USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=17 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 232 HIS : no HD1:sc= -0.0693 X(o=-7.9,f=-8.3) USER MOD Set 1.2: A 262 CYS SG : rot -17:sc= -5.71 USER MOD Set 1.3: A 265 CYS SG : rot -56:sc= 0.359 USER MOD Set 1.4: A 281 CYS SG : rot 59:sc= -2.46 USER MOD Set 2.1: A 245 CYS SG : rot 146:sc= 0.909 USER MOD Set 2.2: A 248 CYS SG : rot -65:sc= 1.66 USER MOD Set 2.3: A 250 THR OG1 : rot -97:sc= 1.16 USER MOD Set 2.4: A 270 HIS : no HD1:sc= -0.0634 K(o=2.5,f=1.2) USER MOD Set 2.5: A 273 CYS SG : rot -166:sc= -1.18 USER MOD Single : A 230 MET CE :methyl 153:sc=-0.00216 (180deg=-1.11) USER MOD Single : A 235 LYS NZ :NH3+ 167:sc= 0.161 (180deg=-0.418!) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.056) USER MOD Single : A 239 TYR OH : rot 32:sc= 0.634 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 -159:sc= -0.0253 USER MOD Single : A 247 HIS : no HD1:sc= -5.34! K(o=-5.3!,f=-4.7) USER MOD Single : A 258 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.9!) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl 164:sc= 0 (180deg=-0.316) USER MOD Single : A 268 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.61) USER MOD Single : A 271 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-17!) USER MOD Single : A 274 GLN : amide:sc= -2.73 K(o=-2.7,f=-4.3!) USER MOD Single : A 275 THR OG1 : rot -52:sc= 0.647 USER MOD Single : A 276 LYS NZ :NH3+ -164:sc= -0.147 (180deg=-0.49) USER MOD Single : A 279 ASN : amide:sc= -0.957 K(o=-0.96,f=-2.7!) USER MOD Single : A 284 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.246 -14.539 -8.496 1.00 0.00 N ATOM 108 CA ASP A 229 -2.680 -13.146 -8.482 1.00 0.00 C ATOM 109 C ASP A 229 -1.487 -12.204 -8.604 1.00 0.00 C ATOM 110 O ASP A 229 -0.475 -12.378 -7.926 1.00 0.00 O ATOM 111 CB ASP A 229 -3.455 -12.844 -7.198 1.00 0.00 C ATOM 112 CG ASP A 229 -4.826 -13.491 -7.184 1.00 0.00 C ATOM 113 OD1 ASP A 229 -5.172 -14.169 -8.174 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.553 -13.319 -6.183 1.00 0.00 O ATOM 0 HA ASP A 229 -3.335 -12.987 -9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -2.882 -13.195 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -3.564 -11.765 -7.088 1.00 0.00 H new ATOM 119 N MET A 230 -1.613 -11.207 -9.473 1.00 0.00 N ATOM 120 CA MET A 230 -0.545 -10.237 -9.684 1.00 0.00 C ATOM 121 C MET A 230 -0.909 -8.886 -9.076 1.00 0.00 C ATOM 122 O MET A 230 -1.614 -8.077 -9.680 1.00 0.00 O ATOM 123 CB MET A 230 -0.260 -10.077 -11.179 1.00 0.00 C ATOM 124 CG MET A 230 0.394 -11.297 -11.807 1.00 0.00 C ATOM 125 SD MET A 230 0.141 -11.380 -13.590 1.00 0.00 S ATOM 126 CE MET A 230 -1.004 -12.753 -13.706 1.00 0.00 C ATOM 0 H MET A 230 -2.444 -11.049 -10.043 1.00 0.00 H new ATOM 0 HA MET A 230 0.352 -10.608 -9.188 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.195 -9.868 -11.699 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.386 -9.212 -11.327 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.463 -11.280 -11.596 1.00 0.00 H new ATOM 0 HG3 MET A 230 -0.008 -12.198 -11.345 1.00 0.00 H new ATOM 0 HE1 MET A 230 -1.613 -12.644 -14.603 1.00 0.00 H new ATOM 0 HE2 MET A 230 -0.447 -13.688 -13.758 1.00 0.00 H new ATOM 0 HE3 MET A 230 -1.650 -12.763 -12.828 1.00 0.00 H new ATOM 136 N PRO A 231 -0.419 -8.635 -7.853 1.00 0.00 N ATOM 137 CA PRO A 231 -0.681 -7.383 -7.138 1.00 0.00 C ATOM 138 C PRO A 231 0.030 -6.193 -7.773 1.00 0.00 C ATOM 139 O PRO A 231 1.242 -6.224 -7.991 1.00 0.00 O ATOM 140 CB PRO A 231 -0.124 -7.652 -5.737 1.00 0.00 C ATOM 141 CG PRO A 231 0.915 -8.700 -5.937 1.00 0.00 C ATOM 142 CD PRO A 231 0.428 -9.554 -7.075 1.00 0.00 C ATOM 0 HA PRO A 231 -1.739 -7.121 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.303 -6.749 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -0.906 -7.994 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.881 -8.252 -6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 231 1.049 -9.294 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.255 -9.939 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.136 -10.416 -6.718 1.00 0.00 H new ATOM 150 N HIS A 232 -0.731 -5.144 -8.069 1.00 0.00 N ATOM 151 CA HIS A 232 -0.173 -3.942 -8.680 1.00 0.00 C ATOM 152 C HIS A 232 1.078 -3.486 -7.936 1.00 0.00 C ATOM 153 O HIS A 232 1.014 -3.108 -6.766 1.00 0.00 O ATOM 154 CB HIS A 232 -1.212 -2.820 -8.689 1.00 0.00 C ATOM 155 CG HIS A 232 -2.430 -3.139 -9.501 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.404 -3.283 -10.872 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.715 -3.343 -9.127 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.621 -3.560 -11.307 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.434 -3.603 -10.267 1.00 0.00 N ATOM 0 H HIS A 232 -1.735 -5.102 -7.896 1.00 0.00 H new ATOM 0 HA HIS A 232 0.103 -4.180 -9.707 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.514 -2.607 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.752 -1.913 -9.080 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.102 -3.308 -8.119 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.902 -3.723 -12.337 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.434 -3.798 -10.305 1.00 0.00 H new ATOM 167 N ARG A 233 2.216 -3.525 -8.622 1.00 0.00 N ATOM 168 CA ARG A 233 3.482 -3.118 -8.025 1.00 0.00 C ATOM 169 C ARG A 233 3.563 -1.599 -7.905 1.00 0.00 C ATOM 170 O ARG A 233 4.433 -0.964 -8.501 1.00 0.00 O ATOM 171 CB ARG A 233 4.654 -3.637 -8.861 1.00 0.00 C ATOM 172 CG ARG A 233 4.880 -5.134 -8.729 1.00 0.00 C ATOM 173 CD ARG A 233 5.719 -5.674 -9.878 1.00 0.00 C ATOM 174 NE ARG A 233 6.690 -4.693 -10.355 1.00 0.00 N ATOM 175 CZ ARG A 233 7.448 -4.873 -11.430 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.348 -5.990 -12.137 1.00 0.00 N ATOM 177 NH2 ARG A 233 8.309 -3.933 -11.801 1.00 0.00 N ATOM 0 H ARG A 233 2.287 -3.834 -9.591 1.00 0.00 H new ATOM 0 HA ARG A 233 3.539 -3.548 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.477 -3.396 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.562 -3.113 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 233 5.378 -5.346 -7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.919 -5.648 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.242 -6.573 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.064 -5.965 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 233 6.791 -3.822 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.687 -6.714 -11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.932 -6.125 -12.962 1.00 0.00 H new ATOM 0 HH21 ARG A 233 8.388 -3.072 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.891 -4.072 -12.627 1.00 0.00 H new ATOM 191 N PHE A 234 2.649 -1.023 -7.130 1.00 0.00 N ATOM 192 CA PHE A 234 2.616 0.421 -6.932 1.00 0.00 C ATOM 193 C PHE A 234 3.979 0.941 -6.484 1.00 0.00 C ATOM 194 O PHE A 234 4.661 0.311 -5.675 1.00 0.00 O ATOM 195 CB PHE A 234 1.551 0.791 -5.897 1.00 0.00 C ATOM 196 CG PHE A 234 0.150 0.482 -6.342 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.356 1.027 -7.511 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.661 -0.354 -5.592 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.645 0.745 -7.922 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.951 -0.640 -5.998 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.443 -0.090 -7.165 1.00 0.00 C ATOM 0 H PHE A 234 1.922 -1.534 -6.629 1.00 0.00 H new ATOM 0 HA PHE A 234 2.365 0.887 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.756 0.256 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.627 1.855 -5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.264 1.680 -8.108 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.281 -0.788 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -2.028 1.177 -8.835 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.573 -1.293 -5.403 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.450 -0.312 -7.485 1.00 0.00 H new ATOM 211 N LYS A 235 4.370 2.094 -7.016 1.00 0.00 N ATOM 212 CA LYS A 235 5.650 2.700 -6.672 1.00 0.00 C ATOM 213 C LYS A 235 5.573 4.221 -6.760 1.00 0.00 C ATOM 214 O LYS A 235 5.162 4.774 -7.780 1.00 0.00 O ATOM 215 CB LYS A 235 6.750 2.180 -7.600 1.00 0.00 C ATOM 216 CG LYS A 235 7.419 0.912 -7.100 1.00 0.00 C ATOM 217 CD LYS A 235 8.597 1.223 -6.192 1.00 0.00 C ATOM 218 CE LYS A 235 8.143 1.521 -4.771 1.00 0.00 C ATOM 219 NZ LYS A 235 7.152 0.522 -4.285 1.00 0.00 N ATOM 0 H LYS A 235 3.818 2.628 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 235 5.890 2.425 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.323 1.991 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.506 2.955 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.692 0.305 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.760 0.320 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.285 0.378 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.146 2.078 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 235 9.008 1.528 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 235 7.703 2.518 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 7.033 0.623 -3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 6.239 0.681 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 7.491 -0.437 -4.502 1.00 0.00 H new ATOM 233 N VAL A 236 5.972 4.893 -5.684 1.00 0.00 N ATOM 234 CA VAL A 236 5.951 6.350 -5.641 1.00 0.00 C ATOM 235 C VAL A 236 6.733 6.946 -6.806 1.00 0.00 C ATOM 236 O VAL A 236 7.909 6.635 -7.002 1.00 0.00 O ATOM 237 CB VAL A 236 6.536 6.881 -4.319 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.730 8.388 -4.388 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.638 6.504 -3.150 1.00 0.00 C ATOM 0 H VAL A 236 6.314 4.451 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 236 4.907 6.654 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 236 7.511 6.420 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.144 8.745 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.416 8.630 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.769 8.871 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.066 6.887 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.648 6.936 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.555 5.419 -3.090 1.00 0.00 H new ATOM 249 N TYR A 237 6.074 7.803 -7.577 1.00 0.00 N ATOM 250 CA TYR A 237 6.707 8.442 -8.725 1.00 0.00 C ATOM 251 C TYR A 237 6.402 9.936 -8.754 1.00 0.00 C ATOM 252 O TYR A 237 5.276 10.356 -8.488 1.00 0.00 O ATOM 253 CB TYR A 237 6.234 7.788 -10.024 1.00 0.00 C ATOM 254 CG TYR A 237 7.196 7.965 -11.177 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.439 9.221 -11.718 1.00 0.00 C ATOM 256 CD2 TYR A 237 7.862 6.875 -11.725 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.317 9.388 -12.771 1.00 0.00 C ATOM 258 CE2 TYR A 237 8.743 7.033 -12.777 1.00 0.00 C ATOM 259 CZ TYR A 237 8.967 8.290 -13.297 1.00 0.00 C ATOM 260 OH TYR A 237 9.843 8.451 -14.347 1.00 0.00 O ATOM 0 H TYR A 237 5.101 8.072 -7.428 1.00 0.00 H new ATOM 0 HA TYR A 237 7.785 8.312 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.081 6.723 -9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.267 8.208 -10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 237 6.932 10.082 -11.308 1.00 0.00 H new ATOM 0 HD2 TYR A 237 7.688 5.888 -11.322 1.00 0.00 H new ATOM 0 HE1 TYR A 237 8.494 10.372 -13.180 1.00 0.00 H new ATOM 0 HE2 TYR A 237 9.254 6.176 -13.190 1.00 0.00 H new ATOM 0 HH TYR A 237 10.217 7.580 -14.598 1.00 0.00 H new ATOM 270 N ASN A 238 7.414 10.734 -9.079 1.00 0.00 N ATOM 271 CA ASN A 238 7.255 12.182 -9.144 1.00 0.00 C ATOM 272 C ASN A 238 7.087 12.648 -10.587 1.00 0.00 C ATOM 273 O ASN A 238 8.067 12.818 -11.313 1.00 0.00 O ATOM 274 CB ASN A 238 8.461 12.877 -8.509 1.00 0.00 C ATOM 275 CG ASN A 238 9.773 12.216 -8.885 1.00 0.00 C ATOM 276 OD1 ASN A 238 10.521 12.726 -9.720 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.058 11.074 -8.270 1.00 0.00 N ATOM 0 H ASN A 238 8.353 10.402 -9.301 1.00 0.00 H new ATOM 0 HA ASN A 238 6.356 12.449 -8.589 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.481 13.921 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.351 12.870 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.926 10.583 -8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.409 10.688 -7.585 1.00 0.00 H new ATOM 284 N TYR A 239 5.840 12.853 -10.995 1.00 0.00 N ATOM 285 CA TYR A 239 5.543 13.296 -12.352 1.00 0.00 C ATOM 286 C TYR A 239 4.701 14.569 -12.337 1.00 0.00 C ATOM 287 O TYR A 239 3.596 14.590 -11.794 1.00 0.00 O ATOM 288 CB TYR A 239 4.811 12.196 -13.122 1.00 0.00 C ATOM 289 CG TYR A 239 3.695 11.546 -12.336 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.973 10.708 -11.262 1.00 0.00 C ATOM 291 CD2 TYR A 239 2.364 11.768 -12.667 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.957 10.111 -10.541 1.00 0.00 C ATOM 293 CE2 TYR A 239 1.342 11.176 -11.951 1.00 0.00 C ATOM 294 CZ TYR A 239 1.643 10.349 -10.889 1.00 0.00 C ATOM 295 OH TYR A 239 0.628 9.756 -10.174 1.00 0.00 O ATOM 0 H TYR A 239 5.018 12.720 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 239 6.487 13.512 -12.851 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.400 12.618 -14.039 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.529 11.431 -13.417 1.00 0.00 H new ATOM 0 HD1 TYR A 239 5.000 10.521 -10.987 1.00 0.00 H new ATOM 0 HD2 TYR A 239 2.124 12.414 -13.498 1.00 0.00 H new ATOM 0 HE1 TYR A 239 3.190 9.462 -9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 239 0.313 11.360 -12.221 1.00 0.00 H new ATOM 0 HH TYR A 239 0.906 9.646 -9.241 1.00 0.00 H new ATOM 305 N LYS A 240 5.231 15.628 -12.938 1.00 0.00 N ATOM 306 CA LYS A 240 4.530 16.905 -12.997 1.00 0.00 C ATOM 307 C LYS A 240 3.533 16.926 -14.151 1.00 0.00 C ATOM 308 O LYS A 240 3.708 17.660 -15.123 1.00 0.00 O ATOM 309 CB LYS A 240 5.531 18.053 -13.153 1.00 0.00 C ATOM 310 CG LYS A 240 5.880 18.739 -11.844 1.00 0.00 C ATOM 311 CD LYS A 240 5.820 20.251 -11.973 1.00 0.00 C ATOM 312 CE LYS A 240 4.522 20.809 -11.409 1.00 0.00 C ATOM 313 NZ LYS A 240 3.341 20.376 -12.206 1.00 0.00 N ATOM 0 H LYS A 240 6.145 15.627 -13.392 1.00 0.00 H new ATOM 0 HA LYS A 240 3.981 17.033 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.444 17.668 -13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.120 18.791 -13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 240 5.190 18.412 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 240 6.880 18.439 -11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 240 6.666 20.696 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 240 5.912 20.531 -13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 240 4.404 20.481 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 240 4.571 21.898 -11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 2.476 20.776 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 3.442 20.711 -13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 3.280 19.338 -12.200 1.00 0.00 H new ATOM 327 N SER A 241 2.485 16.116 -14.035 1.00 0.00 N ATOM 328 CA SER A 241 1.460 16.039 -15.070 1.00 0.00 C ATOM 329 C SER A 241 0.075 15.881 -14.452 1.00 0.00 C ATOM 330 O SER A 241 -0.103 15.234 -13.420 1.00 0.00 O ATOM 331 CB SER A 241 1.746 14.870 -16.015 1.00 0.00 C ATOM 332 OG SER A 241 3.099 14.874 -16.437 1.00 0.00 O ATOM 0 H SER A 241 2.323 15.504 -13.235 1.00 0.00 H new ATOM 0 HA SER A 241 1.481 16.969 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.521 13.929 -15.513 1.00 0.00 H new ATOM 0 HB3 SER A 241 1.091 14.932 -16.884 1.00 0.00 H new ATOM 0 HG SER A 241 3.256 14.117 -17.039 1.00 0.00 H new ATOM 338 N PRO A 242 -0.933 16.488 -15.098 1.00 0.00 N ATOM 339 CA PRO A 242 -2.321 16.429 -14.631 1.00 0.00 C ATOM 340 C PRO A 242 -2.927 15.039 -14.787 1.00 0.00 C ATOM 341 O PRO A 242 -3.699 14.787 -15.714 1.00 0.00 O ATOM 342 CB PRO A 242 -3.042 17.432 -15.535 1.00 0.00 C ATOM 343 CG PRO A 242 -2.217 17.486 -16.774 1.00 0.00 C ATOM 344 CD PRO A 242 -0.794 17.276 -16.333 1.00 0.00 C ATOM 0 HA PRO A 242 -2.403 16.656 -13.568 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.060 17.109 -15.751 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.112 18.412 -15.063 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.524 16.716 -17.481 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.332 18.446 -17.278 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.214 16.743 -17.087 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.286 18.223 -16.151 1.00 0.00 H new ATOM 352 N THR A 243 -2.574 14.138 -13.876 1.00 0.00 N ATOM 353 CA THR A 243 -3.083 12.773 -13.913 1.00 0.00 C ATOM 354 C THR A 243 -4.305 12.617 -13.016 1.00 0.00 C ATOM 355 O THR A 243 -4.375 13.206 -11.937 1.00 0.00 O ATOM 356 CB THR A 243 -2.007 11.760 -13.476 1.00 0.00 C ATOM 357 OG1 THR A 243 -0.786 12.009 -14.181 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.468 10.334 -13.739 1.00 0.00 C ATOM 0 H THR A 243 -1.937 14.329 -13.103 1.00 0.00 H new ATOM 0 HA THR A 243 -3.366 12.569 -14.946 1.00 0.00 H new ATOM 0 HB THR A 243 -1.840 11.880 -12.406 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.229 11.202 -14.166 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.692 9.637 -13.423 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.382 10.138 -13.179 1.00 0.00 H new ATOM 0 HG23 THR A 243 -2.660 10.204 -14.804 1.00 0.00 H new ATOM 366 N PHE A 244 -5.268 11.819 -13.468 1.00 0.00 N ATOM 367 CA PHE A 244 -6.488 11.586 -12.705 1.00 0.00 C ATOM 368 C PHE A 244 -6.545 10.149 -12.195 1.00 0.00 C ATOM 369 O PHE A 244 -6.380 9.199 -12.961 1.00 0.00 O ATOM 370 CB PHE A 244 -7.718 11.882 -13.567 1.00 0.00 C ATOM 371 CG PHE A 244 -8.180 13.309 -13.482 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.462 14.321 -14.097 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.333 13.637 -12.786 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.885 15.635 -14.021 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.761 14.949 -12.707 1.00 0.00 C ATOM 376 CZ PHE A 244 -9.035 15.949 -13.324 1.00 0.00 C ATOM 0 H PHE A 244 -5.226 11.323 -14.359 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.484 12.258 -11.847 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.490 11.644 -14.606 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.533 11.226 -13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.561 14.081 -14.642 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.903 12.859 -12.300 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.317 16.415 -14.506 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -10.662 15.192 -12.163 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.366 16.975 -13.261 1.00 0.00 H new ATOM 386 N CYS A 245 -6.779 9.998 -10.896 1.00 0.00 N ATOM 387 CA CYS A 245 -6.856 8.678 -10.281 1.00 0.00 C ATOM 388 C CYS A 245 -7.739 7.745 -11.105 1.00 0.00 C ATOM 389 O CYS A 245 -8.781 8.152 -11.616 1.00 0.00 O ATOM 390 CB CYS A 245 -7.402 8.788 -8.856 1.00 0.00 C ATOM 391 SG CYS A 245 -7.110 7.309 -7.832 1.00 0.00 S ATOM 0 H CYS A 245 -6.919 10.774 -10.248 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.850 8.261 -10.246 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -6.946 9.650 -8.369 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.474 8.979 -8.903 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.906 7.668 -6.599 1.00 0.00 H new ATOM 396 N GLU A 246 -7.313 6.492 -11.228 1.00 0.00 N ATOM 397 CA GLU A 246 -8.064 5.502 -11.990 1.00 0.00 C ATOM 398 C GLU A 246 -9.018 4.728 -11.085 1.00 0.00 C ATOM 399 O GLU A 246 -9.701 3.804 -11.529 1.00 0.00 O ATOM 400 CB GLU A 246 -7.110 4.533 -12.691 1.00 0.00 C ATOM 401 CG GLU A 246 -6.453 5.116 -13.931 1.00 0.00 C ATOM 402 CD GLU A 246 -7.445 5.379 -15.048 1.00 0.00 C ATOM 403 OE1 GLU A 246 -8.497 4.707 -15.076 1.00 0.00 O ATOM 404 OE2 GLU A 246 -7.169 6.256 -15.893 1.00 0.00 O ATOM 0 H GLU A 246 -6.452 6.139 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.651 6.030 -12.742 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.334 4.228 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.659 3.634 -12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.952 6.048 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -5.684 4.430 -14.287 1.00 0.00 H new ATOM 411 N HIS A 247 -9.059 5.110 -9.813 1.00 0.00 N ATOM 412 CA HIS A 247 -9.928 4.453 -8.844 1.00 0.00 C ATOM 413 C HIS A 247 -11.057 5.382 -8.408 1.00 0.00 C ATOM 414 O HIS A 247 -12.211 5.198 -8.796 1.00 0.00 O ATOM 415 CB HIS A 247 -9.122 4.005 -7.624 1.00 0.00 C ATOM 416 CG HIS A 247 -9.944 3.307 -6.586 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.068 1.935 -6.521 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.686 3.798 -5.565 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.851 1.613 -5.507 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.239 2.726 -4.911 1.00 0.00 N ATOM 0 H HIS A 247 -8.500 5.872 -9.429 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.366 3.577 -9.323 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.323 3.339 -7.951 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.646 4.876 -7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.818 4.840 -5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.127 0.610 -5.215 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -11.851 2.780 -4.097 1.00 0.00 H new ATOM 428 N CYS A 248 -10.717 6.381 -7.600 1.00 0.00 N ATOM 429 CA CYS A 248 -11.701 7.338 -7.111 1.00 0.00 C ATOM 430 C CYS A 248 -12.083 8.332 -8.204 1.00 0.00 C ATOM 431 O CYS A 248 -13.212 8.820 -8.248 1.00 0.00 O ATOM 432 CB CYS A 248 -11.154 8.087 -5.894 1.00 0.00 C ATOM 433 SG CYS A 248 -9.811 9.255 -6.283 1.00 0.00 S ATOM 0 H CYS A 248 -9.766 6.548 -7.270 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.594 6.786 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.970 8.633 -5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.791 7.361 -5.167 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.777 8.598 -6.717 1.00 0.00 H new ATOM 438 N GLY A 249 -11.133 8.628 -9.086 1.00 0.00 N ATOM 439 CA GLY A 249 -11.390 9.561 -10.168 1.00 0.00 C ATOM 440 C GLY A 249 -11.418 11.001 -9.695 1.00 0.00 C ATOM 441 O GLY A 249 -12.379 11.728 -9.950 1.00 0.00 O ATOM 0 H GLY A 249 -10.190 8.239 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.621 9.447 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.344 9.317 -10.636 1.00 0.00 H new ATOM 445 N THR A 250 -10.361 11.416 -9.003 1.00 0.00 N ATOM 446 CA THR A 250 -10.270 12.778 -8.492 1.00 0.00 C ATOM 447 C THR A 250 -8.876 13.355 -8.711 1.00 0.00 C ATOM 448 O THR A 250 -7.871 12.712 -8.405 1.00 0.00 O ATOM 449 CB THR A 250 -10.607 12.838 -6.990 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.621 12.122 -6.238 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.984 12.250 -6.720 1.00 0.00 C ATOM 0 H THR A 250 -9.557 10.828 -8.784 1.00 0.00 H new ATOM 0 HA THR A 250 -10.998 13.372 -9.045 1.00 0.00 H new ATOM 0 HB THR A 250 -10.610 13.884 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.945 11.216 -6.053 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.200 12.303 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.736 12.816 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.005 11.209 -7.043 1.00 0.00 H new ATOM 459 N LEU A 251 -8.822 14.571 -9.243 1.00 0.00 N ATOM 460 CA LEU A 251 -7.550 15.237 -9.503 1.00 0.00 C ATOM 461 C LEU A 251 -6.520 14.879 -8.437 1.00 0.00 C ATOM 462 O LEU A 251 -6.768 15.038 -7.241 1.00 0.00 O ATOM 463 CB LEU A 251 -7.745 16.753 -9.551 1.00 0.00 C ATOM 464 CG LEU A 251 -6.803 17.522 -10.477 1.00 0.00 C ATOM 465 CD1 LEU A 251 -7.028 19.020 -10.344 1.00 0.00 C ATOM 466 CD2 LEU A 251 -5.353 17.171 -10.174 1.00 0.00 C ATOM 0 H LEU A 251 -9.644 15.116 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.180 14.894 -10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.771 16.958 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -7.630 17.146 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 251 -7.020 17.232 -11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -6.348 19.551 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -8.058 19.258 -10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -6.839 19.326 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -4.697 17.728 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.124 17.432 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.199 16.102 -10.321 1.00 0.00 H new ATOM 478 N LEU A 252 -5.363 14.396 -8.877 1.00 0.00 N ATOM 479 CA LEU A 252 -4.293 14.018 -7.961 1.00 0.00 C ATOM 480 C LEU A 252 -3.719 15.244 -7.258 1.00 0.00 C ATOM 481 O LEU A 252 -3.467 16.271 -7.888 1.00 0.00 O ATOM 482 CB LEU A 252 -3.185 13.282 -8.715 1.00 0.00 C ATOM 483 CG LEU A 252 -3.336 11.764 -8.819 1.00 0.00 C ATOM 484 CD1 LEU A 252 -4.548 11.405 -9.665 1.00 0.00 C ATOM 485 CD2 LEU A 252 -2.075 11.141 -9.398 1.00 0.00 C ATOM 0 H LEU A 252 -5.142 14.257 -9.863 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.713 13.353 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -3.126 13.691 -9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.235 13.500 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 252 -3.487 11.363 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -4.640 10.321 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -5.447 11.819 -9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -4.428 11.818 -10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -2.201 10.060 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -1.892 11.547 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -1.227 11.368 -8.752 1.00 0.00 H new ATOM 497 N TRP A 253 -3.513 15.128 -5.951 1.00 0.00 N ATOM 498 CA TRP A 253 -2.966 16.226 -5.163 1.00 0.00 C ATOM 499 C TRP A 253 -1.955 17.028 -5.976 1.00 0.00 C ATOM 500 O TRP A 253 -2.244 18.138 -6.422 1.00 0.00 O ATOM 501 CB TRP A 253 -2.307 15.690 -3.892 1.00 0.00 C ATOM 502 CG TRP A 253 -3.247 14.923 -3.013 1.00 0.00 C ATOM 503 CD1 TRP A 253 -3.625 13.618 -3.158 1.00 0.00 C ATOM 504 CD2 TRP A 253 -3.931 15.414 -1.854 1.00 0.00 C ATOM 505 NE1 TRP A 253 -4.502 13.269 -2.159 1.00 0.00 N ATOM 506 CE2 TRP A 253 -4.705 14.353 -1.346 1.00 0.00 C ATOM 507 CE3 TRP A 253 -3.962 16.646 -1.196 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -5.501 14.489 -0.212 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -4.753 16.780 -0.071 1.00 0.00 C ATOM 510 CH2 TRP A 253 -5.513 15.706 0.413 1.00 0.00 C ATOM 0 H TRP A 253 -3.717 14.285 -5.415 1.00 0.00 H new ATOM 0 HA TRP A 253 -3.788 16.887 -4.886 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -1.472 15.046 -4.168 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -1.892 16.525 -3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -3.285 12.958 -3.942 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -4.932 12.352 -2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -3.378 17.479 -1.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -6.088 13.663 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -4.786 17.729 0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -6.120 15.842 1.296 1.00 0.00 H new ATOM 521 N GLY A 254 -0.769 16.459 -6.164 1.00 0.00 N ATOM 522 CA GLY A 254 0.267 17.136 -6.923 1.00 0.00 C ATOM 523 C GLY A 254 1.510 17.402 -6.099 1.00 0.00 C ATOM 524 O GLY A 254 1.948 18.546 -5.973 1.00 0.00 O ATOM 0 H GLY A 254 -0.506 15.541 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.532 16.531 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -0.123 18.081 -7.302 1.00 0.00 H new ATOM 528 N LEU A 255 2.081 16.344 -5.533 1.00 0.00 N ATOM 529 CA LEU A 255 3.281 16.469 -4.714 1.00 0.00 C ATOM 530 C LEU A 255 4.350 15.476 -5.159 1.00 0.00 C ATOM 531 O LEU A 255 4.070 14.542 -5.910 1.00 0.00 O ATOM 532 CB LEU A 255 2.942 16.242 -3.239 1.00 0.00 C ATOM 533 CG LEU A 255 2.368 17.446 -2.490 1.00 0.00 C ATOM 534 CD1 LEU A 255 0.853 17.483 -2.621 1.00 0.00 C ATOM 535 CD2 LEU A 255 2.778 17.407 -1.025 1.00 0.00 C ATOM 0 H LEU A 255 1.732 15.390 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 255 3.673 17.478 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 255 2.226 15.423 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 255 3.846 15.917 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 255 2.773 18.354 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 255 0.462 18.346 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 255 0.581 17.559 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 255 0.429 16.571 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 255 2.361 18.271 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 255 2.402 16.493 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 255 3.865 17.430 -0.951 1.00 0.00 H new ATOM 547 N ALA A 256 5.576 15.684 -4.690 1.00 0.00 N ATOM 548 CA ALA A 256 6.686 14.805 -5.037 1.00 0.00 C ATOM 549 C ALA A 256 6.256 13.342 -5.014 1.00 0.00 C ATOM 550 O ALA A 256 6.841 12.503 -5.698 1.00 0.00 O ATOM 551 CB ALA A 256 7.853 15.030 -4.087 1.00 0.00 C ATOM 0 H ALA A 256 5.826 16.454 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 256 7.005 15.046 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.675 14.367 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.184 16.066 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.537 14.818 -3.066 1.00 0.00 H new ATOM 557 N ARG A 257 5.231 13.044 -4.222 1.00 0.00 N ATOM 558 CA ARG A 257 4.724 11.682 -4.108 1.00 0.00 C ATOM 559 C ARG A 257 3.468 11.497 -4.954 1.00 0.00 C ATOM 560 O ARG A 257 2.558 10.759 -4.577 1.00 0.00 O ATOM 561 CB ARG A 257 4.422 11.348 -2.647 1.00 0.00 C ATOM 562 CG ARG A 257 4.580 9.873 -2.314 1.00 0.00 C ATOM 563 CD ARG A 257 4.364 9.610 -0.832 1.00 0.00 C ATOM 564 NE ARG A 257 3.245 10.381 -0.296 1.00 0.00 N ATOM 565 CZ ARG A 257 3.112 10.688 0.989 1.00 0.00 C ATOM 566 NH1 ARG A 257 4.024 10.293 1.866 1.00 0.00 N ATOM 567 NH2 ARG A 257 2.065 11.393 1.399 1.00 0.00 N ATOM 0 H ARG A 257 4.735 13.728 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 257 5.493 11.003 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 257 5.084 11.930 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 257 3.403 11.657 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 257 3.867 9.289 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 257 5.576 9.538 -2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 257 4.180 8.547 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 257 5.272 9.860 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 257 2.526 10.701 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 257 4.830 9.752 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 257 3.919 10.530 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 257 1.362 11.699 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 257 1.964 11.628 2.386 1.00 0.00 H new ATOM 581 N GLN A 258 3.426 12.172 -6.098 1.00 0.00 N ATOM 582 CA GLN A 258 2.281 12.083 -6.996 1.00 0.00 C ATOM 583 C GLN A 258 1.699 10.673 -6.998 1.00 0.00 C ATOM 584 O GLN A 258 2.155 9.804 -7.740 1.00 0.00 O ATOM 585 CB GLN A 258 2.687 12.481 -8.416 1.00 0.00 C ATOM 586 CG GLN A 258 2.534 13.967 -8.698 1.00 0.00 C ATOM 587 CD GLN A 258 1.101 14.359 -9.002 1.00 0.00 C ATOM 588 OE1 GLN A 258 0.176 13.982 -8.282 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.910 15.121 -10.072 1.00 0.00 N ATOM 0 H GLN A 258 4.172 12.786 -6.425 1.00 0.00 H new ATOM 0 HA GLN A 258 1.516 12.772 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.725 12.193 -8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 258 2.082 11.920 -9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 258 2.887 14.535 -7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 258 3.168 14.240 -9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.706 15.410 -10.641 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -0.033 15.417 -10.326 1.00 0.00 H new ATOM 598 N GLY A 259 0.690 10.453 -6.161 1.00 0.00 N ATOM 599 CA GLY A 259 0.063 9.147 -6.081 1.00 0.00 C ATOM 600 C GLY A 259 1.051 8.016 -6.285 1.00 0.00 C ATOM 601 O GLY A 259 2.226 8.137 -5.934 1.00 0.00 O ATOM 0 H GLY A 259 0.295 11.156 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.416 9.036 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.723 9.078 -6.833 1.00 0.00 H new ATOM 605 N LEU A 260 0.577 6.912 -6.852 1.00 0.00 N ATOM 606 CA LEU A 260 1.427 5.753 -7.101 1.00 0.00 C ATOM 607 C LEU A 260 1.255 5.248 -8.529 1.00 0.00 C ATOM 608 O LEU A 260 0.148 5.244 -9.069 1.00 0.00 O ATOM 609 CB LEU A 260 1.101 4.635 -6.109 1.00 0.00 C ATOM 610 CG LEU A 260 1.561 4.860 -4.668 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.625 4.162 -3.694 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.990 4.370 -4.482 1.00 0.00 C ATOM 0 H LEU A 260 -0.392 6.795 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 260 2.465 6.059 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.022 4.484 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 260 1.551 3.711 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 260 1.535 5.930 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.968 4.333 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.383 4.560 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 260 0.618 3.092 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.301 4.538 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.042 3.305 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.652 4.916 -5.154 1.00 0.00 H new ATOM 624 N LYS A 261 2.357 4.820 -9.137 1.00 0.00 N ATOM 625 CA LYS A 261 2.329 4.309 -10.502 1.00 0.00 C ATOM 626 C LYS A 261 2.799 2.859 -10.550 1.00 0.00 C ATOM 627 O LYS A 261 3.993 2.579 -10.440 1.00 0.00 O ATOM 628 CB LYS A 261 3.208 5.172 -11.410 1.00 0.00 C ATOM 629 CG LYS A 261 2.925 4.982 -12.890 1.00 0.00 C ATOM 630 CD LYS A 261 3.610 3.739 -13.434 1.00 0.00 C ATOM 631 CE LYS A 261 3.724 3.783 -14.950 1.00 0.00 C ATOM 632 NZ LYS A 261 4.888 4.600 -15.394 1.00 0.00 N ATOM 0 H LYS A 261 3.281 4.817 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 261 1.299 4.350 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.062 6.221 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.255 4.939 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 261 1.849 4.905 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.266 5.858 -13.442 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.604 3.649 -12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 261 3.049 2.853 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 261 3.823 2.769 -15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 261 2.808 4.196 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.932 4.606 -16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 4.781 5.574 -15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.765 4.191 -15.013 1.00 0.00 H new ATOM 646 N CYS A 262 1.853 1.940 -10.715 1.00 0.00 N ATOM 647 CA CYS A 262 2.170 0.518 -10.778 1.00 0.00 C ATOM 648 C CYS A 262 3.328 0.261 -11.739 1.00 0.00 C ATOM 649 O CYS A 262 3.232 0.547 -12.933 1.00 0.00 O ATOM 650 CB CYS A 262 0.942 -0.281 -11.218 1.00 0.00 C ATOM 651 SG CYS A 262 1.078 -2.074 -10.928 1.00 0.00 S ATOM 0 H CYS A 262 0.860 2.155 -10.808 1.00 0.00 H new ATOM 0 HA CYS A 262 2.468 0.194 -9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.067 0.097 -10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.771 -0.108 -12.280 1.00 0.00 H new ATOM 0 HG CYS A 262 2.324 -2.389 -10.734 1.00 0.00 H new ATOM 656 N ASP A 263 4.420 -0.279 -11.210 1.00 0.00 N ATOM 657 CA ASP A 263 5.595 -0.576 -12.020 1.00 0.00 C ATOM 658 C ASP A 263 5.362 -1.812 -12.884 1.00 0.00 C ATOM 659 O ASP A 263 6.266 -2.274 -13.580 1.00 0.00 O ATOM 660 CB ASP A 263 6.817 -0.788 -11.125 1.00 0.00 C ATOM 661 CG ASP A 263 7.510 0.514 -10.773 1.00 0.00 C ATOM 662 OD1 ASP A 263 6.827 1.559 -10.736 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.735 0.488 -10.534 1.00 0.00 O ATOM 0 H ASP A 263 4.516 -0.520 -10.224 1.00 0.00 H new ATOM 0 HA ASP A 263 5.778 0.275 -12.676 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.510 -1.292 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.523 -1.447 -11.630 1.00 0.00 H new ATOM 668 N ALA A 264 4.145 -2.342 -12.833 1.00 0.00 N ATOM 669 CA ALA A 264 3.792 -3.523 -13.611 1.00 0.00 C ATOM 670 C ALA A 264 2.967 -3.146 -14.837 1.00 0.00 C ATOM 671 O ALA A 264 3.466 -3.161 -15.962 1.00 0.00 O ATOM 672 CB ALA A 264 3.033 -4.518 -12.746 1.00 0.00 C ATOM 0 H ALA A 264 3.386 -1.972 -12.261 1.00 0.00 H new ATOM 0 HA ALA A 264 4.715 -3.990 -13.956 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.776 -5.395 -13.340 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.658 -4.820 -11.905 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.121 -4.053 -12.372 1.00 0.00 H new ATOM 678 N CYS A 265 1.701 -2.810 -14.612 1.00 0.00 N ATOM 679 CA CYS A 265 0.806 -2.431 -15.698 1.00 0.00 C ATOM 680 C CYS A 265 1.027 -0.976 -16.102 1.00 0.00 C ATOM 681 O CYS A 265 1.117 -0.657 -17.287 1.00 0.00 O ATOM 682 CB CYS A 265 -0.652 -2.640 -15.282 1.00 0.00 C ATOM 683 SG CYS A 265 -1.155 -1.671 -13.824 1.00 0.00 S ATOM 0 H CYS A 265 1.272 -2.793 -13.687 1.00 0.00 H new ATOM 0 HA CYS A 265 1.027 -3.066 -16.556 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.299 -2.379 -16.120 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.811 -3.698 -15.074 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.363 -1.941 -12.829 1.00 0.00 H new ATOM 688 N GLY A 266 1.113 -0.098 -15.108 1.00 0.00 N ATOM 689 CA GLY A 266 1.323 1.312 -15.380 1.00 0.00 C ATOM 690 C GLY A 266 0.094 2.149 -15.083 1.00 0.00 C ATOM 691 O GLY A 266 -0.285 3.010 -15.876 1.00 0.00 O ATOM 0 H GLY A 266 1.041 -0.338 -14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.159 1.674 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.602 1.440 -16.426 1.00 0.00 H new ATOM 695 N MET A 267 -0.530 1.895 -13.937 1.00 0.00 N ATOM 696 CA MET A 267 -1.723 2.632 -13.538 1.00 0.00 C ATOM 697 C MET A 267 -1.397 3.644 -12.444 1.00 0.00 C ATOM 698 O MET A 267 -0.548 3.395 -11.589 1.00 0.00 O ATOM 699 CB MET A 267 -2.805 1.666 -13.049 1.00 0.00 C ATOM 700 CG MET A 267 -4.208 2.248 -13.104 1.00 0.00 C ATOM 701 SD MET A 267 -5.479 0.981 -13.281 1.00 0.00 S ATOM 702 CE MET A 267 -4.996 -0.165 -11.992 1.00 0.00 C ATOM 0 H MET A 267 -0.229 1.185 -13.269 1.00 0.00 H new ATOM 0 HA MET A 267 -2.094 3.172 -14.409 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.772 0.760 -13.654 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.582 1.372 -12.023 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.395 2.821 -12.196 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.276 2.944 -13.940 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.822 -0.844 -11.781 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.129 -0.739 -12.321 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.742 0.389 -11.089 1.00 0.00 H new ATOM 712 N ASN A 268 -2.076 4.785 -12.478 1.00 0.00 N ATOM 713 CA ASN A 268 -1.857 5.835 -11.490 1.00 0.00 C ATOM 714 C ASN A 268 -3.015 5.899 -10.498 1.00 0.00 C ATOM 715 O ASN A 268 -4.150 6.195 -10.871 1.00 0.00 O ATOM 716 CB ASN A 268 -1.689 7.189 -12.182 1.00 0.00 C ATOM 717 CG ASN A 268 -0.784 7.109 -13.396 1.00 0.00 C ATOM 718 OD1 ASN A 268 -1.202 6.672 -14.468 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.464 7.532 -13.233 1.00 0.00 N ATOM 0 H ASN A 268 -2.783 5.007 -13.179 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.945 5.599 -10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.667 7.563 -12.485 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.279 7.908 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 268 1.119 7.502 -14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.768 7.887 -12.326 1.00 0.00 H new ATOM 726 N VAL A 269 -2.719 5.619 -9.233 1.00 0.00 N ATOM 727 CA VAL A 269 -3.734 5.646 -8.186 1.00 0.00 C ATOM 728 C VAL A 269 -3.187 6.267 -6.906 1.00 0.00 C ATOM 729 O VAL A 269 -1.995 6.168 -6.615 1.00 0.00 O ATOM 730 CB VAL A 269 -4.257 4.231 -7.875 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.274 3.796 -8.918 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.103 3.242 -7.798 1.00 0.00 C ATOM 0 H VAL A 269 -1.785 5.371 -8.908 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.557 6.256 -8.559 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.754 4.251 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.632 2.794 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -6.114 4.491 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.806 3.791 -9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.490 2.247 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.576 3.223 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.415 3.546 -7.009 1.00 0.00 H new ATOM 742 N HIS A 270 -4.067 6.908 -6.143 1.00 0.00 N ATOM 743 CA HIS A 270 -3.672 7.545 -4.892 1.00 0.00 C ATOM 744 C HIS A 270 -2.975 6.549 -3.971 1.00 0.00 C ATOM 745 O HIS A 270 -2.725 5.405 -4.353 1.00 0.00 O ATOM 746 CB HIS A 270 -4.895 8.138 -4.189 1.00 0.00 C ATOM 747 CG HIS A 270 -5.281 9.492 -4.700 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.457 9.732 -5.380 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.641 10.682 -4.626 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.522 11.011 -5.703 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.433 11.610 -5.256 1.00 0.00 N ATOM 0 H HIS A 270 -5.057 7.000 -6.369 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.972 8.347 -5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.739 7.459 -4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.692 8.206 -3.120 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.685 10.867 -4.158 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.329 11.486 -6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -5.216 12.601 -5.362 1.00 0.00 H new ATOM 759 N HIS A 271 -2.662 6.991 -2.757 1.00 0.00 N ATOM 760 CA HIS A 271 -1.993 6.137 -1.781 1.00 0.00 C ATOM 761 C HIS A 271 -2.998 5.239 -1.066 1.00 0.00 C ATOM 762 O HIS A 271 -2.688 4.100 -0.718 1.00 0.00 O ATOM 763 CB HIS A 271 -1.236 6.989 -0.762 1.00 0.00 C ATOM 764 CG HIS A 271 0.030 7.582 -1.299 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.388 7.514 -2.628 1.00 0.00 N ATOM 766 CD2 HIS A 271 1.023 8.259 -0.677 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.548 8.122 -2.801 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.955 8.583 -1.633 1.00 0.00 N ATOM 0 H HIS A 271 -2.861 7.935 -2.425 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.283 5.504 -2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.887 7.793 -0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.000 6.376 0.108 1.00 0.00 H new ATOM 0 HD1 HIS A 271 -0.158 7.064 -3.363 1.00 0.00 H new ATOM 0 HD2 HIS A 271 1.073 8.500 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.074 8.224 -3.739 1.00 0.00 H new ATOM 776 N ARG A 272 -4.201 5.760 -0.850 1.00 0.00 N ATOM 777 CA ARG A 272 -5.250 5.005 -0.174 1.00 0.00 C ATOM 778 C ARG A 272 -6.146 4.296 -1.185 1.00 0.00 C ATOM 779 O ARG A 272 -6.765 3.277 -0.875 1.00 0.00 O ATOM 780 CB ARG A 272 -6.090 5.934 0.705 1.00 0.00 C ATOM 781 CG ARG A 272 -7.429 5.340 1.112 1.00 0.00 C ATOM 782 CD ARG A 272 -8.321 6.380 1.772 1.00 0.00 C ATOM 783 NE ARG A 272 -8.627 7.489 0.872 1.00 0.00 N ATOM 784 CZ ARG A 272 -9.687 8.277 1.011 1.00 0.00 C ATOM 785 NH1 ARG A 272 -10.538 8.079 2.008 1.00 0.00 N ATOM 786 NH2 ARG A 272 -9.897 9.267 0.152 1.00 0.00 N ATOM 0 H ARG A 272 -4.474 6.701 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.774 4.252 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.524 6.181 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.264 6.868 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.930 4.934 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -7.266 4.510 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -9.249 5.909 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -7.830 6.764 2.666 1.00 0.00 H new ATOM 0 HE ARG A 272 -7.992 7.668 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -10.379 7.320 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -11.351 8.686 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -9.244 9.423 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -10.711 9.872 0.260 1.00 0.00 H new ATOM 800 N CYS A 273 -6.212 4.841 -2.395 1.00 0.00 N ATOM 801 CA CYS A 273 -7.032 4.261 -3.452 1.00 0.00 C ATOM 802 C CYS A 273 -6.419 2.962 -3.966 1.00 0.00 C ATOM 803 O CYS A 273 -7.124 2.092 -4.477 1.00 0.00 O ATOM 804 CB CYS A 273 -7.192 5.254 -4.605 1.00 0.00 C ATOM 805 SG CYS A 273 -8.217 6.705 -4.200 1.00 0.00 S ATOM 0 H CYS A 273 -5.707 5.684 -2.668 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.014 4.038 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.205 5.595 -4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.634 4.737 -5.457 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.536 7.330 -5.294 1.00 0.00 H new ATOM 810 N GLN A 274 -5.103 2.839 -3.827 1.00 0.00 N ATOM 811 CA GLN A 274 -4.396 1.647 -4.277 1.00 0.00 C ATOM 812 C GLN A 274 -4.856 0.416 -3.504 1.00 0.00 C ATOM 813 O GLN A 274 -4.989 -0.671 -4.068 1.00 0.00 O ATOM 814 CB GLN A 274 -2.886 1.831 -4.113 1.00 0.00 C ATOM 815 CG GLN A 274 -2.491 2.470 -2.792 1.00 0.00 C ATOM 816 CD GLN A 274 -1.116 2.038 -2.323 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.593 1.011 -2.757 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.520 2.822 -1.432 1.00 0.00 N ATOM 0 H GLN A 274 -4.505 3.550 -3.406 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.625 1.497 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.399 0.860 -4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.512 2.447 -4.931 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.511 3.555 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -3.228 2.210 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.989 3.664 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.407 2.582 -1.081 1.00 0.00 H new ATOM 827 N THR A 275 -5.099 0.592 -2.209 1.00 0.00 N ATOM 828 CA THR A 275 -5.543 -0.504 -1.358 1.00 0.00 C ATOM 829 C THR A 275 -7.006 -0.844 -1.618 1.00 0.00 C ATOM 830 O THR A 275 -7.538 -1.808 -1.068 1.00 0.00 O ATOM 831 CB THR A 275 -5.364 -0.165 0.134 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.361 0.777 0.545 1.00 0.00 O ATOM 833 CG2 THR A 275 -3.979 0.407 0.397 1.00 0.00 C ATOM 0 H THR A 275 -4.995 1.485 -1.726 1.00 0.00 H new ATOM 0 HA THR A 275 -4.923 -1.366 -1.604 1.00 0.00 H new ATOM 0 HB THR A 275 -5.475 -1.085 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.355 1.546 -0.063 1.00 0.00 H new ATOM 0 HG21 THR A 275 -3.876 0.639 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.223 -0.324 0.110 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.844 1.317 -0.188 1.00 0.00 H new ATOM 841 N LYS A 276 -7.653 -0.047 -2.462 1.00 0.00 N ATOM 842 CA LYS A 276 -9.055 -0.265 -2.798 1.00 0.00 C ATOM 843 C LYS A 276 -9.188 -1.004 -4.126 1.00 0.00 C ATOM 844 O LYS A 276 -10.274 -1.453 -4.492 1.00 0.00 O ATOM 845 CB LYS A 276 -9.796 1.072 -2.870 1.00 0.00 C ATOM 846 CG LYS A 276 -9.733 1.872 -1.581 1.00 0.00 C ATOM 847 CD LYS A 276 -10.792 2.962 -1.549 1.00 0.00 C ATOM 848 CE LYS A 276 -10.717 3.774 -0.265 1.00 0.00 C ATOM 849 NZ LYS A 276 -10.493 2.910 0.926 1.00 0.00 N ATOM 0 H LYS A 276 -7.228 0.756 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.500 -0.879 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.374 1.668 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.840 0.886 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.871 1.205 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.745 2.320 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.662 3.622 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.781 2.513 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -9.909 4.502 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -11.642 4.336 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -10.715 3.445 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -11.109 2.074 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -9.499 2.607 0.953 1.00 0.00 H new ATOM 863 N VAL A 277 -8.075 -1.128 -4.843 1.00 0.00 N ATOM 864 CA VAL A 277 -8.067 -1.816 -6.129 1.00 0.00 C ATOM 865 C VAL A 277 -7.938 -3.324 -5.945 1.00 0.00 C ATOM 866 O VAL A 277 -7.595 -3.800 -4.864 1.00 0.00 O ATOM 867 CB VAL A 277 -6.917 -1.318 -7.024 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.270 -1.491 -8.493 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.590 0.135 -6.713 1.00 0.00 C ATOM 0 H VAL A 277 -7.168 -0.761 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.017 -1.593 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.032 -1.918 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.445 -1.134 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.449 -2.546 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.169 -0.918 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.775 0.470 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.470 0.752 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.290 0.225 -5.669 1.00 0.00 H new ATOM 879 N ALA A 278 -8.215 -4.070 -7.010 1.00 0.00 N ATOM 880 CA ALA A 278 -8.128 -5.524 -6.967 1.00 0.00 C ATOM 881 C ALA A 278 -6.721 -6.000 -7.314 1.00 0.00 C ATOM 882 O ALA A 278 -5.966 -5.297 -7.985 1.00 0.00 O ATOM 883 CB ALA A 278 -9.145 -6.142 -7.915 1.00 0.00 C ATOM 0 H ALA A 278 -8.501 -3.691 -7.913 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.352 -5.847 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.069 -7.228 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.149 -5.837 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.947 -5.804 -8.932 1.00 0.00 H new ATOM 889 N ASN A 279 -6.376 -7.197 -6.851 1.00 0.00 N ATOM 890 CA ASN A 279 -5.058 -7.766 -7.112 1.00 0.00 C ATOM 891 C ASN A 279 -5.030 -8.476 -8.462 1.00 0.00 C ATOM 892 O ASN A 279 -4.708 -9.662 -8.546 1.00 0.00 O ATOM 893 CB ASN A 279 -4.673 -8.744 -6.001 1.00 0.00 C ATOM 894 CG ASN A 279 -5.744 -9.789 -5.753 1.00 0.00 C ATOM 895 OD1 ASN A 279 -6.425 -10.228 -6.681 1.00 0.00 O ATOM 896 ND2 ASN A 279 -5.898 -10.193 -4.498 1.00 0.00 N ATOM 0 H ASN A 279 -6.990 -7.791 -6.294 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.335 -6.950 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -3.739 -9.240 -6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.490 -8.190 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -6.603 -10.894 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -5.311 -9.802 -3.761 1.00 0.00 H new ATOM 903 N LEU A 280 -5.369 -7.743 -9.517 1.00 0.00 N ATOM 904 CA LEU A 280 -5.382 -8.302 -10.865 1.00 0.00 C ATOM 905 C LEU A 280 -4.638 -7.393 -11.838 1.00 0.00 C ATOM 906 O LEU A 280 -5.251 -6.613 -12.568 1.00 0.00 O ATOM 907 CB LEU A 280 -6.822 -8.507 -11.339 1.00 0.00 C ATOM 908 CG LEU A 280 -7.680 -9.448 -10.493 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.031 -9.677 -11.153 1.00 0.00 C ATOM 910 CD2 LEU A 280 -6.961 -10.771 -10.272 1.00 0.00 C ATOM 0 H LEU A 280 -5.638 -6.761 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.875 -9.266 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.313 -7.535 -11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.796 -8.890 -12.359 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.848 -8.982 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.628 -10.349 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.550 -8.725 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -8.884 -10.122 -12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -7.586 -11.428 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.763 -11.242 -11.235 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -6.018 -10.591 -9.755 1.00 0.00 H new ATOM 922 N CYS A 281 -3.314 -7.500 -11.845 1.00 0.00 N ATOM 923 CA CYS A 281 -2.485 -6.690 -12.730 1.00 0.00 C ATOM 924 C CYS A 281 -2.242 -7.407 -14.055 1.00 0.00 C ATOM 925 O CYS A 281 -1.543 -8.418 -14.106 1.00 0.00 O ATOM 926 CB CYS A 281 -1.148 -6.368 -12.058 1.00 0.00 C ATOM 927 SG CYS A 281 -0.176 -5.088 -12.914 1.00 0.00 S ATOM 0 H CYS A 281 -2.791 -8.140 -11.247 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.015 -5.759 -12.933 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.337 -6.042 -11.035 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.555 -7.280 -11.998 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.863 -3.986 -12.970 1.00 0.00 H new ATOM 932 N GLY A 282 -2.824 -6.875 -15.125 1.00 0.00 N ATOM 933 CA GLY A 282 -2.659 -7.476 -16.435 1.00 0.00 C ATOM 934 C GLY A 282 -3.805 -8.399 -16.798 1.00 0.00 C ATOM 935 O GLY A 282 -4.093 -8.608 -17.977 1.00 0.00 O ATOM 0 H GLY A 282 -3.407 -6.038 -15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.579 -6.689 -17.185 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.724 -8.036 -16.459 1.00 0.00 H new ATOM 939 N ILE A 283 -4.460 -8.954 -15.784 1.00 0.00 N ATOM 940 CA ILE A 283 -5.580 -9.861 -16.003 1.00 0.00 C ATOM 941 C ILE A 283 -6.541 -9.305 -17.049 1.00 0.00 C ATOM 942 O ILE A 283 -7.218 -10.058 -17.747 1.00 0.00 O ATOM 943 CB ILE A 283 -6.355 -10.123 -14.698 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.432 -10.745 -13.648 1.00 0.00 C ATOM 945 CG2 ILE A 283 -7.549 -11.028 -14.964 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.441 -11.732 -14.222 1.00 0.00 C ATOM 0 H ILE A 283 -4.234 -8.792 -14.803 1.00 0.00 H new ATOM 0 HA ILE A 283 -5.160 -10.801 -16.362 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.723 -9.172 -14.314 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.887 -9.950 -13.139 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -6.039 -11.248 -12.895 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -8.087 -11.204 -14.032 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -8.215 -10.550 -15.683 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -7.202 -11.979 -15.368 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.820 -12.132 -13.420 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.978 -12.547 -14.706 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.809 -11.229 -14.954 1.00 0.00 H new ATOM 958 N ASN A 284 -6.593 -7.981 -17.152 1.00 0.00 N ATOM 959 CA ASN A 284 -7.470 -7.323 -18.113 1.00 0.00 C ATOM 960 C ASN A 284 -7.047 -7.645 -19.544 1.00 0.00 C ATOM 961 O ASN A 284 -7.862 -7.610 -20.465 1.00 0.00 O ATOM 962 CB ASN A 284 -7.457 -5.809 -17.895 1.00 0.00 C ATOM 963 CG ASN A 284 -8.572 -5.106 -18.644 1.00 0.00 C ATOM 964 OD1 ASN A 284 -8.327 -4.192 -19.432 1.00 0.00 O ATOM 965 ND2 ASN A 284 -9.807 -5.532 -18.402 1.00 0.00 N ATOM 0 H ASN A 284 -6.038 -7.343 -16.582 1.00 0.00 H new ATOM 0 HA ASN A 284 -8.482 -7.697 -17.958 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.549 -5.598 -16.830 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -6.497 -5.407 -18.218 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -10.598 -5.098 -18.877 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.964 -6.293 -17.741 1.00 0.00 H new