USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 280 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 187 CYS SG : rot -20:sc= -1.39 USER MOD Set 1.2: A 204 HIS : no HE2:sc= 0.473 K(o=-0.66,f=-6!) USER MOD Set 1.3: A 207 HIS : no HD1:sc= 0.258 K(o=-0.66,f=-4.6) USER MOD Set 2.1: A 175 CYS SG : rot 168:sc= 0.0539 USER MOD Set 2.2: A 178 HIS : no HD1:sc= -0.362 X(o=-0.04,f=0.039) USER MOD Set 2.3: A 195 CYS SG : rot -51:sc= 0.0334 USER MOD Set 2.4: A 198 CYS SG : rot 180:sc= 0.235 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= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 185 MET CE :methyl -149:sc= -0.117 (180deg=-0.755) USER MOD Single : A 186 TYR OH : rot 180:sc= -0.973 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 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 ----------------------------------------------------------------- ATOM 98 N MET A 174 16.537 5.868 -1.719 1.00 3.44 N ATOM 99 CA MET A 174 17.564 5.530 -0.739 1.00 54.13 C ATOM 100 C MET A 174 18.824 5.016 -1.429 1.00 32.02 C ATOM 101 O MET A 174 18.816 4.844 -2.646 1.00 41.11 O ATOM 102 CB MET A 174 17.038 4.478 0.240 1.00 45.13 C ATOM 103 CG MET A 174 15.697 4.840 0.858 1.00 63.41 C ATOM 104 SD MET A 174 14.412 3.632 0.484 1.00 40.34 S ATOM 105 CE MET A 174 13.576 3.526 2.065 1.00 52.42 C ATOM 0 HA MET A 174 17.817 6.435 -0.186 1.00 54.13 H new ATOM 0 HB2 MET A 174 16.944 3.525 -0.280 1.00 45.13 H new ATOM 0 HB3 MET A 174 17.769 4.336 1.036 1.00 45.13 H new ATOM 0 HG2 MET A 174 15.810 4.922 1.939 1.00 63.41 H new ATOM 0 HG3 MET A 174 15.386 5.820 0.495 1.00 63.41 H new ATOM 0 HE1 MET A 174 12.753 2.815 1.994 1.00 52.42 H new ATOM 0 HE2 MET A 174 14.280 3.192 2.827 1.00 52.42 H new ATOM 0 HE3 MET A 174 13.186 4.507 2.337 1.00 52.42 H new ATOM 115 N CYS A 175 19.867 4.785 -0.644 1.00 74.12 N ATOM 116 CA CYS A 175 21.120 4.294 -1.192 1.00 54.41 C ATOM 117 C CYS A 175 20.833 3.012 -1.976 1.00 33.55 C ATOM 118 O CYS A 175 19.784 2.380 -1.832 1.00 71.22 O ATOM 119 CB CYS A 175 22.167 4.072 -0.098 1.00 73.12 C ATOM 120 SG CYS A 175 23.769 4.793 -0.610 1.00 4.02 S ATOM 0 H CYS A 175 19.870 4.929 0.366 1.00 74.12 H new ATOM 0 HA CYS A 175 21.544 5.041 -1.863 1.00 54.41 H new ATOM 0 HB2 CYS A 175 21.834 4.529 0.834 1.00 73.12 H new ATOM 0 HB3 CYS A 175 22.284 3.005 0.094 1.00 73.12 H new ATOM 0 HG CYS A 175 24.571 4.839 0.412 1.00 4.02 H new ATOM 125 N LEU A 176 21.793 2.638 -2.812 1.00 64.10 N ATOM 126 CA LEU A 176 21.670 1.436 -3.631 1.00 4.41 C ATOM 127 C LEU A 176 21.772 0.180 -2.773 1.00 73.42 C ATOM 128 O LEU A 176 20.888 -0.676 -2.802 1.00 11.22 O ATOM 129 CB LEU A 176 22.752 1.419 -4.712 1.00 40.21 C ATOM 130 CG LEU A 176 22.385 2.080 -6.041 1.00 40.13 C ATOM 131 CD1 LEU A 176 22.965 3.484 -6.118 1.00 31.33 C ATOM 132 CD2 LEU A 176 22.870 1.235 -7.209 1.00 5.20 C ATOM 0 H LEU A 176 22.666 3.149 -2.942 1.00 64.10 H new ATOM 0 HA LEU A 176 20.690 1.449 -4.107 1.00 4.41 H new ATOM 0 HB2 LEU A 176 23.640 1.913 -4.317 1.00 40.21 H new ATOM 0 HB3 LEU A 176 23.025 0.382 -4.908 1.00 40.21 H new ATOM 0 HG LEU A 176 21.299 2.155 -6.100 1.00 40.13 H new ATOM 0 HD11 LEU A 176 22.693 3.938 -7.071 1.00 31.33 H new ATOM 0 HD12 LEU A 176 22.567 4.087 -5.302 1.00 31.33 H new ATOM 0 HD13 LEU A 176 24.051 3.434 -6.036 1.00 31.33 H new ATOM 0 HD21 LEU A 176 22.600 1.721 -8.147 1.00 5.20 H new ATOM 0 HD22 LEU A 176 23.953 1.127 -7.155 1.00 5.20 H new ATOM 0 HD23 LEU A 176 22.405 0.250 -7.164 1.00 5.20 H new ATOM 144 N GLU A 177 22.856 0.077 -2.010 1.00 33.03 N ATOM 145 CA GLU A 177 23.071 -1.075 -1.142 1.00 3.24 C ATOM 146 C GLU A 177 22.350 -0.896 0.190 1.00 11.34 C ATOM 147 O GLU A 177 21.822 -1.853 0.757 1.00 14.21 O ATOM 148 CB GLU A 177 24.567 -1.287 -0.900 1.00 50.34 C ATOM 149 CG GLU A 177 25.263 -2.044 -2.018 1.00 2.00 C ATOM 150 CD GLU A 177 26.379 -1.242 -2.660 1.00 51.10 C ATOM 151 OE1 GLU A 177 27.149 -0.598 -1.916 1.00 11.43 O ATOM 152 OE2 GLU A 177 26.482 -1.257 -3.903 1.00 63.14 O ATOM 0 H GLU A 177 23.598 0.776 -1.975 1.00 33.03 H new ATOM 0 HA GLU A 177 22.662 -1.954 -1.641 1.00 3.24 H new ATOM 0 HB2 GLU A 177 25.047 -0.317 -0.776 1.00 50.34 H new ATOM 0 HB3 GLU A 177 24.702 -1.831 0.035 1.00 50.34 H new ATOM 0 HG2 GLU A 177 25.671 -2.974 -1.623 1.00 2.00 H new ATOM 0 HG3 GLU A 177 24.531 -2.314 -2.779 1.00 2.00 H new ATOM 159 N HIS A 178 22.332 0.338 0.686 1.00 4.50 N ATOM 160 CA HIS A 178 21.677 0.644 1.953 1.00 62.32 C ATOM 161 C HIS A 178 20.208 0.993 1.734 1.00 1.11 C ATOM 162 O HIS A 178 19.782 2.117 1.996 1.00 42.00 O ATOM 163 CB HIS A 178 22.390 1.802 2.653 1.00 54.11 C ATOM 164 CG HIS A 178 23.882 1.675 2.652 1.00 20.53 C ATOM 165 ND1 HIS A 178 24.728 2.741 2.435 1.00 4.14 N ATOM 166 CD2 HIS A 178 24.679 0.597 2.847 1.00 51.31 C ATOM 167 CE1 HIS A 178 25.981 2.325 2.495 1.00 52.41 C ATOM 168 NE2 HIS A 178 25.978 1.028 2.743 1.00 1.23 N ATOM 0 H HIS A 178 22.763 1.142 0.230 1.00 4.50 H new ATOM 0 HA HIS A 178 21.731 -0.242 2.586 1.00 62.32 H new ATOM 0 HB2 HIS A 178 22.113 2.737 2.165 1.00 54.11 H new ATOM 0 HB3 HIS A 178 22.040 1.864 3.683 1.00 54.11 H new ATOM 0 HD2 HIS A 178 24.353 -0.413 3.047 1.00 51.31 H new ATOM 0 HE1 HIS A 178 26.858 2.941 2.364 1.00 52.41 H new ATOM 0 HE2 HIS A 178 26.807 0.441 2.841 1.00 1.23 H new ATOM 175 N GLU A 179 19.439 0.021 1.253 1.00 42.23 N ATOM 176 CA GLU A 179 18.019 0.227 0.998 1.00 52.14 C ATOM 177 C GLU A 179 17.300 0.688 2.263 1.00 41.30 C ATOM 178 O GLU A 179 16.252 1.330 2.195 1.00 33.20 O ATOM 179 CB GLU A 179 17.379 -1.061 0.474 1.00 0.45 C ATOM 180 CG GLU A 179 16.795 -0.928 -0.922 1.00 14.52 C ATOM 181 CD GLU A 179 17.399 -1.913 -1.903 1.00 43.54 C ATOM 182 OE1 GLU A 179 17.608 -3.082 -1.519 1.00 12.05 O ATOM 183 OE2 GLU A 179 17.664 -1.513 -3.057 1.00 14.34 O ATOM 0 H GLU A 179 19.776 -0.916 1.032 1.00 42.23 H new ATOM 0 HA GLU A 179 17.922 1.006 0.241 1.00 52.14 H new ATOM 0 HB2 GLU A 179 18.128 -1.853 0.471 1.00 0.45 H new ATOM 0 HB3 GLU A 179 16.591 -1.370 1.160 1.00 0.45 H new ATOM 0 HG2 GLU A 179 15.717 -1.081 -0.877 1.00 14.52 H new ATOM 0 HG3 GLU A 179 16.958 0.087 -1.285 1.00 14.52 H new ATOM 190 N ASP A 180 17.871 0.354 3.415 1.00 51.53 N ATOM 191 CA ASP A 180 17.285 0.732 4.696 1.00 43.52 C ATOM 192 C ASP A 180 17.914 2.020 5.220 1.00 13.53 C ATOM 193 O ASP A 180 18.084 2.191 6.428 1.00 60.12 O ATOM 194 CB ASP A 180 17.469 -0.392 5.717 1.00 53.33 C ATOM 195 CG ASP A 180 16.692 -1.641 5.348 1.00 50.44 C ATOM 196 OD1 ASP A 180 16.948 -2.199 4.260 1.00 34.32 O ATOM 197 OD2 ASP A 180 15.828 -2.059 6.147 1.00 65.34 O ATOM 0 H ASP A 180 18.739 -0.177 3.488 1.00 51.53 H new ATOM 0 HA ASP A 180 16.219 0.903 4.545 1.00 43.52 H new ATOM 0 HB2 ASP A 180 18.528 -0.637 5.797 1.00 53.33 H new ATOM 0 HB3 ASP A 180 17.147 -0.044 6.699 1.00 53.33 H new ATOM 202 N GLU A 181 18.257 2.921 4.306 1.00 44.41 N ATOM 203 CA GLU A 181 18.868 4.192 4.677 1.00 11.33 C ATOM 204 C GLU A 181 18.603 5.255 3.616 1.00 53.23 C ATOM 205 O GLU A 181 19.227 5.259 2.554 1.00 74.41 O ATOM 206 CB GLU A 181 20.376 4.019 4.877 1.00 52.24 C ATOM 207 CG GLU A 181 20.804 4.042 6.334 1.00 50.52 C ATOM 208 CD GLU A 181 21.280 2.689 6.824 1.00 32.50 C ATOM 209 OE1 GLU A 181 21.918 1.962 6.034 1.00 23.51 O ATOM 210 OE2 GLU A 181 21.013 2.356 7.998 1.00 41.11 O ATOM 0 H GLU A 181 18.122 2.795 3.303 1.00 44.41 H new ATOM 0 HA GLU A 181 18.419 4.521 5.614 1.00 11.33 H new ATOM 0 HB2 GLU A 181 20.687 3.074 4.431 1.00 52.24 H new ATOM 0 HB3 GLU A 181 20.898 4.812 4.341 1.00 52.24 H new ATOM 0 HG2 GLU A 181 21.603 4.772 6.462 1.00 50.52 H new ATOM 0 HG3 GLU A 181 19.967 4.373 6.949 1.00 50.52 H new ATOM 217 N LYS A 182 17.671 6.156 3.909 1.00 64.34 N ATOM 218 CA LYS A 182 17.322 7.225 2.981 1.00 53.41 C ATOM 219 C LYS A 182 18.555 8.035 2.594 1.00 13.54 C ATOM 220 O LYS A 182 19.510 8.136 3.364 1.00 61.20 O ATOM 221 CB LYS A 182 16.268 8.145 3.604 1.00 22.44 C ATOM 222 CG LYS A 182 14.954 8.166 2.844 1.00 40.32 C ATOM 223 CD LYS A 182 13.795 8.558 3.746 1.00 22.12 C ATOM 224 CE LYS A 182 13.200 9.897 3.340 1.00 71.24 C ATOM 225 NZ LYS A 182 12.019 10.255 4.175 1.00 44.33 N ATOM 0 H LYS A 182 17.144 6.167 4.782 1.00 64.34 H new ATOM 0 HA LYS A 182 16.911 6.770 2.080 1.00 53.41 H new ATOM 0 HB2 LYS A 182 16.080 7.826 4.629 1.00 22.44 H new ATOM 0 HB3 LYS A 182 16.666 9.159 3.653 1.00 22.44 H new ATOM 0 HG2 LYS A 182 15.024 8.869 2.014 1.00 40.32 H new ATOM 0 HG3 LYS A 182 14.765 7.182 2.414 1.00 40.32 H new ATOM 0 HD2 LYS A 182 13.024 7.789 3.704 1.00 22.12 H new ATOM 0 HD3 LYS A 182 14.138 8.610 4.779 1.00 22.12 H new ATOM 0 HE2 LYS A 182 13.959 10.674 3.432 1.00 71.24 H new ATOM 0 HE3 LYS A 182 12.906 9.861 2.291 1.00 71.24 H new ATOM 0 HZ1 LYS A 182 11.642 11.174 3.867 1.00 44.33 H new ATOM 0 HZ2 LYS A 182 11.285 9.526 4.068 1.00 44.33 H new ATOM 0 HZ3 LYS A 182 12.305 10.315 5.173 1.00 44.33 H new ATOM 239 N VAL A 183 18.525 8.614 1.398 1.00 63.22 N ATOM 240 CA VAL A 183 19.640 9.419 0.910 1.00 34.43 C ATOM 241 C VAL A 183 19.755 10.725 1.688 1.00 41.24 C ATOM 242 O VAL A 183 18.888 11.058 2.495 1.00 63.24 O ATOM 243 CB VAL A 183 19.488 9.737 -0.589 1.00 5.35 C ATOM 244 CG1 VAL A 183 19.550 8.462 -1.415 1.00 33.21 C ATOM 245 CG2 VAL A 183 18.189 10.487 -0.845 1.00 21.12 C ATOM 0 H VAL A 183 17.741 8.541 0.749 1.00 63.22 H new ATOM 0 HA VAL A 183 20.546 8.831 1.058 1.00 34.43 H new ATOM 0 HB VAL A 183 20.316 10.377 -0.893 1.00 5.35 H new ATOM 0 HG11 VAL A 183 19.441 8.707 -2.471 1.00 33.21 H new ATOM 0 HG12 VAL A 183 20.509 7.970 -1.254 1.00 33.21 H new ATOM 0 HG13 VAL A 183 18.744 7.793 -1.113 1.00 33.21 H new ATOM 0 HG21 VAL A 183 18.098 10.704 -1.909 1.00 21.12 H new ATOM 0 HG22 VAL A 183 17.346 9.874 -0.526 1.00 21.12 H new ATOM 0 HG23 VAL A 183 18.191 11.421 -0.283 1.00 21.12 H new ATOM 255 N ASN A 184 20.832 11.463 1.438 1.00 34.13 N ATOM 256 CA ASN A 184 21.061 12.734 2.114 1.00 11.33 C ATOM 257 C ASN A 184 21.376 13.836 1.108 1.00 50.15 C ATOM 258 O ASN A 184 20.838 14.940 1.191 1.00 20.54 O ATOM 259 CB ASN A 184 22.208 12.602 3.119 1.00 51.13 C ATOM 260 CG ASN A 184 22.266 13.767 4.087 1.00 53.43 C ATOM 261 OD1 ASN A 184 22.454 14.915 3.683 1.00 13.55 O ATOM 262 ND2 ASN A 184 22.104 13.478 5.373 1.00 71.01 N ATOM 0 H ASN A 184 21.559 11.202 0.772 1.00 34.13 H new ATOM 0 HA ASN A 184 20.149 13.003 2.647 1.00 11.33 H new ATOM 0 HB2 ASN A 184 22.092 11.674 3.679 1.00 51.13 H new ATOM 0 HB3 ASN A 184 23.153 12.533 2.580 1.00 51.13 H new ATOM 0 HD21 ASN A 184 22.133 14.222 6.070 1.00 71.01 H new ATOM 0 HD22 ASN A 184 21.951 12.512 5.663 1.00 71.01 H new ATOM 269 N MET A 185 22.252 13.529 0.157 1.00 53.44 N ATOM 270 CA MET A 185 22.638 14.493 -0.867 1.00 53.31 C ATOM 271 C MET A 185 23.194 13.785 -2.099 1.00 42.32 C ATOM 272 O MET A 185 23.105 12.563 -2.217 1.00 4.11 O ATOM 273 CB MET A 185 23.678 15.469 -0.313 1.00 13.41 C ATOM 274 CG MET A 185 23.282 16.929 -0.465 1.00 32.32 C ATOM 275 SD MET A 185 23.380 17.840 1.089 1.00 45.01 S ATOM 276 CE MET A 185 21.645 18.137 1.417 1.00 72.20 C ATOM 0 H MET A 185 22.708 12.620 0.074 1.00 53.44 H new ATOM 0 HA MET A 185 21.748 15.049 -1.160 1.00 53.31 H new ATOM 0 HB2 MET A 185 23.841 15.253 0.743 1.00 13.41 H new ATOM 0 HB3 MET A 185 24.627 15.303 -0.822 1.00 13.41 H new ATOM 0 HG2 MET A 185 23.931 17.403 -1.201 1.00 32.32 H new ATOM 0 HG3 MET A 185 22.265 16.987 -0.852 1.00 32.32 H new ATOM 0 HE1 MET A 185 21.532 19.077 1.957 1.00 72.20 H new ATOM 0 HE2 MET A 185 21.101 18.192 0.474 1.00 72.20 H new ATOM 0 HE3 MET A 185 21.244 17.322 2.020 1.00 72.20 H new ATOM 286 N TYR A 186 23.766 14.561 -3.014 1.00 32.34 N ATOM 287 CA TYR A 186 24.333 14.008 -4.237 1.00 25.10 C ATOM 288 C TYR A 186 25.803 14.396 -4.380 1.00 74.22 C ATOM 289 O TYR A 186 26.129 15.577 -4.264 1.00 74.24 O ATOM 290 CB TYR A 186 23.546 14.494 -5.454 1.00 71.53 C ATOM 291 CG TYR A 186 24.009 13.883 -6.758 1.00 41.13 C ATOM 292 CD1 TYR A 186 25.098 14.406 -7.444 1.00 42.02 C ATOM 293 CD2 TYR A 186 23.358 12.784 -7.304 1.00 31.00 C ATOM 294 CE1 TYR A 186 25.524 13.853 -8.635 1.00 43.04 C ATOM 295 CE2 TYR A 186 23.779 12.223 -8.495 1.00 14.15 C ATOM 296 CZ TYR A 186 24.862 12.761 -9.157 1.00 33.14 C ATOM 297 OH TYR A 186 25.284 12.206 -10.343 1.00 12.04 O ATOM 0 H TYR A 186 23.849 15.574 -2.931 1.00 32.34 H new ATOM 0 HA TYR A 186 24.266 12.922 -4.179 1.00 25.10 H new ATOM 0 HB2 TYR A 186 22.490 14.264 -5.309 1.00 71.53 H new ATOM 0 HB3 TYR A 186 23.630 15.579 -5.521 1.00 71.53 H new ATOM 0 HD1 TYR A 186 25.620 15.260 -7.039 1.00 42.02 H new ATOM 0 HD2 TYR A 186 22.508 12.361 -6.789 1.00 31.00 H new ATOM 0 HE1 TYR A 186 26.372 14.273 -9.156 1.00 43.04 H new ATOM 0 HE2 TYR A 186 23.262 11.368 -8.905 1.00 14.15 H new ATOM 0 HH TYR A 186 24.711 11.444 -10.570 1.00 12.04 H new ATOM 307 N CYS A 187 26.646 13.405 -4.626 1.00 3.30 N ATOM 308 CA CYS A 187 28.069 13.656 -4.782 1.00 63.43 C ATOM 309 C CYS A 187 28.332 14.035 -6.241 1.00 2.54 C ATOM 310 O CYS A 187 28.304 13.204 -7.149 1.00 34.12 O ATOM 311 CB CYS A 187 28.906 12.452 -4.347 1.00 22.32 C ATOM 312 SG CYS A 187 29.636 12.760 -2.698 1.00 13.34 S ATOM 0 H CYS A 187 26.372 12.427 -4.721 1.00 3.30 H new ATOM 0 HA CYS A 187 28.369 14.479 -4.133 1.00 63.43 H new ATOM 0 HB2 CYS A 187 28.283 11.558 -4.317 1.00 22.32 H new ATOM 0 HB3 CYS A 187 29.696 12.266 -5.075 1.00 22.32 H new ATOM 0 HG CYS A 187 29.646 14.038 -2.460 1.00 13.34 H new ATOM 317 N VAL A 188 28.592 15.323 -6.448 1.00 1.11 N ATOM 318 CA VAL A 188 28.866 15.843 -7.782 1.00 70.40 C ATOM 319 C VAL A 188 30.268 15.460 -8.244 1.00 61.42 C ATOM 320 O VAL A 188 30.479 15.118 -9.409 1.00 35.10 O ATOM 321 CB VAL A 188 28.724 17.375 -7.827 1.00 43.34 C ATOM 322 CG1 VAL A 188 29.050 17.902 -9.217 1.00 61.11 C ATOM 323 CG2 VAL A 188 27.324 17.793 -7.405 1.00 31.20 C ATOM 0 H VAL A 188 28.618 16.025 -5.708 1.00 1.11 H new ATOM 0 HA VAL A 188 28.131 15.397 -8.452 1.00 70.40 H new ATOM 0 HB VAL A 188 29.435 17.808 -7.124 1.00 43.34 H new ATOM 0 HG11 VAL A 188 28.944 18.987 -9.229 1.00 61.11 H new ATOM 0 HG12 VAL A 188 30.074 17.635 -9.477 1.00 61.11 H new ATOM 0 HG13 VAL A 188 28.365 17.463 -9.943 1.00 61.11 H new ATOM 0 HG21 VAL A 188 27.242 18.879 -7.443 1.00 31.20 H new ATOM 0 HG22 VAL A 188 26.593 17.350 -8.081 1.00 31.20 H new ATOM 0 HG23 VAL A 188 27.133 17.450 -6.388 1.00 31.20 H new ATOM 333 N THR A 189 31.225 15.517 -7.324 1.00 3.20 N ATOM 334 CA THR A 189 32.607 15.179 -7.637 1.00 24.43 C ATOM 335 C THR A 189 32.698 13.821 -8.324 1.00 63.01 C ATOM 336 O THR A 189 33.488 13.635 -9.250 1.00 44.33 O ATOM 337 CB THR A 189 33.482 15.158 -6.368 1.00 43.24 C ATOM 338 OG1 THR A 189 34.733 14.520 -6.647 1.00 31.54 O ATOM 339 CG2 THR A 189 32.775 14.429 -5.235 1.00 54.11 C ATOM 0 H THR A 189 31.068 15.794 -6.355 1.00 3.20 H new ATOM 0 HA THR A 189 32.976 15.951 -8.312 1.00 24.43 H new ATOM 0 HB THR A 189 33.661 16.188 -6.059 1.00 43.24 H new ATOM 0 HG1 THR A 189 35.284 14.512 -5.837 1.00 31.54 H new ATOM 0 HG21 THR A 189 33.412 14.427 -4.350 1.00 54.11 H new ATOM 0 HG22 THR A 189 31.837 14.935 -5.006 1.00 54.11 H new ATOM 0 HG23 THR A 189 32.569 13.402 -5.536 1.00 54.11 H new ATOM 347 N ASP A 190 31.886 12.875 -7.867 1.00 23.34 N ATOM 348 CA ASP A 190 31.874 11.534 -8.440 1.00 53.33 C ATOM 349 C ASP A 190 30.620 11.314 -9.280 1.00 34.03 C ATOM 350 O ASP A 190 30.501 10.313 -9.986 1.00 63.20 O ATOM 351 CB ASP A 190 31.953 10.483 -7.333 1.00 35.30 C ATOM 352 CG ASP A 190 32.813 10.931 -6.168 1.00 52.52 C ATOM 353 OD1 ASP A 190 34.050 10.975 -6.327 1.00 14.21 O ATOM 354 OD2 ASP A 190 32.248 11.237 -5.097 1.00 32.24 O ATOM 0 H ASP A 190 31.227 13.012 -7.101 1.00 23.34 H new ATOM 0 HA ASP A 190 32.745 11.434 -9.087 1.00 53.33 H new ATOM 0 HB2 ASP A 190 30.948 10.261 -6.974 1.00 35.30 H new ATOM 0 HB3 ASP A 190 32.356 9.557 -7.743 1.00 35.30 H new ATOM 359 N ASP A 191 29.685 12.254 -9.197 1.00 2.35 N ATOM 360 CA ASP A 191 28.440 12.164 -9.949 1.00 75.54 C ATOM 361 C ASP A 191 27.648 10.924 -9.543 1.00 43.01 C ATOM 362 O ASP A 191 27.297 10.098 -10.385 1.00 31.03 O ATOM 363 CB ASP A 191 28.727 12.131 -11.451 1.00 54.43 C ATOM 364 CG ASP A 191 27.603 12.737 -12.269 1.00 65.55 C ATOM 365 OD1 ASP A 191 27.151 13.847 -11.923 1.00 52.45 O ATOM 366 OD2 ASP A 191 27.175 12.099 -13.254 1.00 44.05 O ATOM 0 H ASP A 191 29.766 13.088 -8.615 1.00 2.35 H new ATOM 0 HA ASP A 191 27.842 13.046 -9.720 1.00 75.54 H new ATOM 0 HB2 ASP A 191 29.652 12.671 -11.653 1.00 54.43 H new ATOM 0 HB3 ASP A 191 28.886 11.099 -11.765 1.00 54.43 H new ATOM 371 N GLN A 192 27.375 10.801 -8.248 1.00 53.34 N ATOM 372 CA GLN A 192 26.627 9.661 -7.731 1.00 75.24 C ATOM 373 C GLN A 192 25.982 9.997 -6.390 1.00 32.44 C ATOM 374 O GLN A 192 26.652 10.457 -5.464 1.00 44.14 O ATOM 375 CB GLN A 192 27.546 8.448 -7.580 1.00 52.12 C ATOM 376 CG GLN A 192 26.801 7.152 -7.301 1.00 62.01 C ATOM 377 CD GLN A 192 26.706 6.259 -8.522 1.00 52.21 C ATOM 378 OE1 GLN A 192 25.672 6.209 -9.190 1.00 63.11 O ATOM 379 NE2 GLN A 192 27.787 5.549 -8.822 1.00 33.30 N ATOM 0 H GLN A 192 27.660 11.476 -7.538 1.00 53.34 H new ATOM 0 HA GLN A 192 25.837 9.422 -8.443 1.00 75.24 H new ATOM 0 HB2 GLN A 192 28.133 8.331 -8.491 1.00 52.12 H new ATOM 0 HB3 GLN A 192 28.250 8.635 -6.769 1.00 52.12 H new ATOM 0 HG2 GLN A 192 27.306 6.613 -6.500 1.00 62.01 H new ATOM 0 HG3 GLN A 192 25.797 7.384 -6.946 1.00 62.01 H new ATOM 0 HE21 GLN A 192 28.622 5.621 -8.241 1.00 33.30 H new ATOM 0 HE22 GLN A 192 27.782 4.931 -9.634 1.00 33.30 H new ATOM 388 N LEU A 193 24.679 9.763 -6.291 1.00 34.42 N ATOM 389 CA LEU A 193 23.942 10.040 -5.062 1.00 51.20 C ATOM 390 C LEU A 193 24.635 9.410 -3.858 1.00 63.53 C ATOM 391 O LEU A 193 25.328 8.400 -3.988 1.00 32.23 O ATOM 392 CB LEU A 193 22.509 9.516 -5.174 1.00 24.55 C ATOM 393 CG LEU A 193 21.401 10.521 -4.862 1.00 10.33 C ATOM 394 CD1 LEU A 193 20.174 10.244 -5.717 1.00 13.34 C ATOM 395 CD2 LEU A 193 21.044 10.480 -3.383 1.00 74.40 C ATOM 0 H LEU A 193 24.110 9.382 -7.047 1.00 34.42 H new ATOM 0 HA LEU A 193 23.916 11.120 -4.918 1.00 51.20 H new ATOM 0 HB2 LEU A 193 22.358 9.142 -6.187 1.00 24.55 H new ATOM 0 HB3 LEU A 193 22.401 8.666 -4.501 1.00 24.55 H new ATOM 0 HG LEU A 193 21.766 11.521 -5.099 1.00 10.33 H new ATOM 0 HD11 LEU A 193 19.395 10.969 -5.481 1.00 13.34 H new ATOM 0 HD12 LEU A 193 20.439 10.326 -6.771 1.00 13.34 H new ATOM 0 HD13 LEU A 193 19.807 9.238 -5.512 1.00 13.34 H new ATOM 0 HD21 LEU A 193 20.253 11.202 -3.179 1.00 74.40 H new ATOM 0 HD22 LEU A 193 20.699 9.480 -3.120 1.00 74.40 H new ATOM 0 HD23 LEU A 193 21.924 10.728 -2.789 1.00 74.40 H new ATOM 407 N ILE A 194 24.442 10.011 -2.690 1.00 73.30 N ATOM 408 CA ILE A 194 25.046 9.506 -1.463 1.00 73.20 C ATOM 409 C ILE A 194 24.135 9.745 -0.263 1.00 24.12 C ATOM 410 O ILE A 194 23.475 10.782 -0.205 1.00 24.14 O ATOM 411 CB ILE A 194 26.412 10.166 -1.196 1.00 21.54 C ATOM 412 CG1 ILE A 194 26.352 11.661 -1.512 1.00 13.41 C ATOM 413 CG2 ILE A 194 27.497 9.488 -2.018 1.00 63.34 C ATOM 414 CD1 ILE A 194 27.070 12.523 -0.497 1.00 71.50 C ATOM 0 H ILE A 194 23.872 10.848 -2.567 1.00 73.30 H new ATOM 0 HA ILE A 194 25.190 8.434 -1.599 1.00 73.20 H new ATOM 0 HB ILE A 194 26.656 10.047 -0.140 1.00 21.54 H new ATOM 0 HG12 ILE A 194 26.788 11.834 -2.496 1.00 13.41 H new ATOM 0 HG13 ILE A 194 25.308 11.971 -1.566 1.00 13.41 H new ATOM 0 HG21 ILE A 194 28.456 9.965 -1.819 1.00 63.34 H new ATOM 0 HG22 ILE A 194 27.553 8.434 -1.747 1.00 63.34 H new ATOM 0 HG23 ILE A 194 27.260 9.578 -3.078 1.00 63.34 H new ATOM 0 HD11 ILE A 194 26.986 13.571 -0.785 1.00 71.50 H new ATOM 0 HD12 ILE A 194 26.620 12.380 0.485 1.00 71.50 H new ATOM 0 HD13 ILE A 194 28.122 12.240 -0.459 1.00 71.50 H new ATOM 426 N CYS A 195 24.121 8.793 0.658 1.00 70.23 N ATOM 427 CA CYS A 195 23.292 8.913 1.845 1.00 35.15 C ATOM 428 C CYS A 195 24.181 9.350 3.011 1.00 0.00 C ATOM 429 O CYS A 195 25.371 9.626 2.856 1.00 61.31 O ATOM 430 CB CYS A 195 22.549 7.611 2.152 1.00 63.14 C ATOM 431 SG CYS A 195 23.710 6.379 2.850 1.00 72.21 S ATOM 0 H CYS A 195 24.670 7.935 0.606 1.00 70.23 H new ATOM 0 HA CYS A 195 22.520 9.664 1.676 1.00 35.15 H new ATOM 0 HB2 CYS A 195 21.740 7.802 2.857 1.00 63.14 H new ATOM 0 HB3 CYS A 195 22.093 7.219 1.243 1.00 63.14 H new ATOM 0 HG CYS A 195 24.756 6.285 2.084 1.00 72.21 H new ATOM 436 N ALA A 196 23.573 9.409 4.191 1.00 72.11 N ATOM 437 CA ALA A 196 24.286 9.805 5.399 1.00 4.21 C ATOM 438 C ALA A 196 25.260 8.720 5.842 1.00 24.53 C ATOM 439 O ALA A 196 26.385 9.010 6.253 1.00 40.44 O ATOM 440 CB ALA A 196 23.300 10.120 6.514 1.00 31.34 C ATOM 0 H ALA A 196 22.588 9.188 4.336 1.00 72.11 H new ATOM 0 HA ALA A 196 24.862 10.703 5.174 1.00 4.21 H new ATOM 0 HB1 ALA A 196 23.846 10.414 7.410 1.00 31.34 H new ATOM 0 HB2 ALA A 196 22.647 10.935 6.203 1.00 31.34 H new ATOM 0 HB3 ALA A 196 22.699 9.236 6.729 1.00 31.34 H new ATOM 446 N LEU A 197 24.824 7.468 5.758 1.00 70.12 N ATOM 447 CA LEU A 197 25.657 6.338 6.151 1.00 65.01 C ATOM 448 C LEU A 197 26.955 6.313 5.349 1.00 60.20 C ATOM 449 O LEU A 197 27.948 5.767 5.826 1.00 34.24 O ATOM 450 CB LEU A 197 24.898 5.025 5.955 1.00 73.04 C ATOM 451 CG LEU A 197 25.445 3.813 6.710 1.00 30.23 C ATOM 452 CD1 LEU A 197 24.383 3.235 7.633 1.00 44.45 C ATOM 453 CD2 LEU A 197 25.939 2.755 5.734 1.00 5.35 C ATOM 0 H LEU A 197 23.897 7.210 5.421 1.00 70.12 H new ATOM 0 HA LEU A 197 25.905 6.452 7.206 1.00 65.01 H new ATOM 0 HB2 LEU A 197 23.862 5.179 6.258 1.00 73.04 H new ATOM 0 HB3 LEU A 197 24.888 4.790 4.891 1.00 73.04 H new ATOM 0 HG LEU A 197 26.288 4.139 7.319 1.00 30.23 H new ATOM 0 HD11 LEU A 197 24.790 2.373 8.162 1.00 44.45 H new ATOM 0 HD12 LEU A 197 24.077 3.992 8.355 1.00 44.45 H new ATOM 0 HD13 LEU A 197 23.520 2.925 7.045 1.00 44.45 H new ATOM 0 HD21 LEU A 197 26.325 1.900 6.289 1.00 5.35 H new ATOM 0 HD22 LEU A 197 25.114 2.433 5.098 1.00 5.35 H new ATOM 0 HD23 LEU A 197 26.732 3.173 5.115 1.00 5.35 H new ATOM 465 N CYS A 198 26.920 6.900 4.161 1.00 15.42 N ATOM 466 CA CYS A 198 28.097 6.940 3.311 1.00 53.35 C ATOM 467 C CYS A 198 28.994 8.085 3.786 1.00 54.11 C ATOM 468 O CYS A 198 30.222 8.020 3.727 1.00 51.42 O ATOM 469 CB CYS A 198 27.722 7.084 1.835 1.00 64.24 C ATOM 470 SG CYS A 198 27.045 5.505 1.204 1.00 61.33 S ATOM 0 H CYS A 198 26.094 7.352 3.768 1.00 15.42 H new ATOM 0 HA CYS A 198 28.640 5.998 3.391 1.00 53.35 H new ATOM 0 HB2 CYS A 198 26.986 7.879 1.714 1.00 64.24 H new ATOM 0 HB3 CYS A 198 28.599 7.371 1.255 1.00 64.24 H new ATOM 0 HG CYS A 198 26.728 5.639 -0.050 1.00 61.33 H new ATOM 475 N LYS A 199 28.349 9.144 4.263 1.00 33.23 N ATOM 476 CA LYS A 199 29.061 10.316 4.758 1.00 41.04 C ATOM 477 C LYS A 199 29.649 10.053 6.140 1.00 72.30 C ATOM 478 O LYS A 199 30.521 10.787 6.605 1.00 11.02 O ATOM 479 CB LYS A 199 28.122 11.523 4.812 1.00 55.02 C ATOM 480 CG LYS A 199 28.028 12.282 3.499 1.00 64.52 C ATOM 481 CD LYS A 199 28.431 13.737 3.665 1.00 34.33 C ATOM 482 CE LYS A 199 27.291 14.568 4.234 1.00 11.21 C ATOM 483 NZ LYS A 199 27.291 15.956 3.690 1.00 21.51 N ATOM 0 H LYS A 199 27.333 9.215 4.317 1.00 33.23 H new ATOM 0 HA LYS A 199 29.879 10.530 4.070 1.00 41.04 H new ATOM 0 HB2 LYS A 199 27.126 11.185 5.098 1.00 55.02 H new ATOM 0 HB3 LYS A 199 28.464 12.204 5.592 1.00 55.02 H new ATOM 0 HG2 LYS A 199 28.671 11.808 2.757 1.00 64.52 H new ATOM 0 HG3 LYS A 199 27.008 12.227 3.119 1.00 64.52 H new ATOM 0 HD2 LYS A 199 29.296 13.803 4.325 1.00 34.33 H new ATOM 0 HD3 LYS A 199 28.734 14.144 2.700 1.00 34.33 H new ATOM 0 HE2 LYS A 199 26.340 14.087 4.003 1.00 11.21 H new ATOM 0 HE3 LYS A 199 27.374 14.604 5.320 1.00 11.21 H new ATOM 0 HZ1 LYS A 199 26.499 16.490 4.102 1.00 21.51 H new ATOM 0 HZ2 LYS A 199 28.188 16.424 3.932 1.00 21.51 H new ATOM 0 HZ3 LYS A 199 27.186 15.924 2.656 1.00 21.51 H new ATOM 497 N LEU A 200 29.167 9.000 6.792 1.00 60.44 N ATOM 498 CA LEU A 200 29.646 8.638 8.121 1.00 4.21 C ATOM 499 C LEU A 200 30.550 7.411 8.058 1.00 40.22 C ATOM 500 O LEU A 200 31.619 7.382 8.669 1.00 43.24 O ATOM 501 CB LEU A 200 28.465 8.368 9.055 1.00 32.01 C ATOM 502 CG LEU A 200 28.607 8.891 10.485 1.00 42.22 C ATOM 503 CD1 LEU A 200 28.645 10.411 10.497 1.00 52.45 C ATOM 504 CD2 LEU A 200 27.470 8.377 11.355 1.00 15.44 C ATOM 0 H LEU A 200 28.445 8.382 6.421 1.00 60.44 H new ATOM 0 HA LEU A 200 30.226 9.474 8.511 1.00 4.21 H new ATOM 0 HB2 LEU A 200 27.571 8.810 8.615 1.00 32.01 H new ATOM 0 HB3 LEU A 200 28.300 7.291 9.098 1.00 32.01 H new ATOM 0 HG LEU A 200 29.547 8.522 10.895 1.00 42.22 H new ATOM 0 HD11 LEU A 200 28.746 10.764 11.523 1.00 52.45 H new ATOM 0 HD12 LEU A 200 29.494 10.758 9.908 1.00 52.45 H new ATOM 0 HD13 LEU A 200 27.722 10.801 10.068 1.00 52.45 H new ATOM 0 HD21 LEU A 200 27.587 8.759 12.369 1.00 15.44 H new ATOM 0 HD22 LEU A 200 26.518 8.716 10.947 1.00 15.44 H new ATOM 0 HD23 LEU A 200 27.490 7.287 11.373 1.00 15.44 H new ATOM 516 N VAL A 201 30.115 6.399 7.315 1.00 51.03 N ATOM 517 CA VAL A 201 30.886 5.171 7.168 1.00 31.31 C ATOM 518 C VAL A 201 31.842 5.259 5.984 1.00 51.55 C ATOM 519 O VAL A 201 33.000 4.854 6.074 1.00 33.22 O ATOM 520 CB VAL A 201 29.966 3.950 6.981 1.00 62.53 C ATOM 521 CG1 VAL A 201 30.784 2.667 6.937 1.00 73.51 C ATOM 522 CG2 VAL A 201 28.927 3.891 8.090 1.00 33.30 C ATOM 0 H VAL A 201 29.232 6.406 6.805 1.00 51.03 H new ATOM 0 HA VAL A 201 31.461 5.047 8.086 1.00 31.31 H new ATOM 0 HB VAL A 201 29.443 4.053 6.030 1.00 62.53 H new ATOM 0 HG11 VAL A 201 30.117 1.815 6.804 1.00 73.51 H new ATOM 0 HG12 VAL A 201 31.486 2.711 6.104 1.00 73.51 H new ATOM 0 HG13 VAL A 201 31.335 2.555 7.871 1.00 73.51 H new ATOM 0 HG21 VAL A 201 28.286 3.022 7.942 1.00 33.30 H new ATOM 0 HG22 VAL A 201 29.428 3.812 9.055 1.00 33.30 H new ATOM 0 HG23 VAL A 201 28.321 4.797 8.070 1.00 33.30 H new ATOM 532 N GLY A 202 31.348 5.794 4.871 1.00 64.05 N ATOM 533 CA GLY A 202 32.171 5.927 3.683 1.00 22.31 C ATOM 534 C GLY A 202 33.211 7.022 3.817 1.00 14.44 C ATOM 535 O GLY A 202 33.692 7.299 4.916 1.00 51.41 O ATOM 0 H GLY A 202 30.393 6.137 4.771 1.00 64.05 H new ATOM 0 HA2 GLY A 202 32.670 4.979 3.483 1.00 22.31 H new ATOM 0 HA3 GLY A 202 31.533 6.139 2.825 1.00 22.31 H new ATOM 539 N ARG A 203 33.559 7.646 2.696 1.00 63.20 N ATOM 540 CA ARG A 203 34.551 8.714 2.693 1.00 13.43 C ATOM 541 C ARG A 203 34.059 9.910 1.882 1.00 22.03 C ATOM 542 O ARG A 203 34.855 10.722 1.409 1.00 25.14 O ATOM 543 CB ARG A 203 35.876 8.207 2.122 1.00 5.11 C ATOM 544 CG ARG A 203 37.100 8.800 2.802 1.00 41.04 C ATOM 545 CD ARG A 203 38.257 8.957 1.828 1.00 14.41 C ATOM 546 NE ARG A 203 38.792 10.316 1.830 1.00 45.41 N ATOM 547 CZ ARG A 203 39.939 10.655 1.250 1.00 11.33 C ATOM 548 NH1 ARG A 203 40.667 9.739 0.627 1.00 52.11 N ATOM 549 NH2 ARG A 203 40.360 11.912 1.295 1.00 11.43 N ATOM 0 H ARG A 203 33.169 7.430 1.779 1.00 63.20 H new ATOM 0 HA ARG A 203 34.707 9.034 3.723 1.00 13.43 H new ATOM 0 HB2 ARG A 203 35.910 7.121 2.214 1.00 5.11 H new ATOM 0 HB3 ARG A 203 35.915 8.438 1.057 1.00 5.11 H new ATOM 0 HG2 ARG A 203 36.847 9.771 3.227 1.00 41.04 H new ATOM 0 HG3 ARG A 203 37.404 8.159 3.630 1.00 41.04 H new ATOM 0 HD2 ARG A 203 39.049 8.255 2.089 1.00 14.41 H new ATOM 0 HD3 ARG A 203 37.922 8.700 0.823 1.00 14.41 H new ATOM 0 HE ARG A 203 38.256 11.045 2.302 1.00 45.41 H new ATOM 0 HH11 ARG A 203 40.347 8.771 0.592 1.00 52.11 H new ATOM 0 HH12 ARG A 203 41.547 10.002 0.183 1.00 52.11 H new ATOM 0 HH21 ARG A 203 39.803 12.619 1.775 1.00 11.43 H new ATOM 0 HH22 ARG A 203 41.240 12.171 0.850 1.00 11.43 H new ATOM 563 N HIS A 204 32.744 10.011 1.726 1.00 13.22 N ATOM 564 CA HIS A 204 32.146 11.108 0.972 1.00 35.30 C ATOM 565 C HIS A 204 31.840 12.292 1.884 1.00 23.13 C ATOM 566 O HIS A 204 30.742 12.847 1.849 1.00 4.31 O ATOM 567 CB HIS A 204 30.865 10.639 0.278 1.00 24.42 C ATOM 568 CG HIS A 204 31.068 9.454 -0.615 1.00 10.33 C ATOM 569 ND1 HIS A 204 31.587 9.551 -1.888 1.00 64.30 N ATOM 570 CD2 HIS A 204 30.819 8.139 -0.411 1.00 34.21 C ATOM 571 CE1 HIS A 204 31.648 8.348 -2.430 1.00 13.03 C ATOM 572 NE2 HIS A 204 31.187 7.473 -1.554 1.00 13.21 N ATOM 0 H HIS A 204 32.072 9.348 2.111 1.00 13.22 H new ATOM 0 HA HIS A 204 32.863 11.430 0.217 1.00 35.30 H new ATOM 0 HB2 HIS A 204 30.121 10.390 1.035 1.00 24.42 H new ATOM 0 HB3 HIS A 204 30.458 11.462 -0.310 1.00 24.42 H new ATOM 0 HD1 HIS A 204 31.879 10.417 -2.341 1.00 64.30 H new ATOM 0 HD2 HIS A 204 30.408 7.696 0.484 1.00 34.21 H new ATOM 0 HE1 HIS A 204 32.013 8.119 -3.420 1.00 13.03 H new ATOM 579 N ARG A 205 32.818 12.671 2.700 1.00 51.52 N ATOM 580 CA ARG A 205 32.653 13.787 3.623 1.00 54.20 C ATOM 581 C ARG A 205 33.169 15.084 3.007 1.00 60.35 C ATOM 582 O ARG A 205 32.482 16.106 3.018 1.00 71.44 O ATOM 583 CB ARG A 205 33.387 13.506 4.935 1.00 51.13 C ATOM 584 CG ARG A 205 32.505 12.887 6.007 1.00 21.10 C ATOM 585 CD ARG A 205 33.022 13.199 7.403 1.00 62.34 C ATOM 586 NE ARG A 205 32.041 13.932 8.198 1.00 24.12 N ATOM 587 CZ ARG A 205 32.219 14.246 9.477 1.00 73.33 C ATOM 588 NH1 ARG A 205 33.334 13.893 10.100 1.00 33.11 N ATOM 589 NH2 ARG A 205 31.280 14.915 10.134 1.00 43.11 N ATOM 0 H ARG A 205 33.733 12.222 2.741 1.00 51.52 H new ATOM 0 HA ARG A 205 31.588 13.901 3.828 1.00 54.20 H new ATOM 0 HB2 ARG A 205 34.225 12.838 4.736 1.00 51.13 H new ATOM 0 HB3 ARG A 205 33.805 14.438 5.314 1.00 51.13 H new ATOM 0 HG2 ARG A 205 31.487 13.262 5.903 1.00 21.10 H new ATOM 0 HG3 ARG A 205 32.463 11.807 5.866 1.00 21.10 H new ATOM 0 HD2 ARG A 205 33.279 12.269 7.911 1.00 62.34 H new ATOM 0 HD3 ARG A 205 33.938 13.785 7.328 1.00 62.34 H new ATOM 0 HE ARG A 205 31.172 14.219 7.747 1.00 24.12 H new ATOM 0 HH11 ARG A 205 34.058 13.379 9.598 1.00 33.11 H new ATOM 0 HH12 ARG A 205 33.468 14.135 11.082 1.00 33.11 H new ATOM 0 HH21 ARG A 205 30.421 15.189 9.657 1.00 43.11 H new ATOM 0 HH22 ARG A 205 31.417 15.156 11.116 1.00 43.11 H new ATOM 603 N ASP A 206 34.383 15.035 2.469 1.00 31.42 N ATOM 604 CA ASP A 206 34.992 16.205 1.847 1.00 32.14 C ATOM 605 C ASP A 206 34.495 16.380 0.417 1.00 75.24 C ATOM 606 O ASP A 206 34.899 17.309 -0.284 1.00 10.10 O ATOM 607 CB ASP A 206 36.516 16.079 1.859 1.00 51.51 C ATOM 608 CG ASP A 206 37.034 15.211 0.730 1.00 42.22 C ATOM 609 OD1 ASP A 206 36.881 13.975 0.815 1.00 63.30 O ATOM 610 OD2 ASP A 206 37.593 15.767 -0.239 1.00 24.24 O ATOM 0 H ASP A 206 34.965 14.197 2.451 1.00 31.42 H new ATOM 0 HA ASP A 206 34.703 17.084 2.423 1.00 32.14 H new ATOM 0 HB2 ASP A 206 36.960 17.071 1.783 1.00 51.51 H new ATOM 0 HB3 ASP A 206 36.835 15.658 2.813 1.00 51.51 H new ATOM 615 N HIS A 207 33.614 15.481 -0.014 1.00 3.33 N ATOM 616 CA HIS A 207 33.062 15.536 -1.362 1.00 70.12 C ATOM 617 C HIS A 207 31.942 16.570 -1.448 1.00 62.13 C ATOM 618 O HIS A 207 30.943 16.476 -0.736 1.00 24.34 O ATOM 619 CB HIS A 207 32.536 14.161 -1.777 1.00 41.52 C ATOM 620 CG HIS A 207 33.617 13.149 -1.999 1.00 72.22 C ATOM 621 ND1 HIS A 207 33.373 11.882 -2.487 1.00 13.05 N ATOM 622 CD2 HIS A 207 34.954 13.223 -1.800 1.00 14.40 C ATOM 623 CE1 HIS A 207 34.512 11.220 -2.575 1.00 3.42 C ATOM 624 NE2 HIS A 207 35.487 12.012 -2.165 1.00 20.31 N ATOM 0 H HIS A 207 33.268 14.706 0.552 1.00 3.33 H new ATOM 0 HA HIS A 207 33.860 15.832 -2.043 1.00 70.12 H new ATOM 0 HB2 HIS A 207 31.858 13.793 -1.007 1.00 41.52 H new ATOM 0 HB3 HIS A 207 31.953 14.265 -2.692 1.00 41.52 H new ATOM 0 HD2 HIS A 207 35.500 14.076 -1.424 1.00 14.40 H new ATOM 0 HE1 HIS A 207 34.627 10.204 -2.923 1.00 3.42 H new ATOM 0 HE2 HIS A 207 36.476 11.764 -2.126 1.00 20.31 H new ATOM 631 N GLN A 208 32.117 17.554 -2.324 1.00 64.35 N ATOM 632 CA GLN A 208 31.122 18.604 -2.502 1.00 43.43 C ATOM 633 C GLN A 208 29.781 18.017 -2.929 1.00 21.34 C ATOM 634 O GLN A 208 29.725 16.943 -3.529 1.00 12.31 O ATOM 635 CB GLN A 208 31.602 19.620 -3.541 1.00 20.22 C ATOM 636 CG GLN A 208 31.266 21.059 -3.184 1.00 35.41 C ATOM 637 CD GLN A 208 32.468 21.978 -3.271 1.00 64.44 C ATOM 638 OE1 GLN A 208 33.424 21.841 -2.507 1.00 40.54 O ATOM 639 NE2 GLN A 208 32.427 22.920 -4.205 1.00 73.05 N ATOM 0 H GLN A 208 32.939 17.646 -2.921 1.00 64.35 H new ATOM 0 HA GLN A 208 30.988 19.109 -1.545 1.00 43.43 H new ATOM 0 HB2 GLN A 208 32.682 19.526 -3.658 1.00 20.22 H new ATOM 0 HB3 GLN A 208 31.155 19.380 -4.506 1.00 20.22 H new ATOM 0 HG2 GLN A 208 30.486 21.423 -3.853 1.00 35.41 H new ATOM 0 HG3 GLN A 208 30.860 21.093 -2.173 1.00 35.41 H new ATOM 0 HE21 GLN A 208 31.614 22.997 -4.816 1.00 73.05 H new ATOM 0 HE22 GLN A 208 33.208 23.567 -4.311 1.00 73.05 H new ATOM 648 N VAL A 209 28.702 18.728 -2.615 1.00 64.50 N ATOM 649 CA VAL A 209 27.362 18.278 -2.968 1.00 34.45 C ATOM 650 C VAL A 209 26.442 19.460 -3.251 1.00 73.43 C ATOM 651 O VAL A 209 26.884 20.607 -3.295 1.00 0.11 O ATOM 652 CB VAL A 209 26.746 17.419 -1.846 1.00 52.54 C ATOM 653 CG1 VAL A 209 27.654 16.247 -1.511 1.00 20.14 C ATOM 654 CG2 VAL A 209 26.478 18.268 -0.612 1.00 64.22 C ATOM 0 H VAL A 209 28.731 19.618 -2.117 1.00 64.50 H new ATOM 0 HA VAL A 209 27.458 17.673 -3.869 1.00 34.45 H new ATOM 0 HB VAL A 209 25.795 17.020 -2.198 1.00 52.54 H new ATOM 0 HG11 VAL A 209 27.202 15.652 -0.717 1.00 20.14 H new ATOM 0 HG12 VAL A 209 27.789 15.627 -2.397 1.00 20.14 H new ATOM 0 HG13 VAL A 209 28.623 16.621 -1.178 1.00 20.14 H new ATOM 0 HG21 VAL A 209 26.043 17.646 0.170 1.00 64.22 H new ATOM 0 HG22 VAL A 209 27.414 18.698 -0.256 1.00 64.22 H new ATOM 0 HG23 VAL A 209 25.784 19.070 -0.866 1.00 64.22 H new ATOM 664 N ALA A 210 25.159 19.171 -3.442 1.00 52.45 N ATOM 665 CA ALA A 210 24.175 20.211 -3.720 1.00 34.22 C ATOM 666 C ALA A 210 22.985 20.109 -2.771 1.00 23.41 C ATOM 667 O ALA A 210 22.160 19.204 -2.891 1.00 32.30 O ATOM 668 CB ALA A 210 23.708 20.124 -5.166 1.00 0.33 C ATOM 0 H ALA A 210 24.777 18.226 -3.409 1.00 52.45 H new ATOM 0 HA ALA A 210 24.651 21.178 -3.561 1.00 34.22 H new ATOM 0 HB1 ALA A 210 22.974 20.906 -5.359 1.00 0.33 H new ATOM 0 HB2 ALA A 210 24.561 20.254 -5.832 1.00 0.33 H new ATOM 0 HB3 ALA A 210 23.254 19.149 -5.344 1.00 0.33 H new