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 245 CYS SG : rot -10:sc= -0.606 USER MOD Set 1.2: A 247 HIS : no HD1:sc= -6.71! C(o=-11!,f=-13!) USER MOD Set 1.3: A 248 CYS SG : rot -69:sc= 1.73 USER MOD Set 1.4: A 250 THR OG1 : rot 89:sc= 1.01 USER MOD Set 1.5: A 270 HIS : no HE2:sc= -5.27! C(o=-11!,f=-12!) USER MOD Set 1.6: A 273 CYS SG : rot -165:sc= -1.15 USER MOD Set 2.1: A 239 TYR OH : rot -21:sc= -2.82! USER MOD Set 2.2: A 258 GLN : amide:sc= -2.52 K(o=-5.3,f=-5.9!) USER MOD Set 3.1: A 232 HIS : no HE2:sc= -0.668 X(o=-8,f=-7.7) USER MOD Set 3.2: A 262 CYS SG : rot -37:sc= -3.96! USER MOD Set 3.3: A 265 CYS SG : rot -57:sc= 0.441 USER MOD Set 3.4: A 281 CYS SG : rot 38:sc= -3.78! USER MOD Single : A 230 MET CE :methyl -173:sc= 0 (180deg=-0.0892) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.4!) 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= 0 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl 163:sc= -0.11 (180deg=-0.696) USER MOD Single : A 268 ASN : amide:sc= -0.829 K(o=-0.83,f=-3.7!) USER MOD Single : A 271 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 274 GLN : amide:sc= -2.89 K(o=-2.9,f=-4!) USER MOD Single : A 275 THR OG1 : rot 180:sc= 0 USER MOD Single : A 276 LYS NZ :NH3+ -157:sc= -0.505 (180deg=-1.53!) USER MOD Single : A 279 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.46) USER MOD Single : A 284 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -4.173 -14.402 -9.774 1.00 0.00 N ATOM 108 CA ASP A 229 -4.251 -12.961 -9.561 1.00 0.00 C ATOM 109 C ASP A 229 -2.953 -12.430 -8.961 1.00 0.00 C ATOM 110 O ASP A 229 -2.350 -13.066 -8.098 1.00 0.00 O ATOM 111 CB ASP A 229 -5.427 -12.623 -8.644 1.00 0.00 C ATOM 112 CG ASP A 229 -5.076 -12.763 -7.176 1.00 0.00 C ATOM 113 OD1 ASP A 229 -4.342 -11.898 -6.657 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.536 -13.740 -6.547 1.00 0.00 O ATOM 0 HA ASP A 229 -4.406 -12.483 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -5.755 -11.602 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -6.266 -13.278 -8.878 1.00 0.00 H new ATOM 119 N MET A 230 -2.528 -11.259 -9.426 1.00 0.00 N ATOM 120 CA MET A 230 -1.301 -10.642 -8.935 1.00 0.00 C ATOM 121 C MET A 230 -1.552 -9.199 -8.509 1.00 0.00 C ATOM 122 O MET A 230 -2.339 -8.474 -9.118 1.00 0.00 O ATOM 123 CB MET A 230 -0.216 -10.687 -10.012 1.00 0.00 C ATOM 124 CG MET A 230 0.640 -11.942 -9.960 1.00 0.00 C ATOM 125 SD MET A 230 2.134 -11.807 -10.961 1.00 0.00 S ATOM 126 CE MET A 230 1.431 -11.707 -12.605 1.00 0.00 C ATOM 0 H MET A 230 -3.015 -10.719 -10.141 1.00 0.00 H new ATOM 0 HA MET A 230 -0.963 -11.206 -8.066 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.686 -10.618 -10.993 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.427 -9.814 -9.905 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.918 -12.145 -8.926 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.052 -12.793 -10.305 1.00 0.00 H new ATOM 0 HE1 MET A 230 2.230 -11.745 -13.345 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.751 -12.545 -12.762 1.00 0.00 H new ATOM 0 HE3 MET A 230 0.883 -10.771 -12.710 1.00 0.00 H new ATOM 136 N PRO A 231 -0.867 -8.770 -7.438 1.00 0.00 N ATOM 137 CA PRO A 231 -0.999 -7.409 -6.908 1.00 0.00 C ATOM 138 C PRO A 231 -0.393 -6.363 -7.837 1.00 0.00 C ATOM 139 O PRO A 231 0.377 -6.692 -8.740 1.00 0.00 O ATOM 140 CB PRO A 231 -0.224 -7.467 -5.589 1.00 0.00 C ATOM 141 CG PRO A 231 0.761 -8.568 -5.776 1.00 0.00 C ATOM 142 CD PRO A 231 0.088 -9.579 -6.663 1.00 0.00 C ATOM 0 HA PRO A 231 -2.042 -7.115 -6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.275 -6.521 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -0.888 -7.668 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.679 -8.197 -6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 231 1.038 -9.011 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.804 -10.085 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.417 -10.350 -6.082 1.00 0.00 H new ATOM 150 N HIS A 232 -0.744 -5.102 -7.609 1.00 0.00 N ATOM 151 CA HIS A 232 -0.233 -4.007 -8.426 1.00 0.00 C ATOM 152 C HIS A 232 1.095 -3.493 -7.878 1.00 0.00 C ATOM 153 O HIS A 232 1.173 -3.045 -6.734 1.00 0.00 O ATOM 154 CB HIS A 232 -1.250 -2.866 -8.482 1.00 0.00 C ATOM 155 CG HIS A 232 -2.449 -3.173 -9.326 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.382 -3.354 -10.691 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.750 -3.334 -8.990 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.590 -3.610 -11.159 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.439 -3.604 -10.147 1.00 0.00 N ATOM 0 H HIS A 232 -1.380 -4.813 -6.866 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.067 -4.386 -9.434 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.579 -2.633 -7.469 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.761 -1.973 -8.871 1.00 0.00 H new ATOM 0 HD1 HIS A 232 -1.532 -3.299 -11.252 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.169 -3.263 -7.997 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.841 -3.793 -12.193 1.00 0.00 H new ATOM 167 N ARG A 233 2.136 -3.563 -8.701 1.00 0.00 N ATOM 168 CA ARG A 233 3.461 -3.108 -8.297 1.00 0.00 C ATOM 169 C ARG A 233 3.504 -1.586 -8.191 1.00 0.00 C ATOM 170 O ARG A 233 4.158 -0.916 -8.990 1.00 0.00 O ATOM 171 CB ARG A 233 4.515 -3.590 -9.295 1.00 0.00 C ATOM 172 CG ARG A 233 4.770 -5.087 -9.236 1.00 0.00 C ATOM 173 CD ARG A 233 5.822 -5.432 -8.193 1.00 0.00 C ATOM 174 NE ARG A 233 6.335 -6.789 -8.361 1.00 0.00 N ATOM 175 CZ ARG A 233 7.144 -7.152 -9.350 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.531 -6.263 -10.254 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.568 -8.406 -9.436 1.00 0.00 N ATOM 0 H ARG A 233 2.088 -3.930 -9.651 1.00 0.00 H new ATOM 0 HA ARG A 233 3.679 -3.530 -7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.197 -3.324 -10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.450 -3.063 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 233 3.841 -5.607 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 233 5.096 -5.441 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.646 -4.722 -8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.393 -5.328 -7.197 1.00 0.00 H new ATOM 0 HE ARG A 233 6.057 -7.497 -7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 233 7.208 -5.298 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 233 8.152 -6.544 -11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.273 -9.093 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.189 -8.683 -10.196 1.00 0.00 H new ATOM 191 N PHE A 234 2.801 -1.047 -7.200 1.00 0.00 N ATOM 192 CA PHE A 234 2.757 0.395 -6.990 1.00 0.00 C ATOM 193 C PHE A 234 4.091 0.908 -6.454 1.00 0.00 C ATOM 194 O PHE A 234 4.705 0.285 -5.587 1.00 0.00 O ATOM 195 CB PHE A 234 1.631 0.757 -6.020 1.00 0.00 C ATOM 196 CG PHE A 234 0.259 0.600 -6.609 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.142 1.377 -7.683 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.632 -0.325 -6.087 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.404 1.235 -8.228 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.895 -0.472 -6.628 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.282 0.310 -7.699 1.00 0.00 C ATOM 0 H PHE A 234 2.254 -1.588 -6.530 1.00 0.00 H new ATOM 0 HA PHE A 234 2.565 0.871 -7.952 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.711 0.129 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.761 1.789 -5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.540 2.103 -8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.336 -0.937 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.703 1.847 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.579 -1.198 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.270 0.198 -8.122 1.00 0.00 H new ATOM 211 N LYS A 235 4.533 2.047 -6.976 1.00 0.00 N ATOM 212 CA LYS A 235 5.793 2.645 -6.551 1.00 0.00 C ATOM 213 C LYS A 235 5.691 4.167 -6.525 1.00 0.00 C ATOM 214 O LYS A 235 5.272 4.788 -7.502 1.00 0.00 O ATOM 215 CB LYS A 235 6.927 2.215 -7.484 1.00 0.00 C ATOM 216 CG LYS A 235 7.590 0.911 -7.075 1.00 0.00 C ATOM 217 CD LYS A 235 8.756 1.151 -6.131 1.00 0.00 C ATOM 218 CE LYS A 235 8.278 1.446 -4.718 1.00 0.00 C ATOM 219 NZ LYS A 235 9.395 1.407 -3.735 1.00 0.00 N ATOM 0 H LYS A 235 4.037 2.575 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 235 6.010 2.295 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.534 2.112 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.680 3.002 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.857 0.265 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.942 0.386 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.404 0.275 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.355 1.986 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.806 2.428 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 235 7.518 0.719 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.028 1.613 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.830 0.462 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 10.109 2.118 -3.992 1.00 0.00 H new ATOM 233 N VAL A 236 6.078 4.762 -5.401 1.00 0.00 N ATOM 234 CA VAL A 236 6.033 6.212 -5.249 1.00 0.00 C ATOM 235 C VAL A 236 6.909 6.901 -6.289 1.00 0.00 C ATOM 236 O VAL A 236 8.091 6.583 -6.430 1.00 0.00 O ATOM 237 CB VAL A 236 6.489 6.643 -3.843 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.627 8.156 -3.767 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.516 6.135 -2.789 1.00 0.00 C ATOM 0 H VAL A 236 6.426 4.263 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 236 4.996 6.514 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 236 7.466 6.202 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 236 6.950 8.442 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.365 8.491 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.665 8.620 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.853 6.449 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.525 6.545 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.472 5.047 -2.829 1.00 0.00 H new ATOM 249 N TYR A 237 6.324 7.847 -7.015 1.00 0.00 N ATOM 250 CA TYR A 237 7.051 8.581 -8.044 1.00 0.00 C ATOM 251 C TYR A 237 6.548 10.017 -8.147 1.00 0.00 C ATOM 252 O TYR A 237 5.374 10.294 -7.903 1.00 0.00 O ATOM 253 CB TYR A 237 6.908 7.880 -9.396 1.00 0.00 C ATOM 254 CG TYR A 237 7.260 8.760 -10.574 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.569 8.853 -11.031 1.00 0.00 C ATOM 256 CD2 TYR A 237 6.284 9.499 -11.231 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.896 9.656 -12.106 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.601 10.304 -12.308 1.00 0.00 C ATOM 259 CZ TYR A 237 7.908 10.379 -12.742 1.00 0.00 C ATOM 260 OH TYR A 237 8.229 11.180 -13.814 1.00 0.00 O ATOM 0 H TYR A 237 5.348 8.124 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 237 8.104 8.604 -7.763 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.548 6.998 -9.408 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.882 7.531 -9.508 1.00 0.00 H new ATOM 0 HD1 TYR A 237 9.345 8.287 -10.537 1.00 0.00 H new ATOM 0 HD2 TYR A 237 5.260 9.443 -10.894 1.00 0.00 H new ATOM 0 HE1 TYR A 237 9.919 9.718 -12.447 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.830 10.871 -12.807 1.00 0.00 H new ATOM 0 HH TYR A 237 7.419 11.620 -14.148 1.00 0.00 H new ATOM 270 N ASN A 238 7.445 10.927 -8.512 1.00 0.00 N ATOM 271 CA ASN A 238 7.094 12.336 -8.648 1.00 0.00 C ATOM 272 C ASN A 238 6.512 12.620 -10.029 1.00 0.00 C ATOM 273 O ASN A 238 7.237 12.660 -11.024 1.00 0.00 O ATOM 274 CB ASN A 238 8.323 13.215 -8.409 1.00 0.00 C ATOM 275 CG ASN A 238 9.409 12.983 -9.442 1.00 0.00 C ATOM 276 OD1 ASN A 238 9.442 13.641 -10.483 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.304 12.044 -9.159 1.00 0.00 N ATOM 0 H ASN A 238 8.421 10.714 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 238 6.338 12.570 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.026 14.263 -8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.722 13.014 -7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 238 11.058 11.843 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.238 11.523 -8.284 1.00 0.00 H new ATOM 284 N TYR A 239 5.199 12.818 -10.083 1.00 0.00 N ATOM 285 CA TYR A 239 4.519 13.097 -11.342 1.00 0.00 C ATOM 286 C TYR A 239 3.960 14.517 -11.356 1.00 0.00 C ATOM 287 O TYR A 239 3.144 14.884 -10.511 1.00 0.00 O ATOM 288 CB TYR A 239 3.391 12.090 -11.570 1.00 0.00 C ATOM 289 CG TYR A 239 2.119 12.426 -10.824 1.00 0.00 C ATOM 290 CD1 TYR A 239 1.207 13.338 -11.340 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.830 11.831 -9.602 1.00 0.00 C ATOM 292 CE1 TYR A 239 0.045 13.648 -10.661 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.670 12.134 -8.916 1.00 0.00 C ATOM 294 CZ TYR A 239 -0.219 13.043 -9.449 1.00 0.00 C ATOM 295 OH TYR A 239 -1.377 13.349 -8.770 1.00 0.00 O ATOM 0 H TYR A 239 4.585 12.790 -9.269 1.00 0.00 H new ATOM 0 HA TYR A 239 5.247 13.005 -12.148 1.00 0.00 H new ATOM 0 HB2 TYR A 239 3.173 12.036 -12.637 1.00 0.00 H new ATOM 0 HB3 TYR A 239 3.731 11.101 -11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 239 1.410 13.813 -12.289 1.00 0.00 H new ATOM 0 HD2 TYR A 239 2.525 11.119 -9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -0.653 14.360 -11.076 1.00 0.00 H new ATOM 0 HE2 TYR A 239 0.461 11.662 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 239 -1.718 14.214 -9.078 1.00 0.00 H new ATOM 305 N LYS A 240 4.406 15.311 -12.323 1.00 0.00 N ATOM 306 CA LYS A 240 3.951 16.690 -12.452 1.00 0.00 C ATOM 307 C LYS A 240 2.666 16.765 -13.271 1.00 0.00 C ATOM 308 O LYS A 240 1.624 17.188 -12.770 1.00 0.00 O ATOM 309 CB LYS A 240 5.036 17.548 -13.107 1.00 0.00 C ATOM 310 CG LYS A 240 6.023 18.140 -12.116 1.00 0.00 C ATOM 311 CD LYS A 240 7.116 17.148 -11.757 1.00 0.00 C ATOM 312 CE LYS A 240 6.725 16.298 -10.557 1.00 0.00 C ATOM 313 NZ LYS A 240 6.985 17.003 -9.271 1.00 0.00 N ATOM 0 H LYS A 240 5.083 15.023 -13.030 1.00 0.00 H new ATOM 0 HA LYS A 240 3.747 17.073 -11.452 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.580 16.941 -13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 240 4.562 18.357 -13.662 1.00 0.00 H new ATOM 0 HG2 LYS A 240 6.471 19.039 -12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 240 5.495 18.443 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 240 7.318 16.502 -12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 240 8.039 17.685 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 240 5.668 16.041 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 240 7.283 15.362 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 6.706 16.392 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 7.998 17.226 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 6.433 17.884 -9.240 1.00 0.00 H new ATOM 327 N SER A 241 2.748 16.351 -14.531 1.00 0.00 N ATOM 328 CA SER A 241 1.592 16.374 -15.420 1.00 0.00 C ATOM 329 C SER A 241 0.325 15.967 -14.673 1.00 0.00 C ATOM 330 O SER A 241 0.342 15.110 -13.790 1.00 0.00 O ATOM 331 CB SER A 241 1.818 15.439 -16.610 1.00 0.00 C ATOM 332 OG SER A 241 1.681 14.082 -16.226 1.00 0.00 O ATOM 0 H SER A 241 3.603 15.996 -14.960 1.00 0.00 H new ATOM 0 HA SER A 241 1.466 17.393 -15.786 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.103 15.671 -17.399 1.00 0.00 H new ATOM 0 HB3 SER A 241 2.813 15.605 -17.023 1.00 0.00 H new ATOM 0 HG SER A 241 1.828 13.505 -17.004 1.00 0.00 H new ATOM 338 N PRO A 242 -0.803 16.597 -15.036 1.00 0.00 N ATOM 339 CA PRO A 242 -2.100 16.317 -14.414 1.00 0.00 C ATOM 340 C PRO A 242 -2.636 14.938 -14.784 1.00 0.00 C ATOM 341 O PRO A 242 -2.548 14.515 -15.937 1.00 0.00 O ATOM 342 CB PRO A 242 -3.008 17.413 -14.980 1.00 0.00 C ATOM 343 CG PRO A 242 -2.379 17.793 -16.276 1.00 0.00 C ATOM 344 CD PRO A 242 -0.897 17.629 -16.081 1.00 0.00 C ATOM 0 HA PRO A 242 -2.038 16.314 -13.326 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.025 17.049 -15.125 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.068 18.266 -14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.739 17.158 -17.085 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.626 18.820 -16.543 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.403 17.316 -17.001 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.427 18.562 -15.768 1.00 0.00 H new ATOM 352 N THR A 243 -3.192 14.240 -13.798 1.00 0.00 N ATOM 353 CA THR A 243 -3.741 12.909 -14.020 1.00 0.00 C ATOM 354 C THR A 243 -4.963 12.665 -13.142 1.00 0.00 C ATOM 355 O THR A 243 -5.044 13.166 -12.021 1.00 0.00 O ATOM 356 CB THR A 243 -2.693 11.815 -13.738 1.00 0.00 C ATOM 357 OG1 THR A 243 -3.058 10.603 -14.407 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.569 11.558 -12.244 1.00 0.00 C ATOM 0 H THR A 243 -3.274 14.575 -12.838 1.00 0.00 H new ATOM 0 HA THR A 243 -4.035 12.859 -15.068 1.00 0.00 H new ATOM 0 HB THR A 243 -1.729 12.160 -14.113 1.00 0.00 H new ATOM 0 HG1 THR A 243 -2.386 9.913 -14.224 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.824 10.782 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.263 12.475 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.532 11.232 -11.850 1.00 0.00 H new ATOM 366 N PHE A 244 -5.912 11.891 -13.659 1.00 0.00 N ATOM 367 CA PHE A 244 -7.131 11.580 -12.922 1.00 0.00 C ATOM 368 C PHE A 244 -7.106 10.143 -12.411 1.00 0.00 C ATOM 369 O PHE A 244 -6.788 9.213 -13.153 1.00 0.00 O ATOM 370 CB PHE A 244 -8.358 11.797 -13.809 1.00 0.00 C ATOM 371 CG PHE A 244 -8.546 13.225 -14.235 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.617 13.845 -15.055 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.651 13.947 -13.816 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.787 15.159 -15.448 1.00 0.00 C ATOM 375 CE2 PHE A 244 -9.827 15.261 -14.206 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.894 15.868 -15.023 1.00 0.00 C ATOM 0 H PHE A 244 -5.860 11.468 -14.586 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.188 12.251 -12.065 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.270 11.170 -14.696 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.247 11.466 -13.272 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.750 13.295 -15.391 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -10.384 13.477 -13.177 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.055 15.631 -16.087 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -10.693 15.813 -13.872 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.029 16.895 -15.329 1.00 0.00 H new ATOM 386 N CYS A 245 -7.444 9.968 -11.137 1.00 0.00 N ATOM 387 CA CYS A 245 -7.460 8.645 -10.524 1.00 0.00 C ATOM 388 C CYS A 245 -8.498 7.749 -11.193 1.00 0.00 C ATOM 389 O CYS A 245 -9.697 7.886 -10.953 1.00 0.00 O ATOM 390 CB CYS A 245 -7.755 8.758 -9.027 1.00 0.00 C ATOM 391 SG CYS A 245 -7.280 7.286 -8.064 1.00 0.00 S ATOM 0 H CYS A 245 -7.711 10.726 -10.509 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.476 8.196 -10.660 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.229 9.625 -8.628 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.821 8.941 -8.890 1.00 0.00 H new ATOM 0 HG CYS A 245 -6.967 6.319 -8.875 1.00 0.00 H new ATOM 396 N GLU A 246 -8.027 6.831 -12.031 1.00 0.00 N ATOM 397 CA GLU A 246 -8.915 5.913 -12.734 1.00 0.00 C ATOM 398 C GLU A 246 -9.649 5.005 -11.751 1.00 0.00 C ATOM 399 O GLU A 246 -10.544 4.252 -12.134 1.00 0.00 O ATOM 400 CB GLU A 246 -8.123 5.066 -13.733 1.00 0.00 C ATOM 401 CG GLU A 246 -7.911 5.747 -15.075 1.00 0.00 C ATOM 402 CD GLU A 246 -9.126 5.650 -15.976 1.00 0.00 C ATOM 403 OE1 GLU A 246 -10.241 5.453 -15.451 1.00 0.00 O ATOM 404 OE2 GLU A 246 -8.961 5.773 -17.208 1.00 0.00 O ATOM 0 H GLU A 246 -7.037 6.703 -12.239 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.653 6.506 -13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -7.152 4.823 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.646 4.123 -13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.668 6.797 -14.911 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -7.055 5.296 -15.576 1.00 0.00 H new ATOM 411 N HIS A 247 -9.262 5.083 -10.482 1.00 0.00 N ATOM 412 CA HIS A 247 -9.882 4.269 -9.442 1.00 0.00 C ATOM 413 C HIS A 247 -11.115 4.963 -8.872 1.00 0.00 C ATOM 414 O HIS A 247 -12.245 4.528 -9.098 1.00 0.00 O ATOM 415 CB HIS A 247 -8.880 3.983 -8.323 1.00 0.00 C ATOM 416 CG HIS A 247 -9.485 3.294 -7.139 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.512 1.922 -6.999 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.087 3.795 -6.035 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.106 1.610 -5.861 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.464 2.728 -5.257 1.00 0.00 N ATOM 0 H HIS A 247 -8.522 5.701 -10.149 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.193 3.325 -9.891 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.073 3.367 -8.718 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.434 4.923 -7.997 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.242 4.839 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.271 0.610 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -10.943 2.789 -4.358 1.00 0.00 H new ATOM 428 N CYS A 248 -10.891 6.043 -8.132 1.00 0.00 N ATOM 429 CA CYS A 248 -11.983 6.797 -7.528 1.00 0.00 C ATOM 430 C CYS A 248 -12.540 7.827 -8.507 1.00 0.00 C ATOM 431 O CYS A 248 -13.577 8.440 -8.257 1.00 0.00 O ATOM 432 CB CYS A 248 -11.505 7.495 -6.253 1.00 0.00 C ATOM 433 SG CYS A 248 -10.241 8.775 -6.536 1.00 0.00 S ATOM 0 H CYS A 248 -9.962 6.416 -7.936 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.778 6.096 -7.274 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.363 7.950 -5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -11.102 6.746 -5.571 1.00 0.00 H new ATOM 0 HG CYS A 248 -9.133 8.213 -6.919 1.00 0.00 H new ATOM 438 N GLY A 249 -11.841 8.012 -9.624 1.00 0.00 N ATOM 439 CA GLY A 249 -12.280 8.967 -10.624 1.00 0.00 C ATOM 440 C GLY A 249 -11.806 10.376 -10.327 1.00 0.00 C ATOM 441 O GLY A 249 -11.767 11.227 -11.216 1.00 0.00 O ATOM 0 H GLY A 249 -10.979 7.517 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.909 8.661 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.369 8.957 -10.678 1.00 0.00 H new ATOM 445 N THR A 250 -11.445 10.625 -9.072 1.00 0.00 N ATOM 446 CA THR A 250 -10.973 11.941 -8.659 1.00 0.00 C ATOM 447 C THR A 250 -9.503 12.133 -9.011 1.00 0.00 C ATOM 448 O THR A 250 -8.760 11.164 -9.173 1.00 0.00 O ATOM 449 CB THR A 250 -11.160 12.156 -7.146 1.00 0.00 C ATOM 450 OG1 THR A 250 -11.916 11.076 -6.587 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.868 13.474 -6.869 1.00 0.00 C ATOM 0 H THR A 250 -11.471 9.932 -8.324 1.00 0.00 H new ATOM 0 HA THR A 250 -11.572 12.675 -9.199 1.00 0.00 H new ATOM 0 HB THR A 250 -10.174 12.187 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 250 -11.307 10.360 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.989 13.603 -5.793 1.00 0.00 H new ATOM 0 HG22 THR A 250 -11.275 14.297 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.848 13.468 -7.346 1.00 0.00 H new ATOM 459 N LEU A 251 -9.086 13.390 -9.127 1.00 0.00 N ATOM 460 CA LEU A 251 -7.702 13.709 -9.459 1.00 0.00 C ATOM 461 C LEU A 251 -6.796 13.530 -8.246 1.00 0.00 C ATOM 462 O LEU A 251 -7.245 13.108 -7.179 1.00 0.00 O ATOM 463 CB LEU A 251 -7.600 15.144 -9.979 1.00 0.00 C ATOM 464 CG LEU A 251 -8.013 15.362 -11.435 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.597 16.753 -11.622 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.825 15.151 -12.363 1.00 0.00 C ATOM 0 H LEU A 251 -9.687 14.204 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.373 13.022 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.218 15.783 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.570 15.480 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.781 14.631 -11.688 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.885 16.890 -12.664 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.474 16.868 -10.985 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.851 17.500 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -7.137 15.310 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -6.035 15.858 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.451 14.133 -12.250 1.00 0.00 H new ATOM 478 N LEU A 252 -5.519 13.855 -8.414 1.00 0.00 N ATOM 479 CA LEU A 252 -4.549 13.733 -7.332 1.00 0.00 C ATOM 480 C LEU A 252 -3.498 14.835 -7.415 1.00 0.00 C ATOM 481 O LEU A 252 -3.111 15.256 -8.504 1.00 0.00 O ATOM 482 CB LEU A 252 -3.871 12.362 -7.381 1.00 0.00 C ATOM 483 CG LEU A 252 -3.646 11.774 -8.774 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.460 10.822 -8.767 1.00 0.00 C ATOM 485 CD2 LEU A 252 -4.900 11.063 -9.262 1.00 0.00 C ATOM 0 H LEU A 252 -5.131 14.205 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 252 -5.082 13.835 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.906 12.438 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -4.474 11.660 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 252 -3.425 12.591 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -2.315 10.413 -9.767 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -1.563 11.361 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -2.650 10.009 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -4.721 10.651 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -5.152 10.256 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -5.726 11.772 -9.307 1.00 0.00 H new ATOM 497 N TRP A 253 -3.041 15.297 -6.256 1.00 0.00 N ATOM 498 CA TRP A 253 -2.033 16.350 -6.198 1.00 0.00 C ATOM 499 C TRP A 253 -1.565 16.577 -4.765 1.00 0.00 C ATOM 500 O TRP A 253 -2.377 16.719 -3.852 1.00 0.00 O ATOM 501 CB TRP A 253 -2.591 17.651 -6.778 1.00 0.00 C ATOM 502 CG TRP A 253 -1.526 18.602 -7.233 1.00 0.00 C ATOM 503 CD1 TRP A 253 -1.075 18.777 -8.510 1.00 0.00 C ATOM 504 CD2 TRP A 253 -0.779 19.508 -6.414 1.00 0.00 C ATOM 505 NE1 TRP A 253 -0.092 19.737 -8.535 1.00 0.00 N ATOM 506 CE2 TRP A 253 0.108 20.201 -7.262 1.00 0.00 C ATOM 507 CE3 TRP A 253 -0.773 19.802 -5.048 1.00 0.00 C ATOM 508 CZ2 TRP A 253 0.989 21.168 -6.785 1.00 0.00 C ATOM 509 CZ3 TRP A 253 0.103 20.762 -4.577 1.00 0.00 C ATOM 510 CH2 TRP A 253 0.973 21.436 -5.443 1.00 0.00 C ATOM 0 H TRP A 253 -3.352 14.960 -5.345 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.177 16.033 -6.794 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.242 17.416 -7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.208 18.141 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -1.438 18.240 -9.374 1.00 0.00 H new ATOM 0 HE1 TRP A 253 0.407 20.053 -9.366 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -1.441 19.288 -4.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 1.662 21.688 -7.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 0.117 20.996 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 253 1.644 22.182 -5.044 1.00 0.00 H new ATOM 521 N GLY A 254 -0.250 16.609 -4.574 1.00 0.00 N ATOM 522 CA GLY A 254 0.303 16.819 -3.249 1.00 0.00 C ATOM 523 C GLY A 254 1.817 16.889 -3.256 1.00 0.00 C ATOM 524 O GLY A 254 2.411 17.566 -4.096 1.00 0.00 O ATOM 0 H GLY A 254 0.443 16.493 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -0.098 17.743 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -0.017 16.010 -2.593 1.00 0.00 H new ATOM 528 N LEU A 255 2.444 16.188 -2.318 1.00 0.00 N ATOM 529 CA LEU A 255 3.900 16.174 -2.218 1.00 0.00 C ATOM 530 C LEU A 255 4.501 15.142 -3.167 1.00 0.00 C ATOM 531 O LEU A 255 3.778 14.427 -3.860 1.00 0.00 O ATOM 532 CB LEU A 255 4.329 15.873 -0.781 1.00 0.00 C ATOM 533 CG LEU A 255 4.460 17.081 0.147 1.00 0.00 C ATOM 534 CD1 LEU A 255 5.772 17.808 -0.105 1.00 0.00 C ATOM 535 CD2 LEU A 255 3.281 18.025 -0.036 1.00 0.00 C ATOM 0 H LEU A 255 1.968 15.622 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 255 4.269 17.160 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 255 3.608 15.182 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.288 15.357 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 255 4.458 16.725 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 255 5.848 18.665 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 255 6.605 17.129 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 255 5.805 18.152 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 255 3.391 18.879 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 255 3.251 18.374 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 255 2.355 17.500 0.196 1.00 0.00 H new ATOM 547 N ALA A 256 5.827 15.069 -3.190 1.00 0.00 N ATOM 548 CA ALA A 256 6.525 14.122 -4.051 1.00 0.00 C ATOM 549 C ALA A 256 5.777 12.796 -4.127 1.00 0.00 C ATOM 550 O ALA A 256 5.773 12.134 -5.165 1.00 0.00 O ATOM 551 CB ALA A 256 7.945 13.901 -3.550 1.00 0.00 C ATOM 0 H ALA A 256 6.440 15.654 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 256 6.567 14.544 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.455 13.192 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.484 14.849 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.915 13.504 -2.535 1.00 0.00 H new ATOM 557 N ARG A 257 5.146 12.413 -3.022 1.00 0.00 N ATOM 558 CA ARG A 257 4.396 11.164 -2.965 1.00 0.00 C ATOM 559 C ARG A 257 2.965 11.366 -3.455 1.00 0.00 C ATOM 560 O ARG A 257 2.029 10.764 -2.931 1.00 0.00 O ATOM 561 CB ARG A 257 4.384 10.617 -1.536 1.00 0.00 C ATOM 562 CG ARG A 257 5.763 10.541 -0.902 1.00 0.00 C ATOM 563 CD ARG A 257 5.773 9.610 0.300 1.00 0.00 C ATOM 564 NE ARG A 257 7.038 9.669 1.028 1.00 0.00 N ATOM 565 CZ ARG A 257 7.388 10.684 1.811 1.00 0.00 C ATOM 566 NH1 ARG A 257 6.573 11.718 1.966 1.00 0.00 N ATOM 567 NH2 ARG A 257 8.556 10.665 2.441 1.00 0.00 N ATOM 0 H ARG A 257 5.139 12.949 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 257 4.888 10.444 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 257 3.744 11.248 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 257 3.940 9.622 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 257 6.485 10.192 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 257 6.079 11.538 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 257 4.956 9.876 0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 257 5.593 8.587 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 257 7.688 8.889 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 257 5.674 11.736 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 257 6.844 12.496 2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 257 9.186 9.871 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 257 8.824 11.444 3.042 1.00 0.00 H new ATOM 581 N GLN A 258 2.805 12.218 -4.463 1.00 0.00 N ATOM 582 CA GLN A 258 1.488 12.500 -5.022 1.00 0.00 C ATOM 583 C GLN A 258 0.663 11.223 -5.143 1.00 0.00 C ATOM 584 O GLN A 258 -0.261 10.993 -4.364 1.00 0.00 O ATOM 585 CB GLN A 258 1.625 13.163 -6.394 1.00 0.00 C ATOM 586 CG GLN A 258 2.396 14.473 -6.362 1.00 0.00 C ATOM 587 CD GLN A 258 2.384 15.190 -7.697 1.00 0.00 C ATOM 588 OE1 GLN A 258 1.448 15.047 -8.483 1.00 0.00 O ATOM 589 NE2 GLN A 258 3.428 15.968 -7.961 1.00 0.00 N ATOM 0 H GLN A 258 3.570 12.724 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 258 0.972 13.182 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.125 12.473 -7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 258 0.630 13.346 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 258 1.967 15.124 -5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 258 3.427 14.276 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 258 4.182 16.058 -7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 258 3.475 16.476 -8.844 1.00 0.00 H new ATOM 598 N GLY A 259 1.004 10.394 -6.125 1.00 0.00 N ATOM 599 CA GLY A 259 0.284 9.150 -6.329 1.00 0.00 C ATOM 600 C GLY A 259 1.212 7.959 -6.466 1.00 0.00 C ATOM 601 O GLY A 259 2.385 8.030 -6.097 1.00 0.00 O ATOM 0 H GLY A 259 1.766 10.561 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.394 8.984 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.331 9.232 -7.225 1.00 0.00 H new ATOM 605 N LEU A 260 0.687 6.860 -6.996 1.00 0.00 N ATOM 606 CA LEU A 260 1.475 5.647 -7.180 1.00 0.00 C ATOM 607 C LEU A 260 1.298 5.090 -8.588 1.00 0.00 C ATOM 608 O LEU A 260 0.176 4.859 -9.040 1.00 0.00 O ATOM 609 CB LEU A 260 1.072 4.592 -6.147 1.00 0.00 C ATOM 610 CG LEU A 260 1.221 4.998 -4.680 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.416 4.068 -3.786 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.687 4.996 -4.272 1.00 0.00 C ATOM 0 H LEU A 260 -0.282 6.784 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 260 2.526 5.901 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.032 4.318 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 260 1.671 3.697 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 260 0.833 6.010 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.534 4.371 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.637 4.119 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 260 0.774 3.046 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.774 5.287 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.101 3.996 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.238 5.703 -4.892 1.00 0.00 H new ATOM 624 N LYS A 261 2.413 4.873 -9.278 1.00 0.00 N ATOM 625 CA LYS A 261 2.382 4.339 -10.635 1.00 0.00 C ATOM 626 C LYS A 261 2.838 2.884 -10.657 1.00 0.00 C ATOM 627 O LYS A 261 3.996 2.581 -10.369 1.00 0.00 O ATOM 628 CB LYS A 261 3.272 5.178 -11.555 1.00 0.00 C ATOM 629 CG LYS A 261 3.146 4.811 -13.023 1.00 0.00 C ATOM 630 CD LYS A 261 4.369 5.244 -13.814 1.00 0.00 C ATOM 631 CE LYS A 261 4.478 6.760 -13.885 1.00 0.00 C ATOM 632 NZ LYS A 261 5.582 7.194 -14.786 1.00 0.00 N ATOM 0 H LYS A 261 3.350 5.059 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 261 1.354 4.384 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.020 6.231 -11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.311 5.060 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.012 3.734 -13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.256 5.281 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 261 5.267 4.835 -13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.315 4.834 -14.823 1.00 0.00 H new ATOM 0 HE2 LYS A 261 3.535 7.176 -14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 261 4.647 7.159 -12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 5.624 8.233 -14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 6.486 6.818 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.408 6.834 -15.746 1.00 0.00 H new ATOM 646 N CYS A 262 1.920 1.987 -11.002 1.00 0.00 N ATOM 647 CA CYS A 262 2.227 0.563 -11.064 1.00 0.00 C ATOM 648 C CYS A 262 3.296 0.282 -12.116 1.00 0.00 C ATOM 649 O CYS A 262 3.152 0.662 -13.278 1.00 0.00 O ATOM 650 CB CYS A 262 0.963 -0.240 -11.378 1.00 0.00 C ATOM 651 SG CYS A 262 1.009 -1.961 -10.783 1.00 0.00 S ATOM 0 H CYS A 262 0.957 2.221 -11.243 1.00 0.00 H new ATOM 0 HA CYS A 262 2.611 0.257 -10.091 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.105 0.264 -10.933 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.806 -0.244 -12.457 1.00 0.00 H new ATOM 0 HG CYS A 262 2.211 -2.436 -10.921 1.00 0.00 H new ATOM 656 N ASP A 263 4.366 -0.386 -11.700 1.00 0.00 N ATOM 657 CA ASP A 263 5.459 -0.720 -12.606 1.00 0.00 C ATOM 658 C ASP A 263 5.281 -2.123 -13.179 1.00 0.00 C ATOM 659 O ASP A 263 6.229 -2.721 -13.687 1.00 0.00 O ATOM 660 CB ASP A 263 6.801 -0.618 -11.880 1.00 0.00 C ATOM 661 CG ASP A 263 7.398 0.773 -11.959 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.583 1.276 -13.086 1.00 0.00 O ATOM 663 OD2 ASP A 263 7.681 1.359 -10.892 1.00 0.00 O ATOM 0 H ASP A 263 4.500 -0.707 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 263 5.446 -0.007 -13.430 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.667 -0.894 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.500 -1.335 -12.311 1.00 0.00 H new ATOM 668 N ALA A 264 4.060 -2.641 -13.092 1.00 0.00 N ATOM 669 CA ALA A 264 3.758 -3.973 -13.601 1.00 0.00 C ATOM 670 C ALA A 264 2.772 -3.906 -14.762 1.00 0.00 C ATOM 671 O ALA A 264 2.908 -4.629 -15.749 1.00 0.00 O ATOM 672 CB ALA A 264 3.207 -4.852 -12.488 1.00 0.00 C ATOM 0 H ALA A 264 3.264 -2.159 -12.674 1.00 0.00 H new ATOM 0 HA ALA A 264 4.685 -4.412 -13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.986 -5.844 -12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.946 -4.935 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.294 -4.408 -12.092 1.00 0.00 H new ATOM 678 N CYS A 265 1.777 -3.033 -14.637 1.00 0.00 N ATOM 679 CA CYS A 265 0.766 -2.872 -15.675 1.00 0.00 C ATOM 680 C CYS A 265 0.764 -1.444 -16.215 1.00 0.00 C ATOM 681 O CYS A 265 0.709 -1.226 -17.424 1.00 0.00 O ATOM 682 CB CYS A 265 -0.618 -3.224 -15.127 1.00 0.00 C ATOM 683 SG CYS A 265 -1.170 -2.156 -13.758 1.00 0.00 S ATOM 0 H CYS A 265 1.650 -2.426 -13.827 1.00 0.00 H new ATOM 0 HA CYS A 265 1.009 -3.551 -16.493 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.344 -3.162 -15.937 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.609 -4.259 -14.785 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.298 -2.199 -12.795 1.00 0.00 H new ATOM 688 N GLY A 266 0.824 -0.474 -15.307 1.00 0.00 N ATOM 689 CA GLY A 266 0.828 0.920 -15.711 1.00 0.00 C ATOM 690 C GLY A 266 -0.476 1.622 -15.384 1.00 0.00 C ATOM 691 O GLY A 266 -1.320 1.816 -16.258 1.00 0.00 O ATOM 0 H GLY A 266 0.870 -0.629 -14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.650 1.437 -15.215 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.013 0.984 -16.783 1.00 0.00 H new ATOM 695 N MET A 267 -0.641 2.001 -14.121 1.00 0.00 N ATOM 696 CA MET A 267 -1.852 2.685 -13.681 1.00 0.00 C ATOM 697 C MET A 267 -1.537 3.695 -12.582 1.00 0.00 C ATOM 698 O MET A 267 -0.709 3.438 -11.709 1.00 0.00 O ATOM 699 CB MET A 267 -2.882 1.671 -13.178 1.00 0.00 C ATOM 700 CG MET A 267 -4.242 2.282 -12.882 1.00 0.00 C ATOM 701 SD MET A 267 -5.542 1.042 -12.732 1.00 0.00 S ATOM 702 CE MET A 267 -4.688 -0.235 -11.812 1.00 0.00 C ATOM 0 H MET A 267 0.048 1.846 -13.385 1.00 0.00 H new ATOM 0 HA MET A 267 -2.267 3.221 -14.534 1.00 0.00 H new ATOM 0 HB2 MET A 267 -3.000 0.885 -13.924 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.501 1.197 -12.273 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.185 2.856 -11.957 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.502 2.982 -13.676 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.416 -0.922 -11.381 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.024 -0.783 -12.481 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.103 0.221 -11.013 1.00 0.00 H new ATOM 712 N ASN A 268 -2.204 4.844 -12.632 1.00 0.00 N ATOM 713 CA ASN A 268 -1.994 5.892 -11.640 1.00 0.00 C ATOM 714 C ASN A 268 -3.170 5.969 -10.672 1.00 0.00 C ATOM 715 O ASN A 268 -4.315 6.162 -11.083 1.00 0.00 O ATOM 716 CB ASN A 268 -1.798 7.244 -12.331 1.00 0.00 C ATOM 717 CG ASN A 268 -0.392 7.417 -12.874 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.249 6.451 -13.286 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.093 8.653 -12.875 1.00 0.00 N ATOM 0 H ASN A 268 -2.894 5.072 -13.348 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.096 5.647 -11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.514 7.339 -13.147 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -2.013 8.045 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 268 1.033 8.832 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -0.475 9.424 -12.523 1.00 0.00 H new ATOM 726 N VAL A 269 -2.881 5.818 -9.384 1.00 0.00 N ATOM 727 CA VAL A 269 -3.914 5.873 -8.356 1.00 0.00 C ATOM 728 C VAL A 269 -3.405 6.573 -7.102 1.00 0.00 C ATOM 729 O VAL A 269 -2.202 6.601 -6.838 1.00 0.00 O ATOM 730 CB VAL A 269 -4.405 4.462 -7.980 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.046 3.782 -9.181 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.258 3.627 -7.433 1.00 0.00 C ATOM 0 H VAL A 269 -1.939 5.656 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.746 6.441 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.160 4.555 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.387 2.786 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.896 4.373 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.315 3.699 -9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.623 2.634 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.478 3.540 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.849 4.108 -6.544 1.00 0.00 H new ATOM 742 N HIS A 270 -4.328 7.137 -6.330 1.00 0.00 N ATOM 743 CA HIS A 270 -3.973 7.838 -5.101 1.00 0.00 C ATOM 744 C HIS A 270 -3.089 6.965 -4.214 1.00 0.00 C ATOM 745 O HIS A 270 -2.779 5.825 -4.560 1.00 0.00 O ATOM 746 CB HIS A 270 -5.234 8.246 -4.339 1.00 0.00 C ATOM 747 CG HIS A 270 -5.819 9.545 -4.801 1.00 0.00 C ATOM 748 ND1 HIS A 270 -7.016 9.632 -5.480 1.00 0.00 N ATOM 749 CD2 HIS A 270 -5.365 10.814 -4.678 1.00 0.00 C ATOM 750 CE1 HIS A 270 -7.273 10.898 -5.755 1.00 0.00 C ATOM 751 NE2 HIS A 270 -6.286 11.636 -5.279 1.00 0.00 N ATOM 0 H HIS A 270 -5.327 7.122 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.415 8.734 -5.371 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.983 7.461 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.999 8.320 -3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -7.610 8.842 -5.731 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.449 11.123 -4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -8.142 11.267 -6.280 1.00 0.00 H new ATOM 759 N HIS A 271 -2.685 7.509 -3.070 1.00 0.00 N ATOM 760 CA HIS A 271 -1.837 6.780 -2.135 1.00 0.00 C ATOM 761 C HIS A 271 -2.603 5.630 -1.489 1.00 0.00 C ATOM 762 O HIS A 271 -2.044 4.562 -1.239 1.00 0.00 O ATOM 763 CB HIS A 271 -1.304 7.723 -1.055 1.00 0.00 C ATOM 764 CG HIS A 271 -0.053 7.232 -0.395 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.198 7.361 -0.962 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.136 6.610 0.792 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.101 6.838 -0.152 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.483 6.376 0.919 1.00 0.00 N ATOM 0 H HIS A 271 -2.932 8.452 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 271 -0.997 6.366 -2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.111 8.699 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -2.074 7.865 -0.296 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.630 6.347 1.506 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.165 6.796 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 271 1.933 5.919 1.712 1.00 0.00 H new ATOM 776 N ARG A 272 -3.885 5.857 -1.220 1.00 0.00 N ATOM 777 CA ARG A 272 -4.727 4.840 -0.601 1.00 0.00 C ATOM 778 C ARG A 272 -5.473 4.033 -1.661 1.00 0.00 C ATOM 779 O ARG A 272 -5.475 2.802 -1.632 1.00 0.00 O ATOM 780 CB ARG A 272 -5.726 5.489 0.358 1.00 0.00 C ATOM 781 CG ARG A 272 -5.096 6.501 1.301 1.00 0.00 C ATOM 782 CD ARG A 272 -6.115 7.518 1.790 1.00 0.00 C ATOM 783 NE ARG A 272 -5.480 8.739 2.276 1.00 0.00 N ATOM 784 CZ ARG A 272 -4.982 8.871 3.501 1.00 0.00 C ATOM 785 NH1 ARG A 272 -5.045 7.862 4.358 1.00 0.00 N ATOM 786 NH2 ARG A 272 -4.419 10.015 3.870 1.00 0.00 N ATOM 0 H ARG A 272 -4.363 6.735 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.083 4.163 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.506 5.982 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.211 4.710 0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -4.660 5.982 2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -4.282 7.016 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -6.800 7.764 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -6.712 7.078 2.588 1.00 0.00 H new ATOM 0 HE ARG A 272 -5.415 9.534 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -5.477 6.981 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -4.662 7.966 5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -4.368 10.794 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -4.037 10.115 4.810 1.00 0.00 H new ATOM 800 N CYS A 273 -6.106 4.735 -2.594 1.00 0.00 N ATOM 801 CA CYS A 273 -6.856 4.086 -3.663 1.00 0.00 C ATOM 802 C CYS A 273 -6.126 2.844 -4.163 1.00 0.00 C ATOM 803 O CYS A 273 -6.748 1.902 -4.654 1.00 0.00 O ATOM 804 CB CYS A 273 -7.081 5.060 -4.821 1.00 0.00 C ATOM 805 SG CYS A 273 -8.331 6.342 -4.482 1.00 0.00 S ATOM 0 H CYS A 273 -6.115 5.754 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.822 3.781 -3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.135 5.545 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.385 4.496 -5.703 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.674 6.919 -5.595 1.00 0.00 H new ATOM 810 N GLN A 274 -4.803 2.850 -4.035 1.00 0.00 N ATOM 811 CA GLN A 274 -3.988 1.724 -4.474 1.00 0.00 C ATOM 812 C GLN A 274 -4.496 0.417 -3.874 1.00 0.00 C ATOM 813 O GLN A 274 -4.696 -0.569 -4.585 1.00 0.00 O ATOM 814 CB GLN A 274 -2.525 1.943 -4.085 1.00 0.00 C ATOM 815 CG GLN A 274 -2.201 1.504 -2.666 1.00 0.00 C ATOM 816 CD GLN A 274 -0.738 1.694 -2.316 1.00 0.00 C ATOM 817 OE1 GLN A 274 0.146 1.147 -2.977 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.474 2.471 -1.272 1.00 0.00 N ATOM 0 H GLN A 274 -4.273 3.622 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.062 1.657 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -1.887 1.397 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.283 3.000 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.815 2.070 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.466 0.454 -2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.238 2.904 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.492 2.635 -0.989 1.00 0.00 H new ATOM 827 N THR A 275 -4.703 0.415 -2.561 1.00 0.00 N ATOM 828 CA THR A 275 -5.186 -0.770 -1.865 1.00 0.00 C ATOM 829 C THR A 275 -6.643 -1.055 -2.211 1.00 0.00 C ATOM 830 O THR A 275 -7.046 -2.211 -2.342 1.00 0.00 O ATOM 831 CB THR A 275 -5.053 -0.618 -0.338 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.858 -1.600 0.324 1.00 0.00 O ATOM 833 CG2 THR A 275 -5.476 0.774 0.106 1.00 0.00 C ATOM 0 H THR A 275 -4.543 1.222 -1.958 1.00 0.00 H new ATOM 0 HA THR A 275 -4.567 -1.604 -2.195 1.00 0.00 H new ATOM 0 HB THR A 275 -4.007 -0.766 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.767 -1.498 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 275 -5.374 0.858 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 275 -4.843 1.518 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 275 -6.515 0.945 -0.174 1.00 0.00 H new ATOM 841 N LYS A 276 -7.430 0.005 -2.358 1.00 0.00 N ATOM 842 CA LYS A 276 -8.843 -0.130 -2.691 1.00 0.00 C ATOM 843 C LYS A 276 -9.026 -0.959 -3.958 1.00 0.00 C ATOM 844 O LYS A 276 -10.020 -1.670 -4.108 1.00 0.00 O ATOM 845 CB LYS A 276 -9.479 1.250 -2.875 1.00 0.00 C ATOM 846 CG LYS A 276 -9.987 1.863 -1.581 1.00 0.00 C ATOM 847 CD LYS A 276 -8.868 2.031 -0.567 1.00 0.00 C ATOM 848 CE LYS A 276 -8.721 0.798 0.311 1.00 0.00 C ATOM 849 NZ LYS A 276 -10.032 0.341 0.849 1.00 0.00 N ATOM 0 H LYS A 276 -7.113 0.969 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.338 -0.644 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -8.746 1.922 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.308 1.168 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -10.439 2.833 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -10.769 1.231 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -7.930 2.222 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -9.069 2.902 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -8.265 -0.006 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -8.046 1.019 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -9.877 -0.218 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -10.622 1.167 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -10.514 -0.246 0.138 1.00 0.00 H new ATOM 863 N VAL A 277 -8.061 -0.865 -4.866 1.00 0.00 N ATOM 864 CA VAL A 277 -8.115 -1.608 -6.120 1.00 0.00 C ATOM 865 C VAL A 277 -8.035 -3.110 -5.871 1.00 0.00 C ATOM 866 O VAL A 277 -7.806 -3.552 -4.746 1.00 0.00 O ATOM 867 CB VAL A 277 -6.973 -1.194 -7.067 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.335 -1.512 -8.510 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.654 0.284 -6.902 1.00 0.00 C ATOM 0 H VAL A 277 -7.232 -0.281 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.070 -1.370 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.082 -1.766 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.517 -1.213 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.510 -2.583 -8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.238 -0.968 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.845 0.559 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.539 0.876 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.349 0.478 -5.874 1.00 0.00 H new ATOM 879 N ALA A 278 -8.225 -3.890 -6.930 1.00 0.00 N ATOM 880 CA ALA A 278 -8.173 -5.343 -6.828 1.00 0.00 C ATOM 881 C ALA A 278 -6.781 -5.867 -7.166 1.00 0.00 C ATOM 882 O ALA A 278 -6.019 -5.216 -7.879 1.00 0.00 O ATOM 883 CB ALA A 278 -9.212 -5.975 -7.742 1.00 0.00 C ATOM 0 H ALA A 278 -8.416 -3.540 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.397 -5.618 -5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.161 -7.060 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.206 -5.634 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -9.014 -5.684 -8.774 1.00 0.00 H new ATOM 889 N ASN A 279 -6.456 -7.048 -6.648 1.00 0.00 N ATOM 890 CA ASN A 279 -5.155 -7.658 -6.894 1.00 0.00 C ATOM 891 C ASN A 279 -5.114 -8.316 -8.271 1.00 0.00 C ATOM 892 O ASN A 279 -4.768 -9.491 -8.400 1.00 0.00 O ATOM 893 CB ASN A 279 -4.842 -8.694 -5.813 1.00 0.00 C ATOM 894 CG ASN A 279 -5.255 -8.229 -4.430 1.00 0.00 C ATOM 895 OD1 ASN A 279 -5.163 -7.044 -4.108 1.00 0.00 O ATOM 896 ND2 ASN A 279 -5.714 -9.163 -3.604 1.00 0.00 N ATOM 0 H ASN A 279 -7.076 -7.601 -6.056 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.401 -6.871 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.355 -9.627 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -3.773 -8.908 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -6.007 -8.910 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -5.773 -10.133 -3.913 1.00 0.00 H new ATOM 903 N LEU A 280 -5.469 -7.550 -9.297 1.00 0.00 N ATOM 904 CA LEU A 280 -5.472 -8.057 -10.664 1.00 0.00 C ATOM 905 C LEU A 280 -4.581 -7.206 -11.563 1.00 0.00 C ATOM 906 O LEU A 280 -5.068 -6.372 -12.327 1.00 0.00 O ATOM 907 CB LEU A 280 -6.899 -8.081 -11.217 1.00 0.00 C ATOM 908 CG LEU A 280 -7.706 -9.348 -10.935 1.00 0.00 C ATOM 909 CD1 LEU A 280 -6.992 -10.571 -11.488 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.952 -9.503 -9.441 1.00 0.00 C ATOM 0 H LEU A 280 -5.758 -6.576 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 280 -5.077 -9.073 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.441 -7.230 -10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.852 -7.937 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.670 -9.259 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -7.582 -11.463 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -6.868 -10.464 -12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -6.013 -10.664 -11.018 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.528 -10.410 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.997 -9.569 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -8.508 -8.641 -9.072 1.00 0.00 H new ATOM 922 N CYS A 281 -3.274 -7.423 -11.467 1.00 0.00 N ATOM 923 CA CYS A 281 -2.313 -6.677 -12.272 1.00 0.00 C ATOM 924 C CYS A 281 -2.060 -7.378 -13.604 1.00 0.00 C ATOM 925 O CYS A 281 -1.549 -8.497 -13.642 1.00 0.00 O ATOM 926 CB CYS A 281 -0.997 -6.513 -11.511 1.00 0.00 C ATOM 927 SG CYS A 281 0.127 -5.271 -12.227 1.00 0.00 S ATOM 0 H CYS A 281 -2.855 -8.110 -10.840 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.733 -5.691 -12.474 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.218 -6.236 -10.480 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.486 -7.475 -11.480 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.564 -4.259 -12.661 1.00 0.00 H new ATOM 932 N GLY A 282 -2.420 -6.711 -14.696 1.00 0.00 N ATOM 933 CA GLY A 282 -2.224 -7.284 -16.014 1.00 0.00 C ATOM 934 C GLY A 282 -3.508 -7.834 -16.604 1.00 0.00 C ATOM 935 O GLY A 282 -3.684 -7.844 -17.823 1.00 0.00 O ATOM 0 H GLY A 282 -2.844 -5.783 -14.691 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.818 -6.523 -16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.484 -8.082 -15.953 1.00 0.00 H new ATOM 939 N ILE A 283 -4.405 -8.294 -15.739 1.00 0.00 N ATOM 940 CA ILE A 283 -5.678 -8.849 -16.182 1.00 0.00 C ATOM 941 C ILE A 283 -6.702 -7.746 -16.428 1.00 0.00 C ATOM 942 O ILE A 283 -6.965 -7.373 -17.570 1.00 0.00 O ATOM 943 CB ILE A 283 -6.248 -9.843 -15.153 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.285 -11.017 -14.958 1.00 0.00 C ATOM 945 CG2 ILE A 283 -7.615 -10.340 -15.597 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.143 -10.712 -14.015 1.00 0.00 C ATOM 0 H ILE A 283 -4.274 -8.293 -14.727 1.00 0.00 H new ATOM 0 HA ILE A 283 -5.484 -9.377 -17.116 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.363 -9.329 -14.199 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -5.841 -11.873 -14.577 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -4.878 -11.307 -15.927 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -8.004 -11.042 -14.859 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -8.297 -9.495 -15.689 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -7.525 -10.840 -16.561 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.502 -11.589 -13.925 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -3.562 -9.876 -14.405 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.541 -10.451 -13.034 1.00 0.00 H new ATOM 958 N ASN A 284 -7.277 -7.229 -15.347 1.00 0.00 N ATOM 959 CA ASN A 284 -8.272 -6.167 -15.445 1.00 0.00 C ATOM 960 C ASN A 284 -7.608 -4.794 -15.416 1.00 0.00 C ATOM 961 O ASN A 284 -7.800 -4.020 -14.479 1.00 0.00 O ATOM 962 CB ASN A 284 -9.283 -6.281 -14.302 1.00 0.00 C ATOM 963 CG ASN A 284 -10.545 -5.480 -14.565 1.00 0.00 C ATOM 964 OD1 ASN A 284 -10.731 -4.934 -15.652 1.00 0.00 O ATOM 965 ND2 ASN A 284 -11.418 -5.408 -13.567 1.00 0.00 N ATOM 0 H ASN A 284 -7.071 -7.528 -14.394 1.00 0.00 H new ATOM 0 HA ASN A 284 -8.793 -6.278 -16.396 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -9.545 -7.329 -14.155 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -8.822 -5.935 -13.377 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -12.285 -4.884 -13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -11.222 -5.877 -12.683 1.00 0.00 H new