USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 245 CYS SG : rot -134:sc= 0.0118 USER MOD Set 1.2: A 248 CYS SG : rot -74:sc= 0.961 USER MOD Set 1.3: A 250 THR OG1 : rot -69:sc= 1.1 USER MOD Set 1.4: A 270 HIS : no HE2:sc= -1.63 K(o=-0.62,f=-2.9!) USER MOD Set 1.5: A 273 CYS SG : rot -165:sc= -1.06 USER MOD Set 2.1: A 232 HIS : no HD1:sc= -1.08 K(o=-8,f=-9) USER MOD Set 2.2: A 262 CYS SG : rot 163:sc= -2.03 USER MOD Set 2.3: A 265 CYS SG : rot -54:sc= 0.318 USER MOD Set 2.4: A 267 MET CE :methyl -158:sc= -0.943 (180deg=-2.41!) USER MOD Set 2.5: A 281 CYS SG : rot 125:sc= -4.31! USER MOD Single : A 230 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ -142:sc= -0.244 (180deg=-1.15!) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.9) USER MOD Single : A 239 TYR OH : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 247 HIS : no HE2:sc= -3.07! C(o=-3.1!,f=-3.9!) USER MOD Single : A 258 GLN : amide:sc= -1.73 K(o=-1.7,f=-7.2!) USER MOD Single : A 261 LYS NZ :NH3+ -158:sc= -0.127 (180deg=-0.796) USER MOD Single : A 268 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.4) USER MOD Single : A 271 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.2) USER MOD Single : A 274 GLN : amide:sc= -0.848 K(o=-0.85,f=0.2) USER MOD Single : A 275 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 276 LYS NZ :NH3+ 161:sc= -0.0319 (180deg=-0.23) USER MOD Single : A 279 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.013) USER MOD Single : A 284 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -3.428 -14.646 -8.437 1.00 0.00 N ATOM 108 CA ASP A 229 -3.669 -13.209 -8.374 1.00 0.00 C ATOM 109 C ASP A 229 -2.467 -12.482 -7.781 1.00 0.00 C ATOM 110 O ASP A 229 -1.907 -12.909 -6.772 1.00 0.00 O ATOM 111 CB ASP A 229 -4.919 -12.916 -7.543 1.00 0.00 C ATOM 112 CG ASP A 229 -6.088 -13.804 -7.923 1.00 0.00 C ATOM 113 OD1 ASP A 229 -6.564 -13.697 -9.073 1.00 0.00 O ATOM 114 OD2 ASP A 229 -6.527 -14.604 -7.071 1.00 0.00 O ATOM 0 HA ASP A 229 -3.825 -12.847 -9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -4.690 -13.054 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -5.202 -11.872 -7.674 1.00 0.00 H new ATOM 119 N MET A 230 -2.075 -11.381 -8.415 1.00 0.00 N ATOM 120 CA MET A 230 -0.939 -10.595 -7.949 1.00 0.00 C ATOM 121 C MET A 230 -1.343 -9.143 -7.713 1.00 0.00 C ATOM 122 O MET A 230 -2.157 -8.574 -8.440 1.00 0.00 O ATOM 123 CB MET A 230 0.205 -10.660 -8.964 1.00 0.00 C ATOM 124 CG MET A 230 1.082 -11.892 -8.812 1.00 0.00 C ATOM 125 SD MET A 230 2.398 -11.962 -10.043 1.00 0.00 S ATOM 126 CE MET A 230 1.622 -12.960 -11.312 1.00 0.00 C ATOM 0 H MET A 230 -2.527 -11.014 -9.252 1.00 0.00 H new ATOM 0 HA MET A 230 -0.600 -11.018 -7.003 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.212 -10.643 -9.971 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.823 -9.769 -8.860 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.522 -11.900 -7.815 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.464 -12.786 -8.895 1.00 0.00 H new ATOM 0 HE1 MET A 230 2.314 -13.093 -12.144 1.00 0.00 H new ATOM 0 HE2 MET A 230 1.359 -13.934 -10.899 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.720 -12.461 -11.666 1.00 0.00 H new ATOM 136 N PRO A 231 -0.761 -8.528 -6.673 1.00 0.00 N ATOM 137 CA PRO A 231 -1.046 -7.134 -6.317 1.00 0.00 C ATOM 138 C PRO A 231 -0.486 -6.150 -7.339 1.00 0.00 C ATOM 139 O PRO A 231 0.232 -6.537 -8.261 1.00 0.00 O ATOM 140 CB PRO A 231 -0.344 -6.962 -4.968 1.00 0.00 C ATOM 141 CG PRO A 231 0.746 -7.977 -4.975 1.00 0.00 C ATOM 142 CD PRO A 231 0.219 -9.144 -5.763 1.00 0.00 C ATOM 0 HA PRO A 231 -2.117 -6.932 -6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.055 -5.954 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.033 -7.127 -4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.651 -7.575 -5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 231 1.007 -8.277 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.014 -9.650 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.246 -9.888 -5.116 1.00 0.00 H new ATOM 150 N HIS A 232 -0.818 -4.874 -7.168 1.00 0.00 N ATOM 151 CA HIS A 232 -0.347 -3.833 -8.075 1.00 0.00 C ATOM 152 C HIS A 232 0.952 -3.216 -7.566 1.00 0.00 C ATOM 153 O HIS A 232 0.983 -2.605 -6.498 1.00 0.00 O ATOM 154 CB HIS A 232 -1.412 -2.748 -8.237 1.00 0.00 C ATOM 155 CG HIS A 232 -2.605 -3.192 -9.026 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.565 -3.417 -10.386 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.875 -3.453 -8.640 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.761 -3.797 -10.802 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.574 -3.827 -9.761 1.00 0.00 N ATOM 0 H HIS A 232 -1.411 -4.536 -6.410 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.155 -4.291 -9.046 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.740 -2.423 -7.250 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.965 -1.882 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.267 -3.381 -7.636 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -4.028 -4.041 -11.820 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.560 -4.086 -9.786 1.00 0.00 H new ATOM 167 N ARG A 233 2.022 -3.382 -8.337 1.00 0.00 N ATOM 168 CA ARG A 233 3.324 -2.843 -7.963 1.00 0.00 C ATOM 169 C ARG A 233 3.329 -1.320 -8.058 1.00 0.00 C ATOM 170 O ARG A 233 3.984 -0.744 -8.926 1.00 0.00 O ATOM 171 CB ARG A 233 4.417 -3.424 -8.862 1.00 0.00 C ATOM 172 CG ARG A 233 4.666 -4.907 -8.636 1.00 0.00 C ATOM 173 CD ARG A 233 6.093 -5.292 -8.993 1.00 0.00 C ATOM 174 NE ARG A 233 6.312 -5.305 -10.437 1.00 0.00 N ATOM 175 CZ ARG A 233 7.513 -5.393 -10.998 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.597 -5.477 -10.241 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.630 -5.399 -12.320 1.00 0.00 N ATOM 0 H ARG A 233 2.013 -3.885 -9.224 1.00 0.00 H new ATOM 0 HA ARG A 233 3.524 -3.126 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.141 -3.265 -9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.345 -2.878 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.471 -5.155 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.969 -5.490 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.785 -4.590 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.316 -6.277 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 233 5.498 -5.243 -11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 233 8.511 -5.474 -9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.518 -5.544 -10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.797 -5.336 -12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.552 -5.467 -12.750 1.00 0.00 H new ATOM 191 N PHE A 234 2.595 -0.674 -7.158 1.00 0.00 N ATOM 192 CA PHE A 234 2.514 0.782 -7.140 1.00 0.00 C ATOM 193 C PHE A 234 3.756 1.388 -6.494 1.00 0.00 C ATOM 194 O PHE A 234 4.060 1.119 -5.332 1.00 0.00 O ATOM 195 CB PHE A 234 1.261 1.235 -6.387 1.00 0.00 C ATOM 196 CG PHE A 234 -0.004 1.082 -7.182 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.220 1.845 -8.319 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.978 0.177 -6.793 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.383 1.707 -9.053 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.142 0.034 -7.523 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.346 0.801 -8.653 1.00 0.00 C ATOM 0 H PHE A 234 2.048 -1.136 -6.432 1.00 0.00 H new ATOM 0 HA PHE A 234 2.456 1.130 -8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.173 0.660 -5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.377 2.280 -6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.529 2.556 -8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.826 -0.424 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.539 2.306 -9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.892 -0.677 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.257 0.693 -9.223 1.00 0.00 H new ATOM 211 N LYS A 235 4.472 2.208 -7.257 1.00 0.00 N ATOM 212 CA LYS A 235 5.681 2.854 -6.761 1.00 0.00 C ATOM 213 C LYS A 235 5.589 4.369 -6.911 1.00 0.00 C ATOM 214 O LYS A 235 5.134 4.875 -7.938 1.00 0.00 O ATOM 215 CB LYS A 235 6.908 2.330 -7.511 1.00 0.00 C ATOM 216 CG LYS A 235 7.514 1.084 -6.890 1.00 0.00 C ATOM 217 CD LYS A 235 8.897 0.797 -7.452 1.00 0.00 C ATOM 218 CE LYS A 235 8.818 0.021 -8.758 1.00 0.00 C ATOM 219 NZ LYS A 235 7.999 -1.215 -8.620 1.00 0.00 N ATOM 0 H LYS A 235 4.235 2.441 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 235 5.781 2.617 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.628 2.113 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.665 3.114 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 235 7.578 1.209 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 235 6.861 0.231 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.426 1.736 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.476 0.228 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 235 8.389 0.656 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 235 9.824 -0.244 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 8.430 -1.981 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 7.959 -1.495 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 7.036 -1.034 -8.968 1.00 0.00 H new ATOM 233 N VAL A 236 6.025 5.089 -5.882 1.00 0.00 N ATOM 234 CA VAL A 236 5.994 6.546 -5.901 1.00 0.00 C ATOM 235 C VAL A 236 6.734 7.096 -7.115 1.00 0.00 C ATOM 236 O VAL A 236 7.718 6.514 -7.572 1.00 0.00 O ATOM 237 CB VAL A 236 6.618 7.138 -4.623 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.554 8.657 -4.651 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.920 6.589 -3.387 1.00 0.00 C ATOM 0 H VAL A 236 6.404 4.686 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 236 4.945 6.839 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 236 7.667 6.844 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 236 6.999 9.057 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.103 9.028 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.514 8.976 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.373 7.017 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.863 6.852 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 236 6.024 5.504 -3.362 1.00 0.00 H new ATOM 249 N TYR A 237 6.254 8.221 -7.634 1.00 0.00 N ATOM 250 CA TYR A 237 6.868 8.849 -8.798 1.00 0.00 C ATOM 251 C TYR A 237 6.835 10.369 -8.677 1.00 0.00 C ATOM 252 O TYR A 237 5.796 10.957 -8.378 1.00 0.00 O ATOM 253 CB TYR A 237 6.153 8.412 -10.077 1.00 0.00 C ATOM 254 CG TYR A 237 6.996 8.560 -11.323 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.484 9.802 -11.712 1.00 0.00 C ATOM 256 CD2 TYR A 237 7.303 7.459 -12.113 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.255 9.942 -12.850 1.00 0.00 C ATOM 258 CE2 TYR A 237 8.074 7.590 -13.252 1.00 0.00 C ATOM 259 CZ TYR A 237 8.547 8.833 -13.616 1.00 0.00 C ATOM 260 OH TYR A 237 9.314 8.968 -14.751 1.00 0.00 O ATOM 0 H TYR A 237 5.442 8.717 -7.267 1.00 0.00 H new ATOM 0 HA TYR A 237 7.909 8.529 -8.845 1.00 0.00 H new ATOM 0 HB2 TYR A 237 5.849 7.370 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.242 8.999 -10.193 1.00 0.00 H new ATOM 0 HD1 TYR A 237 7.257 10.672 -11.115 1.00 0.00 H new ATOM 0 HD2 TYR A 237 6.933 6.484 -11.832 1.00 0.00 H new ATOM 0 HE1 TYR A 237 8.627 10.914 -13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 237 8.305 6.724 -13.854 1.00 0.00 H new ATOM 0 HH TYR A 237 9.428 8.092 -15.175 1.00 0.00 H new ATOM 270 N ASN A 238 7.981 11.000 -8.913 1.00 0.00 N ATOM 271 CA ASN A 238 8.084 12.453 -8.831 1.00 0.00 C ATOM 272 C ASN A 238 8.072 13.078 -10.222 1.00 0.00 C ATOM 273 O ASN A 238 9.100 13.131 -10.899 1.00 0.00 O ATOM 274 CB ASN A 238 9.362 12.853 -8.090 1.00 0.00 C ATOM 275 CG ASN A 238 10.602 12.227 -8.698 1.00 0.00 C ATOM 276 OD1 ASN A 238 10.842 11.028 -8.550 1.00 0.00 O ATOM 277 ND2 ASN A 238 11.398 13.038 -9.385 1.00 0.00 N ATOM 0 H ASN A 238 8.851 10.529 -9.162 1.00 0.00 H new ATOM 0 HA ASN A 238 7.221 12.824 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 238 9.462 13.938 -8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 238 9.282 12.553 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 238 12.248 12.674 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 238 11.160 14.025 -9.482 1.00 0.00 H new ATOM 284 N TYR A 239 6.905 13.552 -10.642 1.00 0.00 N ATOM 285 CA TYR A 239 6.758 14.172 -11.954 1.00 0.00 C ATOM 286 C TYR A 239 5.839 15.387 -11.882 1.00 0.00 C ATOM 287 O TYR A 239 5.239 15.667 -10.844 1.00 0.00 O ATOM 288 CB TYR A 239 6.208 13.161 -12.961 1.00 0.00 C ATOM 289 CG TYR A 239 5.192 12.210 -12.370 1.00 0.00 C ATOM 290 CD1 TYR A 239 4.230 12.659 -11.473 1.00 0.00 C ATOM 291 CD2 TYR A 239 5.193 10.862 -12.709 1.00 0.00 C ATOM 292 CE1 TYR A 239 3.300 11.793 -10.931 1.00 0.00 C ATOM 293 CE2 TYR A 239 4.266 9.990 -12.172 1.00 0.00 C ATOM 294 CZ TYR A 239 3.322 10.460 -11.284 1.00 0.00 C ATOM 295 OH TYR A 239 2.397 9.594 -10.746 1.00 0.00 O ATOM 0 H TYR A 239 6.046 13.519 -10.093 1.00 0.00 H new ATOM 0 HA TYR A 239 7.743 14.503 -12.284 1.00 0.00 H new ATOM 0 HB2 TYR A 239 5.750 13.699 -13.791 1.00 0.00 H new ATOM 0 HB3 TYR A 239 7.036 12.585 -13.374 1.00 0.00 H new ATOM 0 HD1 TYR A 239 4.209 13.702 -11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 239 5.931 10.490 -13.404 1.00 0.00 H new ATOM 0 HE1 TYR A 239 2.560 12.158 -10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 239 4.281 8.946 -12.446 1.00 0.00 H new ATOM 0 HH TYR A 239 2.549 8.692 -11.098 1.00 0.00 H new ATOM 305 N LYS A 240 5.732 16.107 -12.994 1.00 0.00 N ATOM 306 CA LYS A 240 4.885 17.292 -13.061 1.00 0.00 C ATOM 307 C LYS A 240 3.842 17.153 -14.166 1.00 0.00 C ATOM 308 O LYS A 240 4.038 17.638 -15.280 1.00 0.00 O ATOM 309 CB LYS A 240 5.737 18.540 -13.302 1.00 0.00 C ATOM 310 CG LYS A 240 7.003 18.268 -14.095 1.00 0.00 C ATOM 311 CD LYS A 240 8.170 17.927 -13.182 1.00 0.00 C ATOM 312 CE LYS A 240 9.358 17.398 -13.971 1.00 0.00 C ATOM 313 NZ LYS A 240 10.263 16.573 -13.123 1.00 0.00 N ATOM 0 H LYS A 240 6.222 15.890 -13.862 1.00 0.00 H new ATOM 0 HA LYS A 240 4.367 17.393 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.139 19.281 -13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 240 6.007 18.976 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 240 6.830 17.445 -14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 240 7.253 19.143 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.468 18.815 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 240 7.856 17.182 -12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 240 9.000 16.800 -14.809 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.916 18.234 -14.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 11.060 16.231 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 10.625 17.150 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 9.737 15.761 -12.742 1.00 0.00 H new ATOM 327 N SER A 241 2.735 16.490 -13.849 1.00 0.00 N ATOM 328 CA SER A 241 1.663 16.287 -14.816 1.00 0.00 C ATOM 329 C SER A 241 0.356 15.932 -14.112 1.00 0.00 C ATOM 330 O SER A 241 0.343 15.317 -13.045 1.00 0.00 O ATOM 331 CB SER A 241 2.040 15.180 -15.802 1.00 0.00 C ATOM 332 OG SER A 241 1.879 13.899 -15.218 1.00 0.00 O ATOM 0 H SER A 241 2.557 16.084 -12.930 1.00 0.00 H new ATOM 0 HA SER A 241 1.520 17.219 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.419 15.257 -16.694 1.00 0.00 H new ATOM 0 HB3 SER A 241 3.074 15.310 -16.121 1.00 0.00 H new ATOM 0 HG SER A 241 2.125 13.209 -15.869 1.00 0.00 H new ATOM 338 N PRO A 242 -0.770 16.328 -14.722 1.00 0.00 N ATOM 339 CA PRO A 242 -2.103 16.063 -14.173 1.00 0.00 C ATOM 340 C PRO A 242 -2.473 14.585 -14.236 1.00 0.00 C ATOM 341 O PRO A 242 -2.879 14.080 -15.283 1.00 0.00 O ATOM 342 CB PRO A 242 -3.028 16.885 -15.075 1.00 0.00 C ATOM 343 CG PRO A 242 -2.287 17.013 -16.361 1.00 0.00 C ATOM 344 CD PRO A 242 -0.829 17.065 -15.996 1.00 0.00 C ATOM 0 HA PRO A 242 -2.169 16.327 -13.118 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.987 16.386 -15.218 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.239 17.862 -14.641 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.495 16.168 -17.017 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.588 17.914 -16.897 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.207 16.598 -16.760 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.479 18.091 -15.883 1.00 0.00 H new ATOM 352 N THR A 243 -2.330 13.895 -13.109 1.00 0.00 N ATOM 353 CA THR A 243 -2.648 12.475 -13.036 1.00 0.00 C ATOM 354 C THR A 243 -4.085 12.256 -12.576 1.00 0.00 C ATOM 355 O THR A 243 -4.627 13.046 -11.802 1.00 0.00 O ATOM 356 CB THR A 243 -1.696 11.734 -12.078 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.345 12.585 -10.982 1.00 0.00 O ATOM 358 CG2 THR A 243 -0.436 11.289 -12.806 1.00 0.00 C ATOM 0 H THR A 243 -1.996 14.297 -12.233 1.00 0.00 H new ATOM 0 HA THR A 243 -2.526 12.072 -14.041 1.00 0.00 H new ATOM 0 HB THR A 243 -2.210 10.850 -11.700 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.741 12.106 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 243 0.222 10.768 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 243 -0.705 10.618 -13.622 1.00 0.00 H new ATOM 0 HG23 THR A 243 0.079 12.161 -13.208 1.00 0.00 H new ATOM 366 N PHE A 244 -4.698 11.179 -13.055 1.00 0.00 N ATOM 367 CA PHE A 244 -6.073 10.856 -12.693 1.00 0.00 C ATOM 368 C PHE A 244 -6.157 9.471 -12.059 1.00 0.00 C ATOM 369 O PHE A 244 -5.548 8.516 -12.543 1.00 0.00 O ATOM 370 CB PHE A 244 -6.977 10.922 -13.926 1.00 0.00 C ATOM 371 CG PHE A 244 -7.079 12.297 -14.521 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.841 13.278 -13.905 1.00 0.00 C ATOM 373 CD2 PHE A 244 -6.414 12.610 -15.695 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.938 14.543 -14.452 1.00 0.00 C ATOM 375 CE2 PHE A 244 -6.507 13.874 -16.246 1.00 0.00 C ATOM 376 CZ PHE A 244 -7.269 14.843 -15.623 1.00 0.00 C ATOM 0 H PHE A 244 -4.264 10.514 -13.695 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.413 11.591 -11.963 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -6.597 10.235 -14.682 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -7.975 10.577 -13.654 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -8.364 13.051 -12.988 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -5.815 11.857 -16.186 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -8.537 15.298 -13.964 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -5.984 14.104 -17.163 1.00 0.00 H new ATOM 0 HZ PHE A 244 -7.342 15.832 -16.050 1.00 0.00 H new ATOM 386 N CYS A 245 -6.917 9.368 -10.974 1.00 0.00 N ATOM 387 CA CYS A 245 -7.082 8.101 -10.272 1.00 0.00 C ATOM 388 C CYS A 245 -8.058 7.192 -11.013 1.00 0.00 C ATOM 389 O CYS A 245 -9.063 7.654 -11.553 1.00 0.00 O ATOM 390 CB CYS A 245 -7.577 8.345 -8.845 1.00 0.00 C ATOM 391 SG CYS A 245 -7.104 7.044 -7.661 1.00 0.00 S ATOM 0 H CYS A 245 -7.429 10.148 -10.561 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.111 7.607 -10.233 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.186 9.300 -8.494 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.663 8.431 -8.859 1.00 0.00 H new ATOM 0 HG CYS A 245 -8.135 6.719 -6.938 1.00 0.00 H new ATOM 396 N GLU A 246 -7.754 5.898 -11.033 1.00 0.00 N ATOM 397 CA GLU A 246 -8.605 4.925 -11.708 1.00 0.00 C ATOM 398 C GLU A 246 -9.633 4.340 -10.744 1.00 0.00 C ATOM 399 O GLU A 246 -10.364 3.410 -11.088 1.00 0.00 O ATOM 400 CB GLU A 246 -7.756 3.803 -12.309 1.00 0.00 C ATOM 401 CG GLU A 246 -7.215 4.122 -13.693 1.00 0.00 C ATOM 402 CD GLU A 246 -8.218 3.831 -14.793 1.00 0.00 C ATOM 403 OE1 GLU A 246 -9.282 4.485 -14.814 1.00 0.00 O ATOM 404 OE2 GLU A 246 -7.939 2.950 -15.632 1.00 0.00 O ATOM 0 H GLU A 246 -6.926 5.500 -10.590 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.136 5.438 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.920 3.594 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.356 2.895 -12.363 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -6.931 5.173 -13.734 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -6.310 3.540 -13.868 1.00 0.00 H new ATOM 411 N HIS A 247 -9.683 4.891 -9.536 1.00 0.00 N ATOM 412 CA HIS A 247 -10.621 4.424 -8.521 1.00 0.00 C ATOM 413 C HIS A 247 -11.570 5.543 -8.103 1.00 0.00 C ATOM 414 O HIS A 247 -12.766 5.498 -8.395 1.00 0.00 O ATOM 415 CB HIS A 247 -9.865 3.898 -7.300 1.00 0.00 C ATOM 416 CG HIS A 247 -10.761 3.376 -6.220 1.00 0.00 C ATOM 417 ND1 HIS A 247 -11.155 2.057 -6.142 1.00 0.00 N ATOM 418 CD2 HIS A 247 -11.339 4.003 -5.169 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.938 1.895 -5.090 1.00 0.00 C ATOM 420 NE2 HIS A 247 -12.065 3.061 -4.482 1.00 0.00 N ATOM 0 H HIS A 247 -9.085 5.661 -9.236 1.00 0.00 H new ATOM 0 HA HIS A 247 -11.209 3.614 -8.951 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -9.189 3.103 -7.616 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -9.247 4.698 -6.893 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.884 1.321 -6.794 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -11.247 5.049 -4.917 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -12.396 0.967 -4.780 1.00 0.00 H new ATOM 428 N CYS A 248 -11.031 6.545 -7.418 1.00 0.00 N ATOM 429 CA CYS A 248 -11.829 7.675 -6.958 1.00 0.00 C ATOM 430 C CYS A 248 -12.108 8.645 -8.102 1.00 0.00 C ATOM 431 O CYS A 248 -12.967 9.519 -7.994 1.00 0.00 O ATOM 432 CB CYS A 248 -11.111 8.404 -5.820 1.00 0.00 C ATOM 433 SG CYS A 248 -9.657 9.363 -6.353 1.00 0.00 S ATOM 0 H CYS A 248 -10.043 6.598 -7.169 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.780 7.290 -6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.816 9.076 -5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.798 7.673 -5.075 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.682 8.551 -6.635 1.00 0.00 H new ATOM 438 N GLY A 249 -11.375 8.484 -9.200 1.00 0.00 N ATOM 439 CA GLY A 249 -11.558 9.351 -10.349 1.00 0.00 C ATOM 440 C GLY A 249 -11.412 10.818 -9.997 1.00 0.00 C ATOM 441 O GLY A 249 -12.304 11.623 -10.268 1.00 0.00 O ATOM 0 H GLY A 249 -10.657 7.768 -9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.829 9.090 -11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.546 9.180 -10.776 1.00 0.00 H new ATOM 445 N THR A 250 -10.283 11.169 -9.388 1.00 0.00 N ATOM 446 CA THR A 250 -10.023 12.549 -8.995 1.00 0.00 C ATOM 447 C THR A 250 -8.578 12.940 -9.282 1.00 0.00 C ATOM 448 O THR A 250 -7.797 12.137 -9.794 1.00 0.00 O ATOM 449 CB THR A 250 -10.316 12.771 -7.499 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.269 12.201 -6.705 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.649 12.151 -7.111 1.00 0.00 C ATOM 0 H THR A 250 -9.534 10.516 -9.156 1.00 0.00 H new ATOM 0 HA THR A 250 -10.690 13.177 -9.586 1.00 0.00 H new ATOM 0 HB THR A 250 -10.366 13.844 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.304 11.224 -6.770 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.834 12.321 -6.050 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.447 12.608 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.623 11.079 -7.308 1.00 0.00 H new ATOM 459 N LEU A 251 -8.228 14.177 -8.949 1.00 0.00 N ATOM 460 CA LEU A 251 -6.875 14.675 -9.171 1.00 0.00 C ATOM 461 C LEU A 251 -5.987 14.396 -7.962 1.00 0.00 C ATOM 462 O LEU A 251 -6.479 14.109 -6.870 1.00 0.00 O ATOM 463 CB LEU A 251 -6.904 16.176 -9.461 1.00 0.00 C ATOM 464 CG LEU A 251 -7.370 16.581 -10.860 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.889 16.597 -10.932 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.801 17.940 -11.239 1.00 0.00 C ATOM 0 H LEU A 251 -8.862 14.854 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.459 14.153 -10.033 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.556 16.654 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -5.902 16.575 -9.304 1.00 0.00 H new ATOM 0 HG LEU A 251 -7.001 15.844 -11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -9.203 16.887 -11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.275 15.603 -10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -9.280 17.312 -10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -7.143 18.212 -12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -7.140 18.689 -10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.712 17.894 -11.228 1.00 0.00 H new ATOM 478 N LEU A 252 -4.677 14.484 -8.164 1.00 0.00 N ATOM 479 CA LEU A 252 -3.720 14.243 -7.090 1.00 0.00 C ATOM 480 C LEU A 252 -2.805 15.449 -6.895 1.00 0.00 C ATOM 481 O LEU A 252 -2.141 15.893 -7.831 1.00 0.00 O ATOM 482 CB LEU A 252 -2.884 12.999 -7.394 1.00 0.00 C ATOM 483 CG LEU A 252 -3.638 11.817 -8.004 1.00 0.00 C ATOM 484 CD1 LEU A 252 -4.003 12.106 -9.451 1.00 0.00 C ATOM 485 CD2 LEU A 252 -2.807 10.546 -7.905 1.00 0.00 C ATOM 0 H LEU A 252 -4.253 14.720 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.279 14.081 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.081 13.283 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.414 12.666 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.560 11.669 -7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -4.539 11.254 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -4.638 12.991 -9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -3.095 12.281 -10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.359 9.715 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -1.868 10.682 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -2.597 10.329 -6.858 1.00 0.00 H new ATOM 497 N TRP A 253 -2.775 15.971 -5.674 1.00 0.00 N ATOM 498 CA TRP A 253 -1.940 17.124 -5.356 1.00 0.00 C ATOM 499 C TRP A 253 -0.780 16.723 -4.453 1.00 0.00 C ATOM 500 O TRP A 253 -0.965 16.479 -3.261 1.00 0.00 O ATOM 501 CB TRP A 253 -2.775 18.214 -4.682 1.00 0.00 C ATOM 502 CG TRP A 253 -2.201 19.588 -4.847 1.00 0.00 C ATOM 503 CD1 TRP A 253 -1.224 20.165 -4.087 1.00 0.00 C ATOM 504 CD2 TRP A 253 -2.571 20.559 -5.832 1.00 0.00 C ATOM 505 NE1 TRP A 253 -0.964 21.436 -4.541 1.00 0.00 N ATOM 506 CE2 TRP A 253 -1.777 21.701 -5.610 1.00 0.00 C ATOM 507 CE3 TRP A 253 -3.495 20.575 -6.880 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -1.881 22.844 -6.399 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -3.597 21.710 -7.662 1.00 0.00 C ATOM 510 CH2 TRP A 253 -2.793 22.832 -7.418 1.00 0.00 C ATOM 0 H TRP A 253 -3.319 15.614 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.532 17.514 -6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.783 18.197 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -2.862 17.990 -3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -0.728 19.692 -3.252 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -0.277 22.078 -4.146 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -4.119 19.715 -7.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -1.263 23.710 -6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -4.308 21.733 -8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -2.896 23.704 -8.047 1.00 0.00 H new ATOM 521 N GLY A 254 0.417 16.656 -5.027 1.00 0.00 N ATOM 522 CA GLY A 254 1.590 16.284 -4.258 1.00 0.00 C ATOM 523 C GLY A 254 2.822 17.070 -4.661 1.00 0.00 C ATOM 524 O GLY A 254 2.747 17.966 -5.503 1.00 0.00 O ATOM 0 H GLY A 254 0.595 16.853 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.391 16.444 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.783 15.219 -4.389 1.00 0.00 H new ATOM 528 N LEU A 255 3.958 16.736 -4.060 1.00 0.00 N ATOM 529 CA LEU A 255 5.212 17.418 -4.360 1.00 0.00 C ATOM 530 C LEU A 255 6.282 16.423 -4.798 1.00 0.00 C ATOM 531 O LEU A 255 6.845 16.542 -5.886 1.00 0.00 O ATOM 532 CB LEU A 255 5.696 18.199 -3.137 1.00 0.00 C ATOM 533 CG LEU A 255 6.881 19.137 -3.366 1.00 0.00 C ATOM 534 CD1 LEU A 255 8.188 18.359 -3.351 1.00 0.00 C ATOM 535 CD2 LEU A 255 6.721 19.889 -4.679 1.00 0.00 C ATOM 0 H LEU A 255 4.037 15.997 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 255 5.031 18.113 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.862 18.787 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.968 17.485 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 255 6.905 19.865 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 255 9.021 19.043 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 255 8.308 17.867 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 255 8.174 17.608 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 255 7.574 20.552 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 255 6.670 19.177 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 255 5.804 20.478 -4.652 1.00 0.00 H new ATOM 547 N ALA A 256 6.555 15.441 -3.945 1.00 0.00 N ATOM 548 CA ALA A 256 7.554 14.423 -4.246 1.00 0.00 C ATOM 549 C ALA A 256 6.919 13.039 -4.329 1.00 0.00 C ATOM 550 O ALA A 256 7.408 12.164 -5.044 1.00 0.00 O ATOM 551 CB ALA A 256 8.656 14.439 -3.197 1.00 0.00 C ATOM 0 H ALA A 256 6.098 15.329 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 256 7.990 14.653 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 256 9.395 13.674 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 256 9.136 15.417 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.227 14.237 -2.216 1.00 0.00 H new ATOM 557 N ARG A 257 5.829 12.848 -3.594 1.00 0.00 N ATOM 558 CA ARG A 257 5.128 11.569 -3.583 1.00 0.00 C ATOM 559 C ARG A 257 3.790 11.676 -4.309 1.00 0.00 C ATOM 560 O ARG A 257 2.776 11.162 -3.838 1.00 0.00 O ATOM 561 CB ARG A 257 4.905 11.098 -2.145 1.00 0.00 C ATOM 562 CG ARG A 257 6.193 10.886 -1.367 1.00 0.00 C ATOM 563 CD ARG A 257 5.975 9.979 -0.166 1.00 0.00 C ATOM 564 NE ARG A 257 7.184 9.842 0.643 1.00 0.00 N ATOM 565 CZ ARG A 257 7.295 8.995 1.660 1.00 0.00 C ATOM 566 NH1 ARG A 257 6.276 8.214 1.992 1.00 0.00 N ATOM 567 NH2 ARG A 257 8.428 8.928 2.348 1.00 0.00 N ATOM 0 H ARG A 257 5.412 13.563 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 257 5.747 10.839 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 257 4.291 11.832 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.342 10.165 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 257 6.947 10.450 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 257 6.580 11.848 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 257 5.170 10.380 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 257 5.654 8.995 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 257 7.986 10.429 0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 257 5.404 8.263 1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 257 6.365 7.565 2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 257 9.214 9.527 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 257 8.513 8.277 3.129 1.00 0.00 H new ATOM 581 N GLN A 258 3.797 12.348 -5.456 1.00 0.00 N ATOM 582 CA GLN A 258 2.583 12.523 -6.245 1.00 0.00 C ATOM 583 C GLN A 258 1.906 11.182 -6.507 1.00 0.00 C ATOM 584 O GLN A 258 2.142 10.546 -7.533 1.00 0.00 O ATOM 585 CB GLN A 258 2.907 13.212 -7.571 1.00 0.00 C ATOM 586 CG GLN A 258 1.676 13.691 -8.324 1.00 0.00 C ATOM 587 CD GLN A 258 1.054 14.925 -7.700 1.00 0.00 C ATOM 588 OE1 GLN A 258 0.210 14.825 -6.809 1.00 0.00 O ATOM 589 NE2 GLN A 258 1.467 16.097 -8.167 1.00 0.00 N ATOM 0 H GLN A 258 4.629 12.780 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 258 1.897 13.150 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.559 14.064 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 258 3.464 12.521 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 258 1.948 13.909 -9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 258 0.937 12.890 -8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 258 2.169 16.133 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 258 1.083 16.962 -7.786 1.00 0.00 H new ATOM 598 N GLY A 259 1.062 10.757 -5.571 1.00 0.00 N ATOM 599 CA GLY A 259 0.364 9.494 -5.719 1.00 0.00 C ATOM 600 C GLY A 259 1.306 8.342 -6.010 1.00 0.00 C ATOM 601 O GLY A 259 2.484 8.388 -5.653 1.00 0.00 O ATOM 0 H GLY A 259 0.850 11.266 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.194 9.282 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.364 9.577 -6.526 1.00 0.00 H new ATOM 605 N LEU A 260 0.787 7.304 -6.657 1.00 0.00 N ATOM 606 CA LEU A 260 1.589 6.134 -6.994 1.00 0.00 C ATOM 607 C LEU A 260 1.264 5.637 -8.399 1.00 0.00 C ATOM 608 O LEU A 260 0.183 5.897 -8.927 1.00 0.00 O ATOM 609 CB LEU A 260 1.349 5.016 -5.978 1.00 0.00 C ATOM 610 CG LEU A 260 1.428 5.420 -4.505 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.801 4.351 -3.624 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.872 5.671 -4.097 1.00 0.00 C ATOM 0 H LEU A 260 -0.186 7.249 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 260 2.639 6.424 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.364 4.588 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.079 4.226 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 260 0.868 6.346 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.866 4.656 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.246 4.221 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.332 3.409 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.909 5.957 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.455 4.762 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.288 6.473 -4.706 1.00 0.00 H new ATOM 624 N LYS A 261 2.207 4.919 -9.000 1.00 0.00 N ATOM 625 CA LYS A 261 2.021 4.381 -10.343 1.00 0.00 C ATOM 626 C LYS A 261 2.517 2.941 -10.426 1.00 0.00 C ATOM 627 O LYS A 261 3.673 2.653 -10.114 1.00 0.00 O ATOM 628 CB LYS A 261 2.759 5.246 -11.367 1.00 0.00 C ATOM 629 CG LYS A 261 2.485 4.851 -12.808 1.00 0.00 C ATOM 630 CD LYS A 261 3.463 3.794 -13.292 1.00 0.00 C ATOM 631 CE LYS A 261 4.839 4.387 -13.554 1.00 0.00 C ATOM 632 NZ LYS A 261 4.779 5.525 -14.512 1.00 0.00 N ATOM 0 H LYS A 261 3.108 4.696 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 261 0.954 4.392 -10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.472 6.288 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 261 3.831 5.182 -11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 261 1.466 4.473 -12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.554 5.731 -13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 261 3.543 3.002 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 261 3.083 3.336 -14.205 1.00 0.00 H new ATOM 0 HE2 LYS A 261 5.273 4.726 -12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 261 5.498 3.614 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 5.713 5.660 -14.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 4.077 5.320 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 4.505 6.391 -14.006 1.00 0.00 H new ATOM 646 N CYS A 262 1.637 2.041 -10.850 1.00 0.00 N ATOM 647 CA CYS A 262 1.985 0.631 -10.976 1.00 0.00 C ATOM 648 C CYS A 262 3.030 0.424 -12.069 1.00 0.00 C ATOM 649 O CYS A 262 2.805 0.766 -13.230 1.00 0.00 O ATOM 650 CB CYS A 262 0.737 -0.199 -11.285 1.00 0.00 C ATOM 651 SG CYS A 262 0.801 -1.903 -10.646 1.00 0.00 S ATOM 0 H CYS A 262 0.677 2.263 -11.112 1.00 0.00 H new ATOM 0 HA CYS A 262 2.407 0.301 -10.027 1.00 0.00 H new ATOM 0 HB2 CYS A 262 -0.134 0.303 -10.864 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.594 -0.232 -12.365 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.397 -2.407 -10.633 1.00 0.00 H new ATOM 656 N ASP A 263 4.172 -0.138 -11.689 1.00 0.00 N ATOM 657 CA ASP A 263 5.252 -0.392 -12.636 1.00 0.00 C ATOM 658 C ASP A 263 5.017 -1.697 -13.390 1.00 0.00 C ATOM 659 O ASP A 263 5.813 -2.083 -14.246 1.00 0.00 O ATOM 660 CB ASP A 263 6.596 -0.444 -11.908 1.00 0.00 C ATOM 661 CG ASP A 263 7.748 -0.001 -12.787 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.799 1.197 -13.138 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.599 -0.851 -13.125 1.00 0.00 O ATOM 0 H ASP A 263 4.374 -0.427 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 263 5.270 0.425 -13.357 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.552 0.192 -11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.778 -1.461 -11.560 1.00 0.00 H new ATOM 668 N ALA A 264 3.919 -2.372 -13.066 1.00 0.00 N ATOM 669 CA ALA A 264 3.579 -3.633 -13.714 1.00 0.00 C ATOM 670 C ALA A 264 2.592 -3.415 -14.856 1.00 0.00 C ATOM 671 O ALA A 264 2.958 -3.486 -16.029 1.00 0.00 O ATOM 672 CB ALA A 264 3.007 -4.611 -12.698 1.00 0.00 C ATOM 0 H ALA A 264 3.250 -2.067 -12.359 1.00 0.00 H new ATOM 0 HA ALA A 264 4.492 -4.055 -14.134 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.758 -5.548 -13.196 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.745 -4.799 -11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.108 -4.187 -12.251 1.00 0.00 H new ATOM 678 N CYS A 265 1.338 -3.150 -14.505 1.00 0.00 N ATOM 679 CA CYS A 265 0.297 -2.922 -15.500 1.00 0.00 C ATOM 680 C CYS A 265 0.371 -1.500 -16.049 1.00 0.00 C ATOM 681 O CYS A 265 0.163 -1.272 -17.240 1.00 0.00 O ATOM 682 CB CYS A 265 -1.084 -3.174 -14.890 1.00 0.00 C ATOM 683 SG CYS A 265 -1.486 -2.088 -13.485 1.00 0.00 S ATOM 0 H CYS A 265 1.018 -3.088 -13.538 1.00 0.00 H new ATOM 0 HA CYS A 265 0.456 -3.619 -16.323 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.840 -3.044 -15.664 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -1.140 -4.212 -14.561 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.548 -2.172 -12.589 1.00 0.00 H new ATOM 688 N GLY A 266 0.668 -0.547 -15.171 1.00 0.00 N ATOM 689 CA GLY A 266 0.764 0.840 -15.586 1.00 0.00 C ATOM 690 C GLY A 266 -0.487 1.631 -15.258 1.00 0.00 C ATOM 691 O GLY A 266 -1.193 2.090 -16.156 1.00 0.00 O ATOM 0 H GLY A 266 0.844 -0.711 -14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.622 1.303 -15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 266 0.946 0.883 -16.660 1.00 0.00 H new ATOM 695 N MET A 267 -0.763 1.791 -13.968 1.00 0.00 N ATOM 696 CA MET A 267 -1.938 2.532 -13.524 1.00 0.00 C ATOM 697 C MET A 267 -1.564 3.555 -12.456 1.00 0.00 C ATOM 698 O MET A 267 -0.647 3.334 -11.666 1.00 0.00 O ATOM 699 CB MET A 267 -2.997 1.572 -12.979 1.00 0.00 C ATOM 700 CG MET A 267 -4.398 2.162 -12.956 1.00 0.00 C ATOM 701 SD MET A 267 -5.466 1.369 -11.739 1.00 0.00 S ATOM 702 CE MET A 267 -4.778 -0.285 -11.711 1.00 0.00 C ATOM 0 H MET A 267 -0.189 1.418 -13.212 1.00 0.00 H new ATOM 0 HA MET A 267 -2.348 3.063 -14.383 1.00 0.00 H new ATOM 0 HB2 MET A 267 -3.003 0.667 -13.587 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.720 1.275 -11.968 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.335 3.228 -12.739 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.846 2.064 -13.945 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.525 -0.983 -11.334 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.487 -0.575 -12.721 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.903 -0.304 -11.061 1.00 0.00 H new ATOM 712 N ASN A 268 -2.280 4.674 -12.439 1.00 0.00 N ATOM 713 CA ASN A 268 -2.023 5.732 -11.468 1.00 0.00 C ATOM 714 C ASN A 268 -3.163 5.834 -10.459 1.00 0.00 C ATOM 715 O ASN A 268 -4.300 6.140 -10.820 1.00 0.00 O ATOM 716 CB ASN A 268 -1.836 7.073 -12.180 1.00 0.00 C ATOM 717 CG ASN A 268 -0.985 6.949 -13.430 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.213 6.674 -13.354 1.00 0.00 O ATOM 719 ND2 ASN A 268 -1.602 7.154 -14.588 1.00 0.00 N ATOM 0 H ASN A 268 -3.043 4.872 -13.086 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.108 5.483 -10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.812 7.479 -12.447 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.371 7.783 -11.496 1.00 0.00 H new ATOM 0 HD21 ASN A 268 -1.081 7.086 -15.462 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -2.597 7.380 -14.603 1.00 0.00 H new ATOM 726 N VAL A 269 -2.851 5.576 -9.193 1.00 0.00 N ATOM 727 CA VAL A 269 -3.848 5.641 -8.131 1.00 0.00 C ATOM 728 C VAL A 269 -3.252 6.218 -6.852 1.00 0.00 C ATOM 729 O VAL A 269 -2.039 6.172 -6.644 1.00 0.00 O ATOM 730 CB VAL A 269 -4.436 4.250 -7.829 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.746 3.508 -9.120 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.482 3.446 -6.958 1.00 0.00 C ATOM 0 H VAL A 269 -1.915 5.320 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.645 6.296 -8.484 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.369 4.381 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.160 2.528 -8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.470 4.078 -9.703 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.830 3.386 -9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.913 2.466 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.531 3.323 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -3.317 3.972 -6.018 1.00 0.00 H new ATOM 742 N HIS A 270 -4.113 6.760 -5.997 1.00 0.00 N ATOM 743 CA HIS A 270 -3.672 7.346 -4.736 1.00 0.00 C ATOM 744 C HIS A 270 -3.070 6.282 -3.824 1.00 0.00 C ATOM 745 O HIS A 270 -3.106 5.091 -4.135 1.00 0.00 O ATOM 746 CB HIS A 270 -4.842 8.034 -4.032 1.00 0.00 C ATOM 747 CG HIS A 270 -5.170 9.383 -4.595 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.323 9.642 -5.306 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.489 10.552 -4.546 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.336 10.912 -5.671 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.234 11.486 -5.223 1.00 0.00 N ATOM 0 H HIS A 270 -5.120 6.806 -6.154 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.904 8.087 -4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.723 7.396 -4.102 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.607 8.139 -2.973 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -7.052 8.960 -5.517 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.537 10.719 -4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.115 11.398 -6.239 1.00 0.00 H new ATOM 759 N HIS A 271 -2.514 6.719 -2.698 1.00 0.00 N ATOM 760 CA HIS A 271 -1.903 5.804 -1.741 1.00 0.00 C ATOM 761 C HIS A 271 -2.949 4.870 -1.139 1.00 0.00 C ATOM 762 O HIS A 271 -2.687 3.686 -0.924 1.00 0.00 O ATOM 763 CB HIS A 271 -1.202 6.587 -0.631 1.00 0.00 C ATOM 764 CG HIS A 271 -0.013 7.365 -1.106 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.229 7.276 -0.515 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.117 8.249 -2.123 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.073 8.073 -1.147 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.423 8.674 -2.127 1.00 0.00 N ATOM 0 H HIS A 271 -2.474 7.701 -2.426 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.166 5.201 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.916 7.273 -0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.885 5.893 0.147 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.661 8.562 -2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.116 8.209 -0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 271 1.826 9.345 -2.781 1.00 0.00 H new ATOM 776 N ARG A 272 -4.132 5.411 -0.869 1.00 0.00 N ATOM 777 CA ARG A 272 -5.216 4.626 -0.289 1.00 0.00 C ATOM 778 C ARG A 272 -6.059 3.974 -1.381 1.00 0.00 C ATOM 779 O ARG A 272 -6.469 2.819 -1.258 1.00 0.00 O ATOM 780 CB ARG A 272 -6.100 5.510 0.593 1.00 0.00 C ATOM 781 CG ARG A 272 -7.037 4.726 1.497 1.00 0.00 C ATOM 782 CD ARG A 272 -6.358 4.339 2.801 1.00 0.00 C ATOM 783 NE ARG A 272 -6.267 5.465 3.727 1.00 0.00 N ATOM 784 CZ ARG A 272 -5.610 5.418 4.880 1.00 0.00 C ATOM 785 NH1 ARG A 272 -4.987 4.307 5.247 1.00 0.00 N ATOM 786 NH2 ARG A 272 -5.573 6.485 5.668 1.00 0.00 N ATOM 0 H ARG A 272 -4.365 6.389 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.774 3.840 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.464 6.147 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.690 6.169 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.923 5.324 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -7.375 3.827 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -6.913 3.527 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.357 3.961 2.590 1.00 0.00 H new ATOM 0 HE ARG A 272 -6.734 6.336 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -5.011 3.485 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -4.483 4.274 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -6.050 7.342 5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -5.068 6.448 6.553 1.00 0.00 H new ATOM 800 N CYS A 273 -6.316 4.722 -2.449 1.00 0.00 N ATOM 801 CA CYS A 273 -7.111 4.219 -3.563 1.00 0.00 C ATOM 802 C CYS A 273 -6.445 3.004 -4.201 1.00 0.00 C ATOM 803 O CYS A 273 -7.059 2.294 -4.997 1.00 0.00 O ATOM 804 CB CYS A 273 -7.309 5.315 -4.611 1.00 0.00 C ATOM 805 SG CYS A 273 -8.241 6.760 -4.009 1.00 0.00 S ATOM 0 H CYS A 273 -5.985 5.680 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.084 3.916 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.332 5.647 -4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.830 4.892 -5.470 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.627 7.479 -5.021 1.00 0.00 H new ATOM 810 N GLN A 274 -5.185 2.772 -3.846 1.00 0.00 N ATOM 811 CA GLN A 274 -4.436 1.643 -4.385 1.00 0.00 C ATOM 812 C GLN A 274 -4.882 0.335 -3.739 1.00 0.00 C ATOM 813 O GLN A 274 -5.095 -0.667 -4.423 1.00 0.00 O ATOM 814 CB GLN A 274 -2.936 1.848 -4.166 1.00 0.00 C ATOM 815 CG GLN A 274 -2.430 1.283 -2.848 1.00 0.00 C ATOM 816 CD GLN A 274 -0.946 1.512 -2.646 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.540 2.371 -1.863 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.126 0.742 -3.352 1.00 0.00 N ATOM 0 H GLN A 274 -4.662 3.350 -3.188 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.635 1.585 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.390 1.380 -4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.714 2.915 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.980 1.741 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.637 0.213 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.506 0.042 -3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.884 0.850 -3.257 1.00 0.00 H new ATOM 827 N THR A 275 -5.022 0.351 -2.417 1.00 0.00 N ATOM 828 CA THR A 275 -5.441 -0.833 -1.679 1.00 0.00 C ATOM 829 C THR A 275 -6.920 -1.126 -1.903 1.00 0.00 C ATOM 830 O THR A 275 -7.474 -2.060 -1.322 1.00 0.00 O ATOM 831 CB THR A 275 -5.184 -0.673 -0.168 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.506 0.659 0.245 1.00 0.00 O ATOM 833 CG2 THR A 275 -3.732 -0.977 0.169 1.00 0.00 C ATOM 0 H THR A 275 -4.851 1.172 -1.836 1.00 0.00 H new ATOM 0 HA THR A 275 -4.848 -1.666 -2.055 1.00 0.00 H new ATOM 0 HB THR A 275 -5.820 -1.381 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.342 0.752 1.207 1.00 0.00 H new ATOM 0 HG21 THR A 275 -3.575 -0.857 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.498 -2.002 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.081 -0.290 -0.372 1.00 0.00 H new ATOM 841 N LYS A 276 -7.556 -0.322 -2.748 1.00 0.00 N ATOM 842 CA LYS A 276 -8.971 -0.495 -3.052 1.00 0.00 C ATOM 843 C LYS A 276 -9.159 -1.178 -4.403 1.00 0.00 C ATOM 844 O LYS A 276 -10.233 -1.700 -4.702 1.00 0.00 O ATOM 845 CB LYS A 276 -9.684 0.859 -3.050 1.00 0.00 C ATOM 846 CG LYS A 276 -9.662 1.556 -1.700 1.00 0.00 C ATOM 847 CD LYS A 276 -10.574 2.771 -1.685 1.00 0.00 C ATOM 848 CE LYS A 276 -12.005 2.390 -1.337 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.141 1.997 0.093 1.00 0.00 N ATOM 0 H LYS A 276 -7.113 0.457 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.407 -1.130 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.217 1.507 -3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.719 0.715 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.973 0.857 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.643 1.862 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.203 3.497 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -10.553 3.255 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -12.666 3.231 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -12.326 1.565 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -13.140 2.057 0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -11.803 1.021 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -11.575 2.638 0.685 1.00 0.00 H new ATOM 863 N VAL A 277 -8.106 -1.173 -5.214 1.00 0.00 N ATOM 864 CA VAL A 277 -8.154 -1.794 -6.532 1.00 0.00 C ATOM 865 C VAL A 277 -7.962 -3.304 -6.436 1.00 0.00 C ATOM 866 O VAL A 277 -7.393 -3.806 -5.467 1.00 0.00 O ATOM 867 CB VAL A 277 -7.080 -1.210 -7.468 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.506 -1.346 -8.922 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.804 0.245 -7.119 1.00 0.00 C ATOM 0 H VAL A 277 -7.209 -0.746 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.140 -1.581 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.158 -1.775 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.734 -0.928 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.649 -2.400 -9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.441 -0.808 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -6.043 0.642 -7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.721 0.825 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.451 0.312 -6.090 1.00 0.00 H new ATOM 879 N ALA A 278 -8.439 -4.021 -7.448 1.00 0.00 N ATOM 880 CA ALA A 278 -8.317 -5.474 -7.478 1.00 0.00 C ATOM 881 C ALA A 278 -6.855 -5.903 -7.422 1.00 0.00 C ATOM 882 O ALA A 278 -5.963 -5.153 -7.814 1.00 0.00 O ATOM 883 CB ALA A 278 -8.986 -6.033 -8.725 1.00 0.00 C ATOM 0 H ALA A 278 -8.913 -3.620 -8.257 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.820 -5.875 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -8.888 -7.119 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.042 -5.764 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.508 -5.617 -9.612 1.00 0.00 H new ATOM 889 N ASN A 279 -6.618 -7.115 -6.931 1.00 0.00 N ATOM 890 CA ASN A 279 -5.263 -7.644 -6.823 1.00 0.00 C ATOM 891 C ASN A 279 -4.908 -8.485 -8.045 1.00 0.00 C ATOM 892 O ASN A 279 -4.291 -9.544 -7.926 1.00 0.00 O ATOM 893 CB ASN A 279 -5.122 -8.486 -5.553 1.00 0.00 C ATOM 894 CG ASN A 279 -5.425 -7.692 -4.297 1.00 0.00 C ATOM 895 OD1 ASN A 279 -4.518 -7.300 -3.563 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.707 -7.453 -4.043 1.00 0.00 N ATOM 0 H ASN A 279 -7.346 -7.749 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.574 -6.801 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.796 -9.341 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.108 -8.882 -5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -6.972 -6.925 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -7.426 -7.797 -4.680 1.00 0.00 H new ATOM 903 N LEU A 280 -5.299 -8.005 -9.221 1.00 0.00 N ATOM 904 CA LEU A 280 -5.022 -8.711 -10.466 1.00 0.00 C ATOM 905 C LEU A 280 -4.217 -7.835 -11.421 1.00 0.00 C ATOM 906 O LEU A 280 -4.780 -7.140 -12.267 1.00 0.00 O ATOM 907 CB LEU A 280 -6.329 -9.143 -11.133 1.00 0.00 C ATOM 908 CG LEU A 280 -7.330 -9.873 -10.236 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.587 -10.226 -11.016 1.00 0.00 C ATOM 910 CD2 LEU A 280 -6.700 -11.124 -9.641 1.00 0.00 C ATOM 0 H LEU A 280 -5.809 -7.129 -9.338 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.432 -9.596 -10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -6.816 -8.257 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.087 -9.790 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.609 -9.208 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.288 -10.745 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.050 -9.314 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -8.326 -10.873 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -7.427 -11.630 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.391 -11.793 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -5.830 -10.846 -9.046 1.00 0.00 H new ATOM 922 N CYS A 281 -2.896 -7.875 -11.281 1.00 0.00 N ATOM 923 CA CYS A 281 -2.012 -7.087 -12.132 1.00 0.00 C ATOM 924 C CYS A 281 -1.526 -7.910 -13.321 1.00 0.00 C ATOM 925 O CYS A 281 -0.823 -8.906 -13.155 1.00 0.00 O ATOM 926 CB CYS A 281 -0.815 -6.579 -11.326 1.00 0.00 C ATOM 927 SG CYS A 281 0.051 -5.170 -12.090 1.00 0.00 S ATOM 0 H CYS A 281 -2.414 -8.445 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.576 -6.234 -12.509 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.157 -6.287 -10.333 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.107 -7.397 -11.192 1.00 0.00 H new ATOM 0 HG CYS A 281 0.112 -4.187 -11.242 1.00 0.00 H new ATOM 932 N GLY A 282 -1.906 -7.486 -14.523 1.00 0.00 N ATOM 933 CA GLY A 282 -1.500 -8.194 -15.722 1.00 0.00 C ATOM 934 C GLY A 282 -2.600 -9.078 -16.274 1.00 0.00 C ATOM 935 O GLY A 282 -2.738 -9.225 -17.489 1.00 0.00 O ATOM 0 H GLY A 282 -2.488 -6.665 -14.687 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.202 -7.473 -16.483 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.624 -8.804 -15.501 1.00 0.00 H new ATOM 939 N ILE A 283 -3.385 -9.671 -15.380 1.00 0.00 N ATOM 940 CA ILE A 283 -4.478 -10.546 -15.785 1.00 0.00 C ATOM 941 C ILE A 283 -5.624 -9.747 -16.396 1.00 0.00 C ATOM 942 O ILE A 283 -6.380 -10.259 -17.220 1.00 0.00 O ATOM 943 CB ILE A 283 -5.014 -11.364 -14.595 1.00 0.00 C ATOM 944 CG1 ILE A 283 -3.902 -12.231 -14.002 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.189 -12.226 -15.032 1.00 0.00 C ATOM 946 CD1 ILE A 283 -3.071 -11.518 -12.958 1.00 0.00 C ATOM 0 H ILE A 283 -3.284 -9.561 -14.371 1.00 0.00 H new ATOM 0 HA ILE A 283 -4.075 -11.229 -16.533 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.361 -10.674 -13.825 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.345 -13.121 -13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.248 -12.569 -14.806 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.557 -12.798 -14.180 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -6.987 -11.588 -15.412 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.866 -12.910 -15.817 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -2.302 -12.193 -12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -2.599 -10.643 -13.404 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.713 -11.204 -12.135 1.00 0.00 H new ATOM 958 N ASN A 284 -5.746 -8.489 -15.986 1.00 0.00 N ATOM 959 CA ASN A 284 -6.799 -7.618 -16.494 1.00 0.00 C ATOM 960 C ASN A 284 -6.208 -6.365 -17.135 1.00 0.00 C ATOM 961 O ASN A 284 -6.273 -6.188 -18.351 1.00 0.00 O ATOM 962 CB ASN A 284 -7.754 -7.225 -15.365 1.00 0.00 C ATOM 963 CG ASN A 284 -9.047 -6.626 -15.883 1.00 0.00 C ATOM 964 OD1 ASN A 284 -9.669 -7.163 -16.800 1.00 0.00 O ATOM 965 ND2 ASN A 284 -9.459 -5.508 -15.296 1.00 0.00 N ATOM 0 H ASN A 284 -5.128 -8.050 -15.303 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.353 -8.167 -17.255 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.980 -8.104 -14.762 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.261 -6.507 -14.710 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.323 -5.060 -15.602 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -8.912 -5.098 -14.539 1.00 0.00 H new