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 -10:sc= 0.796 USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 174 MET CE :methyl -179:sc= 0 (180deg=-0.00288) 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 -159:sc= -0.456 (180deg=-1.2) USER MOD Single : A 186 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 189 THR OG1 : rot 170:sc= 0.109 USER MOD Single : A 192 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.5) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 213 SER OG : rot 180:sc= 0.0211 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 7.667 3.458 -7.855 1.00 20.15 N ATOM 2 CA SER A 168 6.310 3.094 -8.246 1.00 63.33 C ATOM 3 C SER A 168 5.546 2.499 -7.068 1.00 12.12 C ATOM 4 O SER A 168 4.327 2.646 -6.965 1.00 13.32 O ATOM 5 CB SER A 168 6.343 2.096 -9.405 1.00 33.41 C ATOM 6 OG SER A 168 7.636 1.538 -9.562 1.00 52.32 O ATOM 0 HA SER A 168 5.795 3.999 -8.569 1.00 63.33 H new ATOM 0 HB2 SER A 168 5.620 1.301 -9.225 1.00 33.41 H new ATOM 0 HB3 SER A 168 6.045 2.595 -10.327 1.00 33.41 H new ATOM 0 HG SER A 168 8.275 2.031 -9.005 1.00 52.32 H new ATOM 12 N HIS A 169 6.269 1.825 -6.180 1.00 64.14 N ATOM 13 CA HIS A 169 5.661 1.207 -5.007 1.00 0.12 C ATOM 14 C HIS A 169 5.880 2.066 -3.765 1.00 51.31 C ATOM 15 O HIS A 169 4.937 2.369 -3.035 1.00 4.23 O ATOM 16 CB HIS A 169 6.238 -0.191 -4.783 1.00 42.34 C ATOM 17 CG HIS A 169 5.649 -1.233 -5.683 1.00 74.40 C ATOM 18 ND1 HIS A 169 5.080 -2.398 -5.214 1.00 25.00 N ATOM 19 CD2 HIS A 169 5.540 -1.280 -7.031 1.00 4.50 C ATOM 20 CE1 HIS A 169 4.650 -3.118 -6.235 1.00 34.42 C ATOM 21 NE2 HIS A 169 4.917 -2.461 -7.349 1.00 55.32 N ATOM 0 H HIS A 169 7.278 1.693 -6.250 1.00 64.14 H new ATOM 0 HA HIS A 169 4.589 1.124 -5.186 1.00 0.12 H new ATOM 0 HB2 HIS A 169 7.317 -0.159 -4.936 1.00 42.34 H new ATOM 0 HB3 HIS A 169 6.071 -0.482 -3.746 1.00 42.34 H new ATOM 0 HD2 HIS A 169 5.880 -0.528 -7.727 1.00 4.50 H new ATOM 0 HE1 HIS A 169 4.163 -4.080 -6.170 1.00 34.42 H new ATOM 0 HE2 HIS A 169 4.696 -2.779 -8.293 1.00 55.32 H new ATOM 29 N ILE A 170 7.130 2.454 -3.534 1.00 22.14 N ATOM 30 CA ILE A 170 7.472 3.277 -2.381 1.00 11.12 C ATOM 31 C ILE A 170 8.224 4.534 -2.807 1.00 25.01 C ATOM 32 O ILE A 170 8.984 4.516 -3.774 1.00 63.32 O ATOM 33 CB ILE A 170 8.330 2.498 -1.366 1.00 41.51 C ATOM 34 CG1 ILE A 170 9.510 1.828 -2.072 1.00 41.30 C ATOM 35 CG2 ILE A 170 7.483 1.463 -0.641 1.00 11.44 C ATOM 36 CD1 ILE A 170 10.652 1.480 -1.143 1.00 13.14 C ATOM 0 H ILE A 170 7.922 2.212 -4.130 1.00 22.14 H new ATOM 0 HA ILE A 170 6.533 3.561 -1.907 1.00 11.12 H new ATOM 0 HB ILE A 170 8.722 3.199 -0.629 1.00 41.51 H new ATOM 0 HG12 ILE A 170 9.161 0.919 -2.562 1.00 41.30 H new ATOM 0 HG13 ILE A 170 9.878 2.491 -2.855 1.00 41.30 H new ATOM 0 HG21 ILE A 170 8.103 0.921 0.073 1.00 11.44 H new ATOM 0 HG22 ILE A 170 6.672 1.963 -0.111 1.00 11.44 H new ATOM 0 HG23 ILE A 170 7.066 0.763 -1.365 1.00 11.44 H new ATOM 0 HD11 ILE A 170 11.453 1.008 -1.712 1.00 13.14 H new ATOM 0 HD12 ILE A 170 11.028 2.388 -0.672 1.00 13.14 H new ATOM 0 HD13 ILE A 170 10.299 0.792 -0.375 1.00 13.14 H new ATOM 48 N ARG A 171 8.008 5.623 -2.076 1.00 74.12 N ATOM 49 CA ARG A 171 8.666 6.888 -2.377 1.00 42.15 C ATOM 50 C ARG A 171 9.630 7.278 -1.260 1.00 40.05 C ATOM 51 O ARG A 171 9.385 6.999 -0.088 1.00 12.11 O ATOM 52 CB ARG A 171 7.628 7.993 -2.577 1.00 74.35 C ATOM 53 CG ARG A 171 7.931 8.909 -3.752 1.00 71.42 C ATOM 54 CD ARG A 171 8.046 10.360 -3.311 1.00 45.20 C ATOM 55 NE ARG A 171 9.056 11.086 -4.077 1.00 0.51 N ATOM 56 CZ ARG A 171 8.903 11.433 -5.351 1.00 11.44 C ATOM 57 NH1 ARG A 171 7.788 11.122 -5.996 1.00 74.53 N ATOM 58 NH2 ARG A 171 9.867 12.093 -5.979 1.00 13.31 N ATOM 0 H ARG A 171 7.382 5.654 -1.271 1.00 74.12 H new ATOM 0 HA ARG A 171 9.235 6.762 -3.298 1.00 42.15 H new ATOM 0 HB2 ARG A 171 6.649 7.537 -2.726 1.00 74.35 H new ATOM 0 HB3 ARG A 171 7.567 8.591 -1.668 1.00 74.35 H new ATOM 0 HG2 ARG A 171 8.861 8.597 -4.228 1.00 71.42 H new ATOM 0 HG3 ARG A 171 7.144 8.816 -4.500 1.00 71.42 H new ATOM 0 HD2 ARG A 171 7.080 10.852 -3.427 1.00 45.20 H new ATOM 0 HD3 ARG A 171 8.298 10.398 -2.251 1.00 45.20 H new ATOM 0 HE ARG A 171 9.926 11.340 -3.609 1.00 0.51 H new ATOM 0 HH11 ARG A 171 7.045 10.615 -5.515 1.00 74.53 H new ATOM 0 HH12 ARG A 171 7.673 11.389 -6.974 1.00 74.53 H new ATOM 0 HH21 ARG A 171 10.726 12.334 -5.484 1.00 13.31 H new ATOM 0 HH22 ARG A 171 9.750 12.359 -6.957 1.00 13.31 H new ATOM 72 N GLY A 172 10.730 7.926 -1.635 1.00 42.50 N ATOM 73 CA GLY A 172 11.715 8.343 -0.655 1.00 33.32 C ATOM 74 C GLY A 172 13.125 8.338 -1.211 1.00 13.21 C ATOM 75 O GLY A 172 13.941 9.194 -0.864 1.00 30.30 O ATOM 0 H GLY A 172 10.956 8.169 -2.600 1.00 42.50 H new ATOM 0 HA2 GLY A 172 11.470 9.345 -0.302 1.00 33.32 H new ATOM 0 HA3 GLY A 172 11.666 7.680 0.209 1.00 33.32 H new ATOM 79 N LEU A 173 13.415 7.373 -2.075 1.00 73.32 N ATOM 80 CA LEU A 173 14.737 7.257 -2.679 1.00 44.21 C ATOM 81 C LEU A 173 15.797 6.976 -1.620 1.00 5.24 C ATOM 82 O LEU A 173 16.170 7.861 -0.850 1.00 30.03 O ATOM 83 CB LEU A 173 15.087 8.539 -3.439 1.00 15.43 C ATOM 84 CG LEU A 173 16.172 8.412 -4.507 1.00 71.32 C ATOM 85 CD1 LEU A 173 15.550 8.188 -5.877 1.00 31.13 C ATOM 86 CD2 LEU A 173 17.058 9.648 -4.519 1.00 14.54 C ATOM 0 H LEU A 173 12.751 6.658 -2.374 1.00 73.32 H new ATOM 0 HA LEU A 173 14.717 6.421 -3.378 1.00 44.21 H new ATOM 0 HB2 LEU A 173 14.181 8.915 -3.914 1.00 15.43 H new ATOM 0 HB3 LEU A 173 15.403 9.291 -2.716 1.00 15.43 H new ATOM 0 HG LEU A 173 16.791 7.548 -4.265 1.00 71.32 H new ATOM 0 HD11 LEU A 173 16.338 8.100 -6.625 1.00 31.13 H new ATOM 0 HD12 LEU A 173 14.959 7.272 -5.863 1.00 31.13 H new ATOM 0 HD13 LEU A 173 14.906 9.031 -6.126 1.00 31.13 H new ATOM 0 HD21 LEU A 173 17.825 9.539 -5.286 1.00 14.54 H new ATOM 0 HD22 LEU A 173 16.452 10.528 -4.734 1.00 14.54 H new ATOM 0 HD23 LEU A 173 17.533 9.764 -3.545 1.00 14.54 H new ATOM 98 N MET A 174 16.282 5.739 -1.587 1.00 74.21 N ATOM 99 CA MET A 174 17.302 5.342 -0.624 1.00 43.23 C ATOM 100 C MET A 174 18.637 5.094 -1.319 1.00 22.00 C ATOM 101 O MET A 174 18.772 5.419 -2.498 1.00 51.14 O ATOM 102 CB MET A 174 16.864 4.085 0.128 1.00 74.11 C ATOM 103 CG MET A 174 15.448 4.167 0.676 1.00 3.12 C ATOM 104 SD MET A 174 14.362 2.903 -0.010 1.00 43.14 S ATOM 105 CE MET A 174 13.221 2.663 1.349 1.00 54.10 C ATOM 0 H MET A 174 15.985 4.994 -2.217 1.00 74.21 H new ATOM 0 HA MET A 174 17.429 6.156 0.089 1.00 43.23 H new ATOM 0 HB2 MET A 174 16.937 3.227 -0.541 1.00 74.11 H new ATOM 0 HB3 MET A 174 17.554 3.906 0.952 1.00 74.11 H new ATOM 0 HG2 MET A 174 15.476 4.066 1.761 1.00 3.12 H new ATOM 0 HG3 MET A 174 15.035 5.152 0.458 1.00 3.12 H new ATOM 0 HE1 MET A 174 12.495 1.894 1.083 1.00 54.10 H new ATOM 0 HE2 MET A 174 13.772 2.351 2.236 1.00 54.10 H new ATOM 0 HE3 MET A 174 12.700 3.598 1.556 1.00 54.10 H new ATOM 115 N CYS A 175 19.584 4.531 -0.584 1.00 63.51 N ATOM 116 CA CYS A 175 20.896 4.247 -1.141 1.00 51.34 C ATOM 117 C CYS A 175 20.805 2.949 -1.946 1.00 20.03 C ATOM 118 O CYS A 175 19.889 2.142 -1.782 1.00 62.33 O ATOM 119 CB CYS A 175 21.969 4.171 -0.053 1.00 72.31 C ATOM 120 SG CYS A 175 23.458 5.096 -0.577 1.00 2.44 S ATOM 0 H CYS A 175 19.469 4.263 0.394 1.00 63.51 H new ATOM 0 HA CYS A 175 21.198 5.061 -1.800 1.00 51.34 H new ATOM 0 HB2 CYS A 175 21.583 4.584 0.879 1.00 72.31 H new ATOM 0 HB3 CYS A 175 22.227 3.130 0.142 1.00 72.31 H new ATOM 125 N LEU A 176 21.784 2.764 -2.825 1.00 4.23 N ATOM 126 CA LEU A 176 21.840 1.574 -3.668 1.00 42.53 C ATOM 127 C LEU A 176 22.082 0.324 -2.830 1.00 73.23 C ATOM 128 O LEU A 176 21.311 -0.634 -2.892 1.00 4.22 O ATOM 129 CB LEU A 176 22.943 1.721 -4.717 1.00 43.03 C ATOM 130 CG LEU A 176 22.483 2.083 -6.131 1.00 30.34 C ATOM 131 CD1 LEU A 176 22.157 3.565 -6.223 1.00 35.02 C ATOM 132 CD2 LEU A 176 23.547 1.704 -7.151 1.00 52.42 C ATOM 0 H LEU A 176 22.549 3.422 -2.973 1.00 4.23 H new ATOM 0 HA LEU A 176 20.879 1.470 -4.172 1.00 42.53 H new ATOM 0 HB2 LEU A 176 23.640 2.486 -4.377 1.00 43.03 H new ATOM 0 HB3 LEU A 176 23.497 0.784 -4.766 1.00 43.03 H new ATOM 0 HG LEU A 176 21.577 1.519 -6.354 1.00 30.34 H new ATOM 0 HD11 LEU A 176 21.832 3.804 -7.236 1.00 35.02 H new ATOM 0 HD12 LEU A 176 21.360 3.807 -5.519 1.00 35.02 H new ATOM 0 HD13 LEU A 176 23.045 4.149 -5.980 1.00 35.02 H new ATOM 0 HD21 LEU A 176 23.203 1.969 -8.151 1.00 52.42 H new ATOM 0 HD22 LEU A 176 24.470 2.241 -6.931 1.00 52.42 H new ATOM 0 HD23 LEU A 176 23.731 0.631 -7.103 1.00 52.42 H new ATOM 144 N GLU A 177 23.156 0.340 -2.047 1.00 52.41 N ATOM 145 CA GLU A 177 23.497 -0.793 -1.196 1.00 22.24 C ATOM 146 C GLU A 177 22.737 -0.729 0.126 1.00 64.10 C ATOM 147 O GLU A 177 22.373 -1.757 0.696 1.00 22.34 O ATOM 148 CB GLU A 177 25.004 -0.824 -0.930 1.00 32.31 C ATOM 149 CG GLU A 177 25.646 -2.169 -1.229 1.00 41.41 C ATOM 150 CD GLU A 177 27.130 -2.188 -0.917 1.00 1.45 C ATOM 151 OE1 GLU A 177 27.546 -1.486 0.029 1.00 21.13 O ATOM 152 OE2 GLU A 177 27.876 -2.902 -1.618 1.00 32.30 O ATOM 0 H GLU A 177 23.804 1.125 -1.985 1.00 52.41 H new ATOM 0 HA GLU A 177 23.208 -1.706 -1.717 1.00 22.24 H new ATOM 0 HB2 GLU A 177 25.487 -0.057 -1.535 1.00 32.31 H new ATOM 0 HB3 GLU A 177 25.186 -0.568 0.114 1.00 32.31 H new ATOM 0 HG2 GLU A 177 25.146 -2.944 -0.647 1.00 41.41 H new ATOM 0 HG3 GLU A 177 25.496 -2.413 -2.281 1.00 41.41 H new ATOM 159 N HIS A 178 22.503 0.487 0.609 1.00 53.24 N ATOM 160 CA HIS A 178 21.788 0.687 1.865 1.00 54.34 C ATOM 161 C HIS A 178 20.301 0.919 1.612 1.00 74.10 C ATOM 162 O HIS A 178 19.814 2.045 1.713 1.00 62.51 O ATOM 163 CB HIS A 178 22.379 1.872 2.629 1.00 51.40 C ATOM 164 CG HIS A 178 23.875 1.867 2.679 1.00 23.44 C ATOM 165 ND1 HIS A 178 24.645 2.955 2.326 1.00 34.13 N ATOM 166 CD2 HIS A 178 24.745 0.896 3.046 1.00 65.02 C ATOM 167 CE1 HIS A 178 25.923 2.654 2.472 1.00 31.40 C ATOM 168 NE2 HIS A 178 26.011 1.410 2.908 1.00 53.14 N ATOM 0 H HIS A 178 22.798 1.349 0.150 1.00 53.24 H new ATOM 0 HA HIS A 178 21.900 -0.215 2.467 1.00 54.34 H new ATOM 0 HB2 HIS A 178 22.043 2.798 2.163 1.00 51.40 H new ATOM 0 HB3 HIS A 178 21.990 1.868 3.647 1.00 51.40 H new ATOM 0 HD2 HIS A 178 24.490 -0.098 3.384 1.00 65.02 H new ATOM 0 HE1 HIS A 178 26.754 3.313 2.269 1.00 31.40 H new ATOM 0 HE2 HIS A 178 26.878 0.912 3.109 1.00 53.14 H new ATOM 175 N GLU A 179 19.587 -0.153 1.284 1.00 34.24 N ATOM 176 CA GLU A 179 18.156 -0.064 1.016 1.00 13.13 C ATOM 177 C GLU A 179 17.390 0.335 2.275 1.00 21.21 C ATOM 178 O GLU A 179 16.302 0.903 2.197 1.00 12.20 O ATOM 179 CB GLU A 179 17.630 -1.400 0.488 1.00 51.14 C ATOM 180 CG GLU A 179 17.049 -1.314 -0.914 1.00 40.11 C ATOM 181 CD GLU A 179 17.762 -2.222 -1.898 1.00 10.25 C ATOM 182 OE1 GLU A 179 17.945 -3.415 -1.577 1.00 51.02 O ATOM 183 OE2 GLU A 179 18.138 -1.739 -2.987 1.00 14.04 O ATOM 0 H GLU A 179 19.975 -1.092 1.197 1.00 34.24 H new ATOM 0 HA GLU A 179 18.001 0.704 0.259 1.00 13.13 H new ATOM 0 HB2 GLU A 179 18.442 -2.128 0.492 1.00 51.14 H new ATOM 0 HB3 GLU A 179 16.864 -1.773 1.167 1.00 51.14 H new ATOM 0 HG2 GLU A 179 15.992 -1.578 -0.882 1.00 40.11 H new ATOM 0 HG3 GLU A 179 17.110 -0.284 -1.266 1.00 40.11 H new ATOM 190 N ASP A 180 17.968 0.031 3.432 1.00 14.10 N ATOM 191 CA ASP A 180 17.341 0.357 4.708 1.00 61.31 C ATOM 192 C ASP A 180 17.872 1.680 5.252 1.00 72.43 C ATOM 193 O ASP A 180 18.012 1.851 6.463 1.00 45.43 O ATOM 194 CB ASP A 180 17.586 -0.761 5.722 1.00 43.14 C ATOM 195 CG ASP A 180 16.348 -1.089 6.533 1.00 24.44 C ATOM 196 OD1 ASP A 180 15.479 -1.824 6.019 1.00 10.53 O ATOM 197 OD2 ASP A 180 16.250 -0.612 7.683 1.00 73.24 O ATOM 0 H ASP A 180 18.869 -0.440 3.513 1.00 14.10 H new ATOM 0 HA ASP A 180 16.268 0.457 4.542 1.00 61.31 H new ATOM 0 HB2 ASP A 180 17.921 -1.656 5.198 1.00 43.14 H new ATOM 0 HB3 ASP A 180 18.391 -0.466 6.396 1.00 43.14 H new ATOM 202 N GLU A 181 18.166 2.610 4.349 1.00 54.23 N ATOM 203 CA GLU A 181 18.683 3.916 4.740 1.00 60.01 C ATOM 204 C GLU A 181 17.902 5.037 4.060 1.00 52.22 C ATOM 205 O GLU A 181 16.889 4.794 3.403 1.00 34.05 O ATOM 206 CB GLU A 181 20.168 4.028 4.387 1.00 61.35 C ATOM 207 CG GLU A 181 21.064 4.256 5.592 1.00 23.43 C ATOM 208 CD GLU A 181 20.544 5.345 6.509 1.00 34.14 C ATOM 209 OE1 GLU A 181 20.495 6.515 6.075 1.00 23.40 O ATOM 210 OE2 GLU A 181 20.184 5.027 7.663 1.00 50.14 O ATOM 0 H GLU A 181 18.055 2.484 3.343 1.00 54.23 H new ATOM 0 HA GLU A 181 18.564 4.017 5.819 1.00 60.01 H new ATOM 0 HB2 GLU A 181 20.482 3.116 3.879 1.00 61.35 H new ATOM 0 HB3 GLU A 181 20.305 4.849 3.683 1.00 61.35 H new ATOM 0 HG2 GLU A 181 21.155 3.326 6.154 1.00 23.43 H new ATOM 0 HG3 GLU A 181 22.065 4.521 5.251 1.00 23.43 H new ATOM 217 N LYS A 182 18.379 6.266 4.221 1.00 24.53 N ATOM 218 CA LYS A 182 17.728 7.426 3.625 1.00 65.22 C ATOM 219 C LYS A 182 18.756 8.373 3.015 1.00 3.20 C ATOM 220 O LYS A 182 19.643 8.873 3.709 1.00 53.42 O ATOM 221 CB LYS A 182 16.896 8.166 4.674 1.00 24.52 C ATOM 222 CG LYS A 182 15.403 8.133 4.400 1.00 52.24 C ATOM 223 CD LYS A 182 14.599 8.479 5.642 1.00 61.30 C ATOM 224 CE LYS A 182 13.269 9.125 5.285 1.00 62.45 C ATOM 225 NZ LYS A 182 12.270 8.119 4.830 1.00 13.42 N ATOM 0 H LYS A 182 19.216 6.485 4.761 1.00 24.53 H new ATOM 0 HA LYS A 182 17.069 7.073 2.832 1.00 65.22 H new ATOM 0 HB2 LYS A 182 17.087 7.727 5.653 1.00 24.52 H new ATOM 0 HB3 LYS A 182 17.225 9.204 4.721 1.00 24.52 H new ATOM 0 HG2 LYS A 182 15.163 8.837 3.603 1.00 52.24 H new ATOM 0 HG3 LYS A 182 15.119 7.142 4.046 1.00 52.24 H new ATOM 0 HD2 LYS A 182 14.421 7.575 6.224 1.00 61.30 H new ATOM 0 HD3 LYS A 182 15.175 9.156 6.273 1.00 61.30 H new ATOM 0 HE2 LYS A 182 12.879 9.658 6.152 1.00 62.45 H new ATOM 0 HE3 LYS A 182 13.423 9.865 4.500 1.00 62.45 H new ATOM 0 HZ1 LYS A 182 11.377 8.598 4.596 1.00 13.42 H new ATOM 0 HZ2 LYS A 182 12.631 7.628 3.987 1.00 13.42 H new ATOM 0 HZ3 LYS A 182 12.103 7.427 5.589 1.00 13.42 H new ATOM 239 N VAL A 183 18.632 8.617 1.714 1.00 65.22 N ATOM 240 CA VAL A 183 19.548 9.508 1.013 1.00 44.25 C ATOM 241 C VAL A 183 19.671 10.848 1.731 1.00 62.43 C ATOM 242 O VAL A 183 18.858 11.177 2.593 1.00 3.04 O ATOM 243 CB VAL A 183 19.090 9.755 -0.438 1.00 5.12 C ATOM 244 CG1 VAL A 183 19.204 8.480 -1.258 1.00 72.33 C ATOM 245 CG2 VAL A 183 17.667 10.290 -0.462 1.00 41.20 C ATOM 0 H VAL A 183 17.906 8.210 1.125 1.00 65.22 H new ATOM 0 HA VAL A 183 20.521 9.016 1.001 1.00 44.25 H new ATOM 0 HB VAL A 183 19.743 10.504 -0.885 1.00 5.12 H new ATOM 0 HG11 VAL A 183 18.876 8.674 -2.279 1.00 72.33 H new ATOM 0 HG12 VAL A 183 20.241 8.145 -1.267 1.00 72.33 H new ATOM 0 HG13 VAL A 183 18.576 7.706 -0.816 1.00 72.33 H new ATOM 0 HG21 VAL A 183 17.359 10.459 -1.494 1.00 41.20 H new ATOM 0 HG22 VAL A 183 16.998 9.565 0.002 1.00 41.20 H new ATOM 0 HG23 VAL A 183 17.622 11.230 0.088 1.00 41.20 H new ATOM 255 N ASN A 184 20.694 11.615 1.368 1.00 54.41 N ATOM 256 CA ASN A 184 20.922 12.921 1.978 1.00 64.13 C ATOM 257 C ASN A 184 21.223 13.972 0.914 1.00 25.02 C ATOM 258 O ASN A 184 20.610 15.039 0.890 1.00 21.50 O ATOM 259 CB ASN A 184 22.078 12.843 2.976 1.00 5.53 C ATOM 260 CG ASN A 184 21.955 13.873 4.083 1.00 10.25 C ATOM 261 OD1 ASN A 184 22.647 14.892 4.079 1.00 21.33 O ATOM 262 ND2 ASN A 184 21.071 13.610 5.039 1.00 44.41 N ATOM 0 H ASN A 184 21.377 11.356 0.656 1.00 54.41 H new ATOM 0 HA ASN A 184 20.014 13.214 2.505 1.00 64.13 H new ATOM 0 HB2 ASN A 184 22.110 11.845 3.413 1.00 5.53 H new ATOM 0 HB3 ASN A 184 23.021 12.991 2.449 1.00 5.53 H new ATOM 0 HD21 ASN A 184 20.944 14.265 5.810 1.00 44.41 H new ATOM 0 HD22 ASN A 184 20.519 12.753 5.002 1.00 44.41 H new ATOM 269 N MET A 185 22.173 13.663 0.036 1.00 50.33 N ATOM 270 CA MET A 185 22.555 14.581 -1.030 1.00 55.34 C ATOM 271 C MET A 185 23.156 13.825 -2.211 1.00 34.52 C ATOM 272 O MET A 185 23.103 12.595 -2.264 1.00 1.34 O ATOM 273 CB MET A 185 23.555 15.615 -0.509 1.00 42.34 C ATOM 274 CG MET A 185 23.130 17.052 -0.760 1.00 12.53 C ATOM 275 SD MET A 185 22.618 17.897 0.749 1.00 40.33 S ATOM 276 CE MET A 185 24.187 18.054 1.598 1.00 34.04 C ATOM 0 H MET A 185 22.691 12.785 0.042 1.00 50.33 H new ATOM 0 HA MET A 185 21.656 15.095 -1.371 1.00 55.34 H new ATOM 0 HB2 MET A 185 23.693 15.467 0.562 1.00 42.34 H new ATOM 0 HB3 MET A 185 24.522 15.443 -0.981 1.00 42.34 H new ATOM 0 HG2 MET A 185 23.957 17.597 -1.215 1.00 12.53 H new ATOM 0 HG3 MET A 185 22.308 17.064 -1.476 1.00 12.53 H new ATOM 0 HE1 MET A 185 24.011 18.202 2.663 1.00 34.04 H new ATOM 0 HE2 MET A 185 24.773 17.147 1.450 1.00 34.04 H new ATOM 0 HE3 MET A 185 24.733 18.909 1.198 1.00 34.04 H new ATOM 286 N TYR A 186 23.726 14.564 -3.154 1.00 4.50 N ATOM 287 CA TYR A 186 24.335 13.963 -4.334 1.00 4.01 C ATOM 288 C TYR A 186 25.769 14.452 -4.517 1.00 70.11 C ATOM 289 O TYR A 186 26.003 15.659 -4.490 1.00 50.33 O ATOM 290 CB TYR A 186 23.511 14.288 -5.581 1.00 45.22 C ATOM 291 CG TYR A 186 24.071 13.688 -6.850 1.00 44.23 C ATOM 292 CD1 TYR A 186 25.042 14.355 -7.589 1.00 13.25 C ATOM 293 CD2 TYR A 186 23.631 12.454 -7.314 1.00 24.24 C ATOM 294 CE1 TYR A 186 25.557 13.812 -8.749 1.00 61.43 C ATOM 295 CE2 TYR A 186 24.141 11.902 -8.472 1.00 61.14 C ATOM 296 CZ TYR A 186 25.103 12.585 -9.186 1.00 43.24 C ATOM 297 OH TYR A 186 25.613 12.039 -10.342 1.00 62.52 O ATOM 0 H TYR A 186 23.779 15.582 -3.125 1.00 4.50 H new ATOM 0 HA TYR A 186 24.354 12.883 -4.190 1.00 4.01 H new ATOM 0 HB2 TYR A 186 22.492 13.927 -5.437 1.00 45.22 H new ATOM 0 HB3 TYR A 186 23.453 15.370 -5.696 1.00 45.22 H new ATOM 0 HD1 TYR A 186 25.400 15.316 -7.249 1.00 13.25 H new ATOM 0 HD2 TYR A 186 22.876 11.917 -6.758 1.00 24.24 H new ATOM 0 HE1 TYR A 186 26.310 14.344 -9.311 1.00 61.43 H new ATOM 0 HE2 TYR A 186 23.789 10.941 -8.817 1.00 61.14 H new ATOM 0 HH TYR A 186 25.189 11.172 -10.509 1.00 62.52 H new ATOM 307 N CYS A 187 26.687 13.514 -4.697 1.00 71.13 N ATOM 308 CA CYS A 187 28.086 13.861 -4.882 1.00 73.42 C ATOM 309 C CYS A 187 28.302 14.211 -6.357 1.00 32.05 C ATOM 310 O CYS A 187 28.341 13.348 -7.233 1.00 53.45 O ATOM 311 CB CYS A 187 29.014 12.736 -4.421 1.00 33.33 C ATOM 312 SG CYS A 187 29.809 13.191 -2.837 1.00 63.13 S ATOM 0 H CYS A 187 26.489 12.514 -4.719 1.00 71.13 H new ATOM 0 HA CYS A 187 28.335 14.724 -4.264 1.00 73.42 H new ATOM 0 HB2 CYS A 187 28.448 11.812 -4.301 1.00 33.33 H new ATOM 0 HB3 CYS A 187 29.775 12.548 -5.178 1.00 33.33 H new ATOM 317 N VAL A 188 28.443 15.508 -6.611 1.00 23.21 N ATOM 318 CA VAL A 188 28.658 16.002 -7.965 1.00 4.20 C ATOM 319 C VAL A 188 30.072 15.692 -8.445 1.00 45.21 C ATOM 320 O VAL A 188 30.321 15.576 -9.645 1.00 3.11 O ATOM 321 CB VAL A 188 28.421 17.521 -8.052 1.00 73.03 C ATOM 322 CG1 VAL A 188 28.608 18.010 -9.481 1.00 74.45 C ATOM 323 CG2 VAL A 188 27.033 17.873 -7.537 1.00 63.33 C ATOM 0 H VAL A 188 28.412 16.235 -5.897 1.00 23.21 H new ATOM 0 HA VAL A 188 27.939 15.492 -8.606 1.00 4.20 H new ATOM 0 HB VAL A 188 29.156 18.023 -7.423 1.00 73.03 H new ATOM 0 HG11 VAL A 188 28.436 19.086 -9.523 1.00 74.45 H new ATOM 0 HG12 VAL A 188 29.624 17.791 -9.810 1.00 74.45 H new ATOM 0 HG13 VAL A 188 27.898 17.504 -10.135 1.00 74.45 H new ATOM 0 HG21 VAL A 188 26.882 18.950 -7.605 1.00 63.33 H new ATOM 0 HG22 VAL A 188 26.281 17.362 -8.139 1.00 63.33 H new ATOM 0 HG23 VAL A 188 26.940 17.559 -6.497 1.00 63.33 H new ATOM 333 N THR A 189 30.997 15.559 -7.499 1.00 32.43 N ATOM 334 CA THR A 189 32.386 15.263 -7.824 1.00 40.45 C ATOM 335 C THR A 189 32.517 13.900 -8.493 1.00 33.30 C ATOM 336 O THR A 189 33.055 13.788 -9.594 1.00 63.31 O ATOM 337 CB THR A 189 33.276 15.294 -6.567 1.00 34.12 C ATOM 338 OG1 THR A 189 32.464 15.221 -5.390 1.00 35.33 O ATOM 339 CG2 THR A 189 34.118 16.560 -6.530 1.00 52.42 C ATOM 0 H THR A 189 30.808 15.652 -6.501 1.00 32.43 H new ATOM 0 HA THR A 189 32.720 16.036 -8.516 1.00 40.45 H new ATOM 0 HB THR A 189 33.944 14.434 -6.601 1.00 34.12 H new ATOM 0 HG1 THR A 189 33.035 15.079 -4.607 1.00 35.33 H new ATOM 0 HG21 THR A 189 34.738 16.559 -5.633 1.00 52.42 H new ATOM 0 HG22 THR A 189 34.757 16.598 -7.412 1.00 52.42 H new ATOM 0 HG23 THR A 189 33.464 17.432 -6.518 1.00 52.42 H new ATOM 347 N ASP A 190 32.021 12.867 -7.821 1.00 20.41 N ATOM 348 CA ASP A 190 32.081 11.510 -8.352 1.00 14.20 C ATOM 349 C ASP A 190 30.844 11.199 -9.190 1.00 3.14 C ATOM 350 O ASP A 190 30.788 10.179 -9.877 1.00 4.21 O ATOM 351 CB ASP A 190 32.208 10.499 -7.212 1.00 33.45 C ATOM 352 CG ASP A 190 33.052 11.020 -6.066 1.00 40.44 C ATOM 353 OD1 ASP A 190 34.288 10.852 -6.117 1.00 21.50 O ATOM 354 OD2 ASP A 190 32.478 11.596 -5.119 1.00 20.42 O ATOM 0 H ASP A 190 31.573 12.943 -6.908 1.00 20.41 H new ATOM 0 HA ASP A 190 32.960 11.435 -8.993 1.00 14.20 H new ATOM 0 HB2 ASP A 190 31.214 10.247 -6.842 1.00 33.45 H new ATOM 0 HB3 ASP A 190 32.649 9.578 -7.594 1.00 33.45 H new ATOM 359 N ASP A 191 29.856 12.083 -9.126 1.00 15.13 N ATOM 360 CA ASP A 191 28.620 11.904 -9.879 1.00 13.25 C ATOM 361 C ASP A 191 27.869 10.663 -9.404 1.00 3.24 C ATOM 362 O ASP A 191 27.601 9.752 -10.185 1.00 62.32 O ATOM 363 CB ASP A 191 28.919 11.792 -11.374 1.00 63.00 C ATOM 364 CG ASP A 191 27.713 12.119 -12.233 1.00 23.22 C ATOM 365 OD1 ASP A 191 27.435 13.319 -12.431 1.00 14.34 O ATOM 366 OD2 ASP A 191 27.048 11.173 -12.705 1.00 14.51 O ATOM 0 H ASP A 191 29.886 12.931 -8.560 1.00 15.13 H new ATOM 0 HA ASP A 191 27.990 12.777 -9.707 1.00 13.25 H new ATOM 0 HB2 ASP A 191 29.737 12.466 -11.629 1.00 63.00 H new ATOM 0 HB3 ASP A 191 29.258 10.781 -11.599 1.00 63.00 H new ATOM 371 N GLN A 192 27.535 10.637 -8.117 1.00 33.31 N ATOM 372 CA GLN A 192 26.818 9.507 -7.538 1.00 41.11 C ATOM 373 C GLN A 192 26.140 9.905 -6.231 1.00 31.10 C ATOM 374 O GLN A 192 26.779 10.442 -5.326 1.00 52.51 O ATOM 375 CB GLN A 192 27.775 8.338 -7.295 1.00 13.43 C ATOM 376 CG GLN A 192 27.133 6.974 -7.494 1.00 12.50 C ATOM 377 CD GLN A 192 27.580 6.302 -8.777 1.00 51.55 C ATOM 378 OE1 GLN A 192 28.762 6.316 -9.120 1.00 43.45 O ATOM 379 NE2 GLN A 192 26.633 5.707 -9.494 1.00 42.41 N ATOM 0 H GLN A 192 27.749 11.384 -7.457 1.00 33.31 H new ATOM 0 HA GLN A 192 26.049 9.196 -8.245 1.00 41.11 H new ATOM 0 HB2 GLN A 192 28.627 8.431 -7.968 1.00 13.43 H new ATOM 0 HB3 GLN A 192 28.163 8.403 -6.279 1.00 13.43 H new ATOM 0 HG2 GLN A 192 27.380 6.333 -6.647 1.00 12.50 H new ATOM 0 HG3 GLN A 192 26.049 7.085 -7.505 1.00 12.50 H new ATOM 0 HE21 GLN A 192 25.665 5.720 -9.172 1.00 42.41 H new ATOM 0 HE22 GLN A 192 26.874 5.237 -10.367 1.00 42.41 H new ATOM 388 N LEU A 193 24.841 9.638 -6.140 1.00 4.14 N ATOM 389 CA LEU A 193 24.075 9.968 -4.943 1.00 4.51 C ATOM 390 C LEU A 193 24.757 9.425 -3.692 1.00 3.04 C ATOM 391 O LEU A 193 25.479 8.429 -3.749 1.00 40.24 O ATOM 392 CB LEU A 193 22.657 9.405 -5.050 1.00 13.24 C ATOM 393 CG LEU A 193 21.520 10.387 -4.764 1.00 4.22 C ATOM 394 CD1 LEU A 193 20.275 10.006 -5.549 1.00 4.11 C ATOM 395 CD2 LEU A 193 21.219 10.436 -3.273 1.00 25.24 C ATOM 0 H LEU A 193 24.297 9.194 -6.880 1.00 4.14 H new ATOM 0 HA LEU A 193 24.023 11.054 -4.863 1.00 4.51 H new ATOM 0 HB2 LEU A 193 22.521 9.006 -6.055 1.00 13.24 H new ATOM 0 HB3 LEU A 193 22.568 8.566 -4.360 1.00 13.24 H new ATOM 0 HG LEU A 193 21.835 11.380 -5.083 1.00 4.22 H new ATOM 0 HD11 LEU A 193 19.477 10.716 -5.333 1.00 4.11 H new ATOM 0 HD12 LEU A 193 20.498 10.025 -6.616 1.00 4.11 H new ATOM 0 HD13 LEU A 193 19.957 9.004 -5.262 1.00 4.11 H new ATOM 0 HD21 LEU A 193 20.407 11.140 -3.089 1.00 25.24 H new ATOM 0 HD22 LEU A 193 20.925 9.445 -2.928 1.00 25.24 H new ATOM 0 HD23 LEU A 193 22.109 10.759 -2.733 1.00 25.24 H new ATOM 407 N ILE A 194 24.523 10.085 -2.563 1.00 5.41 N ATOM 408 CA ILE A 194 25.115 9.667 -1.298 1.00 14.22 C ATOM 409 C ILE A 194 24.158 9.914 -0.136 1.00 42.13 C ATOM 410 O ILE A 194 23.454 10.922 -0.140 1.00 55.44 O ATOM 411 CB ILE A 194 26.439 10.404 -1.023 1.00 73.33 C ATOM 412 CG1 ILE A 194 26.328 11.870 -1.446 1.00 64.43 C ATOM 413 CG2 ILE A 194 27.586 9.721 -1.752 1.00 20.31 C ATOM 414 CD1 ILE A 194 27.047 12.823 -0.517 1.00 72.42 C ATOM 0 H ILE A 194 23.928 10.911 -2.498 1.00 5.41 H new ATOM 0 HA ILE A 194 25.315 8.599 -1.382 1.00 14.22 H new ATOM 0 HB ILE A 194 26.643 10.369 0.047 1.00 73.33 H new ATOM 0 HG12 ILE A 194 26.733 11.981 -2.452 1.00 64.43 H new ATOM 0 HG13 ILE A 194 25.275 12.147 -1.494 1.00 64.43 H new ATOM 0 HG21 ILE A 194 28.515 10.253 -1.548 1.00 20.31 H new ATOM 0 HG22 ILE A 194 27.675 8.691 -1.407 1.00 20.31 H new ATOM 0 HG23 ILE A 194 27.391 9.729 -2.824 1.00 20.31 H new ATOM 0 HD11 ILE A 194 26.926 13.844 -0.878 1.00 72.42 H new ATOM 0 HD12 ILE A 194 26.627 12.741 0.485 1.00 72.42 H new ATOM 0 HD13 ILE A 194 28.107 12.572 -0.488 1.00 72.42 H new ATOM 426 N CYS A 195 24.155 9.001 0.824 1.00 72.23 N ATOM 427 CA CYS A 195 23.285 9.133 1.980 1.00 72.22 C ATOM 428 C CYS A 195 24.144 9.509 3.187 1.00 5.45 C ATOM 429 O CYS A 195 25.346 9.755 3.082 1.00 1.31 O ATOM 430 CB CYS A 195 22.477 7.857 2.229 1.00 23.31 C ATOM 431 SG CYS A 195 23.557 6.564 2.945 1.00 23.45 S ATOM 0 H CYS A 195 24.742 8.167 0.825 1.00 72.23 H new ATOM 0 HA CYS A 195 22.552 9.919 1.799 1.00 72.22 H new ATOM 0 HB2 CYS A 195 21.649 8.067 2.906 1.00 23.31 H new ATOM 0 HB3 CYS A 195 22.043 7.503 1.294 1.00 23.31 H new ATOM 436 N ALA A 196 23.497 9.549 4.347 1.00 1.35 N ATOM 437 CA ALA A 196 24.178 9.889 5.591 1.00 53.40 C ATOM 438 C ALA A 196 25.179 8.807 5.982 1.00 4.13 C ATOM 439 O ALA A 196 26.308 9.105 6.376 1.00 21.51 O ATOM 440 CB ALA A 196 23.165 10.102 6.706 1.00 72.41 C ATOM 0 H ALA A 196 22.502 9.350 4.452 1.00 1.35 H new ATOM 0 HA ALA A 196 24.728 10.817 5.434 1.00 53.40 H new ATOM 0 HB1 ALA A 196 23.687 10.355 7.629 1.00 72.41 H new ATOM 0 HB2 ALA A 196 22.492 10.915 6.435 1.00 72.41 H new ATOM 0 HB3 ALA A 196 22.589 9.188 6.854 1.00 72.41 H new ATOM 446 N LEU A 197 24.759 7.552 5.872 1.00 42.02 N ATOM 447 CA LEU A 197 25.621 6.425 6.215 1.00 55.13 C ATOM 448 C LEU A 197 26.862 6.400 5.330 1.00 65.23 C ATOM 449 O LEU A 197 27.856 5.779 5.705 1.00 54.15 O ATOM 450 CB LEU A 197 24.852 5.110 6.073 1.00 75.04 C ATOM 451 CG LEU A 197 25.422 3.913 6.835 1.00 3.44 C ATOM 452 CD1 LEU A 197 24.341 3.251 7.675 1.00 4.34 C ATOM 453 CD2 LEU A 197 26.040 2.911 5.871 1.00 53.03 C ATOM 0 H LEU A 197 23.828 7.288 5.549 1.00 42.02 H new ATOM 0 HA LEU A 197 25.939 6.543 7.251 1.00 55.13 H new ATOM 0 HB2 LEU A 197 23.828 5.274 6.407 1.00 75.04 H new ATOM 0 HB3 LEU A 197 24.805 4.852 5.015 1.00 75.04 H new ATOM 0 HG LEU A 197 26.204 4.272 7.504 1.00 3.44 H new ATOM 0 HD11 LEU A 197 24.765 2.401 8.210 1.00 4.34 H new ATOM 0 HD12 LEU A 197 23.946 3.971 8.392 1.00 4.34 H new ATOM 0 HD13 LEU A 197 23.536 2.906 7.026 1.00 4.34 H new ATOM 0 HD21 LEU A 197 26.440 2.066 6.431 1.00 53.03 H new ATOM 0 HD22 LEU A 197 25.278 2.557 5.176 1.00 53.03 H new ATOM 0 HD23 LEU A 197 26.845 3.391 5.314 1.00 53.03 H new ATOM 465 N CYS A 198 26.781 7.068 4.189 1.00 20.13 N ATOM 466 CA CYS A 198 27.905 7.116 3.268 1.00 75.24 C ATOM 467 C CYS A 198 28.887 8.178 3.763 1.00 1.14 C ATOM 468 O CYS A 198 30.103 8.071 3.601 1.00 72.43 O ATOM 469 CB CYS A 198 27.448 7.386 1.833 1.00 21.43 C ATOM 470 SG CYS A 198 26.813 5.844 1.078 1.00 14.53 S ATOM 0 H CYS A 198 25.955 7.581 3.881 1.00 20.13 H new ATOM 0 HA CYS A 198 28.402 6.146 3.246 1.00 75.24 H new ATOM 0 HB2 CYS A 198 26.671 8.150 1.828 1.00 21.43 H new ATOM 0 HB3 CYS A 198 28.280 7.773 1.244 1.00 21.43 H new ATOM 475 N LYS A 199 28.330 9.215 4.379 1.00 0.31 N ATOM 476 CA LYS A 199 29.132 10.311 4.911 1.00 50.32 C ATOM 477 C LYS A 199 29.795 9.912 6.225 1.00 73.13 C ATOM 478 O LYS A 199 30.731 10.568 6.684 1.00 15.14 O ATOM 479 CB LYS A 199 28.261 11.551 5.122 1.00 11.24 C ATOM 480 CG LYS A 199 27.764 12.174 3.830 1.00 1.20 C ATOM 481 CD LYS A 199 26.456 12.918 4.036 1.00 53.55 C ATOM 482 CE LYS A 199 26.659 14.189 4.846 1.00 14.53 C ATOM 483 NZ LYS A 199 26.195 14.030 6.253 1.00 41.44 N ATOM 0 H LYS A 199 27.326 9.320 4.522 1.00 0.31 H new ATOM 0 HA LYS A 199 29.913 10.542 4.187 1.00 50.32 H new ATOM 0 HB2 LYS A 199 27.403 11.281 5.738 1.00 11.24 H new ATOM 0 HB3 LYS A 199 28.832 12.295 5.678 1.00 11.24 H new ATOM 0 HG2 LYS A 199 28.517 12.861 3.443 1.00 1.20 H new ATOM 0 HG3 LYS A 199 27.626 11.396 3.079 1.00 1.20 H new ATOM 0 HD2 LYS A 199 26.022 13.168 3.068 1.00 53.55 H new ATOM 0 HD3 LYS A 199 25.744 12.270 4.547 1.00 53.55 H new ATOM 0 HE2 LYS A 199 27.715 14.459 4.840 1.00 14.53 H new ATOM 0 HE3 LYS A 199 26.118 15.010 4.376 1.00 14.53 H new ATOM 0 HZ1 LYS A 199 26.350 14.918 6.772 1.00 41.44 H new ATOM 0 HZ2 LYS A 199 25.181 13.798 6.260 1.00 41.44 H new ATOM 0 HZ3 LYS A 199 26.729 13.264 6.710 1.00 41.44 H new ATOM 497 N LEU A 200 29.306 8.831 6.824 1.00 12.53 N ATOM 498 CA LEU A 200 29.854 8.343 8.085 1.00 34.32 C ATOM 499 C LEU A 200 30.698 7.093 7.864 1.00 1.13 C ATOM 500 O LEU A 200 31.795 6.967 8.408 1.00 5.52 O ATOM 501 CB LEU A 200 28.724 8.041 9.072 1.00 61.03 C ATOM 502 CG LEU A 200 28.923 8.554 10.498 1.00 5.20 C ATOM 503 CD1 LEU A 200 28.914 10.075 10.525 1.00 23.24 C ATOM 504 CD2 LEU A 200 27.849 7.996 11.421 1.00 32.40 C ATOM 0 H LEU A 200 28.532 8.277 6.457 1.00 12.53 H new ATOM 0 HA LEU A 200 30.493 9.122 8.501 1.00 34.32 H new ATOM 0 HB2 LEU A 200 27.802 8.469 8.679 1.00 61.03 H new ATOM 0 HB3 LEU A 200 28.583 6.961 9.112 1.00 61.03 H new ATOM 0 HG LEU A 200 29.894 8.211 10.854 1.00 5.20 H new ATOM 0 HD11 LEU A 200 29.057 10.422 11.548 1.00 23.24 H new ATOM 0 HD12 LEU A 200 29.720 10.455 9.897 1.00 23.24 H new ATOM 0 HD13 LEU A 200 27.958 10.440 10.149 1.00 23.24 H new ATOM 0 HD21 LEU A 200 28.007 8.372 12.432 1.00 32.40 H new ATOM 0 HD22 LEU A 200 26.867 8.308 11.067 1.00 32.40 H new ATOM 0 HD23 LEU A 200 27.903 6.907 11.426 1.00 32.40 H new ATOM 516 N VAL A 201 30.180 6.169 7.060 1.00 2.44 N ATOM 517 CA VAL A 201 30.889 4.930 6.763 1.00 53.13 C ATOM 518 C VAL A 201 31.781 5.088 5.537 1.00 22.24 C ATOM 519 O VAL A 201 32.919 4.621 5.520 1.00 5.14 O ATOM 520 CB VAL A 201 29.908 3.767 6.525 1.00 23.53 C ATOM 521 CG1 VAL A 201 30.667 2.477 6.250 1.00 73.20 C ATOM 522 CG2 VAL A 201 28.976 3.604 7.716 1.00 63.14 C ATOM 0 H VAL A 201 29.272 6.255 6.603 1.00 2.44 H new ATOM 0 HA VAL A 201 31.508 4.702 7.631 1.00 53.13 H new ATOM 0 HB VAL A 201 29.302 3.998 5.649 1.00 23.53 H new ATOM 0 HG11 VAL A 201 29.958 1.666 6.084 1.00 73.20 H new ATOM 0 HG12 VAL A 201 31.289 2.603 5.363 1.00 73.20 H new ATOM 0 HG13 VAL A 201 31.299 2.237 7.105 1.00 73.20 H new ATOM 0 HG21 VAL A 201 28.290 2.778 7.531 1.00 63.14 H new ATOM 0 HG22 VAL A 201 29.562 3.395 8.611 1.00 63.14 H new ATOM 0 HG23 VAL A 201 28.407 4.522 7.861 1.00 63.14 H new ATOM 532 N GLY A 202 31.256 5.749 4.510 1.00 15.33 N ATOM 533 CA GLY A 202 32.019 5.956 3.293 1.00 14.21 C ATOM 534 C GLY A 202 33.033 7.074 3.428 1.00 2.12 C ATOM 535 O GLY A 202 33.565 7.312 4.513 1.00 14.22 O ATOM 0 H GLY A 202 30.316 6.145 4.499 1.00 15.33 H new ATOM 0 HA2 GLY A 202 32.534 5.032 3.029 1.00 14.21 H new ATOM 0 HA3 GLY A 202 31.337 6.185 2.475 1.00 14.21 H new ATOM 539 N ARG A 203 33.304 7.762 2.323 1.00 31.42 N ATOM 540 CA ARG A 203 34.265 8.859 2.322 1.00 33.41 C ATOM 541 C ARG A 203 33.708 10.068 1.576 1.00 21.43 C ATOM 542 O ARG A 203 34.463 10.898 1.067 1.00 35.42 O ATOM 543 CB ARG A 203 35.580 8.411 1.683 1.00 44.54 C ATOM 544 CG ARG A 203 36.746 9.343 1.973 1.00 62.10 C ATOM 545 CD ARG A 203 37.598 9.573 0.735 1.00 34.52 C ATOM 546 NE ARG A 203 38.429 8.413 0.419 1.00 1.33 N ATOM 547 CZ ARG A 203 39.247 8.358 -0.626 1.00 74.03 C ATOM 548 NH1 ARG A 203 39.342 9.391 -1.453 1.00 31.24 N ATOM 549 NH2 ARG A 203 39.970 7.268 -0.847 1.00 44.14 N ATOM 0 H ARG A 203 32.872 7.579 1.417 1.00 31.42 H new ATOM 0 HA ARG A 203 34.452 9.148 3.356 1.00 33.41 H new ATOM 0 HB2 ARG A 203 35.827 7.412 2.042 1.00 44.54 H new ATOM 0 HB3 ARG A 203 35.444 8.338 0.604 1.00 44.54 H new ATOM 0 HG2 ARG A 203 36.368 10.298 2.338 1.00 62.10 H new ATOM 0 HG3 ARG A 203 37.362 8.920 2.766 1.00 62.10 H new ATOM 0 HD2 ARG A 203 36.952 9.798 -0.113 1.00 34.52 H new ATOM 0 HD3 ARG A 203 38.235 10.444 0.890 1.00 34.52 H new ATOM 0 HE ARG A 203 38.378 7.601 1.035 1.00 1.33 H new ATOM 0 HH11 ARG A 203 38.786 10.230 -1.287 1.00 31.24 H new ATOM 0 HH12 ARG A 203 39.971 9.346 -2.255 1.00 31.24 H new ATOM 0 HH21 ARG A 203 39.898 6.471 -0.214 1.00 44.14 H new ATOM 0 HH22 ARG A 203 40.598 7.227 -1.650 1.00 44.14 H new ATOM 563 N HIS A 204 32.384 10.160 1.514 1.00 51.33 N ATOM 564 CA HIS A 204 31.726 11.268 0.829 1.00 62.05 C ATOM 565 C HIS A 204 31.355 12.372 1.814 1.00 54.13 C ATOM 566 O HIS A 204 30.291 12.982 1.704 1.00 1.14 O ATOM 567 CB HIS A 204 30.475 10.774 0.102 1.00 74.01 C ATOM 568 CG HIS A 204 30.741 9.655 -0.857 1.00 71.11 C ATOM 569 ND1 HIS A 204 31.461 9.817 -2.021 1.00 41.51 N ATOM 570 CD2 HIS A 204 30.380 8.351 -0.818 1.00 51.33 C ATOM 571 CE1 HIS A 204 31.531 8.662 -2.658 1.00 40.11 C ATOM 572 NE2 HIS A 204 30.883 7.756 -1.948 1.00 73.42 N ATOM 0 H HIS A 204 31.745 9.482 1.929 1.00 51.33 H new ATOM 0 HA HIS A 204 32.423 11.678 0.098 1.00 62.05 H new ATOM 0 HB2 HIS A 204 29.743 10.443 0.839 1.00 74.01 H new ATOM 0 HB3 HIS A 204 30.027 11.607 -0.440 1.00 74.01 H new ATOM 0 HD2 HIS A 204 29.804 7.869 -0.042 1.00 51.33 H new ATOM 0 HE1 HIS A 204 32.032 8.488 -3.599 1.00 40.11 H new ATOM 0 HE2 HIS A 204 30.774 6.773 -2.199 1.00 73.42 H new ATOM 579 N ARG A 205 32.237 12.623 2.774 1.00 2.04 N ATOM 580 CA ARG A 205 32.001 13.651 3.780 1.00 13.45 C ATOM 581 C ARG A 205 32.640 14.974 3.365 1.00 32.43 C ATOM 582 O ARG A 205 32.004 16.027 3.423 1.00 23.44 O ATOM 583 CB ARG A 205 32.556 13.208 5.135 1.00 61.14 C ATOM 584 CG ARG A 205 31.833 13.826 6.321 1.00 1.32 C ATOM 585 CD ARG A 205 32.545 13.518 7.629 1.00 70.34 C ATOM 586 NE ARG A 205 33.256 14.681 8.152 1.00 10.44 N ATOM 587 CZ ARG A 205 32.653 15.707 8.741 1.00 11.43 C ATOM 588 NH1 ARG A 205 31.335 15.714 8.882 1.00 35.13 N ATOM 589 NH2 ARG A 205 33.369 16.730 9.192 1.00 33.42 N ATOM 0 H ARG A 205 33.123 12.128 2.877 1.00 2.04 H new ATOM 0 HA ARG A 205 30.924 13.797 3.867 1.00 13.45 H new ATOM 0 HB2 ARG A 205 32.492 12.122 5.207 1.00 61.14 H new ATOM 0 HB3 ARG A 205 33.613 13.469 5.188 1.00 61.14 H new ATOM 0 HG2 ARG A 205 31.768 14.906 6.186 1.00 1.32 H new ATOM 0 HG3 ARG A 205 30.812 13.448 6.363 1.00 1.32 H new ATOM 0 HD2 ARG A 205 31.818 13.176 8.366 1.00 70.34 H new ATOM 0 HD3 ARG A 205 33.250 12.701 7.474 1.00 70.34 H new ATOM 0 HE ARG A 205 34.272 14.707 8.060 1.00 10.44 H new ATOM 0 HH11 ARG A 205 30.781 14.930 8.538 1.00 35.13 H new ATOM 0 HH12 ARG A 205 30.875 16.504 9.335 1.00 35.13 H new ATOM 0 HH21 ARG A 205 34.383 16.728 9.086 1.00 33.42 H new ATOM 0 HH22 ARG A 205 32.905 17.518 9.644 1.00 33.42 H new ATOM 603 N ASP A 206 33.899 14.911 2.947 1.00 11.11 N ATOM 604 CA ASP A 206 34.623 16.103 2.522 1.00 45.44 C ATOM 605 C ASP A 206 34.447 16.341 1.025 1.00 11.52 C ATOM 606 O ASP A 206 35.086 17.220 0.447 1.00 45.44 O ATOM 607 CB ASP A 206 36.110 15.969 2.857 1.00 24.03 C ATOM 608 CG ASP A 206 36.453 16.560 4.211 1.00 63.21 C ATOM 609 OD1 ASP A 206 35.588 16.524 5.111 1.00 64.01 O ATOM 610 OD2 ASP A 206 37.588 17.058 4.370 1.00 31.30 O ATOM 0 H ASP A 206 34.439 14.048 2.893 1.00 11.11 H new ATOM 0 HA ASP A 206 34.212 16.958 3.059 1.00 45.44 H new ATOM 0 HB2 ASP A 206 36.390 14.916 2.842 1.00 24.03 H new ATOM 0 HB3 ASP A 206 36.699 16.466 2.087 1.00 24.03 H new ATOM 615 N HIS A 207 33.575 15.553 0.404 1.00 25.55 N ATOM 616 CA HIS A 207 33.315 15.679 -1.024 1.00 74.54 C ATOM 617 C HIS A 207 32.359 16.834 -1.303 1.00 50.23 C ATOM 618 O HIS A 207 31.843 17.461 -0.378 1.00 41.30 O ATOM 619 CB HIS A 207 32.732 14.376 -1.575 1.00 53.11 C ATOM 620 CG HIS A 207 33.757 13.305 -1.791 1.00 53.21 C ATOM 621 ND1 HIS A 207 33.469 12.097 -2.390 1.00 12.21 N ATOM 622 CD2 HIS A 207 35.075 13.268 -1.486 1.00 61.12 C ATOM 623 CE1 HIS A 207 34.565 11.361 -2.443 1.00 50.52 C ATOM 624 NE2 HIS A 207 35.555 12.049 -1.902 1.00 15.15 N ATOM 0 H HIS A 207 33.037 14.821 0.868 1.00 25.55 H new ATOM 0 HA HIS A 207 34.262 15.885 -1.523 1.00 74.54 H new ATOM 0 HB2 HIS A 207 31.973 14.007 -0.885 1.00 53.11 H new ATOM 0 HB3 HIS A 207 32.230 14.583 -2.520 1.00 53.11 H new ATOM 0 HD2 HIS A 207 35.644 14.050 -1.005 1.00 61.12 H new ATOM 0 HE1 HIS A 207 34.639 10.367 -2.858 1.00 50.52 H new ATOM 0 HE2 HIS A 207 36.519 11.728 -1.808 1.00 15.15 H new ATOM 631 N GLN A 208 32.128 17.111 -2.582 1.00 70.43 N ATOM 632 CA GLN A 208 31.235 18.191 -2.982 1.00 53.30 C ATOM 633 C GLN A 208 29.829 17.665 -3.250 1.00 61.11 C ATOM 634 O GLN A 208 29.654 16.534 -3.702 1.00 23.45 O ATOM 635 CB GLN A 208 31.776 18.894 -4.228 1.00 54.12 C ATOM 636 CG GLN A 208 33.252 19.243 -4.137 1.00 44.40 C ATOM 637 CD GLN A 208 33.536 20.319 -3.107 1.00 64.20 C ATOM 638 OE1 GLN A 208 32.646 21.078 -2.725 1.00 2.01 O ATOM 639 NE2 GLN A 208 34.782 20.389 -2.653 1.00 34.42 N ATOM 0 H GLN A 208 32.548 16.602 -3.360 1.00 70.43 H new ATOM 0 HA GLN A 208 31.184 18.908 -2.163 1.00 53.30 H new ATOM 0 HB2 GLN A 208 31.616 18.253 -5.095 1.00 54.12 H new ATOM 0 HB3 GLN A 208 31.205 19.807 -4.397 1.00 54.12 H new ATOM 0 HG2 GLN A 208 33.818 18.346 -3.885 1.00 44.40 H new ATOM 0 HG3 GLN A 208 33.603 19.578 -5.113 1.00 44.40 H new ATOM 0 HE21 GLN A 208 35.488 19.739 -2.998 1.00 34.42 H new ATOM 0 HE22 GLN A 208 35.033 21.093 -1.959 1.00 34.42 H new ATOM 648 N VAL A 209 28.828 18.494 -2.968 1.00 25.03 N ATOM 649 CA VAL A 209 27.437 18.113 -3.179 1.00 25.35 C ATOM 650 C VAL A 209 26.576 19.330 -3.495 1.00 33.45 C ATOM 651 O VAL A 209 27.080 20.446 -3.615 1.00 42.23 O ATOM 652 CB VAL A 209 26.859 17.393 -1.945 1.00 53.14 C ATOM 653 CG1 VAL A 209 27.612 16.099 -1.680 1.00 23.10 C ATOM 654 CG2 VAL A 209 26.903 18.305 -0.729 1.00 22.03 C ATOM 0 H VAL A 209 28.955 19.434 -2.593 1.00 25.03 H new ATOM 0 HA VAL A 209 27.421 17.431 -4.029 1.00 25.35 H new ATOM 0 HB VAL A 209 25.817 17.143 -2.146 1.00 53.14 H new ATOM 0 HG11 VAL A 209 27.190 15.605 -0.805 1.00 23.10 H new ATOM 0 HG12 VAL A 209 27.523 15.443 -2.546 1.00 23.10 H new ATOM 0 HG13 VAL A 209 28.664 16.321 -1.499 1.00 23.10 H new ATOM 0 HG21 VAL A 209 26.491 17.781 0.134 1.00 22.03 H new ATOM 0 HG22 VAL A 209 27.935 18.587 -0.523 1.00 22.03 H new ATOM 0 HG23 VAL A 209 26.314 19.201 -0.925 1.00 22.03 H new ATOM 664 N ALA A 210 25.272 19.108 -3.626 1.00 35.54 N ATOM 665 CA ALA A 210 24.339 20.186 -3.925 1.00 54.01 C ATOM 666 C ALA A 210 23.264 20.297 -2.849 1.00 42.42 C ATOM 667 O ALA A 210 22.316 19.513 -2.822 1.00 64.41 O ATOM 668 CB ALA A 210 23.702 19.970 -5.290 1.00 34.10 C ATOM 0 H ALA A 210 24.838 18.190 -3.529 1.00 35.54 H new ATOM 0 HA ALA A 210 24.898 21.122 -3.941 1.00 54.01 H new ATOM 0 HB1 ALA A 210 23.007 20.783 -5.500 1.00 34.10 H new ATOM 0 HB2 ALA A 210 24.478 19.950 -6.055 1.00 34.10 H new ATOM 0 HB3 ALA A 210 23.163 19.022 -5.294 1.00 34.10 H new ATOM 674 N ALA A 211 23.420 21.275 -1.963 1.00 51.20 N ATOM 675 CA ALA A 211 22.462 21.489 -0.885 1.00 55.01 C ATOM 676 C ALA A 211 21.112 21.942 -1.431 1.00 22.22 C ATOM 677 O ALA A 211 21.044 22.647 -2.439 1.00 4.32 O ATOM 678 CB ALA A 211 23.002 22.509 0.107 1.00 52.35 C ATOM 0 H ALA A 211 24.201 21.932 -1.970 1.00 51.20 H new ATOM 0 HA ALA A 211 22.315 20.540 -0.370 1.00 55.01 H new ATOM 0 HB1 ALA A 211 22.276 22.659 0.906 1.00 52.35 H new ATOM 0 HB2 ALA A 211 23.938 22.145 0.530 1.00 52.35 H new ATOM 0 HB3 ALA A 211 23.179 23.455 -0.404 1.00 52.35 H new ATOM 684 N LEU A 212 20.041 21.532 -0.762 1.00 11.14 N ATOM 685 CA LEU A 212 18.691 21.895 -1.182 1.00 2.22 C ATOM 686 C LEU A 212 18.324 23.289 -0.685 1.00 54.13 C ATOM 687 O LEU A 212 18.386 23.570 0.511 1.00 2.31 O ATOM 688 CB LEU A 212 17.681 20.872 -0.659 1.00 32.13 C ATOM 689 CG LEU A 212 16.296 20.905 -1.307 1.00 21.24 C ATOM 690 CD1 LEU A 212 15.992 19.578 -1.985 1.00 45.43 C ATOM 691 CD2 LEU A 212 15.231 21.232 -0.271 1.00 34.44 C ATOM 0 H LEU A 212 20.080 20.948 0.073 1.00 11.14 H new ATOM 0 HA LEU A 212 18.664 21.899 -2.272 1.00 2.22 H new ATOM 0 HB2 LEU A 212 18.100 19.875 -0.795 1.00 32.13 H new ATOM 0 HB3 LEU A 212 17.562 21.024 0.414 1.00 32.13 H new ATOM 0 HG LEU A 212 16.290 21.687 -2.066 1.00 21.24 H new ATOM 0 HD11 LEU A 212 15.003 19.620 -2.440 1.00 45.43 H new ATOM 0 HD12 LEU A 212 16.738 19.384 -2.756 1.00 45.43 H new ATOM 0 HD13 LEU A 212 16.017 18.777 -1.246 1.00 45.43 H new ATOM 0 HD21 LEU A 212 14.252 21.251 -0.749 1.00 34.44 H new ATOM 0 HD22 LEU A 212 15.238 20.472 0.510 1.00 34.44 H new ATOM 0 HD23 LEU A 212 15.439 22.207 0.169 1.00 34.44 H new ATOM 703 N SER A 213 17.936 24.159 -1.614 1.00 31.44 N ATOM 704 CA SER A 213 17.560 25.526 -1.271 1.00 70.31 C ATOM 705 C SER A 213 16.047 25.649 -1.118 1.00 10.55 C ATOM 706 O SER A 213 15.299 24.744 -1.484 1.00 31.43 O ATOM 707 CB SER A 213 18.056 26.498 -2.343 1.00 72.41 C ATOM 708 OG SER A 213 17.804 25.994 -3.644 1.00 10.31 O ATOM 0 H SER A 213 17.874 23.941 -2.609 1.00 31.44 H new ATOM 0 HA SER A 213 18.027 25.778 -0.319 1.00 70.31 H new ATOM 0 HB2 SER A 213 17.562 27.462 -2.221 1.00 72.41 H new ATOM 0 HB3 SER A 213 19.125 26.669 -2.217 1.00 72.41 H new ATOM 0 HG SER A 213 18.129 26.634 -4.311 1.00 10.31 H new ATOM 714 N GLU A 214 15.604 26.778 -0.572 1.00 2.14 N ATOM 715 CA GLU A 214 14.181 27.021 -0.369 1.00 12.43 C ATOM 716 C GLU A 214 13.642 27.997 -1.411 1.00 34.53 C ATOM 717 O GLU A 214 12.798 27.637 -2.232 1.00 45.12 O ATOM 718 CB GLU A 214 13.931 27.570 1.038 1.00 54.21 C ATOM 719 CG GLU A 214 13.051 26.674 1.893 1.00 53.12 C ATOM 720 CD GLU A 214 11.577 26.825 1.572 1.00 13.23 C ATOM 721 OE1 GLU A 214 10.966 27.808 2.042 1.00 41.10 O ATOM 722 OE2 GLU A 214 11.033 25.961 0.853 1.00 43.50 O ATOM 0 H GLU A 214 16.210 27.538 -0.263 1.00 2.14 H new ATOM 0 HA GLU A 214 13.656 26.072 -0.480 1.00 12.43 H new ATOM 0 HB2 GLU A 214 14.888 27.710 1.540 1.00 54.21 H new ATOM 0 HB3 GLU A 214 13.466 28.553 0.958 1.00 54.21 H new ATOM 0 HG2 GLU A 214 13.346 25.635 1.747 1.00 53.12 H new ATOM 0 HG3 GLU A 214 13.215 26.907 2.945 1.00 53.12 H new TER 729 GLU A 214 HETATM 730 ZN ZN A1175 24.570 4.917 1.432 1.00 3.31 ZN HETATM 731 ZN ZN A1187 31.521 11.657 -2.979 1.00 1.33 ZN