USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 357 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 NoAdj-H: A 178 HIS HD1 : A 178 HIS ND1 : A1175 ZNZN :(H bumps) USER MOD NoAdj-H: A 204 HIS HD1 : A 204 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD NoAdj-H: A 207 HIS HD1 : A 207 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 174 MET CE :methyl 156:sc= -0.0552 (180deg=-0.555) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc=-0.00988 K(o=-0.0099,f=-1.1) USER MOD Single : A 185 MET CE :methyl -167:sc= -0.644 (180deg=-0.928) USER MOD Single : A 186 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 189 THR OG1 : rot -130:sc= -0.213 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 4.628 10.611 -7.795 1.00 51.53 N ATOM 2 CA SER A 168 4.904 9.180 -7.738 1.00 11.52 C ATOM 3 C SER A 168 6.377 8.924 -7.435 1.00 2.25 C ATOM 4 O SER A 168 7.260 9.587 -7.980 1.00 32.32 O ATOM 5 CB SER A 168 4.520 8.512 -9.059 1.00 52.02 C ATOM 6 OG SER A 168 3.921 7.247 -8.836 1.00 12.22 O ATOM 0 HA SER A 168 4.305 8.751 -6.935 1.00 11.52 H new ATOM 0 HB2 SER A 168 3.830 9.153 -9.607 1.00 52.02 H new ATOM 0 HB3 SER A 168 5.407 8.393 -9.681 1.00 52.02 H new ATOM 0 HG SER A 168 3.683 6.841 -9.696 1.00 12.22 H new ATOM 12 N HIS A 169 6.634 7.956 -6.560 1.00 42.42 N ATOM 13 CA HIS A 169 8.000 7.610 -6.183 1.00 33.11 C ATOM 14 C HIS A 169 8.452 6.336 -6.891 1.00 42.43 C ATOM 15 O HIS A 169 9.642 6.147 -7.148 1.00 11.22 O ATOM 16 CB HIS A 169 8.104 7.428 -4.669 1.00 52.40 C ATOM 17 CG HIS A 169 7.229 6.336 -4.134 1.00 45.34 C ATOM 18 ND1 HIS A 169 7.568 5.001 -4.202 1.00 54.31 N ATOM 19 CD2 HIS A 169 6.025 6.388 -3.520 1.00 74.32 C ATOM 20 CE1 HIS A 169 6.607 4.278 -3.654 1.00 32.31 C ATOM 21 NE2 HIS A 169 5.659 5.095 -3.231 1.00 43.54 N ATOM 0 H HIS A 169 5.915 7.398 -6.099 1.00 42.42 H new ATOM 0 HA HIS A 169 8.653 8.428 -6.489 1.00 33.11 H new ATOM 0 HB2 HIS A 169 9.140 7.213 -4.408 1.00 52.40 H new ATOM 0 HB3 HIS A 169 7.840 8.366 -4.180 1.00 52.40 H new ATOM 0 HD2 HIS A 169 5.457 7.279 -3.298 1.00 74.32 H new ATOM 0 HE1 HIS A 169 6.598 3.202 -3.567 1.00 32.31 H new ATOM 0 HE2 HIS A 169 4.796 4.812 -2.766 1.00 43.54 H new ATOM 29 N ILE A 170 7.497 5.468 -7.204 1.00 63.21 N ATOM 30 CA ILE A 170 7.798 4.214 -7.884 1.00 21.02 C ATOM 31 C ILE A 170 8.523 3.246 -6.954 1.00 53.22 C ATOM 32 O ILE A 170 7.961 2.235 -6.534 1.00 74.44 O ATOM 33 CB ILE A 170 8.659 4.446 -9.139 1.00 44.21 C ATOM 34 CG1 ILE A 170 8.111 5.621 -9.951 1.00 71.33 C ATOM 35 CG2 ILE A 170 8.709 3.184 -9.988 1.00 41.14 C ATOM 36 CD1 ILE A 170 8.981 6.856 -9.891 1.00 43.01 C ATOM 0 H ILE A 170 6.508 5.609 -6.998 1.00 63.21 H new ATOM 0 HA ILE A 170 6.844 3.780 -8.184 1.00 21.02 H new ATOM 0 HB ILE A 170 9.674 4.689 -8.825 1.00 44.21 H new ATOM 0 HG12 ILE A 170 8.002 5.314 -10.991 1.00 71.33 H new ATOM 0 HG13 ILE A 170 7.115 5.871 -9.586 1.00 71.33 H new ATOM 0 HG21 ILE A 170 9.321 3.364 -10.872 1.00 41.14 H new ATOM 0 HG22 ILE A 170 9.142 2.371 -9.406 1.00 41.14 H new ATOM 0 HG23 ILE A 170 7.699 2.912 -10.296 1.00 41.14 H new ATOM 0 HD11 ILE A 170 8.531 7.648 -10.490 1.00 43.01 H new ATOM 0 HD12 ILE A 170 9.070 7.189 -8.857 1.00 43.01 H new ATOM 0 HD13 ILE A 170 9.971 6.623 -10.283 1.00 43.01 H new ATOM 48 N ARG A 171 9.774 3.563 -6.637 1.00 54.55 N ATOM 49 CA ARG A 171 10.576 2.723 -5.756 1.00 52.25 C ATOM 50 C ARG A 171 11.022 3.500 -4.522 1.00 25.12 C ATOM 51 O ARG A 171 10.852 3.043 -3.392 1.00 64.11 O ATOM 52 CB ARG A 171 11.797 2.185 -6.504 1.00 23.52 C ATOM 53 CG ARG A 171 11.552 0.852 -7.191 1.00 72.21 C ATOM 54 CD ARG A 171 12.857 0.139 -7.508 1.00 44.43 C ATOM 55 NE ARG A 171 12.855 -0.437 -8.850 1.00 53.11 N ATOM 56 CZ ARG A 171 12.114 -1.483 -9.199 1.00 15.10 C ATOM 57 NH1 ARG A 171 11.320 -2.063 -8.310 1.00 23.33 N ATOM 58 NH2 ARG A 171 12.166 -1.949 -10.440 1.00 34.11 N ATOM 0 H ARG A 171 10.254 4.396 -6.977 1.00 54.55 H new ATOM 0 HA ARG A 171 9.959 1.885 -5.432 1.00 52.25 H new ATOM 0 HB2 ARG A 171 12.107 2.917 -7.250 1.00 23.52 H new ATOM 0 HB3 ARG A 171 12.624 2.076 -5.802 1.00 23.52 H new ATOM 0 HG2 ARG A 171 10.937 0.219 -6.551 1.00 72.21 H new ATOM 0 HG3 ARG A 171 10.992 1.014 -8.112 1.00 72.21 H new ATOM 0 HD2 ARG A 171 13.685 0.842 -7.417 1.00 44.43 H new ATOM 0 HD3 ARG A 171 13.026 -0.650 -6.775 1.00 44.43 H new ATOM 0 HE ARG A 171 13.455 -0.013 -9.558 1.00 53.11 H new ATOM 0 HH11 ARG A 171 11.277 -1.706 -7.355 1.00 23.33 H new ATOM 0 HH12 ARG A 171 10.752 -2.866 -8.581 1.00 23.33 H new ATOM 0 HH21 ARG A 171 12.775 -1.504 -11.127 1.00 34.11 H new ATOM 0 HH22 ARG A 171 11.597 -2.752 -10.707 1.00 34.11 H new ATOM 72 N GLY A 172 11.598 4.678 -4.746 1.00 15.13 N ATOM 73 CA GLY A 172 12.061 5.499 -3.643 1.00 65.41 C ATOM 74 C GLY A 172 13.451 6.057 -3.880 1.00 64.22 C ATOM 75 O GLY A 172 14.156 5.620 -4.791 1.00 2.02 O ATOM 0 H GLY A 172 11.752 5.078 -5.672 1.00 15.13 H new ATOM 0 HA2 GLY A 172 11.364 6.322 -3.489 1.00 65.41 H new ATOM 0 HA3 GLY A 172 12.062 4.906 -2.728 1.00 65.41 H new ATOM 79 N LEU A 173 13.846 7.024 -3.060 1.00 51.10 N ATOM 80 CA LEU A 173 15.160 7.645 -3.186 1.00 31.21 C ATOM 81 C LEU A 173 16.076 7.218 -2.044 1.00 12.45 C ATOM 82 O LEU A 173 16.355 7.999 -1.134 1.00 53.51 O ATOM 83 CB LEU A 173 15.027 9.169 -3.206 1.00 73.32 C ATOM 84 CG LEU A 173 14.085 9.774 -2.165 1.00 34.31 C ATOM 85 CD1 LEU A 173 14.775 10.899 -1.410 1.00 71.43 C ATOM 86 CD2 LEU A 173 12.810 10.277 -2.827 1.00 44.53 C ATOM 0 H LEU A 173 13.275 7.395 -2.301 1.00 51.10 H new ATOM 0 HA LEU A 173 15.602 7.313 -4.125 1.00 31.21 H new ATOM 0 HB2 LEU A 173 16.017 9.602 -3.066 1.00 73.32 H new ATOM 0 HB3 LEU A 173 14.684 9.471 -4.196 1.00 73.32 H new ATOM 0 HG LEU A 173 13.817 8.996 -1.451 1.00 34.31 H new ATOM 0 HD11 LEU A 173 14.089 11.317 -0.673 1.00 71.43 H new ATOM 0 HD12 LEU A 173 15.658 10.509 -0.903 1.00 71.43 H new ATOM 0 HD13 LEU A 173 15.074 11.678 -2.111 1.00 71.43 H new ATOM 0 HD21 LEU A 173 12.152 10.704 -2.071 1.00 44.53 H new ATOM 0 HD22 LEU A 173 13.059 11.040 -3.564 1.00 44.53 H new ATOM 0 HD23 LEU A 173 12.305 9.447 -3.321 1.00 44.53 H new ATOM 98 N MET A 174 16.542 5.975 -2.098 1.00 31.50 N ATOM 99 CA MET A 174 17.430 5.447 -1.069 1.00 24.21 C ATOM 100 C MET A 174 18.838 5.241 -1.619 1.00 1.41 C ATOM 101 O MET A 174 19.124 5.699 -2.725 1.00 54.00 O ATOM 102 CB MET A 174 16.885 4.125 -0.524 1.00 64.15 C ATOM 103 CG MET A 174 15.458 4.221 -0.011 1.00 4.41 C ATOM 104 SD MET A 174 14.298 3.255 -0.996 1.00 74.13 S ATOM 105 CE MET A 174 13.549 2.231 0.268 1.00 4.33 C ATOM 0 H MET A 174 16.320 5.315 -2.843 1.00 31.50 H new ATOM 0 HA MET A 174 17.478 6.174 -0.258 1.00 24.21 H new ATOM 0 HB2 MET A 174 16.930 3.371 -1.310 1.00 64.15 H new ATOM 0 HB3 MET A 174 17.530 3.781 0.284 1.00 64.15 H new ATOM 0 HG2 MET A 174 15.424 3.878 1.023 1.00 4.41 H new ATOM 0 HG3 MET A 174 15.146 5.265 -0.010 1.00 4.41 H new ATOM 0 HE1 MET A 174 12.563 1.905 -0.065 1.00 4.33 H new ATOM 0 HE2 MET A 174 14.177 1.359 0.450 1.00 4.33 H new ATOM 0 HE3 MET A 174 13.450 2.805 1.189 1.00 4.33 H new ATOM 115 N CYS A 175 19.677 4.567 -0.846 1.00 73.00 N ATOM 116 CA CYS A 175 21.043 4.312 -1.268 1.00 60.04 C ATOM 117 C CYS A 175 21.068 2.994 -2.045 1.00 4.22 C ATOM 118 O CYS A 175 20.158 2.168 -1.958 1.00 62.10 O ATOM 119 CB CYS A 175 22.008 4.294 -0.081 1.00 71.34 C ATOM 120 SG CYS A 175 23.573 5.127 -0.535 1.00 22.04 S ATOM 0 H CYS A 175 19.436 4.190 0.071 1.00 73.00 H new ATOM 0 HA CYS A 175 21.383 5.120 -1.915 1.00 60.04 H new ATOM 0 HB2 CYS A 175 21.555 4.795 0.775 1.00 71.34 H new ATOM 0 HB3 CYS A 175 22.208 3.266 0.220 1.00 71.34 H new ATOM 125 N LEU A 176 22.138 2.814 -2.811 1.00 75.31 N ATOM 126 CA LEU A 176 22.310 1.607 -3.613 1.00 53.53 C ATOM 127 C LEU A 176 22.502 0.384 -2.723 1.00 2.03 C ATOM 128 O LEU A 176 21.791 -0.611 -2.859 1.00 21.11 O ATOM 129 CB LEU A 176 23.507 1.762 -4.552 1.00 64.14 C ATOM 130 CG LEU A 176 23.198 2.289 -5.954 1.00 72.40 C ATOM 131 CD1 LEU A 176 23.663 3.730 -6.098 1.00 24.20 C ATOM 132 CD2 LEU A 176 23.849 1.407 -7.010 1.00 54.42 C ATOM 0 H LEU A 176 22.899 3.488 -2.894 1.00 75.31 H new ATOM 0 HA LEU A 176 21.407 1.463 -4.206 1.00 53.53 H new ATOM 0 HB2 LEU A 176 24.226 2.434 -4.083 1.00 64.14 H new ATOM 0 HB3 LEU A 176 23.994 0.792 -4.650 1.00 64.14 H new ATOM 0 HG LEU A 176 22.118 2.262 -6.102 1.00 72.40 H new ATOM 0 HD11 LEU A 176 23.435 4.087 -7.102 1.00 24.20 H new ATOM 0 HD12 LEU A 176 23.150 4.353 -5.366 1.00 24.20 H new ATOM 0 HD13 LEU A 176 24.739 3.784 -5.930 1.00 24.20 H new ATOM 0 HD21 LEU A 176 23.619 1.797 -8.002 1.00 54.42 H new ATOM 0 HD22 LEU A 176 24.929 1.402 -6.864 1.00 54.42 H new ATOM 0 HD23 LEU A 176 23.466 0.390 -6.922 1.00 54.42 H new ATOM 144 N GLU A 177 23.466 0.468 -1.811 1.00 22.10 N ATOM 145 CA GLU A 177 23.750 -0.633 -0.897 1.00 71.45 C ATOM 146 C GLU A 177 22.830 -0.581 0.319 1.00 54.50 C ATOM 147 O GLU A 177 22.405 -1.616 0.835 1.00 51.22 O ATOM 148 CB GLU A 177 25.211 -0.588 -0.448 1.00 2.31 C ATOM 149 CG GLU A 177 26.203 -0.594 -1.600 1.00 11.54 C ATOM 150 CD GLU A 177 27.598 -0.180 -1.171 1.00 33.01 C ATOM 151 OE1 GLU A 177 27.888 1.034 -1.192 1.00 45.24 O ATOM 152 OE2 GLU A 177 28.397 -1.070 -0.814 1.00 1.11 O ATOM 0 H GLU A 177 24.063 1.286 -1.685 1.00 22.10 H new ATOM 0 HA GLU A 177 23.570 -1.568 -1.427 1.00 71.45 H new ATOM 0 HB2 GLU A 177 25.370 0.308 0.153 1.00 2.31 H new ATOM 0 HB3 GLU A 177 25.411 -1.444 0.197 1.00 2.31 H new ATOM 0 HG2 GLU A 177 26.242 -1.592 -2.036 1.00 11.54 H new ATOM 0 HG3 GLU A 177 25.852 0.081 -2.381 1.00 11.54 H new ATOM 159 N HIS A 178 22.527 0.631 0.773 1.00 0.13 N ATOM 160 CA HIS A 178 21.660 0.819 1.931 1.00 50.01 C ATOM 161 C HIS A 178 20.203 0.962 1.499 1.00 12.15 C ATOM 162 O HIS A 178 19.722 2.069 1.265 1.00 41.42 O ATOM 163 CB HIS A 178 22.092 2.053 2.724 1.00 11.12 C ATOM 164 CG HIS A 178 23.553 2.069 3.057 1.00 54.15 C ATOM 165 ND1 HIS A 178 24.456 2.906 2.437 1.00 21.21 N ATOM 166 CD2 HIS A 178 24.264 1.346 3.953 1.00 63.41 C ATOM 167 CE1 HIS A 178 25.661 2.695 2.936 1.00 64.32 C ATOM 168 NE2 HIS A 178 25.572 1.753 3.858 1.00 4.53 N ATOM 0 H HIS A 178 22.869 1.497 0.357 1.00 0.13 H new ATOM 0 HA HIS A 178 21.749 -0.061 2.568 1.00 50.01 H new ATOM 0 HB2 HIS A 178 21.849 2.947 2.150 1.00 11.12 H new ATOM 0 HB3 HIS A 178 21.516 2.101 3.648 1.00 11.12 H new ATOM 0 HD2 HIS A 178 23.875 0.590 4.619 1.00 63.41 H new ATOM 0 HE1 HIS A 178 26.565 3.206 2.640 1.00 64.32 H new ATOM 0 HE2 HIS A 178 26.348 1.388 4.409 1.00 4.53 H new ATOM 175 N GLU A 179 19.508 -0.167 1.398 1.00 15.24 N ATOM 176 CA GLU A 179 18.107 -0.166 0.993 1.00 12.12 C ATOM 177 C GLU A 179 17.205 0.236 2.157 1.00 41.22 C ATOM 178 O GLU A 179 16.101 0.743 1.953 1.00 12.41 O ATOM 179 CB GLU A 179 17.702 -1.548 0.474 1.00 20.24 C ATOM 180 CG GLU A 179 17.253 -1.545 -0.977 1.00 34.02 C ATOM 181 CD GLU A 179 15.995 -0.725 -1.196 1.00 63.43 C ATOM 182 OE1 GLU A 179 14.958 -1.057 -0.586 1.00 34.35 O ATOM 183 OE2 GLU A 179 16.049 0.246 -1.978 1.00 14.44 O ATOM 0 H GLU A 179 19.891 -1.092 1.591 1.00 15.24 H new ATOM 0 HA GLU A 179 17.987 0.564 0.193 1.00 12.12 H new ATOM 0 HB2 GLU A 179 18.546 -2.229 0.583 1.00 20.24 H new ATOM 0 HB3 GLU A 179 16.895 -1.938 1.095 1.00 20.24 H new ATOM 0 HG2 GLU A 179 18.054 -1.148 -1.601 1.00 34.02 H new ATOM 0 HG3 GLU A 179 17.075 -2.570 -1.301 1.00 34.02 H new ATOM 190 N ASP A 180 17.682 0.006 3.375 1.00 53.12 N ATOM 191 CA ASP A 180 16.920 0.345 4.571 1.00 74.50 C ATOM 192 C ASP A 180 17.329 1.713 5.107 1.00 54.23 C ATOM 193 O ASP A 180 17.342 1.937 6.316 1.00 14.15 O ATOM 194 CB ASP A 180 17.123 -0.721 5.649 1.00 3.13 C ATOM 195 CG ASP A 180 16.040 -0.687 6.710 1.00 42.55 C ATOM 196 OD1 ASP A 180 15.343 0.345 6.811 1.00 62.31 O ATOM 197 OD2 ASP A 180 15.889 -1.689 7.438 1.00 25.01 O ATOM 0 H ASP A 180 18.593 -0.414 3.560 1.00 53.12 H new ATOM 0 HA ASP A 180 15.865 0.382 4.301 1.00 74.50 H new ATOM 0 HB2 ASP A 180 17.140 -1.706 5.183 1.00 3.13 H new ATOM 0 HB3 ASP A 180 18.095 -0.575 6.121 1.00 3.13 H new ATOM 202 N GLU A 181 17.662 2.623 4.198 1.00 53.35 N ATOM 203 CA GLU A 181 18.072 3.970 4.580 1.00 20.22 C ATOM 204 C GLU A 181 17.512 5.005 3.610 1.00 43.45 C ATOM 205 O GLU A 181 16.820 4.665 2.651 1.00 75.32 O ATOM 206 CB GLU A 181 19.598 4.068 4.622 1.00 23.14 C ATOM 207 CG GLU A 181 20.187 3.807 6.000 1.00 54.23 C ATOM 208 CD GLU A 181 20.922 2.484 6.079 1.00 5.20 C ATOM 209 OE1 GLU A 181 20.268 1.456 6.354 1.00 1.53 O ATOM 210 OE2 GLU A 181 22.152 2.475 5.865 1.00 4.40 O ATOM 0 H GLU A 181 17.656 2.453 3.192 1.00 53.35 H new ATOM 0 HA GLU A 181 17.673 4.176 5.573 1.00 20.22 H new ATOM 0 HB2 GLU A 181 20.019 3.354 3.915 1.00 23.14 H new ATOM 0 HB3 GLU A 181 19.899 5.061 4.289 1.00 23.14 H new ATOM 0 HG2 GLU A 181 20.872 4.615 6.257 1.00 54.23 H new ATOM 0 HG3 GLU A 181 19.388 3.819 6.741 1.00 54.23 H new ATOM 217 N LYS A 182 17.816 6.273 3.867 1.00 10.41 N ATOM 218 CA LYS A 182 17.344 7.362 3.019 1.00 24.33 C ATOM 219 C LYS A 182 18.494 8.284 2.628 1.00 43.12 C ATOM 220 O LYS A 182 19.243 8.757 3.483 1.00 33.40 O ATOM 221 CB LYS A 182 16.257 8.162 3.739 1.00 73.34 C ATOM 222 CG LYS A 182 15.054 8.475 2.866 1.00 55.22 C ATOM 223 CD LYS A 182 14.067 9.384 3.581 1.00 63.42 C ATOM 224 CE LYS A 182 12.815 8.629 3.997 1.00 31.44 C ATOM 225 NZ LYS A 182 12.143 9.269 5.162 1.00 22.43 N ATOM 0 H LYS A 182 18.388 6.572 4.657 1.00 10.41 H new ATOM 0 HA LYS A 182 16.925 6.927 2.111 1.00 24.33 H new ATOM 0 HB2 LYS A 182 15.925 7.603 4.614 1.00 73.34 H new ATOM 0 HB3 LYS A 182 16.685 9.096 4.102 1.00 73.34 H new ATOM 0 HG2 LYS A 182 15.387 8.952 1.944 1.00 55.22 H new ATOM 0 HG3 LYS A 182 14.557 7.547 2.584 1.00 55.22 H new ATOM 0 HD2 LYS A 182 14.542 9.817 4.462 1.00 63.42 H new ATOM 0 HD3 LYS A 182 13.793 10.212 2.927 1.00 63.42 H new ATOM 0 HE2 LYS A 182 12.122 8.585 3.157 1.00 31.44 H new ATOM 0 HE3 LYS A 182 13.077 7.601 4.248 1.00 31.44 H new ATOM 0 HZ1 LYS A 182 11.294 8.725 5.415 1.00 22.43 H new ATOM 0 HZ2 LYS A 182 12.796 9.289 5.971 1.00 22.43 H new ATOM 0 HZ3 LYS A 182 11.870 10.241 4.914 1.00 22.43 H new ATOM 239 N VAL A 183 18.627 8.537 1.329 1.00 3.42 N ATOM 240 CA VAL A 183 19.684 9.406 0.825 1.00 41.34 C ATOM 241 C VAL A 183 19.710 10.733 1.575 1.00 33.13 C ATOM 242 O VAL A 183 18.783 11.055 2.319 1.00 2.21 O ATOM 243 CB VAL A 183 19.512 9.683 -0.681 1.00 4.54 C ATOM 244 CG1 VAL A 183 19.724 8.411 -1.485 1.00 63.12 C ATOM 245 CG2 VAL A 183 18.140 10.278 -0.959 1.00 10.43 C ATOM 0 H VAL A 183 18.017 8.153 0.608 1.00 3.42 H new ATOM 0 HA VAL A 183 20.627 8.883 0.986 1.00 41.34 H new ATOM 0 HB VAL A 183 20.266 10.408 -0.989 1.00 4.54 H new ATOM 0 HG11 VAL A 183 19.599 8.626 -2.546 1.00 63.12 H new ATOM 0 HG12 VAL A 183 20.731 8.032 -1.308 1.00 63.12 H new ATOM 0 HG13 VAL A 183 18.995 7.661 -1.178 1.00 63.12 H new ATOM 0 HG21 VAL A 183 18.035 10.468 -2.027 1.00 10.43 H new ATOM 0 HG22 VAL A 183 17.368 9.579 -0.637 1.00 10.43 H new ATOM 0 HG23 VAL A 183 18.032 11.215 -0.412 1.00 10.43 H new ATOM 255 N ASN A 184 20.777 11.501 1.375 1.00 34.51 N ATOM 256 CA ASN A 184 20.922 12.793 2.032 1.00 42.30 C ATOM 257 C ASN A 184 21.220 13.890 1.015 1.00 15.50 C ATOM 258 O ASN A 184 20.724 15.011 1.131 1.00 12.25 O ATOM 259 CB ASN A 184 22.039 12.735 3.077 1.00 34.13 C ATOM 260 CG ASN A 184 22.006 13.917 4.026 1.00 15.01 C ATOM 261 OD1 ASN A 184 20.942 14.466 4.314 1.00 52.23 O ATOM 262 ND2 ASN A 184 23.173 14.315 4.517 1.00 63.42 N ATOM 0 H ASN A 184 21.553 11.250 0.763 1.00 34.51 H new ATOM 0 HA ASN A 184 19.980 13.028 2.528 1.00 42.30 H new ATOM 0 HB2 ASN A 184 21.950 11.811 3.649 1.00 34.13 H new ATOM 0 HB3 ASN A 184 23.004 12.705 2.572 1.00 34.13 H new ATOM 0 HD21 ASN A 184 23.213 15.105 5.160 1.00 63.42 H new ATOM 0 HD22 ASN A 184 24.030 13.830 4.251 1.00 63.42 H new ATOM 269 N MET A 185 22.032 13.559 0.017 1.00 42.43 N ATOM 270 CA MET A 185 22.395 14.517 -1.023 1.00 30.14 C ATOM 271 C MET A 185 23.006 13.806 -2.226 1.00 62.34 C ATOM 272 O MET A 185 22.976 12.578 -2.316 1.00 40.13 O ATOM 273 CB MET A 185 23.379 15.551 -0.473 1.00 34.21 C ATOM 274 CG MET A 185 22.916 16.987 -0.656 1.00 50.31 C ATOM 275 SD MET A 185 22.274 17.710 0.866 1.00 24.02 S ATOM 276 CE MET A 185 23.769 17.814 1.847 1.00 2.51 C ATOM 0 H MET A 185 22.451 12.636 -0.095 1.00 42.43 H new ATOM 0 HA MET A 185 21.487 15.027 -1.346 1.00 30.14 H new ATOM 0 HB2 MET A 185 23.537 15.361 0.589 1.00 34.21 H new ATOM 0 HB3 MET A 185 24.342 15.423 -0.967 1.00 34.21 H new ATOM 0 HG2 MET A 185 23.749 17.590 -1.017 1.00 50.31 H new ATOM 0 HG3 MET A 185 22.143 17.020 -1.424 1.00 50.31 H new ATOM 0 HE1 MET A 185 23.509 18.021 2.885 1.00 2.51 H new ATOM 0 HE2 MET A 185 24.308 16.869 1.789 1.00 2.51 H new ATOM 0 HE3 MET A 185 24.400 18.616 1.464 1.00 2.51 H new ATOM 286 N TYR A 186 23.560 14.586 -3.149 1.00 22.40 N ATOM 287 CA TYR A 186 24.177 14.031 -4.348 1.00 32.12 C ATOM 288 C TYR A 186 25.651 14.412 -4.429 1.00 23.24 C ATOM 289 O TYR A 186 25.975 15.595 -4.333 1.00 70.00 O ATOM 290 CB TYR A 186 23.442 14.520 -5.598 1.00 3.54 C ATOM 291 CG TYR A 186 23.913 13.860 -6.873 1.00 51.33 C ATOM 292 CD1 TYR A 186 25.007 14.354 -7.572 1.00 25.02 C ATOM 293 CD2 TYR A 186 23.263 12.741 -7.381 1.00 11.32 C ATOM 294 CE1 TYR A 186 25.440 13.755 -8.739 1.00 72.15 C ATOM 295 CE2 TYR A 186 23.689 12.135 -8.546 1.00 22.30 C ATOM 296 CZ TYR A 186 24.778 12.645 -9.222 1.00 14.11 C ATOM 297 OH TYR A 186 25.206 12.045 -10.383 1.00 21.41 O ATOM 0 H TYR A 186 23.594 15.604 -3.089 1.00 22.40 H new ATOM 0 HA TYR A 186 24.105 12.945 -4.293 1.00 32.12 H new ATOM 0 HB2 TYR A 186 22.374 14.337 -5.477 1.00 3.54 H new ATOM 0 HB3 TYR A 186 23.572 15.599 -5.687 1.00 3.54 H new ATOM 0 HD1 TYR A 186 25.528 15.222 -7.196 1.00 25.02 H new ATOM 0 HD2 TYR A 186 22.410 12.339 -6.855 1.00 11.32 H new ATOM 0 HE1 TYR A 186 26.292 14.153 -9.270 1.00 72.15 H new ATOM 0 HE2 TYR A 186 23.172 11.266 -8.926 1.00 22.30 H new ATOM 0 HH TYR A 186 24.633 11.276 -10.584 1.00 21.41 H new ATOM 307 N CYS A 187 26.504 13.413 -4.602 1.00 41.33 N ATOM 308 CA CYS A 187 27.934 13.656 -4.694 1.00 53.34 C ATOM 309 C CYS A 187 28.252 14.114 -6.119 1.00 15.32 C ATOM 310 O CYS A 187 28.217 13.342 -7.077 1.00 33.13 O ATOM 311 CB CYS A 187 28.744 12.421 -4.298 1.00 11.42 C ATOM 312 SG CYS A 187 29.376 12.609 -2.591 1.00 41.31 S ATOM 0 H CYS A 187 26.232 12.433 -4.681 1.00 41.33 H new ATOM 0 HA CYS A 187 28.219 14.437 -3.990 1.00 53.34 H new ATOM 0 HB2 CYS A 187 28.121 11.529 -4.368 1.00 11.42 H new ATOM 0 HB3 CYS A 187 29.575 12.284 -4.989 1.00 11.42 H new ATOM 317 N VAL A 188 28.565 15.401 -6.238 1.00 63.34 N ATOM 318 CA VAL A 188 28.896 15.990 -7.530 1.00 43.23 C ATOM 319 C VAL A 188 30.283 15.559 -7.993 1.00 3.22 C ATOM 320 O VAL A 188 30.557 15.486 -9.191 1.00 55.23 O ATOM 321 CB VAL A 188 28.839 17.528 -7.477 1.00 5.22 C ATOM 322 CG1 VAL A 188 29.134 18.122 -8.846 1.00 33.21 C ATOM 323 CG2 VAL A 188 27.485 17.993 -6.964 1.00 41.51 C ATOM 0 H VAL A 188 28.596 16.055 -5.456 1.00 63.34 H new ATOM 0 HA VAL A 188 28.152 15.630 -8.241 1.00 43.23 H new ATOM 0 HB VAL A 188 29.604 17.879 -6.784 1.00 5.22 H new ATOM 0 HG11 VAL A 188 29.089 19.210 -8.788 1.00 33.21 H new ATOM 0 HG12 VAL A 188 30.129 17.817 -9.168 1.00 33.21 H new ATOM 0 HG13 VAL A 188 28.395 17.766 -9.564 1.00 33.21 H new ATOM 0 HG21 VAL A 188 27.462 19.082 -6.933 1.00 41.51 H new ATOM 0 HG22 VAL A 188 26.700 17.632 -7.629 1.00 41.51 H new ATOM 0 HG23 VAL A 188 27.321 17.598 -5.962 1.00 41.51 H new ATOM 333 N THR A 189 31.159 15.274 -7.033 1.00 73.11 N ATOM 334 CA THR A 189 32.519 14.852 -7.341 1.00 61.01 C ATOM 335 C THR A 189 32.526 13.546 -8.127 1.00 13.22 C ATOM 336 O THR A 189 33.095 13.469 -9.216 1.00 34.43 O ATOM 337 CB THR A 189 33.354 14.671 -6.059 1.00 61.10 C ATOM 338 OG1 THR A 189 32.494 14.633 -4.915 1.00 11.24 O ATOM 339 CG2 THR A 189 34.362 15.799 -5.906 1.00 11.22 C ATOM 0 H THR A 189 30.950 15.328 -6.036 1.00 73.11 H new ATOM 0 HA THR A 189 32.964 15.640 -7.949 1.00 61.01 H new ATOM 0 HB THR A 189 33.897 13.729 -6.135 1.00 61.10 H new ATOM 0 HG1 THR A 189 32.825 15.257 -4.236 1.00 11.24 H new ATOM 0 HG21 THR A 189 34.940 15.649 -4.994 1.00 11.22 H new ATOM 0 HG22 THR A 189 35.034 15.805 -6.764 1.00 11.22 H new ATOM 0 HG23 THR A 189 33.836 16.752 -5.850 1.00 11.22 H new ATOM 347 N ASP A 190 31.889 12.522 -7.569 1.00 43.31 N ATOM 348 CA ASP A 190 31.821 11.219 -8.219 1.00 35.41 C ATOM 349 C ASP A 190 30.585 11.120 -9.109 1.00 4.22 C ATOM 350 O ASP A 190 30.451 10.187 -9.902 1.00 12.32 O ATOM 351 CB ASP A 190 31.800 10.103 -7.173 1.00 2.21 C ATOM 352 CG ASP A 190 32.572 10.470 -5.921 1.00 35.34 C ATOM 353 OD1 ASP A 190 33.794 10.216 -5.881 1.00 30.54 O ATOM 354 OD2 ASP A 190 31.954 11.011 -4.980 1.00 52.51 O ATOM 0 H ASP A 190 31.413 12.570 -6.668 1.00 43.31 H new ATOM 0 HA ASP A 190 32.708 11.105 -8.843 1.00 35.41 H new ATOM 0 HB2 ASP A 190 30.767 9.878 -6.907 1.00 2.21 H new ATOM 0 HB3 ASP A 190 32.223 9.196 -7.605 1.00 2.21 H new ATOM 359 N ASP A 191 29.685 12.088 -8.972 1.00 22.13 N ATOM 360 CA ASP A 191 28.461 12.111 -9.763 1.00 75.43 C ATOM 361 C ASP A 191 27.586 10.901 -9.447 1.00 62.41 C ATOM 362 O ASP A 191 27.210 10.144 -10.342 1.00 2.44 O ATOM 363 CB ASP A 191 28.793 12.139 -11.256 1.00 22.00 C ATOM 364 CG ASP A 191 27.748 12.878 -12.068 1.00 63.31 C ATOM 365 OD1 ASP A 191 27.390 14.012 -11.684 1.00 71.52 O ATOM 366 OD2 ASP A 191 27.289 12.323 -13.088 1.00 55.52 O ATOM 0 H ASP A 191 29.781 12.867 -8.320 1.00 22.13 H new ATOM 0 HA ASP A 191 27.908 13.014 -9.504 1.00 75.43 H new ATOM 0 HB2 ASP A 191 29.764 12.614 -11.400 1.00 22.00 H new ATOM 0 HB3 ASP A 191 28.880 11.117 -11.625 1.00 22.00 H new ATOM 371 N GLN A 192 27.268 10.726 -8.168 1.00 63.34 N ATOM 372 CA GLN A 192 26.440 9.607 -7.735 1.00 21.14 C ATOM 373 C GLN A 192 25.771 9.911 -6.399 1.00 34.34 C ATOM 374 O GLN A 192 26.439 10.243 -5.418 1.00 72.52 O ATOM 375 CB GLN A 192 27.283 8.335 -7.618 1.00 60.04 C ATOM 376 CG GLN A 192 26.465 7.056 -7.679 1.00 70.31 C ATOM 377 CD GLN A 192 27.311 5.837 -7.991 1.00 63.52 C ATOM 378 OE1 GLN A 192 27.572 5.007 -7.118 1.00 40.31 O ATOM 379 NE2 GLN A 192 27.745 5.720 -9.241 1.00 13.52 N ATOM 0 H GLN A 192 27.571 11.344 -7.415 1.00 63.34 H new ATOM 0 HA GLN A 192 25.663 9.452 -8.484 1.00 21.14 H new ATOM 0 HB2 GLN A 192 28.021 8.323 -8.420 1.00 60.04 H new ATOM 0 HB3 GLN A 192 27.834 8.360 -6.678 1.00 60.04 H new ATOM 0 HG2 GLN A 192 25.958 6.907 -6.726 1.00 70.31 H new ATOM 0 HG3 GLN A 192 25.691 7.160 -8.439 1.00 70.31 H new ATOM 0 HE21 GLN A 192 27.505 6.430 -9.933 1.00 13.52 H new ATOM 0 HE22 GLN A 192 28.318 4.920 -9.509 1.00 13.52 H new ATOM 388 N LEU A 193 24.448 9.796 -6.365 1.00 60.15 N ATOM 389 CA LEU A 193 23.686 10.060 -5.148 1.00 62.24 C ATOM 390 C LEU A 193 24.235 9.251 -3.977 1.00 65.35 C ATOM 391 O LEU A 193 24.751 8.147 -4.159 1.00 43.42 O ATOM 392 CB LEU A 193 22.209 9.726 -5.366 1.00 22.04 C ATOM 393 CG LEU A 193 21.211 10.811 -4.960 1.00 54.15 C ATOM 394 CD1 LEU A 193 19.982 10.766 -5.855 1.00 43.31 C ATOM 395 CD2 LEU A 193 20.815 10.652 -3.499 1.00 52.24 C ATOM 0 H LEU A 193 23.880 9.522 -7.166 1.00 60.15 H new ATOM 0 HA LEU A 193 23.781 11.120 -4.910 1.00 62.24 H new ATOM 0 HB2 LEU A 193 22.060 9.499 -6.422 1.00 22.04 H new ATOM 0 HB3 LEU A 193 21.976 8.818 -4.809 1.00 22.04 H new ATOM 0 HG LEU A 193 21.690 11.783 -5.082 1.00 54.15 H new ATOM 0 HD11 LEU A 193 19.282 11.545 -5.552 1.00 43.31 H new ATOM 0 HD12 LEU A 193 20.280 10.929 -6.891 1.00 43.31 H new ATOM 0 HD13 LEU A 193 19.502 9.792 -5.765 1.00 43.31 H new ATOM 0 HD21 LEU A 193 20.104 11.433 -3.228 1.00 52.24 H new ATOM 0 HD22 LEU A 193 20.355 9.675 -3.351 1.00 52.24 H new ATOM 0 HD23 LEU A 193 21.702 10.734 -2.871 1.00 52.24 H new ATOM 407 N ILE A 194 24.119 9.806 -2.776 1.00 2.44 N ATOM 408 CA ILE A 194 24.601 9.135 -1.575 1.00 44.41 C ATOM 409 C ILE A 194 23.730 9.472 -0.370 1.00 33.21 C ATOM 410 O ILE A 194 22.767 10.225 -0.514 1.00 21.21 O ATOM 411 CB ILE A 194 26.060 9.520 -1.263 1.00 1.25 C ATOM 412 CG1 ILE A 194 26.203 11.040 -1.180 1.00 51.50 C ATOM 413 CG2 ILE A 194 26.995 8.951 -2.319 1.00 24.12 C ATOM 414 CD1 ILE A 194 26.596 11.537 0.193 1.00 4.31 C ATOM 0 H ILE A 194 23.695 10.719 -2.608 1.00 2.44 H new ATOM 0 HA ILE A 194 24.549 8.064 -1.769 1.00 44.41 H new ATOM 0 HB ILE A 194 26.334 9.096 -0.297 1.00 1.25 H new ATOM 0 HG12 ILE A 194 26.951 11.366 -1.903 1.00 51.50 H new ATOM 0 HG13 ILE A 194 25.258 11.502 -1.468 1.00 51.50 H new ATOM 0 HG21 ILE A 194 28.022 9.231 -2.085 1.00 24.12 H new ATOM 0 HG22 ILE A 194 26.910 7.864 -2.333 1.00 24.12 H new ATOM 0 HG23 ILE A 194 26.724 9.349 -3.297 1.00 24.12 H new ATOM 0 HD11 ILE A 194 26.679 12.624 0.177 1.00 4.31 H new ATOM 0 HD12 ILE A 194 25.837 11.242 0.918 1.00 4.31 H new ATOM 0 HD13 ILE A 194 27.556 11.104 0.476 1.00 4.31 H new ATOM 426 N CYS A 195 24.081 8.915 0.780 1.00 61.54 N ATOM 427 CA CYS A 195 23.325 9.164 1.994 1.00 33.33 C ATOM 428 C CYS A 195 24.297 9.640 3.076 1.00 33.44 C ATOM 429 O CYS A 195 25.488 9.837 2.841 1.00 31.12 O ATOM 430 CB CYS A 195 22.540 7.927 2.436 1.00 44.40 C ATOM 431 SG CYS A 195 23.693 6.622 2.999 1.00 11.13 S ATOM 0 H CYS A 195 24.880 8.292 0.896 1.00 61.54 H new ATOM 0 HA CYS A 195 22.581 9.938 1.809 1.00 33.33 H new ATOM 0 HB2 CYS A 195 21.854 8.190 3.241 1.00 44.40 H new ATOM 0 HB3 CYS A 195 21.934 7.556 1.609 1.00 44.40 H new ATOM 436 N ALA A 196 23.756 9.822 4.276 1.00 13.43 N ATOM 437 CA ALA A 196 24.551 10.270 5.413 1.00 53.54 C ATOM 438 C ALA A 196 25.481 9.166 5.902 1.00 43.30 C ATOM 439 O ALA A 196 26.598 9.433 6.348 1.00 41.20 O ATOM 440 CB ALA A 196 23.642 10.737 6.541 1.00 24.52 C ATOM 0 H ALA A 196 22.770 9.666 4.486 1.00 13.43 H new ATOM 0 HA ALA A 196 25.167 11.108 5.087 1.00 53.54 H new ATOM 0 HB1 ALA A 196 24.249 11.069 7.384 1.00 24.52 H new ATOM 0 HB2 ALA A 196 23.024 11.564 6.191 1.00 24.52 H new ATOM 0 HB3 ALA A 196 23.002 9.913 6.857 1.00 24.52 H new ATOM 446 N LEU A 197 25.015 7.925 5.816 1.00 22.33 N ATOM 447 CA LEU A 197 25.805 6.779 6.250 1.00 64.12 C ATOM 448 C LEU A 197 27.052 6.617 5.385 1.00 52.30 C ATOM 449 O LEU A 197 28.027 6.021 5.839 1.00 11.41 O ATOM 450 CB LEU A 197 24.964 5.503 6.195 1.00 61.52 C ATOM 451 CG LEU A 197 25.030 4.601 7.427 1.00 3.24 C ATOM 452 CD1 LEU A 197 23.668 4.514 8.099 1.00 24.54 C ATOM 453 CD2 LEU A 197 25.529 3.214 7.047 1.00 21.34 C ATOM 0 H LEU A 197 24.093 7.687 5.449 1.00 22.33 H new ATOM 0 HA LEU A 197 26.119 6.956 7.279 1.00 64.12 H new ATOM 0 HB2 LEU A 197 23.924 5.784 6.031 1.00 61.52 H new ATOM 0 HB3 LEU A 197 25.278 4.922 5.327 1.00 61.52 H new ATOM 0 HG LEU A 197 25.734 5.037 8.135 1.00 3.24 H new ATOM 0 HD11 LEU A 197 23.735 3.868 8.974 1.00 24.54 H new ATOM 0 HD12 LEU A 197 23.350 5.510 8.407 1.00 24.54 H new ATOM 0 HD13 LEU A 197 22.942 4.102 7.398 1.00 24.54 H new ATOM 0 HD21 LEU A 197 25.570 2.586 7.937 1.00 21.34 H new ATOM 0 HD22 LEU A 197 24.850 2.770 6.319 1.00 21.34 H new ATOM 0 HD23 LEU A 197 26.526 3.292 6.612 1.00 21.34 H new ATOM 465 N CYS A 198 26.993 7.146 4.172 1.00 2.43 N ATOM 466 CA CYS A 198 28.122 7.056 3.261 1.00 54.23 C ATOM 467 C CYS A 198 29.128 8.149 3.632 1.00 35.31 C ATOM 468 O CYS A 198 30.343 7.974 3.550 1.00 61.11 O ATOM 469 CB CYS A 198 27.680 7.160 1.800 1.00 73.41 C ATOM 470 SG CYS A 198 26.927 5.581 1.261 1.00 51.34 S ATOM 0 H CYS A 198 26.182 7.638 3.799 1.00 2.43 H new ATOM 0 HA CYS A 198 28.595 6.079 3.360 1.00 54.23 H new ATOM 0 HB2 CYS A 198 26.963 7.973 1.685 1.00 73.41 H new ATOM 0 HB3 CYS A 198 28.536 7.399 1.169 1.00 73.41 H new ATOM 475 N LYS A 199 28.588 9.291 4.044 1.00 22.54 N ATOM 476 CA LYS A 199 29.411 10.428 4.436 1.00 2.41 C ATOM 477 C LYS A 199 30.006 10.217 5.825 1.00 11.14 C ATOM 478 O LYS A 199 30.934 10.921 6.228 1.00 35.11 O ATOM 479 CB LYS A 199 28.583 11.715 4.415 1.00 63.01 C ATOM 480 CG LYS A 199 27.897 11.975 3.084 1.00 32.34 C ATOM 481 CD LYS A 199 26.745 12.954 3.233 1.00 13.22 C ATOM 482 CE LYS A 199 27.140 14.351 2.779 1.00 51.33 C ATOM 483 NZ LYS A 199 26.734 15.390 3.766 1.00 65.44 N ATOM 0 H LYS A 199 27.583 9.453 4.115 1.00 22.54 H new ATOM 0 HA LYS A 199 30.228 10.517 3.720 1.00 2.41 H new ATOM 0 HB2 LYS A 199 27.828 11.664 5.200 1.00 63.01 H new ATOM 0 HB3 LYS A 199 29.232 12.559 4.651 1.00 63.01 H new ATOM 0 HG2 LYS A 199 28.621 12.370 2.371 1.00 32.34 H new ATOM 0 HG3 LYS A 199 27.526 11.035 2.675 1.00 32.34 H new ATOM 0 HD2 LYS A 199 25.893 12.607 2.648 1.00 13.22 H new ATOM 0 HD3 LYS A 199 26.425 12.985 4.274 1.00 13.22 H new ATOM 0 HE2 LYS A 199 28.219 14.393 2.630 1.00 51.33 H new ATOM 0 HE3 LYS A 199 26.677 14.564 1.816 1.00 51.33 H new ATOM 0 HZ1 LYS A 199 27.021 16.328 3.420 1.00 65.44 H new ATOM 0 HZ2 LYS A 199 25.702 15.367 3.889 1.00 65.44 H new ATOM 0 HZ3 LYS A 199 27.196 15.201 4.679 1.00 65.44 H new ATOM 497 N LEU A 200 29.468 9.245 6.552 1.00 31.13 N ATOM 498 CA LEU A 200 29.946 8.939 7.896 1.00 3.44 C ATOM 499 C LEU A 200 30.775 7.659 7.900 1.00 34.23 C ATOM 500 O LEU A 200 31.843 7.600 8.510 1.00 11.11 O ATOM 501 CB LEU A 200 28.766 8.801 8.860 1.00 25.54 C ATOM 502 CG LEU A 200 28.911 9.515 10.204 1.00 23.32 C ATOM 503 CD1 LEU A 200 28.729 11.014 10.035 1.00 53.45 C ATOM 504 CD2 LEU A 200 27.910 8.964 11.210 1.00 31.14 C ATOM 0 H LEU A 200 28.700 8.654 6.234 1.00 31.13 H new ATOM 0 HA LEU A 200 30.581 9.762 8.226 1.00 3.44 H new ATOM 0 HB2 LEU A 200 27.872 9.179 8.365 1.00 25.54 H new ATOM 0 HB3 LEU A 200 28.600 7.741 9.050 1.00 25.54 H new ATOM 0 HG LEU A 200 29.916 9.333 10.584 1.00 23.32 H new ATOM 0 HD11 LEU A 200 28.836 11.505 11.002 1.00 53.45 H new ATOM 0 HD12 LEU A 200 29.484 11.397 9.348 1.00 53.45 H new ATOM 0 HD13 LEU A 200 27.736 11.217 9.633 1.00 53.45 H new ATOM 0 HD21 LEU A 200 28.027 9.483 12.161 1.00 31.14 H new ATOM 0 HD22 LEU A 200 26.897 9.115 10.836 1.00 31.14 H new ATOM 0 HD23 LEU A 200 28.088 7.898 11.354 1.00 31.14 H new ATOM 516 N VAL A 201 30.276 6.634 7.216 1.00 40.44 N ATOM 517 CA VAL A 201 30.971 5.355 7.138 1.00 44.43 C ATOM 518 C VAL A 201 31.927 5.321 5.950 1.00 3.41 C ATOM 519 O VAL A 201 33.058 4.851 6.062 1.00 35.34 O ATOM 520 CB VAL A 201 29.980 4.184 7.018 1.00 71.42 C ATOM 521 CG1 VAL A 201 30.718 2.853 7.046 1.00 14.41 C ATOM 522 CG2 VAL A 201 28.941 4.249 8.127 1.00 2.42 C ATOM 0 H VAL A 201 29.392 6.665 6.708 1.00 40.44 H new ATOM 0 HA VAL A 201 31.539 5.247 8.062 1.00 44.43 H new ATOM 0 HB VAL A 201 29.464 4.266 6.062 1.00 71.42 H new ATOM 0 HG11 VAL A 201 30.000 2.037 6.960 1.00 14.41 H new ATOM 0 HG12 VAL A 201 31.420 2.808 6.213 1.00 14.41 H new ATOM 0 HG13 VAL A 201 31.263 2.759 7.985 1.00 14.41 H new ATOM 0 HG21 VAL A 201 28.249 3.413 8.026 1.00 2.42 H new ATOM 0 HG22 VAL A 201 29.438 4.194 9.095 1.00 2.42 H new ATOM 0 HG23 VAL A 201 28.390 5.187 8.055 1.00 2.42 H new ATOM 532 N GLY A 202 31.464 5.825 4.810 1.00 70.02 N ATOM 533 CA GLY A 202 32.290 5.843 3.617 1.00 50.04 C ATOM 534 C GLY A 202 33.352 6.922 3.663 1.00 4.34 C ATOM 535 O GLY A 202 33.931 7.189 4.717 1.00 22.44 O ATOM 0 H GLY A 202 30.532 6.221 4.692 1.00 70.02 H new ATOM 0 HA2 GLY A 202 32.769 4.871 3.496 1.00 50.04 H new ATOM 0 HA3 GLY A 202 31.657 5.998 2.743 1.00 50.04 H new ATOM 539 N ARG A 203 33.613 7.544 2.518 1.00 13.52 N ATOM 540 CA ARG A 203 34.617 8.599 2.433 1.00 74.55 C ATOM 541 C ARG A 203 34.073 9.806 1.673 1.00 73.10 C ATOM 542 O ARG A 203 34.834 10.587 1.101 1.00 62.41 O ATOM 543 CB ARG A 203 35.879 8.076 1.744 1.00 12.00 C ATOM 544 CG ARG A 203 36.537 6.919 2.478 1.00 12.14 C ATOM 545 CD ARG A 203 37.385 6.075 1.539 1.00 31.15 C ATOM 546 NE ARG A 203 38.814 6.289 1.752 1.00 0.42 N ATOM 547 CZ ARG A 203 39.482 5.812 2.797 1.00 50.52 C ATOM 548 NH1 ARG A 203 38.853 5.099 3.721 1.00 73.34 N ATOM 549 NH2 ARG A 203 40.781 6.050 2.921 1.00 63.15 N ATOM 0 H ARG A 203 33.144 7.336 1.637 1.00 13.52 H new ATOM 0 HA ARG A 203 34.867 8.912 3.447 1.00 74.55 H new ATOM 0 HB2 ARG A 203 35.625 7.757 0.733 1.00 12.00 H new ATOM 0 HB3 ARG A 203 36.596 8.891 1.650 1.00 12.00 H new ATOM 0 HG2 ARG A 203 37.160 7.305 3.285 1.00 12.14 H new ATOM 0 HG3 ARG A 203 35.771 6.295 2.938 1.00 12.14 H new ATOM 0 HD2 ARG A 203 37.150 5.021 1.687 1.00 31.15 H new ATOM 0 HD3 ARG A 203 37.132 6.316 0.507 1.00 31.15 H new ATOM 0 HE ARG A 203 39.328 6.835 1.060 1.00 0.42 H new ATOM 0 HH11 ARG A 203 37.854 4.915 3.631 1.00 73.34 H new ATOM 0 HH12 ARG A 203 39.368 4.734 4.522 1.00 73.34 H new ATOM 0 HH21 ARG A 203 41.269 6.600 2.214 1.00 63.15 H new ATOM 0 HH22 ARG A 203 41.292 5.683 3.724 1.00 63.15 H new ATOM 563 N HIS A 204 32.752 9.952 1.672 1.00 40.22 N ATOM 564 CA HIS A 204 32.106 11.064 0.982 1.00 41.51 C ATOM 565 C HIS A 204 31.867 12.230 1.937 1.00 74.03 C ATOM 566 O HIS A 204 30.817 12.872 1.896 1.00 34.33 O ATOM 567 CB HIS A 204 30.782 10.611 0.368 1.00 33.44 C ATOM 568 CG HIS A 204 30.890 9.344 -0.423 1.00 42.12 C ATOM 569 ND1 HIS A 204 31.190 9.321 -1.768 1.00 43.23 N ATOM 570 CD2 HIS A 204 30.739 8.051 -0.051 1.00 13.41 C ATOM 571 CE1 HIS A 204 31.217 8.069 -2.190 1.00 14.23 C ATOM 572 NE2 HIS A 204 30.946 7.279 -1.167 1.00 3.44 N ATOM 0 H HIS A 204 32.108 9.315 2.141 1.00 40.22 H new ATOM 0 HA HIS A 204 32.770 11.400 0.185 1.00 41.51 H new ATOM 0 HB2 HIS A 204 30.051 10.471 1.164 1.00 33.44 H new ATOM 0 HB3 HIS A 204 30.402 11.402 -0.279 1.00 33.44 H new ATOM 0 HD2 HIS A 204 30.500 7.693 0.940 1.00 13.41 H new ATOM 0 HE1 HIS A 204 31.425 7.747 -3.200 1.00 14.23 H new ATOM 0 HE2 HIS A 204 30.898 6.261 -1.201 1.00 3.44 H new ATOM 579 N ARG A 205 32.846 12.498 2.795 1.00 71.25 N ATOM 580 CA ARG A 205 32.739 13.584 3.760 1.00 22.11 C ATOM 581 C ARG A 205 33.260 14.891 3.168 1.00 21.42 C ATOM 582 O ARG A 205 32.686 15.957 3.391 1.00 42.51 O ATOM 583 CB ARG A 205 33.518 13.243 5.032 1.00 23.10 C ATOM 584 CG ARG A 205 35.001 13.011 4.795 1.00 63.42 C ATOM 585 CD ARG A 205 35.543 11.907 5.690 1.00 51.32 C ATOM 586 NE ARG A 205 36.985 11.739 5.539 1.00 2.33 N ATOM 587 CZ ARG A 205 37.879 12.591 6.029 1.00 63.01 C ATOM 588 NH1 ARG A 205 37.482 13.664 6.697 1.00 14.24 N ATOM 589 NH2 ARG A 205 39.176 12.369 5.851 1.00 62.34 N ATOM 0 H ARG A 205 33.722 11.978 2.841 1.00 71.25 H new ATOM 0 HA ARG A 205 31.686 13.712 4.010 1.00 22.11 H new ATOM 0 HB2 ARG A 205 33.396 14.053 5.751 1.00 23.10 H new ATOM 0 HB3 ARG A 205 33.087 12.349 5.483 1.00 23.10 H new ATOM 0 HG2 ARG A 205 35.167 12.748 3.750 1.00 63.42 H new ATOM 0 HG3 ARG A 205 35.549 13.934 4.982 1.00 63.42 H new ATOM 0 HD2 ARG A 205 35.312 12.137 6.730 1.00 51.32 H new ATOM 0 HD3 ARG A 205 35.042 10.969 5.452 1.00 51.32 H new ATOM 0 HE ARG A 205 37.325 10.923 5.030 1.00 2.33 H new ATOM 0 HH11 ARG A 205 36.487 13.838 6.837 1.00 14.24 H new ATOM 0 HH12 ARG A 205 38.172 14.316 7.072 1.00 14.24 H new ATOM 0 HH21 ARG A 205 39.486 11.544 5.338 1.00 62.34 H new ATOM 0 HH22 ARG A 205 39.862 13.024 6.227 1.00 62.34 H new ATOM 603 N ASP A 206 34.350 14.800 2.414 1.00 30.42 N ATOM 604 CA ASP A 206 34.948 15.974 1.789 1.00 35.44 C ATOM 605 C ASP A 206 34.444 16.144 0.359 1.00 32.33 C ATOM 606 O ASP A 206 34.885 17.038 -0.363 1.00 53.41 O ATOM 607 CB ASP A 206 36.473 15.861 1.795 1.00 10.14 C ATOM 608 CG ASP A 206 36.983 14.853 0.785 1.00 73.10 C ATOM 609 OD1 ASP A 206 36.948 15.158 -0.426 1.00 20.21 O ATOM 610 OD2 ASP A 206 37.416 13.759 1.203 1.00 14.35 O ATOM 0 H ASP A 206 34.838 13.925 2.221 1.00 30.42 H new ATOM 0 HA ASP A 206 34.655 16.851 2.366 1.00 35.44 H new ATOM 0 HB2 ASP A 206 36.908 16.837 1.581 1.00 10.14 H new ATOM 0 HB3 ASP A 206 36.809 15.574 2.791 1.00 10.14 H new ATOM 615 N HIS A 207 33.519 15.280 -0.044 1.00 35.43 N ATOM 616 CA HIS A 207 32.954 15.334 -1.388 1.00 10.32 C ATOM 617 C HIS A 207 31.881 16.414 -1.483 1.00 74.30 C ATOM 618 O HIS A 207 30.881 16.372 -0.768 1.00 35.13 O ATOM 619 CB HIS A 207 32.364 13.976 -1.771 1.00 52.44 C ATOM 620 CG HIS A 207 33.393 12.901 -1.933 1.00 31.11 C ATOM 621 ND1 HIS A 207 33.077 11.603 -2.278 1.00 44.10 N ATOM 622 CD2 HIS A 207 34.739 12.935 -1.798 1.00 0.24 C ATOM 623 CE1 HIS A 207 34.184 10.885 -2.344 1.00 43.35 C ATOM 624 NE2 HIS A 207 35.207 11.671 -2.058 1.00 63.23 N ATOM 0 H HIS A 207 33.144 14.533 0.541 1.00 35.43 H new ATOM 0 HA HIS A 207 33.756 15.582 -2.083 1.00 10.32 H new ATOM 0 HB2 HIS A 207 31.649 13.671 -1.007 1.00 52.44 H new ATOM 0 HB3 HIS A 207 31.809 14.080 -2.703 1.00 52.44 H new ATOM 0 HD2 HIS A 207 35.334 13.797 -1.535 1.00 0.24 H new ATOM 0 HE1 HIS A 207 34.243 9.835 -2.590 1.00 43.35 H new ATOM 0 HE2 HIS A 207 36.186 11.385 -2.034 1.00 63.23 H new ATOM 631 N GLN A 208 32.097 17.380 -2.370 1.00 62.22 N ATOM 632 CA GLN A 208 31.148 18.471 -2.558 1.00 31.14 C ATOM 633 C GLN A 208 29.784 17.938 -2.984 1.00 54.21 C ATOM 634 O GLN A 208 29.691 16.965 -3.732 1.00 44.45 O ATOM 635 CB GLN A 208 31.673 19.458 -3.602 1.00 15.23 C ATOM 636 CG GLN A 208 33.125 19.854 -3.388 1.00 55.45 C ATOM 637 CD GLN A 208 33.310 21.355 -3.284 1.00 43.12 C ATOM 638 OE1 GLN A 208 33.089 22.088 -4.249 1.00 24.13 O ATOM 639 NE2 GLN A 208 33.718 21.822 -2.110 1.00 13.22 N ATOM 0 H GLN A 208 32.921 17.429 -2.970 1.00 62.22 H new ATOM 0 HA GLN A 208 31.034 18.988 -1.605 1.00 31.14 H new ATOM 0 HB2 GLN A 208 31.568 19.016 -4.593 1.00 15.23 H new ATOM 0 HB3 GLN A 208 31.054 20.355 -3.586 1.00 15.23 H new ATOM 0 HG2 GLN A 208 33.496 19.382 -2.478 1.00 55.45 H new ATOM 0 HG3 GLN A 208 33.727 19.474 -4.213 1.00 55.45 H new ATOM 0 HE21 GLN A 208 33.889 21.179 -1.337 1.00 13.22 H new ATOM 0 HE22 GLN A 208 33.860 22.824 -1.981 1.00 13.22 H new ATOM 648 N VAL A 209 28.726 18.584 -2.503 1.00 33.42 N ATOM 649 CA VAL A 209 27.366 18.175 -2.835 1.00 35.03 C ATOM 650 C VAL A 209 26.473 19.386 -3.078 1.00 13.34 C ATOM 651 O VAL A 209 26.944 20.522 -3.104 1.00 52.45 O ATOM 652 CB VAL A 209 26.750 17.313 -1.717 1.00 14.33 C ATOM 653 CG1 VAL A 209 27.631 16.109 -1.423 1.00 1.41 C ATOM 654 CG2 VAL A 209 26.534 18.144 -0.461 1.00 55.41 C ATOM 0 H VAL A 209 28.784 19.392 -1.883 1.00 33.42 H new ATOM 0 HA VAL A 209 27.427 17.583 -3.748 1.00 35.03 H new ATOM 0 HB VAL A 209 25.780 16.949 -2.056 1.00 14.33 H new ATOM 0 HG11 VAL A 209 27.179 15.512 -0.631 1.00 1.41 H new ATOM 0 HG12 VAL A 209 27.730 15.502 -2.323 1.00 1.41 H new ATOM 0 HG13 VAL A 209 28.617 16.448 -1.104 1.00 1.41 H new ATOM 0 HG21 VAL A 209 26.098 17.519 0.318 1.00 55.41 H new ATOM 0 HG22 VAL A 209 27.490 18.539 -0.117 1.00 55.41 H new ATOM 0 HG23 VAL A 209 25.859 18.970 -0.683 1.00 55.41 H new ATOM 664 N ALA A 210 25.179 19.136 -3.255 1.00 30.42 N ATOM 665 CA ALA A 210 24.218 20.205 -3.494 1.00 5.13 C ATOM 666 C ALA A 210 23.100 20.179 -2.459 1.00 12.33 C ATOM 667 O ALA A 210 22.301 19.243 -2.417 1.00 1.23 O ATOM 668 CB ALA A 210 23.645 20.095 -4.898 1.00 11.22 C ATOM 0 H ALA A 210 24.772 18.201 -3.237 1.00 30.42 H new ATOM 0 HA ALA A 210 24.740 21.157 -3.401 1.00 5.13 H new ATOM 0 HB1 ALA A 210 22.929 20.900 -5.063 1.00 11.22 H new ATOM 0 HB2 ALA A 210 24.451 20.172 -5.627 1.00 11.22 H new ATOM 0 HB3 ALA A 210 23.144 19.134 -5.012 1.00 11.22 H new ATOM 674 N ALA A 211 23.047 21.212 -1.624 1.00 43.25 N ATOM 675 CA ALA A 211 22.024 21.308 -0.589 1.00 65.22 C ATOM 676 C ALA A 211 20.658 21.608 -1.195 1.00 34.32 C ATOM 677 O ALA A 211 20.559 22.207 -2.266 1.00 62.33 O ATOM 678 CB ALA A 211 22.400 22.377 0.426 1.00 64.11 C ATOM 0 H ALA A 211 23.701 21.995 -1.644 1.00 43.25 H new ATOM 0 HA ALA A 211 21.964 20.346 -0.081 1.00 65.22 H new ATOM 0 HB1 ALA A 211 21.628 22.438 1.193 1.00 64.11 H new ATOM 0 HB2 ALA A 211 23.352 22.120 0.890 1.00 64.11 H new ATOM 0 HB3 ALA A 211 22.490 23.340 -0.076 1.00 64.11 H new ATOM 684 N LEU A 212 19.605 21.186 -0.503 1.00 30.02 N ATOM 685 CA LEU A 212 18.242 21.407 -0.974 1.00 15.31 C ATOM 686 C LEU A 212 17.346 21.892 0.162 1.00 21.01 C ATOM 687 O LEU A 212 17.473 21.444 1.301 1.00 55.10 O ATOM 688 CB LEU A 212 17.673 20.120 -1.572 1.00 61.33 C ATOM 689 CG LEU A 212 16.880 20.277 -2.871 1.00 64.53 C ATOM 690 CD1 LEU A 212 17.778 20.035 -4.076 1.00 14.32 C ATOM 691 CD2 LEU A 212 15.693 19.326 -2.889 1.00 54.02 C ATOM 0 H LEU A 212 19.669 20.689 0.386 1.00 30.02 H new ATOM 0 HA LEU A 212 18.271 22.177 -1.745 1.00 15.31 H new ATOM 0 HB2 LEU A 212 18.498 19.432 -1.754 1.00 61.33 H new ATOM 0 HB3 LEU A 212 17.027 19.653 -0.829 1.00 61.33 H new ATOM 0 HG LEU A 212 16.502 21.298 -2.923 1.00 64.53 H new ATOM 0 HD11 LEU A 212 17.198 20.151 -4.991 1.00 14.32 H new ATOM 0 HD12 LEU A 212 18.596 20.756 -4.071 1.00 14.32 H new ATOM 0 HD13 LEU A 212 18.185 19.025 -4.030 1.00 14.32 H new ATOM 0 HD21 LEU A 212 15.140 19.451 -3.820 1.00 54.02 H new ATOM 0 HD22 LEU A 212 16.049 18.298 -2.814 1.00 54.02 H new ATOM 0 HD23 LEU A 212 15.038 19.546 -2.046 1.00 54.02 H new ATOM 703 N SER A 213 16.439 22.810 -0.159 1.00 35.24 N ATOM 704 CA SER A 213 15.523 23.358 0.835 1.00 31.42 C ATOM 705 C SER A 213 14.371 24.099 0.162 1.00 2.44 C ATOM 706 O SER A 213 14.582 24.891 -0.756 1.00 1.51 O ATOM 707 CB SER A 213 16.268 24.301 1.781 1.00 11.32 C ATOM 708 OG SER A 213 17.308 24.986 1.105 1.00 52.11 O ATOM 0 H SER A 213 16.319 23.189 -1.098 1.00 35.24 H new ATOM 0 HA SER A 213 15.112 22.529 1.410 1.00 31.42 H new ATOM 0 HB2 SER A 213 15.569 25.022 2.205 1.00 11.32 H new ATOM 0 HB3 SER A 213 16.684 23.733 2.613 1.00 11.32 H new ATOM 0 HG SER A 213 17.767 25.583 1.731 1.00 52.11 H new ATOM 714 N GLU A 214 13.154 23.835 0.626 1.00 53.42 N ATOM 715 CA GLU A 214 11.970 24.476 0.069 1.00 54.22 C ATOM 716 C GLU A 214 11.620 25.743 0.845 1.00 15.34 C ATOM 717 O GLU A 214 11.346 26.788 0.257 1.00 0.32 O ATOM 718 CB GLU A 214 10.783 23.511 0.087 1.00 33.42 C ATOM 719 CG GLU A 214 11.128 22.113 -0.400 1.00 23.35 C ATOM 720 CD GLU A 214 9.913 21.210 -0.490 1.00 63.40 C ATOM 721 OE1 GLU A 214 8.783 21.722 -0.356 1.00 1.31 O ATOM 722 OE2 GLU A 214 10.094 19.991 -0.694 1.00 11.31 O ATOM 0 H GLU A 214 12.963 23.182 1.386 1.00 53.42 H new ATOM 0 HA GLU A 214 12.190 24.751 -0.962 1.00 54.22 H new ATOM 0 HB2 GLU A 214 10.393 23.447 1.103 1.00 33.42 H new ATOM 0 HB3 GLU A 214 9.986 23.917 -0.536 1.00 33.42 H new ATOM 0 HG2 GLU A 214 11.600 22.180 -1.380 1.00 23.35 H new ATOM 0 HG3 GLU A 214 11.858 21.667 0.275 1.00 23.35 H new TER 729 GLU A 214 HETATM 730 ZN ZN A1175 24.589 4.862 1.515 1.00 33.35 ZN HETATM 731 ZN ZN A1187 31.117 11.117 -2.814 1.00 12.33 ZN