USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 375 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 221 CYS SG : rot 90:sc= 0.436 USER MOD Set 1.2: A 223 ASN : amide:sc= -0.09 K(o=-3.7,f=-5.5!) USER MOD Set 1.3: A 225 CYS SG : rot -72:sc= -1.02 USER MOD Set 1.4: A 238 HIS : no HD1:sc= -3.11 K(o=-3.7,f=-8.1!) USER MOD Set 1.5: A 242 SER OG : rot -124:sc= 0.61 USER MOD Set 1.6: A 243 CYS SG : rot 109:sc= -0.57 USER MOD Set 2.1: A 195 CYS SG : rot 120:sc= 0.711 USER MOD Set 2.2: A 198 CYS SG : rot -59:sc= -2.47 USER MOD Set 2.3: A 210 HIS : no HD1:sc= -0.454 X(o=-4.6,f=-4.8) USER MOD Set 2.4: A 214 CYS SG : rot 162:sc= -2.41 USER MOD Single : A 192 THR OG1 : rot -27:sc= 0.0654 USER MOD Single : A 193 GLN : amide:sc= -8.57! C(o=-8.6!,f=-5.3!) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 4:sc= 0.588 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -33:sc= 0.305 USER MOD Single : A 208 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.024) USER MOD Single : A 209 SER OG : rot -17:sc= 0.392 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.492 K(o=-0.49,f=-2.1!) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -16.684 -10.321 7.459 1.00 0.00 N ATOM 113 CA THR A 192 -15.417 -9.620 7.289 1.00 0.00 C ATOM 114 C THR A 192 -14.582 -9.677 8.563 1.00 0.00 C ATOM 115 O THR A 192 -15.121 -9.716 9.668 1.00 0.00 O ATOM 116 CB THR A 192 -15.639 -8.147 6.900 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.419 -7.486 7.903 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.341 -8.042 5.554 1.00 0.00 C ATOM 0 HA THR A 192 -14.882 -10.124 6.484 1.00 0.00 H new ATOM 0 HB THR A 192 -14.664 -7.665 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 192 -16.985 -8.141 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.487 -6.992 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.731 -8.519 4.787 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.309 -8.540 5.609 1.00 0.00 H new ATOM 126 N GLN A 193 -13.263 -9.682 8.400 1.00 0.00 N ATOM 127 CA GLN A 193 -12.353 -9.734 9.538 1.00 0.00 C ATOM 128 C GLN A 193 -11.550 -8.443 9.653 1.00 0.00 C ATOM 129 O GLN A 193 -10.846 -8.037 8.728 1.00 0.00 O ATOM 130 CB GLN A 193 -11.406 -10.928 9.407 1.00 0.00 C ATOM 131 CG GLN A 193 -10.635 -10.952 8.097 1.00 0.00 C ATOM 132 CD GLN A 193 -10.057 -12.318 7.784 1.00 0.00 C ATOM 133 OE1 GLN A 193 -8.922 -12.624 8.151 1.00 0.00 O ATOM 134 NE2 GLN A 193 -10.837 -13.149 7.103 1.00 0.00 N ATOM 0 H GLN A 193 -12.801 -9.651 7.491 1.00 0.00 H new ATOM 0 HA GLN A 193 -12.950 -9.850 10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -10.698 -10.912 10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.982 -11.849 9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -11.296 -10.647 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -9.827 -10.222 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -11.771 -12.854 6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -10.502 -14.082 6.864 1.00 0.00 H new ATOM 143 N PRO A 194 -11.656 -7.781 10.814 1.00 0.00 N ATOM 144 CA PRO A 194 -10.946 -6.525 11.078 1.00 0.00 C ATOM 145 C PRO A 194 -9.441 -6.729 11.218 1.00 0.00 C ATOM 146 O PRO A 194 -8.955 -7.131 12.276 1.00 0.00 O ATOM 147 CB PRO A 194 -11.547 -6.049 12.402 1.00 0.00 C ATOM 148 CG PRO A 194 -12.031 -7.291 13.067 1.00 0.00 C ATOM 149 CD PRO A 194 -12.477 -8.207 11.960 1.00 0.00 C ATOM 0 HA PRO A 194 -11.061 -5.812 10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -10.803 -5.537 13.013 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.363 -5.345 12.236 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.239 -7.751 13.659 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -12.853 -7.074 13.749 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -12.305 -9.254 12.211 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -13.542 -8.099 11.754 1.00 0.00 H new ATOM 157 N CYS A 195 -8.708 -6.449 10.146 1.00 0.00 N ATOM 158 CA CYS A 195 -7.258 -6.601 10.150 1.00 0.00 C ATOM 159 C CYS A 195 -6.640 -5.890 11.349 1.00 0.00 C ATOM 160 O CYS A 195 -7.103 -4.826 11.762 1.00 0.00 O ATOM 161 CB CYS A 195 -6.663 -6.049 8.853 1.00 0.00 C ATOM 162 SG CYS A 195 -4.858 -6.250 8.718 1.00 0.00 S ATOM 0 H CYS A 195 -9.094 -6.115 9.263 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.029 -7.664 10.223 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.137 -6.547 8.007 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.906 -4.989 8.776 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.579 -6.970 7.672 1.00 0.00 H new ATOM 167 N THR A 196 -5.589 -6.485 11.906 1.00 0.00 N ATOM 168 CA THR A 196 -4.907 -5.910 13.059 1.00 0.00 C ATOM 169 C THR A 196 -3.827 -4.925 12.624 1.00 0.00 C ATOM 170 O THR A 196 -3.475 -4.008 13.366 1.00 0.00 O ATOM 171 CB THR A 196 -4.266 -7.003 13.935 1.00 0.00 C ATOM 172 OG1 THR A 196 -5.265 -7.935 14.363 1.00 0.00 O ATOM 173 CG2 THR A 196 -3.582 -6.391 15.149 1.00 0.00 C ATOM 0 H THR A 196 -5.192 -7.365 11.577 1.00 0.00 H new ATOM 0 HA THR A 196 -5.662 -5.383 13.643 1.00 0.00 H new ATOM 0 HB THR A 196 -3.516 -7.523 13.339 1.00 0.00 H new ATOM 0 HG1 THR A 196 -4.850 -8.628 14.918 1.00 0.00 H new ATOM 0 HG21 THR A 196 -3.137 -7.182 15.753 1.00 0.00 H new ATOM 0 HG22 THR A 196 -2.803 -5.703 14.820 1.00 0.00 H new ATOM 0 HG23 THR A 196 -4.316 -5.849 15.745 1.00 0.00 H new ATOM 181 N TYR A 197 -3.306 -5.121 11.418 1.00 0.00 N ATOM 182 CA TYR A 197 -2.265 -4.250 10.885 1.00 0.00 C ATOM 183 C TYR A 197 -2.836 -2.888 10.504 1.00 0.00 C ATOM 184 O TYR A 197 -2.556 -1.880 11.154 1.00 0.00 O ATOM 185 CB TYR A 197 -1.604 -4.897 9.666 1.00 0.00 C ATOM 186 CG TYR A 197 -1.233 -6.348 9.877 1.00 0.00 C ATOM 187 CD1 TYR A 197 -0.436 -6.733 10.948 1.00 0.00 C ATOM 188 CD2 TYR A 197 -1.681 -7.334 9.006 1.00 0.00 C ATOM 189 CE1 TYR A 197 -0.094 -8.057 11.144 1.00 0.00 C ATOM 190 CE2 TYR A 197 -1.345 -8.660 9.196 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.551 -9.017 10.266 1.00 0.00 C ATOM 192 OH TYR A 197 -0.214 -10.337 10.459 1.00 0.00 O ATOM 0 H TYR A 197 -3.587 -5.875 10.791 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.515 -4.105 11.663 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.281 -4.824 8.815 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -0.706 -4.335 9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -0.078 -5.984 11.639 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -2.302 -7.059 8.167 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.528 -8.339 11.981 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -1.702 -9.414 8.510 1.00 0.00 H new ATOM 0 HH TYR A 197 -0.618 -10.884 9.753 1.00 0.00 H new ATOM 202 N CYS A 198 -3.639 -2.865 9.445 1.00 0.00 N ATOM 203 CA CYS A 198 -4.251 -1.628 8.976 1.00 0.00 C ATOM 204 C CYS A 198 -5.430 -1.234 9.861 1.00 0.00 C ATOM 205 O CYS A 198 -6.046 -0.185 9.666 1.00 0.00 O ATOM 206 CB CYS A 198 -4.716 -1.783 7.527 1.00 0.00 C ATOM 207 SG CYS A 198 -5.964 -3.087 7.282 1.00 0.00 S ATOM 0 H CYS A 198 -3.881 -3.690 8.896 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.501 -0.838 9.028 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -5.127 -0.833 7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.851 -2.000 6.900 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.480 -4.230 7.669 1.00 0.00 H new ATOM 212 N THR A 199 -5.740 -2.083 10.836 1.00 0.00 N ATOM 213 CA THR A 199 -6.845 -1.825 11.751 1.00 0.00 C ATOM 214 C THR A 199 -8.129 -1.517 10.989 1.00 0.00 C ATOM 215 O THR A 199 -8.973 -0.753 11.458 1.00 0.00 O ATOM 216 CB THR A 199 -6.529 -0.652 12.698 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.433 0.567 11.952 1.00 0.00 O ATOM 218 CG2 THR A 199 -5.228 -0.897 13.448 1.00 0.00 C ATOM 0 H THR A 199 -5.241 -2.955 11.012 1.00 0.00 H new ATOM 0 HA THR A 199 -6.984 -2.731 12.341 1.00 0.00 H new ATOM 0 HB THR A 199 -7.338 -0.571 13.424 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.657 0.395 11.014 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.026 -0.055 14.110 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.314 -1.810 14.037 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.411 -1.001 12.734 1.00 0.00 H new ATOM 226 N LYS A 200 -8.272 -2.117 9.813 1.00 0.00 N ATOM 227 CA LYS A 200 -9.455 -1.909 8.986 1.00 0.00 C ATOM 228 C LYS A 200 -10.256 -3.200 8.847 1.00 0.00 C ATOM 229 O LYS A 200 -9.852 -4.248 9.349 1.00 0.00 O ATOM 230 CB LYS A 200 -9.050 -1.396 7.602 1.00 0.00 C ATOM 231 CG LYS A 200 -8.396 -0.025 7.628 1.00 0.00 C ATOM 232 CD LYS A 200 -8.467 0.653 6.270 1.00 0.00 C ATOM 233 CE LYS A 200 -9.773 1.412 6.094 1.00 0.00 C ATOM 234 NZ LYS A 200 -9.840 2.101 4.776 1.00 0.00 N ATOM 0 H LYS A 200 -7.583 -2.752 9.410 1.00 0.00 H new ATOM 0 HA LYS A 200 -10.083 -1.164 9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -8.362 -2.109 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.934 -1.355 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.888 0.600 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.354 -0.124 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -7.628 1.340 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -8.371 -0.095 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -10.610 0.720 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -9.877 2.146 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -10.745 2.607 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -9.056 2.780 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -9.766 1.398 4.013 1.00 0.00 H new ATOM 248 N GLU A 201 -11.392 -3.115 8.161 1.00 0.00 N ATOM 249 CA GLU A 201 -12.248 -4.277 7.957 1.00 0.00 C ATOM 250 C GLU A 201 -12.158 -4.773 6.516 1.00 0.00 C ATOM 251 O GLU A 201 -12.346 -4.006 5.571 1.00 0.00 O ATOM 252 CB GLU A 201 -13.699 -3.936 8.300 1.00 0.00 C ATOM 253 CG GLU A 201 -13.909 -3.572 9.761 1.00 0.00 C ATOM 254 CD GLU A 201 -15.373 -3.573 10.157 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.105 -2.659 9.722 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.786 -4.485 10.902 1.00 0.00 O ATOM 0 H GLU A 201 -11.740 -2.255 7.738 1.00 0.00 H new ATOM 0 HA GLU A 201 -11.903 -5.071 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -14.025 -3.104 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.332 -4.788 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.366 -4.278 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.486 -2.586 9.950 1.00 0.00 H new ATOM 263 N PHE A 202 -11.869 -6.060 6.356 1.00 0.00 N ATOM 264 CA PHE A 202 -11.752 -6.658 5.031 1.00 0.00 C ATOM 265 C PHE A 202 -12.411 -8.034 4.996 1.00 0.00 C ATOM 266 O PHE A 202 -12.488 -8.724 6.012 1.00 0.00 O ATOM 267 CB PHE A 202 -10.280 -6.775 4.629 1.00 0.00 C ATOM 268 CG PHE A 202 -9.681 -5.478 4.166 1.00 0.00 C ATOM 269 CD1 PHE A 202 -10.040 -4.930 2.945 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.758 -4.806 4.952 1.00 0.00 C ATOM 271 CE1 PHE A 202 -9.489 -3.737 2.516 1.00 0.00 C ATOM 272 CE2 PHE A 202 -8.204 -3.613 4.529 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.571 -3.077 3.310 1.00 0.00 C ATOM 0 H PHE A 202 -11.712 -6.709 7.127 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.265 -6.010 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.708 -7.147 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.186 -7.514 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.759 -5.441 2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.468 -5.220 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.776 -3.321 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.485 -3.100 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 202 -8.141 -2.144 2.978 1.00 0.00 H new ATOM 283 N VAL A 203 -12.886 -8.426 3.818 1.00 0.00 N ATOM 284 CA VAL A 203 -13.539 -9.718 3.648 1.00 0.00 C ATOM 285 C VAL A 203 -12.516 -10.848 3.596 1.00 0.00 C ATOM 286 O VAL A 203 -11.510 -10.756 2.892 1.00 0.00 O ATOM 287 CB VAL A 203 -14.392 -9.753 2.366 1.00 0.00 C ATOM 288 CG1 VAL A 203 -13.520 -9.538 1.139 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.151 -11.067 2.267 1.00 0.00 C ATOM 0 H VAL A 203 -12.831 -7.867 2.967 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.189 -9.859 4.511 1.00 0.00 H new ATOM 0 HB VAL A 203 -15.119 -8.942 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.140 -9.566 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -13.026 -8.569 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -12.768 -10.325 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -15.748 -11.074 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -14.443 -11.895 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -15.807 -11.175 3.131 1.00 0.00 H new ATOM 299 N PHE A 204 -12.780 -11.913 4.344 1.00 0.00 N ATOM 300 CA PHE A 204 -11.882 -13.061 4.384 1.00 0.00 C ATOM 301 C PHE A 204 -11.535 -13.529 2.974 1.00 0.00 C ATOM 302 O PHE A 204 -10.524 -14.198 2.761 1.00 0.00 O ATOM 303 CB PHE A 204 -12.521 -14.208 5.171 1.00 0.00 C ATOM 304 CG PHE A 204 -13.303 -15.161 4.313 1.00 0.00 C ATOM 305 CD1 PHE A 204 -14.630 -14.909 4.007 1.00 0.00 C ATOM 306 CD2 PHE A 204 -12.710 -16.310 3.814 1.00 0.00 C ATOM 307 CE1 PHE A 204 -15.353 -15.784 3.218 1.00 0.00 C ATOM 308 CE2 PHE A 204 -13.428 -17.189 3.024 1.00 0.00 C ATOM 309 CZ PHE A 204 -14.751 -16.926 2.726 1.00 0.00 C ATOM 0 H PHE A 204 -13.609 -12.005 4.931 1.00 0.00 H new ATOM 0 HA PHE A 204 -10.963 -12.754 4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -11.739 -14.760 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -13.181 -13.792 5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -15.106 -14.018 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -11.676 -16.521 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -16.387 -15.575 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -12.955 -18.081 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 204 -15.314 -17.612 2.110 1.00 0.00 H new ATOM 319 N ASP A 205 -12.381 -13.172 2.014 1.00 0.00 N ATOM 320 CA ASP A 205 -12.165 -13.554 0.623 1.00 0.00 C ATOM 321 C ASP A 205 -10.947 -12.839 0.046 1.00 0.00 C ATOM 322 O ASP A 205 -10.231 -13.386 -0.794 1.00 0.00 O ATOM 323 CB ASP A 205 -13.404 -13.235 -0.215 1.00 0.00 C ATOM 324 CG ASP A 205 -13.134 -13.321 -1.704 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.323 -12.516 -2.208 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.734 -14.194 -2.366 1.00 0.00 O ATOM 0 H ASP A 205 -13.223 -12.619 2.173 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.982 -14.628 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.204 -13.927 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.757 -12.233 0.030 1.00 0.00 H new ATOM 331 N THR A 206 -10.718 -11.611 0.501 1.00 0.00 N ATOM 332 CA THR A 206 -9.589 -10.820 0.029 1.00 0.00 C ATOM 333 C THR A 206 -8.450 -10.827 1.043 1.00 0.00 C ATOM 334 O THR A 206 -7.277 -10.877 0.671 1.00 0.00 O ATOM 335 CB THR A 206 -10.002 -9.362 -0.250 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.363 -8.712 0.973 1.00 0.00 O ATOM 337 CG2 THR A 206 -11.170 -9.308 -1.223 1.00 0.00 C ATOM 0 H THR A 206 -11.300 -11.143 1.196 1.00 0.00 H new ATOM 0 HA THR A 206 -9.249 -11.278 -0.900 1.00 0.00 H new ATOM 0 HB THR A 206 -9.152 -8.846 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.780 -9.361 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.444 -8.269 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.882 -9.777 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 206 -12.022 -9.839 -0.799 1.00 0.00 H new ATOM 345 N ILE A 207 -8.803 -10.779 2.323 1.00 0.00 N ATOM 346 CA ILE A 207 -7.809 -10.782 3.389 1.00 0.00 C ATOM 347 C ILE A 207 -6.592 -11.616 3.004 1.00 0.00 C ATOM 348 O ILE A 207 -5.457 -11.256 3.317 1.00 0.00 O ATOM 349 CB ILE A 207 -8.396 -11.329 4.704 1.00 0.00 C ATOM 350 CG1 ILE A 207 -7.641 -10.753 5.903 1.00 0.00 C ATOM 351 CG2 ILE A 207 -8.341 -12.850 4.716 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.146 -9.396 6.340 1.00 0.00 C ATOM 0 H ILE A 207 -9.769 -10.738 2.647 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.504 -9.746 3.539 1.00 0.00 H new ATOM 0 HB ILE A 207 -9.440 -11.022 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -7.720 -11.448 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -6.583 -10.675 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -8.759 -13.222 5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -8.919 -13.242 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -7.305 -13.177 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.565 -9.049 7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.042 -8.687 5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.196 -9.472 6.622 1.00 0.00 H new ATOM 364 N GLN A 208 -6.836 -12.729 2.320 1.00 0.00 N ATOM 365 CA GLN A 208 -5.759 -13.613 1.891 1.00 0.00 C ATOM 366 C GLN A 208 -4.729 -12.853 1.062 1.00 0.00 C ATOM 367 O GLN A 208 -3.528 -12.937 1.317 1.00 0.00 O ATOM 368 CB GLN A 208 -6.322 -14.781 1.080 1.00 0.00 C ATOM 369 CG GLN A 208 -7.244 -15.688 1.879 1.00 0.00 C ATOM 370 CD GLN A 208 -6.511 -16.466 2.953 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.874 -16.417 4.129 1.00 0.00 O ATOM 372 NE2 GLN A 208 -5.472 -17.190 2.555 1.00 0.00 N ATOM 0 H GLN A 208 -7.770 -13.040 2.051 1.00 0.00 H new ATOM 0 HA GLN A 208 -5.266 -14.003 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -6.867 -14.387 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -5.495 -15.372 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.027 -15.087 2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -7.736 -16.386 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -5.206 -17.202 1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -4.940 -17.734 3.234 1.00 0.00 H new ATOM 381 N SER A 209 -5.207 -12.111 0.068 1.00 0.00 N ATOM 382 CA SER A 209 -4.327 -11.339 -0.802 1.00 0.00 C ATOM 383 C SER A 209 -3.971 -10.000 -0.164 1.00 0.00 C ATOM 384 O SER A 209 -2.839 -9.529 -0.273 1.00 0.00 O ATOM 385 CB SER A 209 -4.992 -11.109 -2.161 1.00 0.00 C ATOM 386 OG SER A 209 -6.237 -10.448 -2.014 1.00 0.00 O ATOM 0 H SER A 209 -6.199 -12.028 -0.155 1.00 0.00 H new ATOM 0 HA SER A 209 -3.409 -11.908 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 209 -4.334 -10.515 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.141 -12.065 -2.663 1.00 0.00 H new ATOM 0 HG SER A 209 -6.536 -10.517 -1.083 1.00 0.00 H new ATOM 392 N HIS A 210 -4.947 -9.392 0.503 1.00 0.00 N ATOM 393 CA HIS A 210 -4.737 -8.106 1.160 1.00 0.00 C ATOM 394 C HIS A 210 -3.543 -8.169 2.107 1.00 0.00 C ATOM 395 O HIS A 210 -2.699 -7.273 2.116 1.00 0.00 O ATOM 396 CB HIS A 210 -5.992 -7.693 1.930 1.00 0.00 C ATOM 397 CG HIS A 210 -5.710 -6.804 3.102 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.330 -5.484 2.971 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.756 -7.050 4.432 1.00 0.00 C ATOM 400 CE1 HIS A 210 -5.153 -4.959 4.170 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.406 -5.888 5.074 1.00 0.00 N ATOM 0 H HIS A 210 -5.890 -9.768 0.603 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.530 -7.362 0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.673 -7.180 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.505 -8.589 2.279 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -6.019 -7.986 4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.852 -3.942 4.376 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -5.350 -5.763 6.085 1.00 0.00 H new ATOM 409 N GLN A 211 -3.479 -9.231 2.903 1.00 0.00 N ATOM 410 CA GLN A 211 -2.388 -9.408 3.855 1.00 0.00 C ATOM 411 C GLN A 211 -1.065 -8.941 3.258 1.00 0.00 C ATOM 412 O GLN A 211 -0.233 -8.355 3.951 1.00 0.00 O ATOM 413 CB GLN A 211 -2.283 -10.875 4.274 1.00 0.00 C ATOM 414 CG GLN A 211 -3.130 -11.223 5.488 1.00 0.00 C ATOM 415 CD GLN A 211 -2.625 -12.451 6.219 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.388 -12.415 7.427 1.00 0.00 O ATOM 417 NE2 GLN A 211 -2.456 -13.548 5.490 1.00 0.00 N ATOM 0 H GLN A 211 -4.169 -9.982 2.908 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.603 -8.801 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.585 -11.506 3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.240 -11.109 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.141 -10.376 6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.160 -11.391 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -2.665 -13.534 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -2.118 -14.405 5.928 1.00 0.00 H new ATOM 426 N TYR A 212 -0.876 -9.205 1.970 1.00 0.00 N ATOM 427 CA TYR A 212 0.348 -8.814 1.281 1.00 0.00 C ATOM 428 C TYR A 212 0.395 -7.304 1.068 1.00 0.00 C ATOM 429 O TYR A 212 1.369 -6.645 1.431 1.00 0.00 O ATOM 430 CB TYR A 212 0.453 -9.533 -0.064 1.00 0.00 C ATOM 431 CG TYR A 212 0.867 -10.983 0.055 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.044 -11.913 0.677 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.083 -11.422 -0.457 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.420 -13.237 0.789 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.466 -12.745 -0.351 1.00 0.00 C ATOM 436 CZ TYR A 212 1.631 -13.649 0.273 1.00 0.00 C ATOM 437 OH TYR A 212 2.008 -14.968 0.381 1.00 0.00 O ATOM 0 H TYR A 212 -1.555 -9.688 1.382 1.00 0.00 H new ATOM 0 HA TYR A 212 1.194 -9.101 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.510 -9.479 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.173 -9.008 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -0.906 -11.595 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.739 -10.717 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.231 -13.946 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.414 -13.070 -0.754 1.00 0.00 H new ATOM 0 HH TYR A 212 2.887 -15.092 -0.034 1.00 0.00 H new ATOM 447 N GLN A 213 -0.666 -6.763 0.477 1.00 0.00 N ATOM 448 CA GLN A 213 -0.747 -5.331 0.215 1.00 0.00 C ATOM 449 C GLN A 213 -0.598 -4.532 1.505 1.00 0.00 C ATOM 450 O GLN A 213 0.215 -3.611 1.588 1.00 0.00 O ATOM 451 CB GLN A 213 -2.076 -4.989 -0.461 1.00 0.00 C ATOM 452 CG GLN A 213 -2.181 -5.498 -1.889 1.00 0.00 C ATOM 453 CD GLN A 213 -1.271 -4.750 -2.844 1.00 0.00 C ATOM 454 OE1 GLN A 213 -0.048 -4.878 -2.782 1.00 0.00 O ATOM 455 NE2 GLN A 213 -1.865 -3.964 -3.734 1.00 0.00 N ATOM 0 H GLN A 213 -1.481 -7.295 0.171 1.00 0.00 H new ATOM 0 HA GLN A 213 0.072 -5.063 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.892 -5.410 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -2.207 -3.907 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.932 -6.559 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -3.213 -5.406 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -2.882 -3.888 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -1.304 -3.436 -4.403 1.00 0.00 H new ATOM 464 N CYS A 214 -1.389 -4.891 2.511 1.00 0.00 N ATOM 465 CA CYS A 214 -1.347 -4.207 3.798 1.00 0.00 C ATOM 466 C CYS A 214 0.071 -3.744 4.122 1.00 0.00 C ATOM 467 O CYS A 214 0.953 -4.541 4.444 1.00 0.00 O ATOM 468 CB CYS A 214 -1.859 -5.130 4.906 1.00 0.00 C ATOM 469 SG CYS A 214 -2.581 -4.253 6.330 1.00 0.00 S ATOM 0 H CYS A 214 -2.067 -5.652 2.460 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.992 -3.330 3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.609 -5.801 4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -1.035 -5.752 5.256 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.316 -5.075 7.018 1.00 0.00 H new ATOM 474 N PRO A 215 0.296 -2.425 4.036 1.00 0.00 N ATOM 475 CA PRO A 215 1.604 -1.825 4.316 1.00 0.00 C ATOM 476 C PRO A 215 1.966 -1.889 5.796 1.00 0.00 C ATOM 477 O PRO A 215 3.107 -2.180 6.154 1.00 0.00 O ATOM 478 CB PRO A 215 1.430 -0.371 3.870 1.00 0.00 C ATOM 479 CG PRO A 215 -0.033 -0.113 3.981 1.00 0.00 C ATOM 480 CD PRO A 215 -0.709 -1.417 3.658 1.00 0.00 C ATOM 0 HA PRO A 215 2.411 -2.349 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.001 0.308 4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.781 -0.226 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.295 0.224 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.345 0.670 3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.634 -1.541 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.968 -1.484 2.601 1.00 0.00 H new ATOM 488 N ARG A 216 0.986 -1.615 6.652 1.00 0.00 N ATOM 489 CA ARG A 216 1.202 -1.641 8.094 1.00 0.00 C ATOM 490 C ARG A 216 1.833 -2.962 8.525 1.00 0.00 C ATOM 491 O ARG A 216 2.690 -2.993 9.410 1.00 0.00 O ATOM 492 CB ARG A 216 -0.120 -1.429 8.833 1.00 0.00 C ATOM 493 CG ARG A 216 -0.620 0.006 8.787 1.00 0.00 C ATOM 494 CD ARG A 216 0.334 0.951 9.501 1.00 0.00 C ATOM 495 NE ARG A 216 -0.315 2.205 9.873 1.00 0.00 N ATOM 496 CZ ARG A 216 -1.098 2.340 10.938 1.00 0.00 C ATOM 497 NH1 ARG A 216 -1.327 1.303 11.732 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.653 3.514 11.211 1.00 0.00 N ATOM 0 H ARG A 216 0.036 -1.373 6.372 1.00 0.00 H new ATOM 0 HA ARG A 216 1.886 -0.831 8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.877 -2.083 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.003 -1.729 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.736 0.319 7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.605 0.064 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.724 0.465 10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.187 1.162 8.855 1.00 0.00 H new ATOM 0 HE ARG A 216 -0.159 3.022 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 216 -0.902 0.399 11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -1.928 1.409 12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -1.479 4.314 10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -2.254 3.616 12.029 1.00 0.00 H new ATOM 512 N LEU A 217 1.403 -4.050 7.897 1.00 0.00 N ATOM 513 CA LEU A 217 1.924 -5.374 8.216 1.00 0.00 C ATOM 514 C LEU A 217 3.425 -5.319 8.484 1.00 0.00 C ATOM 515 O LEU A 217 4.201 -4.777 7.697 1.00 0.00 O ATOM 516 CB LEU A 217 1.635 -6.347 7.071 1.00 0.00 C ATOM 517 CG LEU A 217 2.448 -7.642 7.069 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.750 -8.712 7.895 1.00 0.00 C ATOM 519 CD2 LEU A 217 2.674 -8.128 5.645 1.00 0.00 C ATOM 0 H LEU A 217 0.694 -4.041 7.163 1.00 0.00 H new ATOM 0 HA LEU A 217 1.425 -5.726 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 217 0.577 -6.606 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 217 1.811 -5.830 6.128 1.00 0.00 H new ATOM 0 HG LEU A 217 3.419 -7.439 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.343 -9.626 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.641 -8.365 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.765 -8.912 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.254 -9.051 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 217 1.712 -8.314 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.218 -7.368 5.083 1.00 0.00 H new ATOM 531 N PRO A 218 3.845 -5.893 9.621 1.00 0.00 N ATOM 532 CA PRO A 218 5.255 -5.925 10.018 1.00 0.00 C ATOM 533 C PRO A 218 6.087 -6.845 9.130 1.00 0.00 C ATOM 534 O PRO A 218 5.685 -7.970 8.836 1.00 0.00 O ATOM 535 CB PRO A 218 5.209 -6.463 11.450 1.00 0.00 C ATOM 536 CG PRO A 218 3.948 -7.253 11.517 1.00 0.00 C ATOM 537 CD PRO A 218 2.975 -6.558 10.606 1.00 0.00 C ATOM 0 HA PRO A 218 5.725 -4.945 9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 218 6.078 -7.084 11.668 1.00 0.00 H new ATOM 0 HB3 PRO A 218 5.207 -5.652 12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 218 4.115 -8.282 11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 218 3.567 -7.294 12.537 1.00 0.00 H new ATOM 0 HD2 PRO A 218 2.296 -7.265 10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 218 2.360 -5.840 11.148 1.00 0.00 H new ATOM 545 N VAL A 219 7.249 -6.358 8.706 1.00 0.00 N ATOM 546 CA VAL A 219 8.139 -7.138 7.854 1.00 0.00 C ATOM 547 C VAL A 219 9.557 -7.158 8.412 1.00 0.00 C ATOM 548 O VAL A 219 10.077 -6.133 8.851 1.00 0.00 O ATOM 549 CB VAL A 219 8.172 -6.579 6.418 1.00 0.00 C ATOM 550 CG1 VAL A 219 6.848 -6.837 5.715 1.00 0.00 C ATOM 551 CG2 VAL A 219 8.497 -5.093 6.432 1.00 0.00 C ATOM 0 H VAL A 219 7.596 -5.427 8.938 1.00 0.00 H new ATOM 0 HA VAL A 219 7.746 -8.155 7.832 1.00 0.00 H new ATOM 0 HB VAL A 219 8.957 -7.094 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 219 6.889 -6.436 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 219 6.662 -7.910 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.043 -6.350 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.516 -4.715 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 219 7.736 -4.560 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 219 9.472 -4.938 6.894 1.00 0.00 H new ATOM 561 N ALA A 220 10.179 -8.333 8.391 1.00 0.00 N ATOM 562 CA ALA A 220 11.538 -8.486 8.893 1.00 0.00 C ATOM 563 C ALA A 220 12.533 -7.718 8.029 1.00 0.00 C ATOM 564 O ALA A 220 12.422 -7.701 6.803 1.00 0.00 O ATOM 565 CB ALA A 220 11.916 -9.959 8.952 1.00 0.00 C ATOM 0 H ALA A 220 9.763 -9.192 8.032 1.00 0.00 H new ATOM 0 HA ALA A 220 11.575 -8.071 9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 220 12.934 -10.059 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 220 11.230 -10.484 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 220 11.855 -10.391 7.953 1.00 0.00 H new ATOM 571 N CYS A 221 13.503 -7.082 8.676 1.00 0.00 N ATOM 572 CA CYS A 221 14.517 -6.310 7.968 1.00 0.00 C ATOM 573 C CYS A 221 15.361 -7.212 7.073 1.00 0.00 C ATOM 574 O CYS A 221 15.795 -8.293 7.471 1.00 0.00 O ATOM 575 CB CYS A 221 15.417 -5.575 8.964 1.00 0.00 C ATOM 576 SG CYS A 221 16.882 -4.798 8.209 1.00 0.00 S ATOM 0 H CYS A 221 13.609 -7.086 9.691 1.00 0.00 H new ATOM 0 HA CYS A 221 14.008 -5.579 7.340 1.00 0.00 H new ATOM 0 HB2 CYS A 221 14.831 -4.807 9.469 1.00 0.00 H new ATOM 0 HB3 CYS A 221 15.746 -6.279 9.729 1.00 0.00 H new ATOM 0 HG CYS A 221 16.591 -3.584 7.846 1.00 0.00 H new ATOM 581 N PRO A 222 15.601 -6.759 5.833 1.00 0.00 N ATOM 582 CA PRO A 222 16.395 -7.509 4.856 1.00 0.00 C ATOM 583 C PRO A 222 17.873 -7.561 5.228 1.00 0.00 C ATOM 584 O PRO A 222 18.556 -8.548 4.957 1.00 0.00 O ATOM 585 CB PRO A 222 16.198 -6.721 3.559 1.00 0.00 C ATOM 586 CG PRO A 222 15.877 -5.335 4.002 1.00 0.00 C ATOM 587 CD PRO A 222 15.115 -5.479 5.291 1.00 0.00 C ATOM 0 HA PRO A 222 16.082 -8.551 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.097 -6.741 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.391 -7.142 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.786 -4.752 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.281 -4.814 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.317 -4.652 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.038 -5.497 5.122 1.00 0.00 H new ATOM 595 N ASN A 223 18.360 -6.493 5.850 1.00 0.00 N ATOM 596 CA ASN A 223 19.758 -6.418 6.259 1.00 0.00 C ATOM 597 C ASN A 223 19.990 -7.197 7.550 1.00 0.00 C ATOM 598 O ASN A 223 21.117 -7.580 7.861 1.00 0.00 O ATOM 599 CB ASN A 223 20.177 -4.959 6.449 1.00 0.00 C ATOM 600 CG ASN A 223 20.670 -4.326 5.162 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.652 -4.953 4.103 1.00 0.00 O ATOM 602 ND2 ASN A 223 21.112 -3.077 5.248 1.00 0.00 N ATOM 0 H ASN A 223 17.808 -5.667 6.082 1.00 0.00 H new ATOM 0 HA ASN A 223 20.365 -6.865 5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.331 -4.388 6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 223 20.964 -4.905 7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 223 21.455 -2.599 4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 223 21.109 -2.596 6.147 1.00 0.00 H new ATOM 609 N GLN A 224 18.914 -7.429 8.296 1.00 0.00 N ATOM 610 CA GLN A 224 19.001 -8.163 9.553 1.00 0.00 C ATOM 611 C GLN A 224 19.888 -7.429 10.552 1.00 0.00 C ATOM 612 O GLN A 224 20.847 -7.994 11.080 1.00 0.00 O ATOM 613 CB GLN A 224 19.546 -9.572 9.308 1.00 0.00 C ATOM 614 CG GLN A 224 18.624 -10.444 8.472 1.00 0.00 C ATOM 615 CD GLN A 224 19.015 -11.908 8.506 1.00 0.00 C ATOM 616 OE1 GLN A 224 18.217 -12.767 8.881 1.00 0.00 O ATOM 617 NE2 GLN A 224 20.250 -12.200 8.113 1.00 0.00 N ATOM 0 H GLN A 224 17.973 -7.120 8.052 1.00 0.00 H new ATOM 0 HA GLN A 224 17.997 -8.236 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 224 20.512 -9.497 8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 224 19.720 -10.057 10.268 1.00 0.00 H new ATOM 0 HG2 GLN A 224 17.602 -10.337 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 224 18.635 -10.093 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 224 20.878 -11.456 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 224 20.570 -13.168 8.114 1.00 0.00 H new ATOM 626 N CYS A 225 19.563 -6.166 10.807 1.00 0.00 N ATOM 627 CA CYS A 225 20.331 -5.352 11.743 1.00 0.00 C ATOM 628 C CYS A 225 20.022 -5.744 13.185 1.00 0.00 C ATOM 629 O CYS A 225 20.928 -5.976 13.984 1.00 0.00 O ATOM 630 CB CYS A 225 20.026 -3.868 11.530 1.00 0.00 C ATOM 631 SG CYS A 225 18.249 -3.465 11.541 1.00 0.00 S ATOM 0 H CYS A 225 18.773 -5.684 10.379 1.00 0.00 H new ATOM 0 HA CYS A 225 21.390 -5.529 11.556 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.523 -3.290 12.309 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.453 -3.553 10.578 1.00 0.00 H new ATOM 0 HG CYS A 225 17.698 -3.902 10.448 1.00 0.00 H new ATOM 636 N GLY A 226 18.735 -5.817 13.510 1.00 0.00 N ATOM 637 CA GLY A 226 18.329 -6.181 14.855 1.00 0.00 C ATOM 638 C GLY A 226 16.901 -5.773 15.161 1.00 0.00 C ATOM 639 O GLY A 226 16.168 -6.503 15.828 1.00 0.00 O ATOM 0 H GLY A 226 17.966 -5.631 12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 226 18.431 -7.259 14.983 1.00 0.00 H new ATOM 0 HA3 GLY A 226 19.000 -5.710 15.574 1.00 0.00 H new ATOM 643 N VAL A 227 16.505 -4.602 14.672 1.00 0.00 N ATOM 644 CA VAL A 227 15.156 -4.097 14.897 1.00 0.00 C ATOM 645 C VAL A 227 14.142 -5.235 14.932 1.00 0.00 C ATOM 646 O VAL A 227 13.216 -5.231 15.743 1.00 0.00 O ATOM 647 CB VAL A 227 14.744 -3.091 13.806 1.00 0.00 C ATOM 648 CG1 VAL A 227 14.766 -3.750 12.435 1.00 0.00 C ATOM 649 CG2 VAL A 227 13.369 -2.513 14.106 1.00 0.00 C ATOM 0 H VAL A 227 17.099 -3.986 14.118 1.00 0.00 H new ATOM 0 HA VAL A 227 15.164 -3.591 15.863 1.00 0.00 H new ATOM 0 HB VAL A 227 15.464 -2.273 13.801 1.00 0.00 H new ATOM 0 HG11 VAL A 227 14.472 -3.024 11.677 1.00 0.00 H new ATOM 0 HG12 VAL A 227 15.772 -4.111 12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 227 14.070 -4.589 12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.094 -1.804 13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 227 12.635 -3.318 14.140 1.00 0.00 H new ATOM 0 HG23 VAL A 227 13.391 -2.002 15.068 1.00 0.00 H new ATOM 659 N GLY A 228 14.323 -6.210 14.046 1.00 0.00 N ATOM 660 CA GLY A 228 13.417 -7.342 13.993 1.00 0.00 C ATOM 661 C GLY A 228 12.326 -7.163 12.956 1.00 0.00 C ATOM 662 O GLY A 228 12.550 -7.379 11.764 1.00 0.00 O ATOM 0 H GLY A 228 15.081 -6.236 13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 228 13.983 -8.246 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 228 12.962 -7.486 14.973 1.00 0.00 H new ATOM 666 N THR A 229 11.140 -6.769 13.409 1.00 0.00 N ATOM 667 CA THR A 229 10.010 -6.564 12.512 1.00 0.00 C ATOM 668 C THR A 229 9.624 -5.090 12.442 1.00 0.00 C ATOM 669 O THR A 229 9.595 -4.397 13.458 1.00 0.00 O ATOM 670 CB THR A 229 8.784 -7.383 12.958 1.00 0.00 C ATOM 671 OG1 THR A 229 8.521 -7.155 14.347 1.00 0.00 O ATOM 672 CG2 THR A 229 9.008 -8.868 12.716 1.00 0.00 C ATOM 0 H THR A 229 10.937 -6.586 14.392 1.00 0.00 H new ATOM 0 HA THR A 229 10.324 -6.902 11.525 1.00 0.00 H new ATOM 0 HB THR A 229 7.926 -7.061 12.369 1.00 0.00 H new ATOM 0 HG1 THR A 229 7.739 -7.678 14.622 1.00 0.00 H new ATOM 0 HG21 THR A 229 8.129 -9.426 13.039 1.00 0.00 H new ATOM 0 HG22 THR A 229 9.178 -9.042 11.654 1.00 0.00 H new ATOM 0 HG23 THR A 229 9.878 -9.202 13.282 1.00 0.00 H new ATOM 680 N VAL A 230 9.327 -4.618 11.235 1.00 0.00 N ATOM 681 CA VAL A 230 8.941 -3.227 11.032 1.00 0.00 C ATOM 682 C VAL A 230 7.994 -3.087 9.846 1.00 0.00 C ATOM 683 O VAL A 230 8.225 -3.663 8.783 1.00 0.00 O ATOM 684 CB VAL A 230 10.172 -2.331 10.801 1.00 0.00 C ATOM 685 CG1 VAL A 230 10.889 -2.728 9.519 1.00 0.00 C ATOM 686 CG2 VAL A 230 9.764 -0.866 10.761 1.00 0.00 C ATOM 0 H VAL A 230 9.346 -5.179 10.383 1.00 0.00 H new ATOM 0 HA VAL A 230 8.431 -2.904 11.940 1.00 0.00 H new ATOM 0 HB VAL A 230 10.862 -2.470 11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 230 11.756 -2.084 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.216 -3.765 9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.210 -2.620 8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.646 -0.247 10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.054 -0.708 9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.299 -0.592 11.708 1.00 0.00 H new ATOM 696 N ALA A 231 6.927 -2.317 10.035 1.00 0.00 N ATOM 697 CA ALA A 231 5.946 -2.099 8.979 1.00 0.00 C ATOM 698 C ALA A 231 6.615 -2.046 7.610 1.00 0.00 C ATOM 699 O ALA A 231 7.726 -1.534 7.471 1.00 0.00 O ATOM 700 CB ALA A 231 5.168 -0.817 9.239 1.00 0.00 C ATOM 0 H ALA A 231 6.720 -1.834 10.909 1.00 0.00 H new ATOM 0 HA ALA A 231 5.252 -2.940 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.439 -0.666 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 231 4.651 -0.893 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 231 5.857 0.028 9.265 1.00 0.00 H new ATOM 706 N ARG A 232 5.932 -2.578 6.602 1.00 0.00 N ATOM 707 CA ARG A 232 6.462 -2.592 5.244 1.00 0.00 C ATOM 708 C ARG A 232 6.676 -1.172 4.728 1.00 0.00 C ATOM 709 O ARG A 232 7.667 -0.889 4.057 1.00 0.00 O ATOM 710 CB ARG A 232 5.512 -3.347 4.311 1.00 0.00 C ATOM 711 CG ARG A 232 5.919 -3.286 2.848 1.00 0.00 C ATOM 712 CD ARG A 232 4.755 -3.627 1.931 1.00 0.00 C ATOM 713 NE ARG A 232 5.080 -3.400 0.526 1.00 0.00 N ATOM 714 CZ ARG A 232 5.062 -2.202 -0.048 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.737 -1.129 0.659 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.371 -2.076 -1.333 1.00 0.00 N ATOM 0 H ARG A 232 5.011 -3.005 6.700 1.00 0.00 H new ATOM 0 HA ARG A 232 7.425 -3.102 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.463 -4.390 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.508 -2.935 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.288 -2.288 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.740 -3.980 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.475 -4.671 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 232 3.889 -3.024 2.205 1.00 0.00 H new ATOM 0 HE ARG A 232 5.335 -4.205 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 232 4.500 -1.222 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 232 4.724 -0.211 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.622 -2.899 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 232 5.357 -1.156 -1.773 1.00 0.00 H new ATOM 730 N GLU A 233 5.738 -0.285 5.047 1.00 0.00 N ATOM 731 CA GLU A 233 5.825 1.105 4.614 1.00 0.00 C ATOM 732 C GLU A 233 6.745 1.904 5.532 1.00 0.00 C ATOM 733 O GLU A 233 6.915 3.111 5.360 1.00 0.00 O ATOM 734 CB GLU A 233 4.434 1.742 4.589 1.00 0.00 C ATOM 735 CG GLU A 233 3.764 1.796 5.951 1.00 0.00 C ATOM 736 CD GLU A 233 2.519 2.661 5.956 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.597 2.377 5.162 1.00 0.00 O ATOM 738 OE2 GLU A 233 2.466 3.622 6.751 1.00 0.00 O ATOM 0 H GLU A 233 4.911 -0.504 5.602 1.00 0.00 H new ATOM 0 HA GLU A 233 6.242 1.120 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.514 2.754 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.799 1.181 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.500 0.785 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.472 2.181 6.685 1.00 0.00 H new ATOM 745 N ASP A 234 7.335 1.222 6.508 1.00 0.00 N ATOM 746 CA ASP A 234 8.239 1.868 7.453 1.00 0.00 C ATOM 747 C ASP A 234 9.675 1.404 7.235 1.00 0.00 C ATOM 748 O ASP A 234 10.618 1.997 7.762 1.00 0.00 O ATOM 749 CB ASP A 234 7.806 1.569 8.890 1.00 0.00 C ATOM 750 CG ASP A 234 6.687 2.479 9.358 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.664 3.656 8.940 1.00 0.00 O ATOM 752 OD2 ASP A 234 5.834 2.014 10.142 1.00 0.00 O ATOM 0 H ASP A 234 7.204 0.223 6.665 1.00 0.00 H new ATOM 0 HA ASP A 234 8.194 2.944 7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.480 0.531 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.663 1.679 9.555 1.00 0.00 H new ATOM 757 N LEU A 235 9.836 0.340 6.456 1.00 0.00 N ATOM 758 CA LEU A 235 11.158 -0.205 6.168 1.00 0.00 C ATOM 759 C LEU A 235 12.029 0.825 5.456 1.00 0.00 C ATOM 760 O LEU A 235 13.207 1.000 5.767 1.00 0.00 O ATOM 761 CB LEU A 235 11.037 -1.467 5.312 1.00 0.00 C ATOM 762 CG LEU A 235 12.188 -2.467 5.422 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.290 -3.009 6.839 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.005 -3.603 4.426 1.00 0.00 C ATOM 0 H LEU A 235 9.067 -0.163 6.012 1.00 0.00 H new ATOM 0 HA LEU A 235 11.632 -0.461 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.112 -1.977 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.942 -1.166 4.269 1.00 0.00 H new ATOM 0 HG LEU A 235 13.118 -1.949 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.115 -3.719 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.469 -2.186 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.359 -3.511 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.834 -4.305 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.067 -4.119 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.983 -3.199 3.414 1.00 0.00 H new ATOM 776 N PRO A 236 11.436 1.526 4.478 1.00 0.00 N ATOM 777 CA PRO A 236 12.138 2.553 3.703 1.00 0.00 C ATOM 778 C PRO A 236 12.910 3.523 4.591 1.00 0.00 C ATOM 779 O PRO A 236 14.139 3.571 4.553 1.00 0.00 O ATOM 780 CB PRO A 236 11.007 3.281 2.972 1.00 0.00 C ATOM 781 CG PRO A 236 9.915 2.274 2.865 1.00 0.00 C ATOM 782 CD PRO A 236 10.034 1.370 4.054 1.00 0.00 C ATOM 0 HA PRO A 236 12.885 2.121 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.681 4.162 3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 236 11.328 3.623 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.941 2.762 2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 236 10.003 1.706 1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.343 1.658 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.808 0.336 3.794 1.00 0.00 H new ATOM 790 N GLY A 237 12.180 4.295 5.391 1.00 0.00 N ATOM 791 CA GLY A 237 12.814 5.253 6.277 1.00 0.00 C ATOM 792 C GLY A 237 13.819 4.605 7.208 1.00 0.00 C ATOM 793 O GLY A 237 14.785 5.241 7.631 1.00 0.00 O ATOM 0 H GLY A 237 11.161 4.274 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 237 13.314 6.017 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 237 12.050 5.758 6.867 1.00 0.00 H new ATOM 797 N HIS A 238 13.592 3.335 7.531 1.00 0.00 N ATOM 798 CA HIS A 238 14.485 2.601 8.420 1.00 0.00 C ATOM 799 C HIS A 238 15.821 2.323 7.738 1.00 0.00 C ATOM 800 O HIS A 238 16.880 2.691 8.249 1.00 0.00 O ATOM 801 CB HIS A 238 13.838 1.286 8.855 1.00 0.00 C ATOM 802 CG HIS A 238 14.825 0.247 9.290 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.237 0.102 10.598 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.482 -0.702 8.583 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.106 -0.890 10.676 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.272 -1.395 9.467 1.00 0.00 N ATOM 0 H HIS A 238 12.798 2.794 7.190 1.00 0.00 H new ATOM 0 HA HIS A 238 14.667 3.216 9.301 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.147 1.484 9.674 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.247 0.891 8.029 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.400 -0.881 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.597 -1.230 11.576 1.00 0.00 H new ATOM 0 HE2 HIS A 238 16.887 -2.173 9.229 1.00 0.00 H new ATOM 814 N LEU A 239 15.766 1.669 6.583 1.00 0.00 N ATOM 815 CA LEU A 239 16.972 1.341 5.831 1.00 0.00 C ATOM 816 C LEU A 239 17.818 2.586 5.588 1.00 0.00 C ATOM 817 O LEU A 239 19.046 2.515 5.534 1.00 0.00 O ATOM 818 CB LEU A 239 16.603 0.692 4.495 1.00 0.00 C ATOM 819 CG LEU A 239 16.118 -0.756 4.564 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.517 -1.181 3.233 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.260 -1.683 4.956 1.00 0.00 C ATOM 0 H LEU A 239 14.899 1.355 6.147 1.00 0.00 H new ATOM 0 HA LEU A 239 17.558 0.636 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.825 1.293 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.475 0.731 3.842 1.00 0.00 H new ATOM 0 HG LEU A 239 15.343 -0.824 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 239 15.177 -2.214 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.672 -0.536 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 239 16.271 -1.098 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.896 -2.710 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 239 18.057 -1.612 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.646 -1.392 5.933 1.00 0.00 H new ATOM 833 N LYS A 240 17.154 3.728 5.445 1.00 0.00 N ATOM 834 CA LYS A 240 17.844 4.991 5.211 1.00 0.00 C ATOM 835 C LYS A 240 18.958 5.199 6.232 1.00 0.00 C ATOM 836 O LYS A 240 20.139 5.202 5.884 1.00 0.00 O ATOM 837 CB LYS A 240 16.854 6.156 5.276 1.00 0.00 C ATOM 838 CG LYS A 240 16.053 6.345 4.000 1.00 0.00 C ATOM 839 CD LYS A 240 16.763 7.271 3.027 1.00 0.00 C ATOM 840 CE LYS A 240 15.798 7.855 2.007 1.00 0.00 C ATOM 841 NZ LYS A 240 15.331 6.829 1.034 1.00 0.00 N ATOM 0 H LYS A 240 16.138 3.805 5.487 1.00 0.00 H new ATOM 0 HA LYS A 240 18.289 4.955 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 240 16.166 5.992 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 240 17.400 7.074 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.887 5.377 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 240 15.072 6.754 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 240 17.244 8.079 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 240 17.551 6.723 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 240 14.939 8.283 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 240 16.286 8.669 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 14.675 7.267 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.148 6.438 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 14.843 6.064 1.543 1.00 0.00 H new ATOM 855 N ASP A 241 18.575 5.371 7.492 1.00 0.00 N ATOM 856 CA ASP A 241 19.543 5.577 8.564 1.00 0.00 C ATOM 857 C ASP A 241 19.361 4.539 9.667 1.00 0.00 C ATOM 858 O ASP A 241 20.323 3.906 10.101 1.00 0.00 O ATOM 859 CB ASP A 241 19.401 6.985 9.144 1.00 0.00 C ATOM 860 CG ASP A 241 20.368 7.242 10.283 1.00 0.00 C ATOM 861 OD1 ASP A 241 21.555 7.510 10.003 1.00 0.00 O ATOM 862 OD2 ASP A 241 19.939 7.175 11.453 1.00 0.00 O ATOM 0 H ASP A 241 17.602 5.372 7.797 1.00 0.00 H new ATOM 0 HA ASP A 241 20.543 5.464 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.570 7.718 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.380 7.128 9.499 1.00 0.00 H new ATOM 867 N SER A 242 18.122 4.369 10.115 1.00 0.00 N ATOM 868 CA SER A 242 17.815 3.411 11.171 1.00 0.00 C ATOM 869 C SER A 242 18.718 2.186 11.071 1.00 0.00 C ATOM 870 O SER A 242 19.573 1.959 11.927 1.00 0.00 O ATOM 871 CB SER A 242 16.347 2.985 11.091 1.00 0.00 C ATOM 872 OG SER A 242 15.914 2.418 12.315 1.00 0.00 O ATOM 0 H SER A 242 17.314 4.882 9.763 1.00 0.00 H new ATOM 0 HA SER A 242 17.993 3.895 12.131 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.727 3.848 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.218 2.262 10.286 1.00 0.00 H new ATOM 0 HG SER A 242 15.552 1.522 12.151 1.00 0.00 H new ATOM 878 N CYS A 243 18.521 1.397 10.020 1.00 0.00 N ATOM 879 CA CYS A 243 19.316 0.194 9.806 1.00 0.00 C ATOM 880 C CYS A 243 20.806 0.499 9.924 1.00 0.00 C ATOM 881 O CYS A 243 21.390 1.139 9.050 1.00 0.00 O ATOM 882 CB CYS A 243 19.013 -0.405 8.432 1.00 0.00 C ATOM 883 SG CYS A 243 19.470 -2.161 8.269 1.00 0.00 S ATOM 0 H CYS A 243 17.817 1.570 9.303 1.00 0.00 H new ATOM 0 HA CYS A 243 19.050 -0.530 10.576 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.948 -0.297 8.228 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.543 0.169 7.672 1.00 0.00 H new ATOM 0 HG CYS A 243 18.393 -2.888 8.232 1.00 0.00 H new