USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=5 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 X(o=0,f=0) USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 185 MET CE :methyl -173:sc= -0.678 (180deg=-0.725) USER MOD Single : A 186 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0.0508 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= -0.212 X(o=-0.21,f=-0.5) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 4.657 4.946 -2.988 1.00 53.13 N ATOM 2 CA SER A 168 4.562 6.172 -2.205 1.00 52.42 C ATOM 3 C SER A 168 4.454 7.392 -3.115 1.00 72.43 C ATOM 4 O SER A 168 4.735 7.314 -4.312 1.00 1.01 O ATOM 5 CB SER A 168 5.780 6.311 -1.289 1.00 52.21 C ATOM 6 OG SER A 168 5.580 5.621 -0.067 1.00 43.21 O ATOM 0 HA SER A 168 3.661 6.116 -1.595 1.00 52.42 H new ATOM 0 HB2 SER A 168 6.664 5.918 -1.792 1.00 52.21 H new ATOM 0 HB3 SER A 168 5.970 7.365 -1.088 1.00 52.21 H new ATOM 0 HG SER A 168 6.373 5.723 0.500 1.00 43.21 H new ATOM 12 N HIS A 169 4.045 8.518 -2.539 1.00 73.13 N ATOM 13 CA HIS A 169 3.899 9.755 -3.298 1.00 44.30 C ATOM 14 C HIS A 169 5.236 10.482 -3.412 1.00 12.34 C ATOM 15 O HIS A 169 5.741 10.704 -4.513 1.00 72.22 O ATOM 16 CB HIS A 169 2.866 10.666 -2.635 1.00 53.25 C ATOM 17 CG HIS A 169 1.906 11.287 -3.604 1.00 24.22 C ATOM 18 ND1 HIS A 169 0.832 10.608 -4.139 1.00 2.32 N ATOM 19 CD2 HIS A 169 1.863 12.532 -4.132 1.00 40.11 C ATOM 20 CE1 HIS A 169 0.171 11.409 -4.955 1.00 52.10 C ATOM 21 NE2 HIS A 169 0.776 12.583 -4.968 1.00 73.42 N ATOM 0 H HIS A 169 3.809 8.599 -1.550 1.00 73.13 H new ATOM 0 HA HIS A 169 3.557 9.499 -4.301 1.00 44.30 H new ATOM 0 HB2 HIS A 169 2.305 10.090 -1.899 1.00 53.25 H new ATOM 0 HB3 HIS A 169 3.385 11.457 -2.093 1.00 53.25 H new ATOM 0 HD2 HIS A 169 2.556 13.336 -3.933 1.00 40.11 H new ATOM 0 HE1 HIS A 169 -0.714 11.148 -5.516 1.00 52.10 H new ATOM 0 HE2 HIS A 169 0.483 13.395 -5.511 1.00 73.42 H new ATOM 29 N ILE A 170 5.804 10.850 -2.268 1.00 14.31 N ATOM 30 CA ILE A 170 7.080 11.551 -2.241 1.00 45.51 C ATOM 31 C ILE A 170 8.177 10.721 -2.900 1.00 3.32 C ATOM 32 O ILE A 170 8.310 9.526 -2.635 1.00 2.22 O ATOM 33 CB ILE A 170 7.506 11.892 -0.800 1.00 75.52 C ATOM 34 CG1 ILE A 170 8.778 12.741 -0.807 1.00 55.32 C ATOM 35 CG2 ILE A 170 7.718 10.618 0.005 1.00 71.43 C ATOM 36 CD1 ILE A 170 8.598 14.093 -1.461 1.00 53.11 C ATOM 0 H ILE A 170 5.400 10.674 -1.348 1.00 14.31 H new ATOM 0 HA ILE A 170 6.943 12.477 -2.799 1.00 45.51 H new ATOM 0 HB ILE A 170 6.710 12.469 -0.329 1.00 75.52 H new ATOM 0 HG12 ILE A 170 9.115 12.885 0.220 1.00 55.32 H new ATOM 0 HG13 ILE A 170 9.566 12.197 -1.328 1.00 55.32 H new ATOM 0 HG21 ILE A 170 8.019 10.875 1.021 1.00 71.43 H new ATOM 0 HG22 ILE A 170 6.790 10.048 0.035 1.00 71.43 H new ATOM 0 HG23 ILE A 170 8.498 10.017 -0.463 1.00 71.43 H new ATOM 0 HD11 ILE A 170 9.540 14.640 -1.430 1.00 53.11 H new ATOM 0 HD12 ILE A 170 8.291 13.958 -2.498 1.00 53.11 H new ATOM 0 HD13 ILE A 170 7.833 14.657 -0.927 1.00 53.11 H new ATOM 48 N ARG A 171 8.963 11.363 -3.759 1.00 14.54 N ATOM 49 CA ARG A 171 10.049 10.685 -4.455 1.00 71.20 C ATOM 50 C ARG A 171 11.197 10.375 -3.498 1.00 63.14 C ATOM 51 O ARG A 171 11.091 10.594 -2.293 1.00 1.02 O ATOM 52 CB ARG A 171 10.556 11.545 -5.614 1.00 75.52 C ATOM 53 CG ARG A 171 11.250 12.821 -5.169 1.00 12.34 C ATOM 54 CD ARG A 171 11.055 13.943 -6.177 1.00 75.32 C ATOM 55 NE ARG A 171 10.468 15.132 -5.566 1.00 32.35 N ATOM 56 CZ ARG A 171 10.331 16.292 -6.198 1.00 40.13 C ATOM 57 NH1 ARG A 171 10.737 16.418 -7.454 1.00 1.44 N ATOM 58 NH2 ARG A 171 9.787 17.330 -5.575 1.00 21.25 N ATOM 0 H ARG A 171 8.867 12.352 -3.989 1.00 14.54 H new ATOM 0 HA ARG A 171 9.663 9.745 -4.850 1.00 71.20 H new ATOM 0 HB2 ARG A 171 11.248 10.956 -6.216 1.00 75.52 H new ATOM 0 HB3 ARG A 171 9.715 11.804 -6.257 1.00 75.52 H new ATOM 0 HG2 ARG A 171 10.859 13.130 -4.199 1.00 12.34 H new ATOM 0 HG3 ARG A 171 12.315 12.630 -5.037 1.00 12.34 H new ATOM 0 HD2 ARG A 171 12.016 14.201 -6.622 1.00 75.32 H new ATOM 0 HD3 ARG A 171 10.412 13.596 -6.986 1.00 75.32 H new ATOM 0 HE ARG A 171 10.145 15.068 -4.600 1.00 32.35 H new ATOM 0 HH11 ARG A 171 11.156 15.623 -7.937 1.00 1.44 H new ATOM 0 HH12 ARG A 171 10.631 17.310 -7.937 1.00 1.44 H new ATOM 0 HH21 ARG A 171 9.473 17.238 -4.609 1.00 21.25 H new ATOM 0 HH22 ARG A 171 9.683 18.220 -6.062 1.00 21.25 H new ATOM 72 N GLY A 172 12.295 9.861 -4.047 1.00 21.11 N ATOM 73 CA GLY A 172 13.445 9.527 -3.229 1.00 3.44 C ATOM 74 C GLY A 172 13.993 8.146 -3.534 1.00 1.44 C ATOM 75 O GLY A 172 13.245 7.168 -3.566 1.00 5.22 O ATOM 0 H GLY A 172 12.407 9.671 -5.043 1.00 21.11 H new ATOM 0 HA2 GLY A 172 14.228 10.268 -3.388 1.00 3.44 H new ATOM 0 HA3 GLY A 172 13.166 9.579 -2.177 1.00 3.44 H new ATOM 79 N LEU A 173 15.300 8.067 -3.760 1.00 32.24 N ATOM 80 CA LEU A 173 15.947 6.795 -4.066 1.00 53.23 C ATOM 81 C LEU A 173 17.011 6.461 -3.026 1.00 72.13 C ATOM 82 O LEU A 173 18.151 6.913 -3.123 1.00 41.21 O ATOM 83 CB LEU A 173 16.576 6.845 -5.459 1.00 50.23 C ATOM 84 CG LEU A 173 16.010 5.864 -6.487 1.00 2.43 C ATOM 85 CD1 LEU A 173 16.180 4.431 -6.007 1.00 50.43 C ATOM 86 CD2 LEU A 173 14.544 6.166 -6.762 1.00 74.00 C ATOM 0 H LEU A 173 15.932 8.867 -3.737 1.00 32.24 H new ATOM 0 HA LEU A 173 15.188 6.013 -4.044 1.00 53.23 H new ATOM 0 HB2 LEU A 173 16.463 7.856 -5.851 1.00 50.23 H new ATOM 0 HB3 LEU A 173 17.645 6.659 -5.360 1.00 50.23 H new ATOM 0 HG LEU A 173 16.565 5.982 -7.418 1.00 2.43 H new ATOM 0 HD11 LEU A 173 15.772 3.747 -6.751 1.00 50.43 H new ATOM 0 HD12 LEU A 173 17.239 4.219 -5.862 1.00 50.43 H new ATOM 0 HD13 LEU A 173 15.651 4.298 -5.063 1.00 50.43 H new ATOM 0 HD21 LEU A 173 14.158 5.458 -7.496 1.00 74.00 H new ATOM 0 HD22 LEU A 173 13.974 6.077 -5.837 1.00 74.00 H new ATOM 0 HD23 LEU A 173 14.448 7.180 -7.151 1.00 74.00 H new ATOM 98 N MET A 174 16.630 5.664 -2.033 1.00 23.21 N ATOM 99 CA MET A 174 17.555 5.265 -0.978 1.00 35.43 C ATOM 100 C MET A 174 18.836 4.685 -1.567 1.00 75.11 C ATOM 101 O MET A 174 18.859 4.361 -2.754 1.00 12.03 O ATOM 102 CB MET A 174 16.895 4.240 -0.054 1.00 72.12 C ATOM 103 CG MET A 174 15.662 4.770 0.661 1.00 63.12 C ATOM 104 SD MET A 174 14.177 3.822 0.279 1.00 31.32 S ATOM 105 CE MET A 174 13.204 4.107 1.757 1.00 52.35 C ATOM 0 H MET A 174 15.689 5.282 -1.937 1.00 23.21 H new ATOM 0 HA MET A 174 17.812 6.153 -0.400 1.00 35.43 H new ATOM 0 HB2 MET A 174 16.617 3.363 -0.638 1.00 72.12 H new ATOM 0 HB3 MET A 174 17.622 3.911 0.689 1.00 72.12 H new ATOM 0 HG2 MET A 174 15.834 4.750 1.737 1.00 63.12 H new ATOM 0 HG3 MET A 174 15.505 5.812 0.382 1.00 63.12 H new ATOM 0 HE1 MET A 174 12.252 3.583 1.672 1.00 52.35 H new ATOM 0 HE2 MET A 174 13.746 3.736 2.627 1.00 52.35 H new ATOM 0 HE3 MET A 174 13.021 5.175 1.872 1.00 52.35 H new ATOM 115 N CYS A 175 19.862 4.569 -0.738 1.00 23.31 N ATOM 116 CA CYS A 175 21.133 4.029 -1.190 1.00 10.41 C ATOM 117 C CYS A 175 20.877 2.655 -1.813 1.00 0.44 C ATOM 118 O CYS A 175 19.847 2.017 -1.589 1.00 12.51 O ATOM 119 CB CYS A 175 22.155 3.959 -0.053 1.00 31.33 C ATOM 120 SG CYS A 175 23.754 4.656 -0.605 1.00 45.52 S ATOM 0 H CYS A 175 19.839 4.840 0.245 1.00 23.31 H new ATOM 0 HA CYS A 175 21.566 4.692 -1.939 1.00 10.41 H new ATOM 0 HB2 CYS A 175 21.787 4.511 0.812 1.00 31.33 H new ATOM 0 HB3 CYS A 175 22.290 2.924 0.263 1.00 31.33 H new ATOM 125 N LEU A 176 21.845 2.210 -2.607 1.00 30.31 N ATOM 126 CA LEU A 176 21.751 0.917 -3.276 1.00 71.31 C ATOM 127 C LEU A 176 21.837 -0.225 -2.268 1.00 40.14 C ATOM 128 O LEU A 176 20.958 -1.085 -2.214 1.00 21.13 O ATOM 129 CB LEU A 176 22.862 0.778 -4.318 1.00 33.44 C ATOM 130 CG LEU A 176 22.678 1.583 -5.605 1.00 64.52 C ATOM 131 CD1 LEU A 176 23.172 3.009 -5.417 1.00 31.41 C ATOM 132 CD2 LEU A 176 23.408 0.913 -6.761 1.00 33.23 C ATOM 0 H LEU A 176 22.703 2.725 -2.803 1.00 30.31 H new ATOM 0 HA LEU A 176 20.784 0.863 -3.776 1.00 71.31 H new ATOM 0 HB2 LEU A 176 23.804 1.076 -3.858 1.00 33.44 H new ATOM 0 HB3 LEU A 176 22.956 -0.275 -4.582 1.00 33.44 H new ATOM 0 HG LEU A 176 21.615 1.616 -5.842 1.00 64.52 H new ATOM 0 HD11 LEU A 176 23.033 3.567 -6.343 1.00 31.41 H new ATOM 0 HD12 LEU A 176 22.607 3.487 -4.617 1.00 31.41 H new ATOM 0 HD13 LEU A 176 24.230 2.996 -5.156 1.00 31.41 H new ATOM 0 HD21 LEU A 176 23.267 1.499 -7.669 1.00 33.23 H new ATOM 0 HD22 LEU A 176 24.472 0.850 -6.532 1.00 33.23 H new ATOM 0 HD23 LEU A 176 23.009 -0.090 -6.911 1.00 33.23 H new ATOM 144 N GLU A 177 22.902 -0.225 -1.471 1.00 55.15 N ATOM 145 CA GLU A 177 23.101 -1.261 -0.464 1.00 10.40 C ATOM 146 C GLU A 177 22.340 -0.930 0.816 1.00 15.42 C ATOM 147 O GLU A 177 21.825 -1.819 1.494 1.00 22.11 O ATOM 148 CB GLU A 177 24.591 -1.424 -0.157 1.00 72.32 C ATOM 149 CG GLU A 177 25.359 -2.157 -1.244 1.00 72.31 C ATOM 150 CD GLU A 177 26.433 -3.071 -0.685 1.00 13.14 C ATOM 151 OE1 GLU A 177 26.097 -4.207 -0.288 1.00 42.13 O ATOM 152 OE2 GLU A 177 27.607 -2.650 -0.643 1.00 21.45 O ATOM 0 H GLU A 177 23.639 0.480 -1.503 1.00 55.15 H new ATOM 0 HA GLU A 177 22.714 -2.199 -0.863 1.00 10.40 H new ATOM 0 HB2 GLU A 177 25.034 -0.438 -0.013 1.00 72.32 H new ATOM 0 HB3 GLU A 177 24.703 -1.965 0.783 1.00 72.32 H new ATOM 0 HG2 GLU A 177 24.663 -2.744 -1.842 1.00 72.31 H new ATOM 0 HG3 GLU A 177 25.819 -1.429 -1.913 1.00 72.31 H new ATOM 159 N HIS A 178 22.273 0.358 1.141 1.00 72.22 N ATOM 160 CA HIS A 178 21.576 0.809 2.341 1.00 65.11 C ATOM 161 C HIS A 178 20.132 1.183 2.022 1.00 5.11 C ATOM 162 O HIS A 178 19.730 2.335 2.183 1.00 62.11 O ATOM 163 CB HIS A 178 22.301 2.005 2.958 1.00 4.44 C ATOM 164 CG HIS A 178 23.784 1.820 3.059 1.00 0.51 C ATOM 165 ND1 HIS A 178 24.692 2.706 2.517 1.00 1.32 N ATOM 166 CD2 HIS A 178 24.517 0.844 3.645 1.00 52.23 C ATOM 167 CE1 HIS A 178 25.919 2.282 2.765 1.00 72.34 C ATOM 168 NE2 HIS A 178 25.840 1.155 3.448 1.00 33.30 N ATOM 0 H HIS A 178 22.693 1.107 0.590 1.00 72.22 H new ATOM 0 HA HIS A 178 21.570 -0.012 3.058 1.00 65.11 H new ATOM 0 HB2 HIS A 178 22.094 2.893 2.360 1.00 4.44 H new ATOM 0 HB3 HIS A 178 21.898 2.190 3.954 1.00 4.44 H new ATOM 0 HD2 HIS A 178 24.133 -0.018 4.170 1.00 52.23 H new ATOM 0 HE1 HIS A 178 26.831 2.774 2.461 1.00 72.34 H new ATOM 0 HE2 HIS A 178 26.633 0.604 3.776 1.00 33.30 H new ATOM 175 N GLU A 179 19.358 0.202 1.570 1.00 11.01 N ATOM 176 CA GLU A 179 17.959 0.430 1.228 1.00 61.11 C ATOM 177 C GLU A 179 17.187 0.977 2.425 1.00 2.11 C ATOM 178 O GLU A 179 16.154 1.628 2.268 1.00 64.15 O ATOM 179 CB GLU A 179 17.312 -0.868 0.740 1.00 72.33 C ATOM 180 CG GLU A 179 16.808 -0.797 -0.692 1.00 11.52 C ATOM 181 CD GLU A 179 15.816 -1.897 -1.016 1.00 72.30 C ATOM 182 OE1 GLU A 179 14.667 -1.822 -0.534 1.00 30.14 O ATOM 183 OE2 GLU A 179 16.190 -2.833 -1.754 1.00 10.04 O ATOM 0 H GLU A 179 19.675 -0.757 1.432 1.00 11.01 H new ATOM 0 HA GLU A 179 17.924 1.169 0.427 1.00 61.11 H new ATOM 0 HB2 GLU A 179 18.037 -1.678 0.821 1.00 72.33 H new ATOM 0 HB3 GLU A 179 16.479 -1.118 1.397 1.00 72.33 H new ATOM 0 HG2 GLU A 179 16.338 0.172 -0.860 1.00 11.52 H new ATOM 0 HG3 GLU A 179 17.655 -0.864 -1.375 1.00 11.52 H new ATOM 190 N ASP A 180 17.697 0.708 3.623 1.00 63.44 N ATOM 191 CA ASP A 180 17.057 1.172 4.848 1.00 54.21 C ATOM 192 C ASP A 180 17.678 2.482 5.321 1.00 14.44 C ATOM 193 O ASP A 180 17.791 2.727 6.522 1.00 10.11 O ATOM 194 CB ASP A 180 17.174 0.111 5.943 1.00 51.32 C ATOM 195 CG ASP A 180 15.869 -0.104 6.683 1.00 13.31 C ATOM 196 OD1 ASP A 180 14.958 -0.734 6.107 1.00 53.40 O ATOM 197 OD2 ASP A 180 15.757 0.360 7.838 1.00 64.54 O ATOM 0 H ASP A 180 18.552 0.171 3.771 1.00 63.44 H new ATOM 0 HA ASP A 180 16.002 1.347 4.635 1.00 54.21 H new ATOM 0 HB2 ASP A 180 17.496 -0.831 5.499 1.00 51.32 H new ATOM 0 HB3 ASP A 180 17.946 0.409 6.653 1.00 51.32 H new ATOM 202 N GLU A 181 18.079 3.320 4.370 1.00 24.04 N ATOM 203 CA GLU A 181 18.691 4.603 4.693 1.00 10.50 C ATOM 204 C GLU A 181 18.425 5.626 3.590 1.00 71.40 C ATOM 205 O GLU A 181 19.205 5.758 2.648 1.00 63.11 O ATOM 206 CB GLU A 181 20.199 4.440 4.897 1.00 70.42 C ATOM 207 CG GLU A 181 20.607 4.330 6.356 1.00 61.13 C ATOM 208 CD GLU A 181 21.068 2.935 6.730 1.00 62.33 C ATOM 209 OE1 GLU A 181 22.145 2.519 6.254 1.00 73.42 O ATOM 210 OE2 GLU A 181 20.352 2.259 7.498 1.00 23.04 O ATOM 0 H GLU A 181 17.991 3.133 3.371 1.00 24.04 H new ATOM 0 HA GLU A 181 18.244 4.965 5.619 1.00 10.50 H new ATOM 0 HB2 GLU A 181 20.535 3.549 4.366 1.00 70.42 H new ATOM 0 HB3 GLU A 181 20.712 5.291 4.448 1.00 70.42 H new ATOM 0 HG2 GLU A 181 21.409 5.040 6.560 1.00 61.13 H new ATOM 0 HG3 GLU A 181 19.764 4.611 6.987 1.00 61.13 H new ATOM 217 N LYS A 182 17.315 6.345 3.715 1.00 52.13 N ATOM 218 CA LYS A 182 16.943 7.355 2.732 1.00 50.42 C ATOM 219 C LYS A 182 18.095 8.324 2.484 1.00 64.21 C ATOM 220 O LYS A 182 18.570 8.987 3.405 1.00 20.12 O ATOM 221 CB LYS A 182 15.708 8.126 3.204 1.00 71.25 C ATOM 222 CG LYS A 182 14.795 8.563 2.070 1.00 11.44 C ATOM 223 CD LYS A 182 15.158 9.949 1.566 1.00 43.24 C ATOM 224 CE LYS A 182 13.999 10.922 1.723 1.00 5.24 C ATOM 225 NZ LYS A 182 13.925 11.477 3.103 1.00 21.42 N ATOM 0 H LYS A 182 16.657 6.247 4.488 1.00 52.13 H new ATOM 0 HA LYS A 182 16.711 6.846 1.796 1.00 50.42 H new ATOM 0 HB2 LYS A 182 15.142 7.501 3.895 1.00 71.25 H new ATOM 0 HB3 LYS A 182 16.030 9.006 3.760 1.00 71.25 H new ATOM 0 HG2 LYS A 182 14.863 7.847 1.251 1.00 11.44 H new ATOM 0 HG3 LYS A 182 13.760 8.559 2.412 1.00 11.44 H new ATOM 0 HD2 LYS A 182 16.023 10.321 2.114 1.00 43.24 H new ATOM 0 HD3 LYS A 182 15.446 9.891 0.516 1.00 43.24 H new ATOM 0 HE2 LYS A 182 14.110 11.738 1.009 1.00 5.24 H new ATOM 0 HE3 LYS A 182 13.064 10.415 1.485 1.00 5.24 H new ATOM 0 HZ1 LYS A 182 13.123 12.135 3.170 1.00 21.42 H new ATOM 0 HZ2 LYS A 182 13.793 10.701 3.783 1.00 21.42 H new ATOM 0 HZ3 LYS A 182 14.807 11.983 3.322 1.00 21.42 H new ATOM 239 N VAL A 183 18.539 8.401 1.233 1.00 51.00 N ATOM 240 CA VAL A 183 19.633 9.291 0.864 1.00 71.13 C ATOM 241 C VAL A 183 19.373 10.712 1.350 1.00 24.13 C ATOM 242 O VAL A 183 18.247 11.064 1.697 1.00 31.32 O ATOM 243 CB VAL A 183 19.846 9.313 -0.662 1.00 43.41 C ATOM 244 CG1 VAL A 183 20.396 7.980 -1.144 1.00 73.00 C ATOM 245 CG2 VAL A 183 18.548 9.655 -1.377 1.00 45.20 C ATOM 0 H VAL A 183 18.158 7.858 0.459 1.00 51.00 H new ATOM 0 HA VAL A 183 20.532 8.905 1.344 1.00 71.13 H new ATOM 0 HB VAL A 183 20.577 10.086 -0.898 1.00 43.41 H new ATOM 0 HG11 VAL A 183 20.540 8.015 -2.224 1.00 73.00 H new ATOM 0 HG12 VAL A 183 21.351 7.783 -0.657 1.00 73.00 H new ATOM 0 HG13 VAL A 183 19.692 7.185 -0.897 1.00 73.00 H new ATOM 0 HG21 VAL A 183 18.718 9.666 -2.454 1.00 45.20 H new ATOM 0 HG22 VAL A 183 17.792 8.907 -1.136 1.00 45.20 H new ATOM 0 HG23 VAL A 183 18.203 10.637 -1.054 1.00 45.20 H new ATOM 255 N ASN A 184 20.424 11.526 1.372 1.00 33.45 N ATOM 256 CA ASN A 184 20.310 12.910 1.817 1.00 64.31 C ATOM 257 C ASN A 184 20.654 13.874 0.686 1.00 51.12 C ATOM 258 O ASN A 184 20.045 14.936 0.556 1.00 71.15 O ATOM 259 CB ASN A 184 21.229 13.160 3.013 1.00 3.24 C ATOM 260 CG ASN A 184 20.489 13.749 4.199 1.00 14.04 C ATOM 261 OD1 ASN A 184 20.320 14.964 4.298 1.00 34.35 O ATOM 262 ND2 ASN A 184 20.044 12.887 5.106 1.00 4.10 N ATOM 0 H ASN A 184 21.364 11.251 1.087 1.00 33.45 H new ATOM 0 HA ASN A 184 19.277 13.085 2.119 1.00 64.31 H new ATOM 0 HB2 ASN A 184 21.697 12.222 3.310 1.00 3.24 H new ATOM 0 HB3 ASN A 184 22.031 13.836 2.716 1.00 3.24 H new ATOM 0 HD21 ASN A 184 19.539 13.224 5.926 1.00 4.10 H new ATOM 0 HD22 ASN A 184 20.207 11.888 4.983 1.00 4.10 H new ATOM 269 N MET A 185 21.633 13.496 -0.129 1.00 2.44 N ATOM 270 CA MET A 185 22.057 14.328 -1.249 1.00 64.44 C ATOM 271 C MET A 185 22.864 13.512 -2.256 1.00 23.13 C ATOM 272 O MET A 185 22.906 12.284 -2.183 1.00 31.54 O ATOM 273 CB MET A 185 22.890 15.510 -0.750 1.00 22.33 C ATOM 274 CG MET A 185 22.384 16.858 -1.235 1.00 71.24 C ATOM 275 SD MET A 185 21.554 17.797 0.061 1.00 53.02 S ATOM 276 CE MET A 185 19.978 18.134 -0.722 1.00 3.14 C ATOM 0 H MET A 185 22.147 12.620 -0.035 1.00 2.44 H new ATOM 0 HA MET A 185 21.164 14.707 -1.745 1.00 64.44 H new ATOM 0 HB2 MET A 185 22.897 15.505 0.340 1.00 22.33 H new ATOM 0 HB3 MET A 185 23.922 15.380 -1.076 1.00 22.33 H new ATOM 0 HG2 MET A 185 23.222 17.439 -1.619 1.00 71.24 H new ATOM 0 HG3 MET A 185 21.695 16.705 -2.066 1.00 71.24 H new ATOM 0 HE1 MET A 185 19.399 18.813 -0.096 1.00 3.14 H new ATOM 0 HE2 MET A 185 20.146 18.593 -1.696 1.00 3.14 H new ATOM 0 HE3 MET A 185 19.429 17.201 -0.851 1.00 3.14 H new ATOM 286 N TYR A 186 23.502 14.203 -3.194 1.00 64.21 N ATOM 287 CA TYR A 186 24.306 13.542 -4.216 1.00 51.43 C ATOM 288 C TYR A 186 25.667 14.217 -4.359 1.00 11.00 C ATOM 289 O TYR A 186 25.738 15.444 -4.333 1.00 0.23 O ATOM 290 CB TYR A 186 23.573 13.558 -5.559 1.00 64.11 C ATOM 291 CG TYR A 186 24.129 14.566 -6.540 1.00 34.23 C ATOM 292 CD1 TYR A 186 23.811 15.914 -6.436 1.00 51.24 C ATOM 293 CD2 TYR A 186 24.972 14.169 -7.570 1.00 62.33 C ATOM 294 CE1 TYR A 186 24.315 16.838 -7.331 1.00 62.02 C ATOM 295 CE2 TYR A 186 25.482 15.086 -8.469 1.00 63.44 C ATOM 296 CZ TYR A 186 25.151 16.419 -8.345 1.00 65.12 C ATOM 297 OH TYR A 186 25.657 17.336 -9.238 1.00 14.54 O ATOM 0 H TYR A 186 23.478 15.220 -3.268 1.00 64.21 H new ATOM 0 HA TYR A 186 24.464 12.509 -3.907 1.00 51.43 H new ATOM 0 HB2 TYR A 186 23.625 12.564 -6.004 1.00 64.11 H new ATOM 0 HB3 TYR A 186 22.519 13.775 -5.386 1.00 64.11 H new ATOM 0 HD1 TYR A 186 23.159 16.246 -5.642 1.00 51.24 H new ATOM 0 HD2 TYR A 186 25.233 13.126 -7.670 1.00 62.33 H new ATOM 0 HE1 TYR A 186 24.056 17.882 -7.237 1.00 62.02 H new ATOM 0 HE2 TYR A 186 26.136 14.761 -9.264 1.00 63.44 H new ATOM 0 HH TYR A 186 26.229 16.878 -9.889 1.00 14.54 H new ATOM 307 N CYS A 187 26.706 13.407 -4.506 1.00 32.03 N ATOM 308 CA CYS A 187 28.052 13.936 -4.652 1.00 34.43 C ATOM 309 C CYS A 187 28.191 14.509 -6.064 1.00 22.25 C ATOM 310 O CYS A 187 28.108 13.801 -7.067 1.00 62.13 O ATOM 311 CB CYS A 187 29.112 12.873 -4.360 1.00 33.41 C ATOM 312 SG CYS A 187 29.919 13.219 -2.754 1.00 31.21 S ATOM 0 H CYS A 187 26.643 12.389 -4.527 1.00 32.03 H new ATOM 0 HA CYS A 187 28.216 14.728 -3.921 1.00 34.43 H new ATOM 0 HB2 CYS A 187 28.652 11.885 -4.340 1.00 33.41 H new ATOM 0 HB3 CYS A 187 29.857 12.862 -5.156 1.00 33.41 H new ATOM 317 N VAL A 188 28.410 15.819 -6.119 1.00 12.00 N ATOM 318 CA VAL A 188 28.567 16.515 -7.391 1.00 21.23 C ATOM 319 C VAL A 188 29.932 16.229 -8.008 1.00 31.05 C ATOM 320 O VAL A 188 30.057 16.073 -9.223 1.00 54.43 O ATOM 321 CB VAL A 188 28.401 18.037 -7.222 1.00 33.23 C ATOM 322 CG1 VAL A 188 28.581 18.745 -8.557 1.00 31.24 C ATOM 323 CG2 VAL A 188 27.044 18.361 -6.615 1.00 63.21 C ATOM 0 H VAL A 188 28.483 16.420 -5.298 1.00 12.00 H new ATOM 0 HA VAL A 188 27.786 16.143 -8.054 1.00 21.23 H new ATOM 0 HB VAL A 188 29.172 18.396 -6.541 1.00 33.23 H new ATOM 0 HG11 VAL A 188 28.460 19.819 -8.418 1.00 31.24 H new ATOM 0 HG12 VAL A 188 29.578 18.539 -8.946 1.00 31.24 H new ATOM 0 HG13 VAL A 188 27.834 18.384 -9.264 1.00 31.24 H new ATOM 0 HG21 VAL A 188 26.944 19.441 -6.503 1.00 63.21 H new ATOM 0 HG22 VAL A 188 26.255 17.990 -7.269 1.00 63.21 H new ATOM 0 HG23 VAL A 188 26.960 17.885 -5.638 1.00 63.21 H new ATOM 333 N THR A 189 30.955 16.160 -7.162 1.00 23.04 N ATOM 334 CA THR A 189 32.312 15.894 -7.623 1.00 11.41 C ATOM 335 C THR A 189 32.398 14.549 -8.334 1.00 74.33 C ATOM 336 O THR A 189 32.865 14.465 -9.470 1.00 24.33 O ATOM 337 CB THR A 189 33.316 15.910 -6.456 1.00 1.24 C ATOM 338 OG1 THR A 189 32.677 15.461 -5.255 1.00 2.12 O ATOM 339 CG2 THR A 189 33.878 17.307 -6.244 1.00 5.55 C ATOM 0 H THR A 189 30.869 16.285 -6.153 1.00 23.04 H new ATOM 0 HA THR A 189 32.568 16.689 -8.323 1.00 11.41 H new ATOM 0 HB THR A 189 34.138 15.239 -6.704 1.00 1.24 H new ATOM 0 HG1 THR A 189 33.322 15.472 -4.517 1.00 2.12 H new ATOM 0 HG21 THR A 189 34.585 17.293 -5.414 1.00 5.55 H new ATOM 0 HG22 THR A 189 34.388 17.635 -7.150 1.00 5.55 H new ATOM 0 HG23 THR A 189 33.065 17.996 -6.016 1.00 5.55 H new ATOM 347 N ASP A 190 31.941 13.499 -7.661 1.00 0.24 N ATOM 348 CA ASP A 190 31.964 12.156 -8.229 1.00 64.11 C ATOM 349 C ASP A 190 30.718 11.901 -9.071 1.00 3.23 C ATOM 350 O ASP A 190 30.634 10.902 -9.786 1.00 53.10 O ATOM 351 CB ASP A 190 32.068 11.111 -7.118 1.00 30.33 C ATOM 352 CG ASP A 190 33.129 11.459 -6.092 1.00 71.22 C ATOM 353 OD1 ASP A 190 34.328 11.346 -6.418 1.00 64.42 O ATOM 354 OD2 ASP A 190 32.758 11.843 -4.962 1.00 65.21 O ATOM 0 H ASP A 190 31.550 13.552 -6.721 1.00 0.24 H new ATOM 0 HA ASP A 190 32.839 12.076 -8.874 1.00 64.11 H new ATOM 0 HB2 ASP A 190 31.103 11.017 -6.620 1.00 30.33 H new ATOM 0 HB3 ASP A 190 32.296 10.140 -7.557 1.00 30.33 H new ATOM 359 N ASP A 191 29.753 12.809 -8.979 1.00 21.43 N ATOM 360 CA ASP A 191 28.511 12.683 -9.733 1.00 31.55 C ATOM 361 C ASP A 191 27.813 11.364 -9.412 1.00 73.03 C ATOM 362 O ASP A 191 27.434 10.618 -10.314 1.00 24.42 O ATOM 363 CB ASP A 191 28.787 12.777 -11.233 1.00 64.44 C ATOM 364 CG ASP A 191 27.514 12.853 -12.054 1.00 2.24 C ATOM 365 OD1 ASP A 191 26.792 13.865 -11.936 1.00 3.34 O ATOM 366 OD2 ASP A 191 27.240 11.901 -12.812 1.00 73.25 O ATOM 0 H ASP A 191 29.807 13.640 -8.390 1.00 21.43 H new ATOM 0 HA ASP A 191 27.853 13.502 -9.442 1.00 31.55 H new ATOM 0 HB2 ASP A 191 29.397 13.658 -11.432 1.00 64.44 H new ATOM 0 HB3 ASP A 191 29.367 11.909 -11.548 1.00 64.44 H new ATOM 371 N GLN A 192 27.648 11.085 -8.123 1.00 42.11 N ATOM 372 CA GLN A 192 26.998 9.856 -7.685 1.00 35.51 C ATOM 373 C GLN A 192 26.254 10.072 -6.371 1.00 52.22 C ATOM 374 O GLN A 192 26.825 10.561 -5.396 1.00 1.31 O ATOM 375 CB GLN A 192 28.030 8.738 -7.523 1.00 52.41 C ATOM 376 CG GLN A 192 27.440 7.437 -7.002 1.00 53.30 C ATOM 377 CD GLN A 192 28.198 6.217 -7.487 1.00 2.20 C ATOM 378 OE1 GLN A 192 29.077 5.703 -6.796 1.00 21.25 O ATOM 379 NE2 GLN A 192 27.862 5.748 -8.683 1.00 31.45 N ATOM 0 H GLN A 192 27.955 11.693 -7.364 1.00 42.11 H new ATOM 0 HA GLN A 192 26.275 9.566 -8.447 1.00 35.51 H new ATOM 0 HB2 GLN A 192 28.506 8.552 -8.486 1.00 52.41 H new ATOM 0 HB3 GLN A 192 28.811 9.072 -6.840 1.00 52.41 H new ATOM 0 HG2 GLN A 192 27.443 7.452 -5.912 1.00 53.30 H new ATOM 0 HG3 GLN A 192 26.399 7.362 -7.317 1.00 53.30 H new ATOM 0 HE21 GLN A 192 27.127 6.206 -9.222 1.00 31.45 H new ATOM 0 HE22 GLN A 192 28.339 4.930 -9.063 1.00 31.45 H new ATOM 388 N LEU A 193 24.978 9.705 -6.352 1.00 74.05 N ATOM 389 CA LEU A 193 24.154 9.859 -5.158 1.00 64.31 C ATOM 390 C LEU A 193 24.842 9.249 -3.940 1.00 4.30 C ATOM 391 O LEU A 193 25.615 8.298 -4.063 1.00 71.20 O ATOM 392 CB LEU A 193 22.789 9.203 -5.367 1.00 74.55 C ATOM 393 CG LEU A 193 21.573 10.046 -4.982 1.00 13.14 C ATOM 394 CD1 LEU A 193 20.342 9.590 -5.749 1.00 51.22 C ATOM 395 CD2 LEU A 193 21.326 9.970 -3.481 1.00 40.33 C ATOM 0 H LEU A 193 24.491 9.298 -7.150 1.00 74.05 H new ATOM 0 HA LEU A 193 24.014 10.925 -4.979 1.00 64.31 H new ATOM 0 HB2 LEU A 193 22.697 8.928 -6.418 1.00 74.55 H new ATOM 0 HB3 LEU A 193 22.761 8.277 -4.792 1.00 74.55 H new ATOM 0 HG LEU A 193 21.776 11.084 -5.246 1.00 13.14 H new ATOM 0 HD11 LEU A 193 19.487 10.202 -5.462 1.00 51.22 H new ATOM 0 HD12 LEU A 193 20.520 9.696 -6.819 1.00 51.22 H new ATOM 0 HD13 LEU A 193 20.135 8.545 -5.517 1.00 51.22 H new ATOM 0 HD21 LEU A 193 20.457 10.576 -3.224 1.00 40.33 H new ATOM 0 HD22 LEU A 193 21.144 8.934 -3.194 1.00 40.33 H new ATOM 0 HD23 LEU A 193 22.200 10.346 -2.949 1.00 40.33 H new ATOM 407 N ILE A 194 24.555 9.801 -2.767 1.00 13.21 N ATOM 408 CA ILE A 194 25.144 9.310 -1.527 1.00 42.30 C ATOM 409 C ILE A 194 24.267 9.654 -0.328 1.00 51.53 C ATOM 410 O ILE A 194 23.680 10.734 -0.301 1.00 11.41 O ATOM 411 CB ILE A 194 26.552 9.892 -1.303 1.00 14.50 C ATOM 412 CG1 ILE A 194 26.582 11.373 -1.690 1.00 1.34 C ATOM 413 CG2 ILE A 194 27.582 9.110 -2.104 1.00 3.14 C ATOM 414 CD1 ILE A 194 27.382 12.231 -0.733 1.00 65.24 C ATOM 0 H ILE A 194 23.918 10.589 -2.648 1.00 13.21 H new ATOM 0 HA ILE A 194 25.219 8.227 -1.621 1.00 42.30 H new ATOM 0 HB ILE A 194 26.801 9.806 -0.245 1.00 14.50 H new ATOM 0 HG12 ILE A 194 27.002 11.470 -2.691 1.00 1.34 H new ATOM 0 HG13 ILE A 194 25.560 11.749 -1.735 1.00 1.34 H new ATOM 0 HG21 ILE A 194 28.572 9.533 -1.935 1.00 3.14 H new ATOM 0 HG22 ILE A 194 27.574 8.067 -1.787 1.00 3.14 H new ATOM 0 HG23 ILE A 194 27.339 9.168 -3.165 1.00 3.14 H new ATOM 0 HD11 ILE A 194 27.360 13.268 -1.069 1.00 65.24 H new ATOM 0 HD12 ILE A 194 26.949 12.163 0.265 1.00 65.24 H new ATOM 0 HD13 ILE A 194 28.414 11.880 -0.705 1.00 65.24 H new ATOM 426 N CYS A 195 24.200 8.740 0.628 1.00 33.25 N ATOM 427 CA CYS A 195 23.396 8.959 1.819 1.00 40.21 C ATOM 428 C CYS A 195 24.317 9.456 2.935 1.00 21.40 C ATOM 429 O CYS A 195 25.508 9.698 2.740 1.00 14.01 O ATOM 430 CB CYS A 195 22.632 7.698 2.226 1.00 10.45 C ATOM 431 SG CYS A 195 23.806 6.409 2.784 1.00 35.33 S ATOM 0 H CYS A 195 24.689 7.845 0.603 1.00 33.25 H new ATOM 0 HA CYS A 195 22.636 9.713 1.615 1.00 40.21 H new ATOM 0 HB2 CYS A 195 21.928 7.931 3.025 1.00 10.45 H new ATOM 0 HB3 CYS A 195 22.047 7.329 1.383 1.00 10.45 H new ATOM 436 N ALA A 196 23.733 9.601 4.121 1.00 42.32 N ATOM 437 CA ALA A 196 24.478 10.063 5.286 1.00 11.10 C ATOM 438 C ALA A 196 25.429 8.984 5.792 1.00 44.41 C ATOM 439 O ALA A 196 26.515 9.284 6.290 1.00 5.23 O ATOM 440 CB ALA A 196 23.519 10.485 6.391 1.00 63.51 C ATOM 0 H ALA A 196 22.748 9.405 4.300 1.00 42.32 H new ATOM 0 HA ALA A 196 25.074 10.925 4.988 1.00 11.10 H new ATOM 0 HB1 ALA A 196 24.088 10.828 7.255 1.00 63.51 H new ATOM 0 HB2 ALA A 196 22.883 11.294 6.031 1.00 63.51 H new ATOM 0 HB3 ALA A 196 22.899 9.636 6.678 1.00 63.51 H new ATOM 446 N LEU A 197 25.016 7.729 5.662 1.00 61.22 N ATOM 447 CA LEU A 197 25.832 6.604 6.107 1.00 54.14 C ATOM 448 C LEU A 197 27.090 6.473 5.254 1.00 73.04 C ATOM 449 O LEU A 197 28.083 5.923 5.726 1.00 13.15 O ATOM 450 CB LEU A 197 25.024 5.307 6.046 1.00 22.42 C ATOM 451 CG LEU A 197 25.262 4.314 7.185 1.00 1.40 C ATOM 452 CD1 LEU A 197 24.070 4.289 8.129 1.00 73.10 C ATOM 453 CD2 LEU A 197 25.536 2.924 6.632 1.00 34.34 C ATOM 0 H LEU A 197 24.121 7.464 5.252 1.00 61.22 H new ATOM 0 HA LEU A 197 26.132 6.790 7.138 1.00 54.14 H new ATOM 0 HB2 LEU A 197 23.965 5.563 6.029 1.00 22.42 H new ATOM 0 HB3 LEU A 197 25.246 4.808 5.103 1.00 22.42 H new ATOM 0 HG LEU A 197 26.138 4.638 7.747 1.00 1.40 H new ATOM 0 HD11 LEU A 197 24.257 3.577 8.933 1.00 73.10 H new ATOM 0 HD12 LEU A 197 23.920 5.282 8.552 1.00 73.10 H new ATOM 0 HD13 LEU A 197 23.177 3.990 7.580 1.00 73.10 H new ATOM 0 HD21 LEU A 197 25.703 2.231 7.456 1.00 34.34 H new ATOM 0 HD22 LEU A 197 24.680 2.591 6.045 1.00 34.34 H new ATOM 0 HD23 LEU A 197 26.422 2.953 5.997 1.00 34.34 H new ATOM 465 N CYS A 198 27.022 6.978 4.031 1.00 33.41 N ATOM 466 CA CYS A 198 28.160 6.913 3.130 1.00 73.02 C ATOM 467 C CYS A 198 29.122 8.047 3.489 1.00 13.02 C ATOM 468 O CYS A 198 30.341 7.942 3.345 1.00 74.21 O ATOM 469 CB CYS A 198 27.726 6.975 1.664 1.00 43.32 C ATOM 470 SG CYS A 198 27.085 5.346 1.132 1.00 53.53 S ATOM 0 H CYS A 198 26.196 7.434 3.643 1.00 33.41 H new ATOM 0 HA CYS A 198 28.667 5.956 3.250 1.00 73.02 H new ATOM 0 HB2 CYS A 198 26.957 7.737 1.536 1.00 43.32 H new ATOM 0 HB3 CYS A 198 28.570 7.265 1.038 1.00 43.32 H new ATOM 475 N LYS A 199 28.543 9.145 3.964 1.00 42.12 N ATOM 476 CA LYS A 199 29.323 10.313 4.355 1.00 45.55 C ATOM 477 C LYS A 199 29.987 10.097 5.711 1.00 14.01 C ATOM 478 O LYS A 199 30.916 10.816 6.081 1.00 62.53 O ATOM 479 CB LYS A 199 28.429 11.555 4.404 1.00 23.32 C ATOM 480 CG LYS A 199 27.846 11.939 3.056 1.00 71.34 C ATOM 481 CD LYS A 199 26.753 12.985 3.199 1.00 42.44 C ATOM 482 CE LYS A 199 27.321 14.395 3.137 1.00 62.02 C ATOM 483 NZ LYS A 199 26.247 15.427 3.142 1.00 60.34 N ATOM 0 H LYS A 199 27.536 9.250 4.087 1.00 42.12 H new ATOM 0 HA LYS A 199 30.104 10.463 3.609 1.00 45.55 H new ATOM 0 HB2 LYS A 199 27.614 11.378 5.106 1.00 23.32 H new ATOM 0 HB3 LYS A 199 29.007 12.393 4.792 1.00 23.32 H new ATOM 0 HG2 LYS A 199 28.637 12.324 2.413 1.00 71.34 H new ATOM 0 HG3 LYS A 199 27.441 11.053 2.568 1.00 71.34 H new ATOM 0 HD2 LYS A 199 26.016 12.853 2.407 1.00 42.44 H new ATOM 0 HD3 LYS A 199 26.233 12.842 4.146 1.00 42.44 H new ATOM 0 HE2 LYS A 199 27.984 14.557 3.987 1.00 62.02 H new ATOM 0 HE3 LYS A 199 27.925 14.504 2.236 1.00 62.02 H new ATOM 0 HZ1 LYS A 199 26.675 16.374 3.099 1.00 60.34 H new ATOM 0 HZ2 LYS A 199 25.629 15.289 2.317 1.00 60.34 H new ATOM 0 HZ3 LYS A 199 25.686 15.340 4.014 1.00 60.34 H new ATOM 497 N LEU A 200 29.505 9.103 6.448 1.00 72.43 N ATOM 498 CA LEU A 200 30.053 8.789 7.763 1.00 40.15 C ATOM 499 C LEU A 200 30.903 7.524 7.711 1.00 4.11 C ATOM 500 O LEU A 200 32.004 7.480 8.262 1.00 71.32 O ATOM 501 CB LEU A 200 28.924 8.617 8.780 1.00 53.33 C ATOM 502 CG LEU A 200 29.174 9.210 10.167 1.00 63.10 C ATOM 503 CD1 LEU A 200 29.233 10.728 10.097 1.00 34.31 C ATOM 504 CD2 LEU A 200 28.095 8.760 11.142 1.00 3.41 C ATOM 0 H LEU A 200 28.735 8.500 6.157 1.00 72.43 H new ATOM 0 HA LEU A 200 30.689 9.619 8.072 1.00 40.15 H new ATOM 0 HB2 LEU A 200 28.021 9.070 8.371 1.00 53.33 H new ATOM 0 HB3 LEU A 200 28.723 7.552 8.893 1.00 53.33 H new ATOM 0 HG LEU A 200 30.136 8.847 10.528 1.00 63.10 H new ATOM 0 HD11 LEU A 200 29.412 11.132 11.094 1.00 34.31 H new ATOM 0 HD12 LEU A 200 30.043 11.030 9.433 1.00 34.31 H new ATOM 0 HD13 LEU A 200 28.287 11.112 9.714 1.00 34.31 H new ATOM 0 HD21 LEU A 200 28.289 9.192 12.124 1.00 3.41 H new ATOM 0 HD22 LEU A 200 27.120 9.093 10.785 1.00 3.41 H new ATOM 0 HD23 LEU A 200 28.102 7.673 11.216 1.00 3.41 H new ATOM 516 N VAL A 201 30.387 6.497 7.043 1.00 2.11 N ATOM 517 CA VAL A 201 31.101 5.232 6.916 1.00 72.41 C ATOM 518 C VAL A 201 31.988 5.224 5.676 1.00 4.21 C ATOM 519 O VAL A 201 33.130 4.769 5.720 1.00 21.14 O ATOM 520 CB VAL A 201 30.125 4.042 6.843 1.00 43.52 C ATOM 521 CG1 VAL A 201 30.889 2.730 6.747 1.00 41.22 C ATOM 522 CG2 VAL A 201 29.196 4.040 8.047 1.00 54.43 C ATOM 0 H VAL A 201 29.478 6.516 6.582 1.00 2.11 H new ATOM 0 HA VAL A 201 31.723 5.129 7.805 1.00 72.41 H new ATOM 0 HB VAL A 201 29.517 4.148 5.944 1.00 43.52 H new ATOM 0 HG11 VAL A 201 30.183 1.901 6.696 1.00 41.22 H new ATOM 0 HG12 VAL A 201 31.509 2.734 5.850 1.00 41.22 H new ATOM 0 HG13 VAL A 201 31.523 2.613 7.626 1.00 41.22 H new ATOM 0 HG21 VAL A 201 28.514 3.193 7.979 1.00 54.43 H new ATOM 0 HG22 VAL A 201 29.785 3.959 8.961 1.00 54.43 H new ATOM 0 HG23 VAL A 201 28.623 4.967 8.066 1.00 54.43 H new ATOM 532 N GLY A 202 31.455 5.733 4.570 1.00 70.25 N ATOM 533 CA GLY A 202 32.213 5.774 3.333 1.00 54.24 C ATOM 534 C GLY A 202 33.315 6.813 3.363 1.00 2.44 C ATOM 535 O GLY A 202 33.898 7.079 4.414 1.00 45.32 O ATOM 0 H GLY A 202 30.512 6.118 4.508 1.00 70.25 H new ATOM 0 HA2 GLY A 202 32.648 4.793 3.144 1.00 54.24 H new ATOM 0 HA3 GLY A 202 31.538 5.988 2.504 1.00 54.24 H new ATOM 539 N ARG A 203 33.604 7.403 2.207 1.00 34.44 N ATOM 540 CA ARG A 203 34.647 8.416 2.105 1.00 55.21 C ATOM 541 C ARG A 203 34.110 9.686 1.450 1.00 32.13 C ATOM 542 O ARG A 203 34.872 10.490 0.914 1.00 40.22 O ATOM 543 CB ARG A 203 35.833 7.878 1.302 1.00 54.12 C ATOM 544 CG ARG A 203 37.126 7.810 2.098 1.00 4.15 C ATOM 545 CD ARG A 203 37.938 6.577 1.736 1.00 63.04 C ATOM 546 NE ARG A 203 37.880 5.556 2.779 1.00 32.00 N ATOM 547 CZ ARG A 203 38.630 5.582 3.875 1.00 52.02 C ATOM 548 NH1 ARG A 203 39.491 6.572 4.070 1.00 74.44 N ATOM 549 NH2 ARG A 203 38.519 4.618 4.780 1.00 62.12 N ATOM 0 H ARG A 203 33.130 7.196 1.328 1.00 34.44 H new ATOM 0 HA ARG A 203 34.980 8.661 3.113 1.00 55.21 H new ATOM 0 HB2 ARG A 203 35.590 6.881 0.934 1.00 54.12 H new ATOM 0 HB3 ARG A 203 35.987 8.511 0.428 1.00 54.12 H new ATOM 0 HG2 ARG A 203 37.718 8.705 1.909 1.00 4.15 H new ATOM 0 HG3 ARG A 203 36.898 7.797 3.164 1.00 4.15 H new ATOM 0 HD2 ARG A 203 37.566 6.160 0.800 1.00 63.04 H new ATOM 0 HD3 ARG A 203 38.976 6.864 1.567 1.00 63.04 H new ATOM 0 HE ARG A 203 37.228 4.781 2.659 1.00 32.00 H new ATOM 0 HH11 ARG A 203 39.578 7.316 3.377 1.00 74.44 H new ATOM 0 HH12 ARG A 203 40.066 6.590 4.913 1.00 74.44 H new ATOM 0 HH21 ARG A 203 37.857 3.856 4.635 1.00 62.12 H new ATOM 0 HH22 ARG A 203 39.096 4.639 5.621 1.00 62.12 H new ATOM 563 N HIS A 204 32.792 9.857 1.498 1.00 41.51 N ATOM 564 CA HIS A 204 32.152 11.029 0.910 1.00 64.23 C ATOM 565 C HIS A 204 31.915 12.106 1.963 1.00 34.44 C ATOM 566 O HIS A 204 30.875 12.765 1.968 1.00 42.51 O ATOM 567 CB HIS A 204 30.827 10.638 0.255 1.00 20.00 C ATOM 568 CG HIS A 204 30.960 9.541 -0.756 1.00 74.02 C ATOM 569 ND1 HIS A 204 31.414 9.754 -2.041 1.00 72.20 N ATOM 570 CD2 HIS A 204 30.695 8.217 -0.666 1.00 24.21 C ATOM 571 CE1 HIS A 204 31.421 8.607 -2.697 1.00 44.41 C ATOM 572 NE2 HIS A 204 30.990 7.658 -1.885 1.00 43.51 N ATOM 0 H HIS A 204 32.147 9.200 1.937 1.00 41.51 H new ATOM 0 HA HIS A 204 32.820 11.433 0.149 1.00 64.23 H new ATOM 0 HB2 HIS A 204 30.127 10.324 1.029 1.00 20.00 H new ATOM 0 HB3 HIS A 204 30.397 11.516 -0.228 1.00 20.00 H new ATOM 0 HD2 HIS A 204 30.321 7.697 0.203 1.00 24.21 H new ATOM 0 HE1 HIS A 204 31.727 8.469 -3.723 1.00 44.41 H new ATOM 0 HE2 HIS A 204 30.892 6.671 -2.125 1.00 43.51 H new ATOM 579 N ARG A 205 32.885 12.278 2.857 1.00 72.31 N ATOM 580 CA ARG A 205 32.780 13.273 3.917 1.00 33.22 C ATOM 581 C ARG A 205 33.443 14.582 3.502 1.00 42.44 C ATOM 582 O ARG A 205 32.924 15.665 3.769 1.00 3.31 O ATOM 583 CB ARG A 205 33.421 12.748 5.203 1.00 64.12 C ATOM 584 CG ARG A 205 34.891 12.391 5.049 1.00 74.23 C ATOM 585 CD ARG A 205 35.452 11.780 6.323 1.00 10.33 C ATOM 586 NE ARG A 205 35.879 12.800 7.277 1.00 5.22 N ATOM 587 CZ ARG A 205 36.939 13.580 7.093 1.00 34.33 C ATOM 588 NH1 ARG A 205 37.674 13.457 5.998 1.00 62.35 N ATOM 589 NH2 ARG A 205 37.264 14.485 8.008 1.00 40.04 N ATOM 0 H ARG A 205 33.752 11.741 2.867 1.00 72.31 H new ATOM 0 HA ARG A 205 31.722 13.464 4.098 1.00 33.22 H new ATOM 0 HB2 ARG A 205 33.319 13.502 5.984 1.00 64.12 H new ATOM 0 HB3 ARG A 205 32.875 11.866 5.538 1.00 64.12 H new ATOM 0 HG2 ARG A 205 35.012 11.689 4.224 1.00 74.23 H new ATOM 0 HG3 ARG A 205 35.459 13.285 4.792 1.00 74.23 H new ATOM 0 HD2 ARG A 205 34.695 11.146 6.785 1.00 10.33 H new ATOM 0 HD3 ARG A 205 36.298 11.138 6.076 1.00 10.33 H new ATOM 0 HE ARG A 205 35.334 12.920 8.131 1.00 5.22 H new ATOM 0 HH11 ARG A 205 37.427 12.762 5.293 1.00 62.35 H new ATOM 0 HH12 ARG A 205 38.487 14.057 5.859 1.00 62.35 H new ATOM 0 HH21 ARG A 205 36.700 14.582 8.852 1.00 40.04 H new ATOM 0 HH22 ARG A 205 38.078 15.084 7.867 1.00 40.04 H new ATOM 603 N ASP A 206 34.595 14.474 2.846 1.00 13.15 N ATOM 604 CA ASP A 206 35.330 15.649 2.394 1.00 60.13 C ATOM 605 C ASP A 206 34.974 15.988 0.950 1.00 14.40 C ATOM 606 O ASP A 206 35.583 16.868 0.340 1.00 2.23 O ATOM 607 CB ASP A 206 36.836 15.414 2.519 1.00 1.00 C ATOM 608 CG ASP A 206 37.535 16.528 3.272 1.00 54.42 C ATOM 609 OD1 ASP A 206 37.005 16.964 4.316 1.00 43.04 O ATOM 610 OD2 ASP A 206 38.613 16.966 2.817 1.00 54.31 O ATOM 0 H ASP A 206 35.039 13.585 2.616 1.00 13.15 H new ATOM 0 HA ASP A 206 35.048 16.490 3.027 1.00 60.13 H new ATOM 0 HB2 ASP A 206 37.012 14.468 3.030 1.00 1.00 H new ATOM 0 HB3 ASP A 206 37.271 15.324 1.523 1.00 1.00 H new ATOM 615 N HIS A 207 33.984 15.286 0.408 1.00 72.11 N ATOM 616 CA HIS A 207 33.546 15.513 -0.964 1.00 45.42 C ATOM 617 C HIS A 207 32.567 16.681 -1.036 1.00 63.34 C ATOM 618 O HIS A 207 32.310 17.349 -0.036 1.00 35.24 O ATOM 619 CB HIS A 207 32.897 14.251 -1.532 1.00 21.24 C ATOM 620 CG HIS A 207 33.852 13.110 -1.702 1.00 45.12 C ATOM 621 ND1 HIS A 207 33.494 11.907 -2.274 1.00 3.34 N ATOM 622 CD2 HIS A 207 35.161 12.996 -1.376 1.00 24.45 C ATOM 623 CE1 HIS A 207 34.540 11.100 -2.288 1.00 54.43 C ATOM 624 NE2 HIS A 207 35.564 11.737 -1.750 1.00 22.30 N ATOM 0 H HIS A 207 33.470 14.555 0.899 1.00 72.11 H new ATOM 0 HA HIS A 207 34.423 15.760 -1.562 1.00 45.42 H new ATOM 0 HB2 HIS A 207 32.087 13.941 -0.872 1.00 21.24 H new ATOM 0 HB3 HIS A 207 32.449 14.486 -2.498 1.00 21.24 H new ATOM 0 HD2 HIS A 207 35.774 13.753 -0.909 1.00 24.45 H new ATOM 0 HE1 HIS A 207 34.555 10.091 -2.674 1.00 54.43 H new ATOM 0 HE2 HIS A 207 36.503 11.356 -1.631 1.00 22.30 H new ATOM 631 N GLN A 208 32.024 16.919 -2.226 1.00 5.04 N ATOM 632 CA GLN A 208 31.073 18.007 -2.427 1.00 64.42 C ATOM 633 C GLN A 208 29.710 17.467 -2.847 1.00 62.14 C ATOM 634 O GLN A 208 29.619 16.448 -3.532 1.00 71.24 O ATOM 635 CB GLN A 208 31.597 18.981 -3.483 1.00 33.21 C ATOM 636 CG GLN A 208 32.179 20.258 -2.897 1.00 61.11 C ATOM 637 CD GLN A 208 31.146 21.086 -2.160 1.00 52.51 C ATOM 638 OE1 GLN A 208 31.001 20.978 -0.942 1.00 41.52 O ATOM 639 NE2 GLN A 208 30.421 21.920 -2.896 1.00 75.21 N ATOM 0 H GLN A 208 32.226 16.374 -3.064 1.00 5.04 H new ATOM 0 HA GLN A 208 30.958 18.536 -1.481 1.00 64.42 H new ATOM 0 HB2 GLN A 208 32.362 18.482 -4.078 1.00 33.21 H new ATOM 0 HB3 GLN A 208 30.784 19.240 -4.162 1.00 33.21 H new ATOM 0 HG2 GLN A 208 32.989 20.003 -2.214 1.00 61.11 H new ATOM 0 HG3 GLN A 208 32.614 20.856 -3.698 1.00 61.11 H new ATOM 0 HE21 GLN A 208 30.575 21.977 -3.903 1.00 75.21 H new ATOM 0 HE22 GLN A 208 29.710 22.504 -2.455 1.00 75.21 H new ATOM 648 N VAL A 209 28.652 18.156 -2.431 1.00 2.41 N ATOM 649 CA VAL A 209 27.294 17.747 -2.765 1.00 62.44 C ATOM 650 C VAL A 209 26.424 18.952 -3.102 1.00 54.44 C ATOM 651 O VAL A 209 26.913 20.078 -3.193 1.00 74.44 O ATOM 652 CB VAL A 209 26.643 16.965 -1.609 1.00 3.25 C ATOM 653 CG1 VAL A 209 27.504 15.774 -1.217 1.00 50.13 C ATOM 654 CG2 VAL A 209 26.408 17.879 -0.415 1.00 34.52 C ATOM 0 H VAL A 209 28.710 19.000 -1.862 1.00 2.41 H new ATOM 0 HA VAL A 209 27.365 17.098 -3.638 1.00 62.44 H new ATOM 0 HB VAL A 209 25.677 16.589 -1.946 1.00 3.25 H new ATOM 0 HG11 VAL A 209 27.027 15.234 -0.399 1.00 50.13 H new ATOM 0 HG12 VAL A 209 27.617 15.109 -2.073 1.00 50.13 H new ATOM 0 HG13 VAL A 209 28.486 16.124 -0.898 1.00 50.13 H new ATOM 0 HG21 VAL A 209 25.947 17.311 0.393 1.00 34.52 H new ATOM 0 HG22 VAL A 209 27.360 18.286 -0.075 1.00 34.52 H new ATOM 0 HG23 VAL A 209 25.748 18.696 -0.706 1.00 34.52 H new ATOM 664 N ALA A 210 25.130 18.709 -3.286 1.00 72.25 N ATOM 665 CA ALA A 210 24.190 19.775 -3.611 1.00 23.31 C ATOM 666 C ALA A 210 23.317 20.122 -2.410 1.00 25.21 C ATOM 667 O ALA A 210 23.576 19.675 -1.293 1.00 24.41 O ATOM 668 CB ALA A 210 23.325 19.372 -4.795 1.00 42.13 C ATOM 0 H ALA A 210 24.709 17.783 -3.215 1.00 72.25 H new ATOM 0 HA ALA A 210 24.763 20.662 -3.879 1.00 23.31 H new ATOM 0 HB1 ALA A 210 22.628 20.177 -5.027 1.00 42.13 H new ATOM 0 HB2 ALA A 210 23.959 19.181 -5.661 1.00 42.13 H new ATOM 0 HB3 ALA A 210 22.767 18.469 -4.547 1.00 42.13 H new ATOM 674 N ALA A 211 22.283 20.922 -2.647 1.00 4.34 N ATOM 675 CA ALA A 211 21.373 21.329 -1.584 1.00 74.23 C ATOM 676 C ALA A 211 20.001 21.689 -2.145 1.00 40.31 C ATOM 677 O ALA A 211 19.892 22.235 -3.244 1.00 60.22 O ATOM 678 CB ALA A 211 21.954 22.505 -0.812 1.00 73.52 C ATOM 0 H ALA A 211 22.055 21.301 -3.566 1.00 4.34 H new ATOM 0 HA ALA A 211 21.250 20.487 -0.903 1.00 74.23 H new ATOM 0 HB1 ALA A 211 21.263 22.798 -0.021 1.00 73.52 H new ATOM 0 HB2 ALA A 211 22.908 22.215 -0.372 1.00 73.52 H new ATOM 0 HB3 ALA A 211 22.107 23.345 -1.490 1.00 73.52 H new ATOM 684 N LEU A 212 18.957 21.380 -1.385 1.00 32.32 N ATOM 685 CA LEU A 212 17.591 21.669 -1.806 1.00 22.41 C ATOM 686 C LEU A 212 17.337 23.173 -1.838 1.00 22.02 C ATOM 687 O LEU A 212 18.152 23.960 -1.357 1.00 64.12 O ATOM 688 CB LEU A 212 16.592 20.991 -0.867 1.00 30.23 C ATOM 689 CG LEU A 212 15.784 19.838 -1.465 1.00 41.25 C ATOM 690 CD1 LEU A 212 16.315 18.501 -0.972 1.00 1.44 C ATOM 691 CD2 LEU A 212 14.309 19.987 -1.122 1.00 54.54 C ATOM 0 H LEU A 212 19.030 20.929 -0.473 1.00 32.32 H new ATOM 0 HA LEU A 212 17.457 21.275 -2.814 1.00 22.41 H new ATOM 0 HB2 LEU A 212 17.136 20.616 -0.000 1.00 30.23 H new ATOM 0 HB3 LEU A 212 15.895 21.746 -0.504 1.00 30.23 H new ATOM 0 HG LEU A 212 15.890 19.870 -2.549 1.00 41.25 H new ATOM 0 HD11 LEU A 212 15.728 17.693 -1.408 1.00 1.44 H new ATOM 0 HD12 LEU A 212 17.358 18.392 -1.269 1.00 1.44 H new ATOM 0 HD13 LEU A 212 16.240 18.458 0.115 1.00 1.44 H new ATOM 0 HD21 LEU A 212 13.749 19.158 -1.555 1.00 54.54 H new ATOM 0 HD22 LEU A 212 14.185 19.982 -0.039 1.00 54.54 H new ATOM 0 HD23 LEU A 212 13.935 20.928 -1.526 1.00 54.54 H new ATOM 703 N SER A 213 16.200 23.564 -2.404 1.00 41.22 N ATOM 704 CA SER A 213 15.840 24.974 -2.500 1.00 13.13 C ATOM 705 C SER A 213 14.327 25.142 -2.597 1.00 73.12 C ATOM 706 O SER A 213 13.636 24.308 -3.181 1.00 54.40 O ATOM 707 CB SER A 213 16.515 25.614 -3.716 1.00 31.45 C ATOM 708 OG SER A 213 16.057 25.025 -4.921 1.00 23.42 O ATOM 0 H SER A 213 15.512 22.925 -2.803 1.00 41.22 H new ATOM 0 HA SER A 213 16.187 25.475 -1.596 1.00 13.13 H new ATOM 0 HB2 SER A 213 16.309 26.684 -3.729 1.00 31.45 H new ATOM 0 HB3 SER A 213 17.596 25.498 -3.639 1.00 31.45 H new ATOM 0 HG SER A 213 16.501 25.452 -5.683 1.00 23.42 H new ATOM 714 N GLU A 214 13.820 26.227 -2.019 1.00 45.21 N ATOM 715 CA GLU A 214 12.389 26.506 -2.040 1.00 73.23 C ATOM 716 C GLU A 214 11.598 25.331 -1.470 1.00 52.51 C ATOM 717 O GLU A 214 10.629 25.522 -0.736 1.00 24.01 O ATOM 718 CB GLU A 214 11.926 26.801 -3.468 1.00 55.20 C ATOM 719 CG GLU A 214 10.967 27.977 -3.566 1.00 30.52 C ATOM 720 CD GLU A 214 10.396 28.150 -4.960 1.00 31.10 C ATOM 721 OE1 GLU A 214 9.521 27.347 -5.347 1.00 43.23 O ATOM 722 OE2 GLU A 214 10.825 29.088 -5.664 1.00 72.22 O ATOM 0 H GLU A 214 14.379 26.927 -1.531 1.00 45.21 H new ATOM 0 HA GLU A 214 12.206 27.382 -1.418 1.00 73.23 H new ATOM 0 HB2 GLU A 214 12.798 27.002 -4.090 1.00 55.20 H new ATOM 0 HB3 GLU A 214 11.442 25.913 -3.875 1.00 55.20 H new ATOM 0 HG2 GLU A 214 10.150 27.835 -2.858 1.00 30.52 H new ATOM 0 HG3 GLU A 214 11.486 28.890 -3.274 1.00 30.52 H new TER 729 GLU A 214 HETATM 730 ZN ZN A1175 24.772 4.587 1.460 1.00 42.34 ZN HETATM 731 ZN ZN A1187 31.559 11.614 -2.959 1.00 42.01 ZN