 C ATOM 764 NE ARG A 828 12.827 7.410 -25.774 1.00 23.33 N ATOM 765 CZ ARG A 828 12.075 7.470 -26.893 1.00 0.40 C ATOM 766 NH1 ARG A 828 10.743 7.260 -26.835 1.00 53.43 N ATOM 767 NH2 ARG A 828 12.662 7.738 -28.045 1.00 33.03 N ATOM 0 H ARG A 828 9.061 9.297 -21.425 1.00 14.04 H new ATOM 0 HA ARG A 828 9.892 6.753 -22.682 1.00 50.44 H new ATOM 0 HB2 ARG A 828 11.382 9.282 -21.968 1.00 35.01 H new ATOM 0 HB3 ARG A 828 12.237 7.752 -21.949 1.00 35.01 H new ATOM 0 HG2 ARG A 828 10.528 8.364 -24.355 1.00 43.35 H new ATOM 0 HG3 ARG A 828 12.032 9.247 -24.185 1.00 43.35 H new ATOM 0 HD2 ARG A 828 13.103 6.871 -23.745 1.00 63.34 H new ATOM 0 HD3 ARG A 828 11.632 6.250 -24.468 1.00 63.34 H new ATOM 0 HE ARG A 828 13.830 7.576 -25.862 1.00 23.33 H new ATOM 0 HH11 ARG A 828 10.298 7.054 -25.941 1.00 53.43 H new ATOM 0 HH12 ARG A 828 10.182 7.307 -27.685 1.00 53.43 H new ATOM 0 HH21 ARG A 828 13.669 7.896 -28.080 1.00 33.03 H new ATOM 0 HH22 ARG A 828 12.108 7.787 -28.900 1.00 33.03 H new ATOM 780 N ILE A 829 10.126 5.649 -20.494 1.00 53.24 N ATOM 781 CA ILE A 829 10.262 4.954 -19.226 1.00 64.50 C ATOM 782 C ILE A 829 11.736 4.615 -18.991 1.00 71.35 C ATOM 783 O ILE A 829 12.498 4.449 -19.943 1.00 14.20 O ATOM 784 CB ILE A 829 9.337 3.736 -19.180 1.00 54.31 C ATOM 785 CG1 ILE A 829 7.901 4.126 -19.538 1.00 71.42 C ATOM 786 CG2 ILE A 829 9.419 3.036 -17.822 1.00 72.12 C ATOM 787 CD1 ILE A 829 7.119 4.545 -18.292 1.00 22.35 C ATOM 0 H ILE A 829 9.925 5.046 -21.291 1.00 53.24 H new ATOM 0 HA ILE A 829 9.946 5.597 -18.404 1.00 64.50 H new ATOM 0 HB ILE A 829 9.674 3.022 -19.931 1.00 54.31 H new ATOM 0 HG12 ILE A 829 7.912 4.945 -20.257 1.00 71.42 H new ATOM 0 HG13 ILE A 829 7.401 3.285 -20.019 1.00 71.42 H new ATOM 0 HG21 ILE A 829 8.752 2.174 -17.816 1.00 72.12 H new ATOM 0 HG22 ILE A 829 10.442 2.704 -17.645 1.00 72.12 H new ATOM 0 HG23 ILE A 829 9.121 3.730 -17.036 1.00 72.12 H new ATOM 0 HD11 ILE A 829 6.102 4.817 -18.575 1.00 22.35 H new ATOM 0 HD12 ILE A 829 7.089 3.716 -17.585 1.00 22.35 H new ATOM 0 HD13 ILE A 829 7.607 5.401 -17.827 1.00 22.35 H new ATOM 799 N GLY A 830 12.093 4.521 -17.719 1.00 42.51 N ATOM 800 CA GLY A 830 13.462 4.205 -17.347 1.00 51.34 C ATOM 801 C GLY A 830 13.635 4.223 -15.827 1.00 43.03 C ATOM 802 O GLY A 830 12.654 4.198 -15.087 1.00 14.44 O ATOM 0 H GLY A 830 11.458 4.658 -16.933 1.00 42.51 H new ATOM 0 HA2 GLY A 830 13.731 3.223 -17.736 1.00 51.34 H new ATOM 0 HA3 GLY A 830 14.142 4.925 -17.803 1.00 51.34 H new ATOM 806 N TRP A 831 14.891 4.266 -15.408 1.00 23.45 N ATOM 807 CA TRP A 831 15.206 4.287 -13.989 1.00 71.01 C ATOM 808 C TRP A 831 16.170 5.447 -13.736 1.00 44.51 C ATOM 809 O TRP A 831 16.860 5.897 -14.650 1.00 62.52 O ATOM 810 CB TRP A 831 15.761 2.937 -13.530 1.00 43.24 C ATOM 811 CG TRP A 831 14.784 1.772 -13.698 1.00 54.42 C ATOM 812 CD1 TRP A 831 14.415 1.161 -14.832 1.00 42.35 C ATOM 813 CD2 TRP A 831 14.060 1.099 -12.647 1.00 12.13 C ATOM 814 NE1 TRP A 831 13.511 0.148 -14.590 1.00 74.41 N ATOM 815 CE2 TRP A 831 13.288 0.109 -13.219 1.00 32.44 C ATOM 816 CE3 TRP A 831 14.058 1.320 -11.258 1.00 72.31 C ATOM 817 CZ2 TRP A 831 12.457 -0.740 -12.477 1.00 54.32 C ATOM 818 CZ3 TRP A 831 13.222 0.464 -10.531 1.00 73.42 C ATOM 819 CH2 TRP A 831 12.438 -0.538 -11.092 1.00 23.20 C ATOM 0 H TRP A 831 15.703 4.287 -16.026 1.00 23.45 H new ATOM 0 HA TRP A 831 14.305 4.447 -13.396 1.00 71.01 H new ATOM 0 HB2 TRP A 831 16.669 2.720 -14.092 1.00 43.24 H new ATOM 0 HB3 TRP A 831 16.045 3.011 -12.480 1.00 43.24 H new ATOM 0 HD1 TRP A 831 14.780 1.428 -15.813 1.00 42.35 H new ATOM 0 HE1 TRP A 831 13.085 -0.461 -15.289 1.00 74.41 H new ATOM 0 HE3 TRP A 831 14.654 2.089 -10.789 1.00 72.31 H new ATOM 0 HZ2 TRP A 831 11.863 -1.509 -12.948 1.00 54.32 H new ATOM 0 HZ3 TRP A 831 13.183 0.591 -9.459 1.00 73.42 H new ATOM 0 HH2 TRP A 831 11.817 -1.158 -10.462 1.00 23.20 H new ATOM 830 N PHE A 832 16.188 5.900 -12.491 1.00 74.10 N ATOM 831 CA PHE A 832 17.056 7.000 -12.106 1.00 61.52 C ATOM 832 C PHE A 832 17.240 7.048 -10.588 1.00 72.30 C ATOM 833 O PHE A 832 16.374 6.598 -9.840 1.00 35.13 O ATOM 834 CB PHE A 832 16.375 8.290 -12.567 1.00 31.32 C ATOM 835 CG PHE A 832 14.992 8.517 -11.953 1.00 20.35 C ATOM 836 CD1 PHE A 832 13.911 7.855 -12.447 1.00 5.22 C ATOM 837 CD2 PHE A 832 14.844 9.380 -10.912 1.00 54.02 C ATOM 838 CE1 PHE A 832 12.628 8.066 -11.877 1.00 21.14 C ATOM 839 CE2 PHE A 832 13.560 9.591 -10.342 1.00 63.30 C ATOM 840 CZ PHE A 832 12.480 8.929 -10.836 1.00 53.22 C ATOM 0 H PHE A 832 15.615 5.525 -11.735 1.00 74.10 H new ATOM 0 HA PHE A 832 18.039 6.875 -12.560 1.00 61.52 H new ATOM 0 HB2 PHE A 832 17.015 9.136 -12.317 1.00 31.32 H new ATOM 0 HB3 PHE A 832 16.281 8.271 -13.653 1.00 31.32 H new ATOM 0 HD1 PHE A 832 14.029 7.169 -13.273 1.00 5.22 H new ATOM 0 HD2 PHE A 832 15.702 9.905 -10.519 1.00 54.02 H new ATOM 0 HE1 PHE A 832 11.770 7.541 -12.270 1.00 21.14 H new ATOM 0 HE2 PHE A 832 13.442 10.277 -9.516 1.00 63.30 H new ATOM 0 HZ PHE A 832 11.504 9.088 -10.402 1.00 53.22 H new ATOM 850 N PRO A 833 18.404 7.612 -10.168 1.00 33.14 N ATOM 851 CA PRO A 833 18.712 7.725 -8.752 1.00 62.23 C ATOM 852 C PRO A 833 17.895 8.842 -8.100 1.00 72.22 C ATOM 853 O PRO A 833 17.582 9.843 -8.743 1.00 33.13 O ATOM 854 CB PRO A 833 20.210 7.974 -8.695 1.00 5.02 C ATOM 855 CG PRO A 833 20.607 8.453 -10.082 1.00 12.21 C ATOM 856 CD PRO A 833 19.453 8.155 -11.025 1.00 52.33 C ATOM 0 HA PRO A 833 18.449 6.828 -8.191 1.00 62.23 H new ATOM 0 HB2 PRO A 833 20.453 8.721 -7.940 1.00 5.02 H new ATOM 0 HB3 PRO A 833 20.747 7.064 -8.428 1.00 5.02 H new ATOM 0 HG2 PRO A 833 20.824 9.521 -10.070 1.00 12.21 H new ATOM 0 HG3 PRO A 833 21.513 7.948 -10.416 1.00 12.21 H new ATOM 0 HD2 PRO A 833 19.118 9.057 -11.538 1.00 52.33 H new ATOM 0 HD3 PRO A 833 19.745 7.440 -11.794 1.00 52.33 H new ATOM 864 N SER A 834 17.573 8.633 -6.832 1.00 73.12 N ATOM 865 CA SER A 834 16.798 9.610 -6.086 1.00 31.20 C ATOM 866 C SER A 834 17.725 10.677 -5.502 1.00 3.23 C ATOM 867 O SER A 834 17.277 11.566 -4.779 1.00 41.00 O ATOM 868 CB SER A 834 15.992 8.939 -4.972 1.00 23.13 C ATOM 869 OG SER A 834 15.318 9.891 -4.153 1.00 71.23 O ATOM 0 H SER A 834 17.835 7.802 -6.302 1.00 73.12 H new ATOM 0 HA SER A 834 16.095 10.084 -6.771 1.00 31.20 H new ATOM 0 HB2 SER A 834 15.263 8.258 -5.412 1.00 23.13 H new ATOM 0 HB3 SER A 834 16.659 8.337 -4.355 1.00 23.13 H new ATOM 0 HG SER A 834 14.438 9.541 -3.901 1.00 71.23 H new ATOM 875 N ASN A 835 19.001 10.554 -5.836 1.00 43.44 N ATOM 876 CA ASN A 835 19.996 11.498 -5.354 1.00 32.40 C ATOM 877 C ASN A 835 20.245 12.562 -6.425 1.00 32.33 C ATOM 878 O ASN A 835 20.942 13.545 -6.178 1.00 31.42 O ATOM 879 CB ASN A 835 21.325 10.797 -5.066 1.00 10.15 C ATOM 880 CG ASN A 835 21.339 10.207 -3.654 1.00 32.10 C ATOM 881 OD1 ASN A 835 21.397 10.911 -2.659 1.00 42.13 O ATOM 882 ND2 ASN A 835 21.282 8.879 -3.622 1.00 60.45 N ATOM 0 H ASN A 835 19.369 9.815 -6.435 1.00 43.44 H new ATOM 0 HA ASN A 835 19.618 11.947 -4.435 1.00 32.40 H new ATOM 0 HB2 ASN A 835 21.488 10.005 -5.797 1.00 10.15 H new ATOM 0 HB3 ASN A 835 22.146 11.506 -5.176 1.00 10.15 H new ATOM 0 HD21 ASN A 835 21.285 8.390 -2.727 1.00 60.45 H new ATOM 0 HD22 ASN A 835 21.235 8.349 -4.492 1.00 60.45 H new ATOM 889 N TYR A 836 19.661 12.330 -7.591 1.00 62.42 N ATOM 890 CA TYR A 836 19.811 13.256 -8.701 1.00 0.04 C ATOM 891 C TYR A 836 18.486 13.954 -9.015 1.00 61.42 C ATOM 892 O TYR A 836 18.449 14.898 -9.803 1.00 22.50 O ATOM 893 CB TYR A 836 20.226 12.408 -9.905 1.00 11.32 C ATOM 894 CG TYR A 836 21.718 12.071 -9.944 1.00 35.54 C ATOM 895 CD1 TYR A 836 22.323 11.494 -8.846 1.00 23.30 C ATOM 896 CD2 TYR A 836 22.457 12.343 -11.077 1.00 25.44 C ATOM 897 CE1 TYR A 836 23.727 11.176 -8.883 1.00 23.24 C ATOM 898 CE2 TYR A 836 23.861 12.025 -11.113 1.00 64.42 C ATOM 899 CZ TYR A 836 24.427 11.457 -10.014 1.00 61.13 C ATOM 900 OH TYR A 836 25.753 11.157 -10.049 1.00 20.31 O ATOM 0 H TYR A 836 19.083 11.514 -7.792 1.00 62.42 H new ATOM 0 HA TYR A 836 20.543 14.027 -8.461 1.00 0.04 H new ATOM 0 HB2 TYR A 836 19.654 11.480 -9.897 1.00 11.32 H new ATOM 0 HB3 TYR A 836 19.960 12.939 -10.819 1.00 11.32 H new ATOM 0 HD1 TYR A 836 21.744 11.281 -7.960 1.00 23.30 H new ATOM 0 HD2 TYR A 836 21.983 12.794 -11.936 1.00 25.44 H new ATOM 0 HE1 TYR A 836 24.213 10.724 -8.031 1.00 23.24 H new ATOM 0 HE2 TYR A 836 24.452 12.233 -11.993 1.00 64.42 H new ATOM 0 HH TYR A 836 26.123 11.412 -10.920 1.00 20.31 H new ATOM 910 N VAL A 837 17.431 13.462 -8.383 1.00 74.11 N ATOM 911 CA VAL A 837 16.107 14.026 -8.586 1.00 0.33 C ATOM 912 C VAL A 837 15.543 14.488 -7.241 1.00 10.34 C ATOM 913 O VAL A 837 16.019 14.069 -6.187 1.00 31.22 O ATOM 914 CB VAL A 837 15.208 13.011 -9.294 1.00 31.21 C ATOM 915 CG1 VAL A 837 15.852 12.519 -10.591 1.00 43.25 C ATOM 916 CG2 VAL A 837 14.871 11.839 -8.370 1.00 64.51 C ATOM 0 H VAL A 837 17.466 12.679 -7.730 1.00 74.11 H new ATOM 0 HA VAL A 837 16.160 14.900 -9.235 1.00 0.33 H new ATOM 0 HB VAL A 837 14.275 13.513 -9.553 1.00 31.21 H new ATOM 0 HG11 VAL A 837 15.192 11.799 -11.074 1.00 43.25 H new ATOM 0 HG12 VAL A 837 16.017 13.365 -11.259 1.00 43.25 H new ATOM 0 HG13 VAL A 837 16.806 12.043 -10.366 1.00 43.25 H new ATOM 0 HG21 VAL A 837 14.231 11.132 -8.898 1.00 64.51 H new ATOM 0 HG22 VAL A 837 15.791 11.339 -8.066 1.00 64.51 H new ATOM 0 HG23 VAL A 837 14.351 12.210 -7.487 1.00 64.51 H new ATOM 926 N GLU A 838 14.537 15.346 -7.320 1.00 53.45 N ATOM 927 CA GLU A 838 13.903 15.870 -6.122 1.00 73.04 C ATOM 928 C GLU A 838 12.380 15.813 -6.259 1.00 71.53 C ATOM 929 O GLU A 838 11.817 16.363 -7.204 1.00 51.20 O ATOM 930 CB GLU A 838 14.374 17.296 -5.832 1.00 14.34 C ATOM 931 CG GLU A 838 15.901 17.375 -5.807 1.00 44.22 C ATOM 932 CD GLU A 838 16.456 16.865 -4.475 1.00 75.04 C ATOM 933 OE1 GLU A 838 15.683 16.607 -3.541 1.00 32.24 O ATOM 934 OE2 GLU A 838 17.739 16.738 -4.431 1.00 55.24 O ATOM 0 H GLU A 838 14.145 15.692 -8.196 1.00 53.45 H new ATOM 0 HA GLU A 838 14.196 15.247 -5.277 1.00 73.04 H new ATOM 0 HB2 GLU A 838 13.984 17.973 -6.592 1.00 14.34 H new ATOM 0 HB3 GLU A 838 13.974 17.627 -4.874 1.00 14.34 H new ATOM 0 HG2 GLU A 838 16.312 16.785 -6.626 1.00 44.22 H new ATOM 0 HG3 GLU A 838 16.218 18.406 -5.966 1.00 44.22 H new ATOM 942 N GLU A 839 11.757 15.141 -5.302 1.00 53.02 N ATOM 943 CA GLU A 839 10.310 15.004 -5.304 1.00 40.51 C ATOM 944 C GLU A 839 9.705 15.752 -4.114 1.00 53.03 C ATOM 945 O GLU A 839 10.427 16.361 -3.327 1.00 1.03 O ATOM 946 CB GLU A 839 9.898 13.531 -5.293 1.00 24.03 C ATOM 947 CG GLU A 839 10.928 12.680 -4.547 1.00 63.44 C ATOM 948 CD GLU A 839 10.346 11.315 -4.176 1.00 34.40 C ATOM 949 OE1 GLU A 839 9.631 10.705 -4.985 1.00 72.31 O ATOM 950 OE2 GLU A 839 10.660 10.889 -2.999 1.00 41.43 O ATOM 0 H GLU A 839 12.228 14.686 -4.520 1.00 53.02 H new ATOM 0 HA GLU A 839 9.924 15.448 -6.222 1.00 40.51 H new ATOM 0 HB2 GLU A 839 8.922 13.426 -4.819 1.00 24.03 H new ATOM 0 HB3 GLU A 839 9.796 13.170 -6.317 1.00 24.03 H new ATOM 0 HG2 GLU A 839 11.813 12.545 -5.169 1.00 63.44 H new ATOM 0 HG3 GLU A 839 11.249 13.200 -3.644 1.00 63.44 H new ATOM 958 N ASP A 840 8.385 15.681 -4.021 1.00 40.21 N ATOM 959 CA ASP A 840 7.674 16.344 -2.941 1.00 24.34 C ATOM 960 C ASP A 840 8.290 17.724 -2.702 1.00 24.34 C ATOM 961 O ASP A 840 8.635 18.066 -1.572 1.00 0.44 O ATOM 962 CB ASP A 840 7.783 15.546 -1.640 1.00 33.04 C ATOM 963 CG ASP A 840 7.013 16.134 -0.455 1.00 24.42 C ATOM 964 OD1 ASP A 840 6.229 17.081 -0.609 1.00 51.35 O ATOM 965 OD2 ASP A 840 7.249 15.570 0.682 1.00 41.44 O ATOM 0 H ASP A 840 7.789 15.174 -4.676 1.00 40.21 H new ATOM 0 HA ASP A 840 6.626 16.427 -3.228 1.00 24.34 H new ATOM 0 HB2 ASP A 840 7.423 14.533 -1.821 1.00 33.04 H new ATOM 0 HB3 ASP A 840 8.835 15.467 -1.367 1.00 33.04 H new ATOM 971 N TYR A 841 8.410 18.478 -3.784 1.00 3.41 N ATOM 972 CA TYR A 841 8.979 19.813 -3.706 1.00 53.42 C ATOM 973 C TYR A 841 7.892 20.881 -3.844 1.00 54.25 C ATOM 974 O TYR A 841 7.976 21.942 -3.227 1.00 61.31 O ATOM 975 CB TYR A 841 9.944 19.930 -4.887 1.00 64.11 C ATOM 976 CG TYR A 841 9.344 19.498 -6.227 1.00 3.34 C ATOM 977 CD1 TYR A 841 8.521 20.359 -6.923 1.00 55.32 C ATOM 978 CD2 TYR A 841 9.626 18.248 -6.738 1.00 45.14 C ATOM 979 CE1 TYR A 841 7.956 19.953 -8.184 1.00 13.11 C ATOM 980 CE2 TYR A 841 9.062 17.842 -7.999 1.00 74.12 C ATOM 981 CZ TYR A 841 8.254 18.714 -8.660 1.00 1.53 C ATOM 982 OH TYR A 841 7.721 18.331 -9.850 1.00 74.24 O ATOM 0 H TYR A 841 8.123 18.190 -4.720 1.00 3.41 H new ATOM 0 HA TYR A 841 9.473 19.964 -2.746 1.00 53.42 H new ATOM 0 HB2 TYR A 841 10.280 20.964 -4.967 1.00 64.11 H new ATOM 0 HB3 TYR A 841 10.826 19.323 -4.683 1.00 64.11 H new ATOM 0 HD1 TYR A 841 8.300 21.337 -6.522 1.00 55.32 H new ATOM 0 HD2 TYR A 841 10.270 17.574 -6.192 1.00 45.14 H new ATOM 0 HE1 TYR A 841 7.310 20.617 -8.739 1.00 13.11 H new ATOM 0 HE2 TYR A 841 9.276 16.867 -8.411 1.00 74.12 H new ATOM 0 HH TYR A 841 7.165 19.055 -10.207 1.00 74.24 H new