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 239 TYR OH : rot -120:sc= -0.408 USER MOD Set 1.2: A 268 ASN : amide:sc= -4.58! C(o=-5!,f=-8.2!) USER MOD Set 2.1: A 245 CYS SG : rot -30:sc= 0.0237 USER MOD Set 2.2: A 248 CYS SG : rot -72:sc= 1.07 USER MOD Set 2.3: A 250 THR OG1 : rot -89:sc= 0.845 USER MOD Set 2.4: A 270 HIS : no HE2:sc= -0.172 X(o=0.19,f=-0.13) USER MOD Set 2.5: A 273 CYS SG : rot -163:sc= -1.58 USER MOD Set 3.1: A 232 HIS : no HD1:sc= -0.234 K(o=-9.9,f=-11) USER MOD Set 3.2: A 262 CYS SG : rot 160:sc= -1.85 USER MOD Set 3.3: A 265 CYS SG : rot -52:sc= 0.114 USER MOD Set 3.4: A 267 MET CE :methyl -157:sc= -3.74! (180deg=-5.51!) USER MOD Set 3.5: A 281 CYS SG : rot 135:sc= -4.21! USER MOD Single : A 230 MET CE :methyl -109:sc= -0.65 (180deg=-2.23!) 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= 0 X(o=0,f=-0.047) USER MOD Single : A 240 LYS NZ :NH3+ 156:sc= -1.08 (180deg=-2.11!) USER MOD Single : A 241 SER OG : rot -16:sc= 0.541 USER MOD Single : A 243 THR OG1 : rot 136:sc= 0.57 USER MOD Single : A 247 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-9!) USER MOD Single : A 258 GLN : amide:sc= -9.94! C(o=-9.9!,f=-8.8!) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 HIS : no HD1:sc= -0.908 K(o=-0.91,f=-0.34) USER MOD Single : A 274 GLN : amide:sc= -0.56 K(o=-0.56,f=-2.5) USER MOD Single : A 275 THR OG1 : rot -34:sc= 1.02 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc= -0.0346 K(o=-0.035,f=-4.5!) USER MOD Single : A 284 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -3.380 -14.398 -8.938 1.00 0.00 N ATOM 108 CA ASP A 229 -3.739 -13.031 -8.579 1.00 0.00 C ATOM 109 C ASP A 229 -2.560 -12.313 -7.928 1.00 0.00 C ATOM 110 O ASP A 229 -2.136 -12.667 -6.828 1.00 0.00 O ATOM 111 CB ASP A 229 -4.939 -13.029 -7.632 1.00 0.00 C ATOM 112 CG ASP A 229 -4.819 -14.075 -6.541 1.00 0.00 C ATOM 113 OD1 ASP A 229 -3.839 -14.018 -5.769 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.705 -14.951 -6.459 1.00 0.00 O ATOM 0 HA ASP A 229 -4.006 -12.499 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -5.037 -12.043 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -5.849 -13.208 -8.204 1.00 0.00 H new ATOM 119 N MET A 230 -2.036 -11.304 -8.616 1.00 0.00 N ATOM 120 CA MET A 230 -0.906 -10.537 -8.104 1.00 0.00 C ATOM 121 C MET A 230 -1.290 -9.075 -7.901 1.00 0.00 C ATOM 122 O MET A 230 -2.049 -8.494 -8.676 1.00 0.00 O ATOM 123 CB MET A 230 0.282 -10.636 -9.063 1.00 0.00 C ATOM 124 CG MET A 230 1.115 -11.893 -8.871 1.00 0.00 C ATOM 125 SD MET A 230 2.164 -11.813 -7.407 1.00 0.00 S ATOM 126 CE MET A 230 1.155 -12.696 -6.219 1.00 0.00 C ATOM 0 H MET A 230 -2.375 -10.999 -9.528 1.00 0.00 H new ATOM 0 HA MET A 230 -0.621 -10.957 -7.140 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.086 -10.607 -10.089 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.921 -9.763 -8.929 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.452 -12.755 -8.792 1.00 0.00 H new ATOM 0 HG3 MET A 230 1.738 -12.050 -9.752 1.00 0.00 H new ATOM 0 HE1 MET A 230 0.759 -11.994 -5.485 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.329 -13.185 -6.735 1.00 0.00 H new ATOM 0 HE3 MET A 230 1.762 -13.447 -5.713 1.00 0.00 H new ATOM 136 N PRO A 231 -0.754 -8.464 -6.833 1.00 0.00 N ATOM 137 CA PRO A 231 -1.027 -7.062 -6.504 1.00 0.00 C ATOM 138 C PRO A 231 -0.388 -6.098 -7.498 1.00 0.00 C ATOM 139 O PRO A 231 0.372 -6.509 -8.376 1.00 0.00 O ATOM 140 CB PRO A 231 -0.398 -6.895 -5.118 1.00 0.00 C ATOM 141 CG PRO A 231 0.667 -7.934 -5.057 1.00 0.00 C ATOM 142 CD PRO A 231 0.159 -9.096 -5.866 1.00 0.00 C ATOM 0 HA PRO A 231 -2.093 -6.836 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.017 -5.895 -4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.136 -7.038 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.605 -7.556 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.863 -8.232 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.971 -9.624 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.358 -9.825 -5.242 1.00 0.00 H new ATOM 150 N HIS A 232 -0.701 -4.814 -7.355 1.00 0.00 N ATOM 151 CA HIS A 232 -0.156 -3.791 -8.240 1.00 0.00 C ATOM 152 C HIS A 232 1.171 -3.261 -7.706 1.00 0.00 C ATOM 153 O HIS A 232 1.247 -2.775 -6.578 1.00 0.00 O ATOM 154 CB HIS A 232 -1.151 -2.642 -8.400 1.00 0.00 C ATOM 155 CG HIS A 232 -2.375 -3.012 -9.180 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.373 -3.178 -10.549 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.644 -3.252 -8.775 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.588 -3.501 -10.953 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.379 -3.553 -9.896 1.00 0.00 N ATOM 0 H HIS A 232 -1.329 -4.457 -6.635 1.00 0.00 H new ATOM 0 HA HIS A 232 0.021 -4.246 -9.215 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.452 -2.293 -7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.653 -1.808 -8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.010 -3.214 -7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.885 -3.690 -11.974 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.373 -3.780 -9.910 1.00 0.00 H new ATOM 167 N ARG A 233 2.214 -3.358 -8.524 1.00 0.00 N ATOM 168 CA ARG A 233 3.538 -2.890 -8.132 1.00 0.00 C ATOM 169 C ARG A 233 3.570 -1.367 -8.039 1.00 0.00 C ATOM 170 O ARG A 233 4.195 -0.697 -8.862 1.00 0.00 O ATOM 171 CB ARG A 233 4.590 -3.372 -9.133 1.00 0.00 C ATOM 172 CG ARG A 233 5.035 -4.808 -8.905 1.00 0.00 C ATOM 173 CD ARG A 233 6.381 -5.084 -9.555 1.00 0.00 C ATOM 174 NE ARG A 233 6.792 -6.476 -9.394 1.00 0.00 N ATOM 175 CZ ARG A 233 7.781 -7.035 -10.083 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.456 -6.324 -10.975 1.00 0.00 N ATOM 177 NH2 ARG A 233 8.096 -8.308 -9.879 1.00 0.00 N ATOM 0 H ARG A 233 2.168 -3.756 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 233 3.766 -3.303 -7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.188 -3.281 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.460 -2.718 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 233 5.100 -5.004 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.288 -5.490 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.327 -4.843 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 233 7.136 -4.430 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 233 6.292 -7.051 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 233 8.217 -5.345 -11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.215 -6.756 -11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.579 -8.858 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.855 -8.737 -10.408 1.00 0.00 H new ATOM 191 N PHE A 234 2.893 -0.827 -7.031 1.00 0.00 N ATOM 192 CA PHE A 234 2.843 0.616 -6.830 1.00 0.00 C ATOM 193 C PHE A 234 4.186 1.143 -6.334 1.00 0.00 C ATOM 194 O PHE A 234 4.836 0.525 -5.490 1.00 0.00 O ATOM 195 CB PHE A 234 1.741 0.976 -5.831 1.00 0.00 C ATOM 196 CG PHE A 234 0.354 0.803 -6.381 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.070 1.545 -7.471 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.525 -0.101 -5.807 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.346 1.389 -7.980 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.802 -0.262 -6.312 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.213 0.484 -7.399 1.00 0.00 C ATOM 0 H PHE A 234 2.371 -1.367 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 234 2.621 1.083 -7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.851 0.355 -4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.872 2.011 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.604 2.254 -7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.209 -0.686 -4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.664 1.974 -8.830 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.478 -0.971 -5.857 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.210 0.360 -7.794 1.00 0.00 H new ATOM 211 N LYS A 235 4.598 2.290 -6.864 1.00 0.00 N ATOM 212 CA LYS A 235 5.863 2.903 -6.477 1.00 0.00 C ATOM 213 C LYS A 235 5.834 4.409 -6.719 1.00 0.00 C ATOM 214 O LYS A 235 5.601 4.863 -7.839 1.00 0.00 O ATOM 215 CB LYS A 235 7.019 2.272 -7.256 1.00 0.00 C ATOM 216 CG LYS A 235 7.200 0.789 -6.981 1.00 0.00 C ATOM 217 CD LYS A 235 7.644 0.538 -5.550 1.00 0.00 C ATOM 218 CE LYS A 235 9.045 1.075 -5.298 1.00 0.00 C ATOM 219 NZ LYS A 235 9.666 0.460 -4.093 1.00 0.00 N ATOM 0 H LYS A 235 4.073 2.814 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 235 6.013 2.727 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.849 2.417 -8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.942 2.795 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.262 0.266 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.938 0.378 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 235 6.943 1.011 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 235 7.621 -0.532 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 235 9.671 0.880 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 235 9.002 2.157 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 10.619 0.852 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.082 0.668 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.731 -0.570 -4.223 1.00 0.00 H new ATOM 233 N VAL A 236 6.075 5.178 -5.662 1.00 0.00 N ATOM 234 CA VAL A 236 6.079 6.633 -5.761 1.00 0.00 C ATOM 235 C VAL A 236 7.054 7.108 -6.833 1.00 0.00 C ATOM 236 O VAL A 236 8.194 6.646 -6.898 1.00 0.00 O ATOM 237 CB VAL A 236 6.453 7.285 -4.417 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.566 8.795 -4.569 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.433 6.924 -3.348 1.00 0.00 C ATOM 0 H VAL A 236 6.270 4.818 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 236 5.068 6.935 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 236 7.424 6.901 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 236 6.831 9.238 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.337 9.030 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.611 9.199 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.713 7.393 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.448 7.278 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.407 5.842 -3.221 1.00 0.00 H new ATOM 249 N TYR A 237 6.599 8.033 -7.670 1.00 0.00 N ATOM 250 CA TYR A 237 7.431 8.570 -8.741 1.00 0.00 C ATOM 251 C TYR A 237 7.160 10.057 -8.947 1.00 0.00 C ATOM 252 O TYR A 237 6.153 10.587 -8.479 1.00 0.00 O ATOM 253 CB TYR A 237 7.176 7.809 -10.043 1.00 0.00 C ATOM 254 CG TYR A 237 8.033 8.278 -11.196 1.00 0.00 C ATOM 255 CD1 TYR A 237 9.407 8.068 -11.198 1.00 0.00 C ATOM 256 CD2 TYR A 237 7.470 8.932 -12.285 1.00 0.00 C ATOM 257 CE1 TYR A 237 10.194 8.496 -12.250 1.00 0.00 C ATOM 258 CE2 TYR A 237 8.249 9.363 -13.342 1.00 0.00 C ATOM 259 CZ TYR A 237 9.610 9.143 -13.319 1.00 0.00 C ATOM 260 OH TYR A 237 10.390 9.570 -14.369 1.00 0.00 O ATOM 0 H TYR A 237 5.659 8.427 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 237 8.475 8.446 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.357 6.747 -9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 237 6.126 7.914 -10.316 1.00 0.00 H new ATOM 0 HD1 TYR A 237 9.868 7.561 -10.363 1.00 0.00 H new ATOM 0 HD2 TYR A 237 6.404 9.107 -12.306 1.00 0.00 H new ATOM 0 HE1 TYR A 237 11.260 8.325 -12.235 1.00 0.00 H new ATOM 0 HE2 TYR A 237 7.795 9.869 -14.181 1.00 0.00 H new ATOM 0 HH TYR A 237 9.825 10.006 -15.041 1.00 0.00 H new ATOM 270 N ASN A 238 8.068 10.725 -9.652 1.00 0.00 N ATOM 271 CA ASN A 238 7.929 12.151 -9.921 1.00 0.00 C ATOM 272 C ASN A 238 7.207 12.387 -11.245 1.00 0.00 C ATOM 273 O ASN A 238 7.624 11.885 -12.289 1.00 0.00 O ATOM 274 CB ASN A 238 9.303 12.823 -9.950 1.00 0.00 C ATOM 275 CG ASN A 238 9.276 14.165 -10.655 1.00 0.00 C ATOM 276 OD1 ASN A 238 8.488 15.045 -10.308 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.140 14.328 -11.651 1.00 0.00 N ATOM 0 H ASN A 238 8.908 10.301 -10.047 1.00 0.00 H new ATOM 0 HA ASN A 238 7.335 12.590 -9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 238 9.659 12.959 -8.929 1.00 0.00 H new ATOM 0 HB3 ASN A 238 10.015 12.167 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.168 15.210 -12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.775 13.571 -11.904 1.00 0.00 H new ATOM 284 N TYR A 239 6.124 13.155 -11.193 1.00 0.00 N ATOM 285 CA TYR A 239 5.344 13.456 -12.387 1.00 0.00 C ATOM 286 C TYR A 239 5.649 14.861 -12.897 1.00 0.00 C ATOM 287 O TYR A 239 6.411 15.607 -12.281 1.00 0.00 O ATOM 288 CB TYR A 239 3.849 13.323 -12.091 1.00 0.00 C ATOM 289 CG TYR A 239 3.310 11.927 -12.310 1.00 0.00 C ATOM 290 CD1 TYR A 239 4.151 10.822 -12.264 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.961 11.714 -12.563 1.00 0.00 C ATOM 292 CE1 TYR A 239 3.663 9.545 -12.465 1.00 0.00 C ATOM 293 CE2 TYR A 239 1.464 10.441 -12.763 1.00 0.00 C ATOM 294 CZ TYR A 239 2.319 9.359 -12.713 1.00 0.00 C ATOM 295 OH TYR A 239 1.829 8.089 -12.912 1.00 0.00 O ATOM 0 H TYR A 239 5.767 13.580 -10.337 1.00 0.00 H new ATOM 0 HA TYR A 239 5.620 12.740 -13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 239 3.664 13.617 -11.058 1.00 0.00 H new ATOM 0 HB3 TYR A 239 3.299 14.019 -12.724 1.00 0.00 H new ATOM 0 HD1 TYR A 239 5.204 10.964 -12.068 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.289 12.558 -12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 239 4.331 8.697 -12.428 1.00 0.00 H new ATOM 0 HE2 TYR A 239 0.412 10.293 -12.957 1.00 0.00 H new ATOM 0 HH TYR A 239 1.422 8.031 -13.802 1.00 0.00 H new ATOM 305 N LYS A 240 5.049 15.216 -14.028 1.00 0.00 N ATOM 306 CA LYS A 240 5.254 16.531 -14.624 1.00 0.00 C ATOM 307 C LYS A 240 3.920 17.185 -14.970 1.00 0.00 C ATOM 308 O LYS A 240 3.880 18.239 -15.605 1.00 0.00 O ATOM 309 CB LYS A 240 6.119 16.416 -15.881 1.00 0.00 C ATOM 310 CG LYS A 240 7.303 15.478 -15.720 1.00 0.00 C ATOM 311 CD LYS A 240 8.446 16.146 -14.975 1.00 0.00 C ATOM 312 CE LYS A 240 9.371 16.892 -15.926 1.00 0.00 C ATOM 313 NZ LYS A 240 8.727 18.115 -16.480 1.00 0.00 N ATOM 0 H LYS A 240 4.416 14.611 -14.551 1.00 0.00 H new ATOM 0 HA LYS A 240 5.767 17.157 -13.894 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.500 16.068 -16.708 1.00 0.00 H new ATOM 0 HB3 LYS A 240 6.485 17.406 -16.152 1.00 0.00 H new ATOM 0 HG2 LYS A 240 6.989 14.584 -15.181 1.00 0.00 H new ATOM 0 HG3 LYS A 240 7.648 15.154 -16.702 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.044 16.840 -14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 240 9.014 15.394 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 240 10.285 17.169 -15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.661 16.232 -16.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 9.461 18.791 -16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 8.144 17.858 -17.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 8.125 18.551 -15.752 1.00 0.00 H new ATOM 327 N SER A 241 2.829 16.553 -14.548 1.00 0.00 N ATOM 328 CA SER A 241 1.493 17.073 -14.815 1.00 0.00 C ATOM 329 C SER A 241 0.469 16.452 -13.870 1.00 0.00 C ATOM 330 O SER A 241 0.612 15.315 -13.419 1.00 0.00 O ATOM 331 CB SER A 241 1.097 16.797 -16.267 1.00 0.00 C ATOM 332 OG SER A 241 2.046 17.341 -17.167 1.00 0.00 O ATOM 0 H SER A 241 2.844 15.680 -14.020 1.00 0.00 H new ATOM 0 HA SER A 241 1.509 18.150 -14.648 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.015 15.722 -16.427 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.115 17.225 -16.467 1.00 0.00 H new ATOM 0 HG SER A 241 2.607 17.992 -16.697 1.00 0.00 H new ATOM 338 N PRO A 242 -0.590 17.216 -13.562 1.00 0.00 N ATOM 339 CA PRO A 242 -1.659 16.762 -12.668 1.00 0.00 C ATOM 340 C PRO A 242 -2.511 15.663 -13.293 1.00 0.00 C ATOM 341 O PRO A 242 -3.218 15.893 -14.275 1.00 0.00 O ATOM 342 CB PRO A 242 -2.495 18.025 -12.446 1.00 0.00 C ATOM 343 CG PRO A 242 -2.243 18.863 -13.651 1.00 0.00 C ATOM 344 CD PRO A 242 -0.824 18.580 -14.063 1.00 0.00 C ATOM 0 HA PRO A 242 -1.265 16.327 -11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.554 17.786 -12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.196 18.542 -11.534 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.939 18.614 -14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.381 19.921 -13.427 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.700 18.638 -15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.128 19.295 -13.624 1.00 0.00 H new ATOM 352 N THR A 243 -2.439 14.466 -12.719 1.00 0.00 N ATOM 353 CA THR A 243 -3.203 13.330 -13.221 1.00 0.00 C ATOM 354 C THR A 243 -4.458 13.100 -12.388 1.00 0.00 C ATOM 355 O THR A 243 -4.582 13.619 -11.278 1.00 0.00 O ATOM 356 CB THR A 243 -2.358 12.042 -13.223 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.080 12.295 -13.817 1.00 0.00 O ATOM 358 CG2 THR A 243 -3.066 10.932 -13.985 1.00 0.00 C ATOM 0 H THR A 243 -1.859 14.258 -11.906 1.00 0.00 H new ATOM 0 HA THR A 243 -3.489 13.569 -14.245 1.00 0.00 H new ATOM 0 HB THR A 243 -2.221 11.722 -12.190 1.00 0.00 H new ATOM 0 HG1 THR A 243 -0.379 11.876 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.450 10.033 -13.973 1.00 0.00 H new ATOM 0 HG22 THR A 243 -4.026 10.721 -13.513 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.230 11.246 -15.016 1.00 0.00 H new ATOM 366 N PHE A 244 -5.387 12.320 -12.929 1.00 0.00 N ATOM 367 CA PHE A 244 -6.634 12.021 -12.234 1.00 0.00 C ATOM 368 C PHE A 244 -6.687 10.554 -11.818 1.00 0.00 C ATOM 369 O PHE A 244 -6.509 9.656 -12.642 1.00 0.00 O ATOM 370 CB PHE A 244 -7.832 12.354 -13.126 1.00 0.00 C ATOM 371 CG PHE A 244 -7.825 13.766 -13.636 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.004 14.133 -14.690 1.00 0.00 C ATOM 373 CD2 PHE A 244 -8.641 14.728 -13.062 1.00 0.00 C ATOM 374 CE1 PHE A 244 -6.996 15.432 -15.161 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.637 16.029 -13.529 1.00 0.00 C ATOM 376 CZ PHE A 244 -7.814 16.381 -14.580 1.00 0.00 C ATOM 0 H PHE A 244 -5.300 11.883 -13.847 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.677 12.636 -11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.844 11.670 -13.974 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.751 12.183 -12.565 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.363 13.395 -15.149 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.288 14.458 -12.240 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -6.351 15.705 -15.983 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -9.277 16.769 -13.072 1.00 0.00 H new ATOM 0 HZ PHE A 244 -7.810 17.397 -14.947 1.00 0.00 H new ATOM 386 N CYS A 245 -6.933 10.318 -10.534 1.00 0.00 N ATOM 387 CA CYS A 245 -7.009 8.961 -10.007 1.00 0.00 C ATOM 388 C CYS A 245 -7.980 8.113 -10.823 1.00 0.00 C ATOM 389 O CYS A 245 -9.090 8.547 -11.131 1.00 0.00 O ATOM 390 CB CYS A 245 -7.445 8.985 -8.540 1.00 0.00 C ATOM 391 SG CYS A 245 -7.020 7.475 -7.613 1.00 0.00 S ATOM 0 H CYS A 245 -7.083 11.049 -9.839 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.017 8.515 -10.078 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -6.984 9.842 -8.049 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.524 9.135 -8.495 1.00 0.00 H new ATOM 0 HG CYS A 245 -7.017 6.456 -8.421 1.00 0.00 H new ATOM 396 N GLU A 246 -7.554 6.903 -11.170 1.00 0.00 N ATOM 397 CA GLU A 246 -8.385 5.995 -11.952 1.00 0.00 C ATOM 398 C GLU A 246 -9.318 5.197 -11.046 1.00 0.00 C ATOM 399 O GLU A 246 -9.978 4.256 -11.490 1.00 0.00 O ATOM 400 CB GLU A 246 -7.511 5.042 -12.769 1.00 0.00 C ATOM 401 CG GLU A 246 -7.070 5.615 -14.105 1.00 0.00 C ATOM 402 CD GLU A 246 -5.969 4.799 -14.755 1.00 0.00 C ATOM 403 OE1 GLU A 246 -4.784 5.066 -14.469 1.00 0.00 O ATOM 404 OE2 GLU A 246 -6.295 3.892 -15.551 1.00 0.00 O ATOM 0 H GLU A 246 -6.638 6.529 -10.922 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.990 6.593 -12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.628 4.782 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.061 4.117 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.927 5.662 -14.777 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -6.722 6.638 -13.960 1.00 0.00 H new ATOM 411 N HIS A 247 -9.368 5.578 -9.774 1.00 0.00 N ATOM 412 CA HIS A 247 -10.220 4.898 -8.804 1.00 0.00 C ATOM 413 C HIS A 247 -11.246 5.860 -8.214 1.00 0.00 C ATOM 414 O HIS A 247 -12.437 5.774 -8.513 1.00 0.00 O ATOM 415 CB HIS A 247 -9.372 4.289 -7.687 1.00 0.00 C ATOM 416 CG HIS A 247 -10.176 3.561 -6.654 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.585 2.252 -6.804 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.645 3.965 -5.451 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.272 1.883 -5.738 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.323 2.904 -4.901 1.00 0.00 N ATOM 0 H HIS A 247 -8.829 6.354 -9.390 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.752 4.100 -9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.649 3.600 -8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.803 5.081 -7.201 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.388 1.661 -7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.511 4.940 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.716 0.912 -5.578 1.00 0.00 H new ATOM 428 N CYS A 248 -10.776 6.776 -7.373 1.00 0.00 N ATOM 429 CA CYS A 248 -11.652 7.754 -6.739 1.00 0.00 C ATOM 430 C CYS A 248 -12.057 8.843 -7.728 1.00 0.00 C ATOM 431 O CYS A 248 -13.133 9.429 -7.616 1.00 0.00 O ATOM 432 CB CYS A 248 -10.958 8.381 -5.528 1.00 0.00 C ATOM 433 SG CYS A 248 -9.575 9.487 -5.954 1.00 0.00 S ATOM 0 H CYS A 248 -9.793 6.861 -7.115 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.552 7.237 -6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.693 8.942 -4.951 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.587 7.585 -4.883 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.567 8.780 -6.372 1.00 0.00 H new ATOM 438 N GLY A 249 -11.187 9.108 -8.698 1.00 0.00 N ATOM 439 CA GLY A 249 -11.471 10.125 -9.692 1.00 0.00 C ATOM 440 C GLY A 249 -11.309 11.531 -9.147 1.00 0.00 C ATOM 441 O GLY A 249 -12.196 12.371 -9.301 1.00 0.00 O ATOM 0 H GLY A 249 -10.290 8.636 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.806 9.991 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.489 9.996 -10.058 1.00 0.00 H new ATOM 445 N THR A 250 -10.174 11.788 -8.505 1.00 0.00 N ATOM 446 CA THR A 250 -9.899 13.099 -7.933 1.00 0.00 C ATOM 447 C THR A 250 -8.466 13.534 -8.216 1.00 0.00 C ATOM 448 O THR A 250 -7.544 12.717 -8.202 1.00 0.00 O ATOM 449 CB THR A 250 -10.135 13.108 -6.411 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.130 12.328 -5.754 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.513 12.558 -6.073 1.00 0.00 C ATOM 0 H THR A 250 -9.430 11.104 -8.368 1.00 0.00 H new ATOM 0 HA THR A 250 -10.588 13.800 -8.405 1.00 0.00 H new ATOM 0 HB THR A 250 -10.078 14.140 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.422 11.394 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.656 12.574 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.277 13.172 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.594 11.533 -6.434 1.00 0.00 H new ATOM 459 N LEU A 251 -8.284 14.825 -8.471 1.00 0.00 N ATOM 460 CA LEU A 251 -6.960 15.369 -8.757 1.00 0.00 C ATOM 461 C LEU A 251 -5.939 14.881 -7.735 1.00 0.00 C ATOM 462 O LEU A 251 -6.296 14.488 -6.623 1.00 0.00 O ATOM 463 CB LEU A 251 -7.006 16.898 -8.761 1.00 0.00 C ATOM 464 CG LEU A 251 -7.500 17.551 -10.051 1.00 0.00 C ATOM 465 CD1 LEU A 251 -7.769 19.032 -9.831 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.490 17.352 -11.172 1.00 0.00 C ATOM 0 H LEU A 251 -9.036 15.514 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.655 15.019 -9.743 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.648 17.224 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.005 17.272 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.435 17.072 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.120 19.480 -10.761 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -8.530 19.153 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -6.850 19.526 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.859 17.824 -12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.539 17.804 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.347 16.286 -11.348 1.00 0.00 H new ATOM 478 N LEU A 252 -4.667 14.912 -8.116 1.00 0.00 N ATOM 479 CA LEU A 252 -3.592 14.475 -7.232 1.00 0.00 C ATOM 480 C LEU A 252 -2.770 15.665 -6.745 1.00 0.00 C ATOM 481 O LEU A 252 -1.875 16.140 -7.444 1.00 0.00 O ATOM 482 CB LEU A 252 -2.686 13.475 -7.952 1.00 0.00 C ATOM 483 CG LEU A 252 -3.099 12.006 -7.859 1.00 0.00 C ATOM 484 CD1 LEU A 252 -4.457 11.791 -8.510 1.00 0.00 C ATOM 485 CD2 LEU A 252 -2.049 11.114 -8.504 1.00 0.00 C ATOM 0 H LEU A 252 -4.354 15.235 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.042 13.989 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.638 13.752 -9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -1.678 13.574 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 252 -3.177 11.737 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -4.734 10.740 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -5.204 12.401 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -4.407 12.078 -9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -2.360 10.072 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -1.938 11.384 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -1.096 11.246 -7.992 1.00 0.00 H new ATOM 497 N TRP A 253 -3.079 16.138 -5.544 1.00 0.00 N ATOM 498 CA TRP A 253 -2.367 17.271 -4.963 1.00 0.00 C ATOM 499 C TRP A 253 -0.859 17.049 -5.011 1.00 0.00 C ATOM 500 O TRP A 253 -0.148 17.716 -5.761 1.00 0.00 O ATOM 501 CB TRP A 253 -2.816 17.495 -3.518 1.00 0.00 C ATOM 502 CG TRP A 253 -4.015 18.387 -3.400 1.00 0.00 C ATOM 503 CD1 TRP A 253 -5.324 18.022 -3.535 1.00 0.00 C ATOM 504 CD2 TRP A 253 -4.015 19.792 -3.125 1.00 0.00 C ATOM 505 NE1 TRP A 253 -6.137 19.115 -3.361 1.00 0.00 N ATOM 506 CE2 TRP A 253 -5.359 20.213 -3.107 1.00 0.00 C ATOM 507 CE3 TRP A 253 -3.010 20.734 -2.890 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -5.721 21.536 -2.865 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -3.371 22.047 -2.650 1.00 0.00 C ATOM 510 CH2 TRP A 253 -4.717 22.437 -2.638 1.00 0.00 C ATOM 0 H TRP A 253 -3.817 15.755 -4.953 1.00 0.00 H new ATOM 0 HA TRP A 253 -2.604 18.157 -5.551 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.043 16.531 -3.062 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -1.992 17.929 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -5.669 17.021 -3.747 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -7.156 19.110 -3.413 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -1.970 20.442 -2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -6.757 21.840 -2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -2.603 22.784 -2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -4.967 23.470 -2.446 1.00 0.00 H new ATOM 521 N GLY A 254 -0.378 16.107 -4.206 1.00 0.00 N ATOM 522 CA GLY A 254 1.043 15.814 -4.173 1.00 0.00 C ATOM 523 C GLY A 254 1.659 15.772 -5.558 1.00 0.00 C ATOM 524 O GLY A 254 1.066 15.233 -6.493 1.00 0.00 O ATOM 0 H GLY A 254 -0.947 15.541 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.553 16.569 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.202 14.855 -3.679 1.00 0.00 H new ATOM 528 N LEU A 255 2.851 16.344 -5.691 1.00 0.00 N ATOM 529 CA LEU A 255 3.547 16.372 -6.973 1.00 0.00 C ATOM 530 C LEU A 255 4.658 15.327 -7.012 1.00 0.00 C ATOM 531 O LEU A 255 4.522 14.286 -7.655 1.00 0.00 O ATOM 532 CB LEU A 255 4.130 17.762 -7.229 1.00 0.00 C ATOM 533 CG LEU A 255 3.185 18.778 -7.872 1.00 0.00 C ATOM 534 CD1 LEU A 255 2.444 18.152 -9.042 1.00 0.00 C ATOM 535 CD2 LEU A 255 2.202 19.318 -6.843 1.00 0.00 C ATOM 0 H LEU A 255 3.355 16.794 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 255 2.825 16.138 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.477 18.169 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.006 17.655 -7.869 1.00 0.00 H new ATOM 0 HG LEU A 255 3.780 19.610 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 255 1.776 18.890 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 255 3.162 17.815 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 255 1.861 17.301 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 255 1.537 20.040 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 255 1.613 18.496 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 255 2.750 19.806 -6.037 1.00 0.00 H new ATOM 547 N ALA A 256 5.754 15.611 -6.317 1.00 0.00 N ATOM 548 CA ALA A 256 6.887 14.694 -6.269 1.00 0.00 C ATOM 549 C ALA A 256 6.429 13.273 -5.960 1.00 0.00 C ATOM 550 O ALA A 256 7.117 12.305 -6.285 1.00 0.00 O ATOM 551 CB ALA A 256 7.900 15.161 -5.234 1.00 0.00 C ATOM 0 H ALA A 256 5.882 16.468 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 256 7.362 14.690 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.740 14.467 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.258 16.156 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.428 15.195 -4.252 1.00 0.00 H new ATOM 557 N ARG A 257 5.265 13.154 -5.330 1.00 0.00 N ATOM 558 CA ARG A 257 4.717 11.850 -4.975 1.00 0.00 C ATOM 559 C ARG A 257 3.589 11.458 -5.925 1.00 0.00 C ATOM 560 O ARG A 257 3.471 10.298 -6.317 1.00 0.00 O ATOM 561 CB ARG A 257 4.204 11.864 -3.535 1.00 0.00 C ATOM 562 CG ARG A 257 3.393 10.632 -3.165 1.00 0.00 C ATOM 563 CD ARG A 257 2.731 10.788 -1.805 1.00 0.00 C ATOM 564 NE ARG A 257 3.711 10.877 -0.726 1.00 0.00 N ATOM 565 CZ ARG A 257 3.399 11.194 0.525 1.00 0.00 C ATOM 566 NH1 ARG A 257 2.141 11.452 0.854 1.00 0.00 N ATOM 567 NH2 ARG A 257 4.347 11.254 1.452 1.00 0.00 N ATOM 0 H ARG A 257 4.683 13.945 -5.055 1.00 0.00 H new ATOM 0 HA ARG A 257 5.515 11.112 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 257 5.053 11.947 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 257 3.589 12.752 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 257 2.631 10.456 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 257 4.043 9.757 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 257 2.110 11.684 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 257 2.069 9.941 -1.625 1.00 0.00 H new ATOM 0 HE ARG A 257 4.688 10.685 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 257 1.409 11.407 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 257 1.905 11.695 1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 257 5.316 11.056 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 257 4.106 11.498 2.413 1.00 0.00 H new ATOM 581 N GLN A 258 2.764 12.434 -6.290 1.00 0.00 N ATOM 582 CA GLN A 258 1.645 12.190 -7.193 1.00 0.00 C ATOM 583 C GLN A 258 1.058 10.800 -6.969 1.00 0.00 C ATOM 584 O GLN A 258 0.754 10.083 -7.921 1.00 0.00 O ATOM 585 CB GLN A 258 2.095 12.338 -8.648 1.00 0.00 C ATOM 586 CG GLN A 258 3.320 11.507 -8.993 1.00 0.00 C ATOM 587 CD GLN A 258 3.008 10.028 -9.112 1.00 0.00 C ATOM 588 OE1 GLN A 258 3.623 9.196 -8.444 1.00 0.00 O ATOM 589 NE2 GLN A 258 2.047 9.692 -9.964 1.00 0.00 N ATOM 0 H GLN A 258 2.849 13.400 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 258 0.872 12.929 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 258 1.274 12.050 -9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 258 2.310 13.388 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 258 3.742 11.862 -9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 258 4.081 11.653 -8.227 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.563 10.414 -10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 258 1.793 8.712 -10.085 1.00 0.00 H new ATOM 598 N GLY A 259 0.902 10.426 -5.702 1.00 0.00 N ATOM 599 CA GLY A 259 0.352 9.124 -5.376 1.00 0.00 C ATOM 600 C GLY A 259 1.307 7.993 -5.703 1.00 0.00 C ATOM 601 O GLY A 259 2.416 7.932 -5.169 1.00 0.00 O ATOM 0 H GLY A 259 1.147 11.002 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 259 0.106 9.092 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.579 8.979 -5.924 1.00 0.00 H new ATOM 605 N LEU A 260 0.877 7.093 -6.580 1.00 0.00 N ATOM 606 CA LEU A 260 1.702 5.957 -6.977 1.00 0.00 C ATOM 607 C LEU A 260 1.409 5.548 -8.417 1.00 0.00 C ATOM 608 O LEU A 260 0.314 5.782 -8.931 1.00 0.00 O ATOM 609 CB LEU A 260 1.458 4.773 -6.040 1.00 0.00 C ATOM 610 CG LEU A 260 1.614 5.057 -4.545 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.729 4.126 -3.730 1.00 0.00 C ATOM 612 CD2 LEU A 260 3.070 4.916 -4.125 1.00 0.00 C ATOM 0 H LEU A 260 -0.038 7.127 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 260 2.748 6.258 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.449 4.399 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.147 3.973 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 260 1.299 6.083 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.853 4.342 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.313 4.276 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.012 3.092 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.163 5.122 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.411 3.901 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.681 5.624 -4.685 1.00 0.00 H new ATOM 624 N LYS A 261 2.394 4.935 -9.065 1.00 0.00 N ATOM 625 CA LYS A 261 2.242 4.490 -10.445 1.00 0.00 C ATOM 626 C LYS A 261 2.757 3.064 -10.616 1.00 0.00 C ATOM 627 O LYS A 261 3.964 2.833 -10.686 1.00 0.00 O ATOM 628 CB LYS A 261 2.992 5.431 -11.391 1.00 0.00 C ATOM 629 CG LYS A 261 2.694 5.181 -12.859 1.00 0.00 C ATOM 630 CD LYS A 261 3.861 5.589 -13.742 1.00 0.00 C ATOM 631 CE LYS A 261 3.393 5.997 -15.131 1.00 0.00 C ATOM 632 NZ LYS A 261 4.537 6.226 -16.056 1.00 0.00 N ATOM 0 H LYS A 261 3.307 4.735 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 261 1.180 4.507 -10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.733 6.461 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.064 5.324 -11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.473 4.125 -13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.804 5.738 -13.151 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.396 6.418 -13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.565 4.760 -13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.746 5.221 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 261 2.795 6.906 -15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.177 6.502 -16.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 5.141 6.984 -15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.093 5.352 -16.143 1.00 0.00 H new ATOM 646 N CYS A 262 1.834 2.111 -10.685 1.00 0.00 N ATOM 647 CA CYS A 262 2.193 0.708 -10.850 1.00 0.00 C ATOM 648 C CYS A 262 3.292 0.547 -11.896 1.00 0.00 C ATOM 649 O CYS A 262 3.217 1.119 -12.983 1.00 0.00 O ATOM 650 CB CYS A 262 0.965 -0.111 -11.254 1.00 0.00 C ATOM 651 SG CYS A 262 1.080 -1.880 -10.835 1.00 0.00 S ATOM 0 H CYS A 262 0.831 2.285 -10.629 1.00 0.00 H new ATOM 0 HA CYS A 262 2.568 0.340 -9.895 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.085 0.310 -10.768 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.813 -0.012 -12.329 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.112 -2.397 -10.806 1.00 0.00 H new ATOM 656 N ASP A 263 4.311 -0.236 -11.559 1.00 0.00 N ATOM 657 CA ASP A 263 5.426 -0.474 -12.470 1.00 0.00 C ATOM 658 C ASP A 263 5.169 -1.706 -13.332 1.00 0.00 C ATOM 659 O ASP A 263 6.007 -2.089 -14.148 1.00 0.00 O ATOM 660 CB ASP A 263 6.726 -0.649 -11.683 1.00 0.00 C ATOM 661 CG ASP A 263 7.405 0.674 -11.387 1.00 0.00 C ATOM 662 OD1 ASP A 263 6.701 1.629 -10.998 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.641 0.753 -11.543 1.00 0.00 O ATOM 0 H ASP A 263 4.388 -0.717 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 263 5.520 0.392 -13.125 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.514 -1.163 -10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.407 -1.285 -12.248 1.00 0.00 H new ATOM 668 N ALA A 264 4.006 -2.321 -13.145 1.00 0.00 N ATOM 669 CA ALA A 264 3.639 -3.509 -13.906 1.00 0.00 C ATOM 670 C ALA A 264 2.667 -3.162 -15.029 1.00 0.00 C ATOM 671 O ALA A 264 3.029 -3.183 -16.206 1.00 0.00 O ATOM 672 CB ALA A 264 3.034 -4.559 -12.987 1.00 0.00 C ATOM 0 H ALA A 264 3.302 -2.016 -12.473 1.00 0.00 H new ATOM 0 HA ALA A 264 4.544 -3.916 -14.357 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.765 -5.440 -13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.761 -4.836 -12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.142 -4.154 -12.509 1.00 0.00 H new ATOM 678 N CYS A 265 1.431 -2.845 -14.659 1.00 0.00 N ATOM 679 CA CYS A 265 0.406 -2.495 -15.634 1.00 0.00 C ATOM 680 C CYS A 265 0.551 -1.042 -16.078 1.00 0.00 C ATOM 681 O CYS A 265 0.424 -0.727 -17.260 1.00 0.00 O ATOM 682 CB CYS A 265 -0.987 -2.724 -15.045 1.00 0.00 C ATOM 683 SG CYS A 265 -1.340 -1.726 -13.562 1.00 0.00 S ATOM 0 H CYS A 265 1.115 -2.823 -13.689 1.00 0.00 H new ATOM 0 HA CYS A 265 0.534 -3.137 -16.506 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.733 -2.500 -15.807 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -1.095 -3.779 -14.794 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.389 -1.892 -12.691 1.00 0.00 H new ATOM 688 N GLY A 266 0.818 -0.160 -15.119 1.00 0.00 N ATOM 689 CA GLY A 266 0.975 1.249 -15.430 1.00 0.00 C ATOM 690 C GLY A 266 -0.226 2.073 -15.011 1.00 0.00 C ATOM 691 O GLY A 266 -0.648 2.977 -15.732 1.00 0.00 O ATOM 0 H GLY A 266 0.928 -0.396 -14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.866 1.631 -14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.136 1.366 -16.502 1.00 0.00 H new ATOM 695 N MET A 267 -0.779 1.759 -13.844 1.00 0.00 N ATOM 696 CA MET A 267 -1.939 2.478 -13.331 1.00 0.00 C ATOM 697 C MET A 267 -1.529 3.471 -12.249 1.00 0.00 C ATOM 698 O MET A 267 -0.555 3.253 -11.530 1.00 0.00 O ATOM 699 CB MET A 267 -2.969 1.494 -12.773 1.00 0.00 C ATOM 700 CG MET A 267 -4.380 2.059 -12.714 1.00 0.00 C ATOM 701 SD MET A 267 -5.434 1.173 -11.551 1.00 0.00 S ATOM 702 CE MET A 267 -4.466 -0.308 -11.275 1.00 0.00 C ATOM 0 H MET A 267 -0.443 1.012 -13.236 1.00 0.00 H new ATOM 0 HA MET A 267 -2.386 3.032 -14.156 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.972 0.595 -13.390 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.665 1.192 -11.771 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.335 3.110 -12.429 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.826 2.017 -13.708 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.119 -1.111 -10.932 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.983 -0.606 -12.206 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.706 -0.110 -10.519 1.00 0.00 H new ATOM 712 N ASN A 268 -2.279 4.563 -12.139 1.00 0.00 N ATOM 713 CA ASN A 268 -1.992 5.590 -11.144 1.00 0.00 C ATOM 714 C ASN A 268 -3.150 5.734 -10.160 1.00 0.00 C ATOM 715 O ASN A 268 -4.287 5.988 -10.557 1.00 0.00 O ATOM 716 CB ASN A 268 -1.721 6.931 -11.829 1.00 0.00 C ATOM 717 CG ASN A 268 -1.050 6.766 -13.179 1.00 0.00 C ATOM 718 OD1 ASN A 268 -0.414 5.746 -13.448 1.00 0.00 O ATOM 719 ND2 ASN A 268 -1.189 7.771 -14.036 1.00 0.00 N ATOM 0 H ASN A 268 -3.090 4.759 -12.726 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.104 5.286 -10.590 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.661 7.467 -11.957 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.090 7.544 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 268 -0.760 7.717 -14.960 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -1.725 8.597 -13.770 1.00 0.00 H new ATOM 726 N VAL A 269 -2.851 5.570 -8.876 1.00 0.00 N ATOM 727 CA VAL A 269 -3.865 5.683 -7.834 1.00 0.00 C ATOM 728 C VAL A 269 -3.260 6.186 -6.529 1.00 0.00 C ATOM 729 O VAL A 269 -2.097 5.916 -6.227 1.00 0.00 O ATOM 730 CB VAL A 269 -4.560 4.332 -7.579 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.082 3.745 -8.881 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.607 3.365 -6.892 1.00 0.00 C ATOM 0 H VAL A 269 -1.914 5.358 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.604 6.402 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.411 4.500 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.570 2.791 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.800 4.433 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.251 3.590 -9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -4.114 2.416 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.736 3.201 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -3.288 3.785 -5.938 1.00 0.00 H new ATOM 742 N HIS A 270 -4.056 6.919 -5.757 1.00 0.00 N ATOM 743 CA HIS A 270 -3.598 7.460 -4.482 1.00 0.00 C ATOM 744 C HIS A 270 -2.997 6.362 -3.611 1.00 0.00 C ATOM 745 O HIS A 270 -2.860 5.217 -4.044 1.00 0.00 O ATOM 746 CB HIS A 270 -4.756 8.135 -3.746 1.00 0.00 C ATOM 747 CG HIS A 270 -5.081 9.502 -4.266 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.224 9.782 -4.985 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.405 10.671 -4.166 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.236 11.063 -5.306 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.144 11.625 -4.821 1.00 0.00 N ATOM 0 H HIS A 270 -5.021 7.152 -5.992 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.825 8.201 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.642 7.505 -3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.510 8.207 -2.687 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -6.947 9.106 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.461 10.824 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.008 11.566 -5.870 1.00 0.00 H new ATOM 759 N HIS A 271 -2.640 6.718 -2.381 1.00 0.00 N ATOM 760 CA HIS A 271 -2.053 5.762 -1.448 1.00 0.00 C ATOM 761 C HIS A 271 -3.131 4.887 -0.817 1.00 0.00 C ATOM 762 O HIS A 271 -2.883 3.732 -0.469 1.00 0.00 O ATOM 763 CB HIS A 271 -1.271 6.495 -0.358 1.00 0.00 C ATOM 764 CG HIS A 271 0.154 6.772 -0.726 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.546 7.137 -1.997 1.00 0.00 N ATOM 766 CD2 HIS A 271 1.283 6.738 0.019 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.855 7.313 -2.018 1.00 0.00 C ATOM 768 NE2 HIS A 271 2.326 7.078 -0.807 1.00 0.00 N ATOM 0 H HIS A 271 -2.747 7.661 -2.007 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.370 5.121 -2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.770 7.438 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.293 5.900 0.555 1.00 0.00 H new ATOM 0 HD2 HIS A 271 1.351 6.490 1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.440 7.600 -2.879 1.00 0.00 H new ATOM 0 HE2 HIS A 271 3.306 7.139 -0.530 1.00 0.00 H new ATOM 776 N ARG A 272 -4.329 5.445 -0.670 1.00 0.00 N ATOM 777 CA ARG A 272 -5.444 4.716 -0.079 1.00 0.00 C ATOM 778 C ARG A 272 -6.283 4.037 -1.157 1.00 0.00 C ATOM 779 O ARG A 272 -6.791 2.932 -0.960 1.00 0.00 O ATOM 780 CB ARG A 272 -6.321 5.663 0.744 1.00 0.00 C ATOM 781 CG ARG A 272 -5.733 6.012 2.101 1.00 0.00 C ATOM 782 CD ARG A 272 -6.496 7.148 2.763 1.00 0.00 C ATOM 783 NE ARG A 272 -6.214 8.436 2.134 1.00 0.00 N ATOM 784 CZ ARG A 272 -6.689 9.593 2.583 1.00 0.00 C ATOM 785 NH1 ARG A 272 -7.465 9.622 3.657 1.00 0.00 N ATOM 786 NH2 ARG A 272 -6.388 10.723 1.956 1.00 0.00 N ATOM 0 H ARG A 272 -4.551 6.400 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 272 -5.036 3.947 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.479 6.582 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -7.300 5.205 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -5.755 5.133 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -4.687 6.295 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -7.566 6.945 2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -6.232 7.195 3.819 1.00 0.00 H new ATOM 0 HE ARG A 272 -5.620 8.448 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -7.699 8.755 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -7.828 10.511 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -5.792 10.704 1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -6.753 11.611 2.301 1.00 0.00 H new ATOM 800 N CYS A 273 -6.426 4.705 -2.297 1.00 0.00 N ATOM 801 CA CYS A 273 -7.204 4.168 -3.407 1.00 0.00 C ATOM 802 C CYS A 273 -6.562 2.898 -3.956 1.00 0.00 C ATOM 803 O CYS A 273 -7.189 2.147 -4.703 1.00 0.00 O ATOM 804 CB CYS A 273 -7.331 5.211 -4.519 1.00 0.00 C ATOM 805 SG CYS A 273 -8.123 6.765 -3.994 1.00 0.00 S ATOM 0 H CYS A 273 -6.013 5.620 -2.476 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.198 3.920 -3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.338 5.435 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.905 4.783 -5.340 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.512 7.429 -5.042 1.00 0.00 H new ATOM 810 N GLN A 274 -5.308 2.665 -3.581 1.00 0.00 N ATOM 811 CA GLN A 274 -4.581 1.485 -4.036 1.00 0.00 C ATOM 812 C GLN A 274 -5.128 0.222 -3.380 1.00 0.00 C ATOM 813 O GLN A 274 -5.166 -0.844 -3.995 1.00 0.00 O ATOM 814 CB GLN A 274 -3.090 1.630 -3.730 1.00 0.00 C ATOM 815 CG GLN A 274 -2.712 1.188 -2.325 1.00 0.00 C ATOM 816 CD GLN A 274 -1.231 1.348 -2.042 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.425 1.504 -2.960 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.864 1.311 -0.767 1.00 0.00 N ATOM 0 H GLN A 274 -4.775 3.277 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.716 1.399 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.521 1.044 -4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.799 2.672 -3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.282 1.769 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.993 0.144 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.565 1.180 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.119 1.414 -0.516 1.00 0.00 H new ATOM 827 N THR A 275 -5.549 0.347 -2.125 1.00 0.00 N ATOM 828 CA THR A 275 -6.092 -0.784 -1.384 1.00 0.00 C ATOM 829 C THR A 275 -7.542 -1.050 -1.771 1.00 0.00 C ATOM 830 O THR A 275 -8.223 -1.864 -1.146 1.00 0.00 O ATOM 831 CB THR A 275 -6.012 -0.550 0.136 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.468 -1.714 0.836 1.00 0.00 O ATOM 833 CG2 THR A 275 -6.850 0.653 0.543 1.00 0.00 C ATOM 0 H THR A 275 -5.524 1.221 -1.600 1.00 0.00 H new ATOM 0 HA THR A 275 -5.485 -1.652 -1.643 1.00 0.00 H new ATOM 0 HB THR A 275 -4.972 -0.354 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 275 -7.188 -2.141 0.327 1.00 0.00 H new ATOM 0 HG21 THR A 275 -6.778 0.799 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 275 -6.482 1.542 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 275 -7.891 0.481 0.269 1.00 0.00 H new ATOM 841 N LYS A 276 -8.010 -0.360 -2.805 1.00 0.00 N ATOM 842 CA LYS A 276 -9.379 -0.523 -3.278 1.00 0.00 C ATOM 843 C LYS A 276 -9.403 -1.100 -4.690 1.00 0.00 C ATOM 844 O LYS A 276 -10.442 -1.554 -5.168 1.00 0.00 O ATOM 845 CB LYS A 276 -10.113 0.820 -3.252 1.00 0.00 C ATOM 846 CG LYS A 276 -10.179 1.450 -1.871 1.00 0.00 C ATOM 847 CD LYS A 276 -11.153 2.616 -1.837 1.00 0.00 C ATOM 848 CE LYS A 276 -11.737 2.814 -0.447 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.724 3.928 -0.413 1.00 0.00 N ATOM 0 H LYS A 276 -7.460 0.318 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.886 -1.221 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.615 1.510 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -11.127 0.678 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -10.483 0.699 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -9.187 1.795 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.643 3.527 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.959 2.439 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -12.219 1.892 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.932 3.020 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -13.099 4.031 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -12.259 4.813 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -13.505 3.720 -1.067 1.00 0.00 H new ATOM 863 N VAL A 277 -8.250 -1.080 -5.351 1.00 0.00 N ATOM 864 CA VAL A 277 -8.138 -1.603 -6.708 1.00 0.00 C ATOM 865 C VAL A 277 -8.093 -3.127 -6.706 1.00 0.00 C ATOM 866 O VAL A 277 -7.964 -3.754 -5.655 1.00 0.00 O ATOM 867 CB VAL A 277 -6.882 -1.063 -7.416 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.069 -1.084 -8.925 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.558 0.341 -6.929 1.00 0.00 C ATOM 0 H VAL A 277 -7.381 -0.708 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.022 -1.269 -7.251 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.041 -1.711 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.171 -0.699 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.248 -2.107 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.922 -0.461 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.667 0.707 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.397 1.003 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.377 0.321 -5.854 1.00 0.00 H new ATOM 879 N ALA A 278 -8.199 -3.718 -7.892 1.00 0.00 N ATOM 880 CA ALA A 278 -8.167 -5.169 -8.029 1.00 0.00 C ATOM 881 C ALA A 278 -6.791 -5.723 -7.674 1.00 0.00 C ATOM 882 O ALA A 278 -5.788 -5.016 -7.750 1.00 0.00 O ATOM 883 CB ALA A 278 -8.552 -5.574 -9.443 1.00 0.00 C ATOM 0 H ALA A 278 -8.308 -3.214 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.891 -5.591 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -8.524 -6.660 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -9.559 -5.218 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -7.850 -5.134 -10.151 1.00 0.00 H new ATOM 889 N ASN A 279 -6.753 -6.994 -7.284 1.00 0.00 N ATOM 890 CA ASN A 279 -5.500 -7.643 -6.916 1.00 0.00 C ATOM 891 C ASN A 279 -4.974 -8.500 -8.063 1.00 0.00 C ATOM 892 O ASN A 279 -4.318 -9.519 -7.841 1.00 0.00 O ATOM 893 CB ASN A 279 -5.696 -8.506 -5.668 1.00 0.00 C ATOM 894 CG ASN A 279 -6.750 -9.578 -5.866 1.00 0.00 C ATOM 895 OD1 ASN A 279 -7.864 -9.296 -6.308 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.401 -10.817 -5.540 1.00 0.00 N ATOM 0 H ASN A 279 -7.575 -7.594 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.767 -6.866 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.749 -8.976 -5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -5.982 -7.869 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -7.067 -11.581 -5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -5.466 -11.005 -5.177 1.00 0.00 H new ATOM 903 N LEU A 280 -5.265 -8.081 -9.289 1.00 0.00 N ATOM 904 CA LEU A 280 -4.821 -8.809 -10.473 1.00 0.00 C ATOM 905 C LEU A 280 -4.130 -7.875 -11.460 1.00 0.00 C ATOM 906 O LEU A 280 -4.780 -7.254 -12.302 1.00 0.00 O ATOM 907 CB LEU A 280 -6.009 -9.496 -11.149 1.00 0.00 C ATOM 908 CG LEU A 280 -7.118 -9.990 -10.218 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.463 -9.957 -10.926 1.00 0.00 C ATOM 910 CD2 LEU A 280 -6.809 -11.394 -9.719 1.00 0.00 C ATOM 0 H LEU A 280 -5.807 -7.240 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.104 -9.566 -10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -6.446 -8.800 -11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -5.635 -10.346 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.168 -9.323 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.240 -10.312 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -8.688 -8.935 -11.233 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -8.427 -10.600 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -7.608 -11.729 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -6.731 -12.073 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -5.866 -11.387 -9.173 1.00 0.00 H new ATOM 922 N CYS A 281 -2.809 -7.781 -11.353 1.00 0.00 N ATOM 923 CA CYS A 281 -2.028 -6.924 -12.237 1.00 0.00 C ATOM 924 C CYS A 281 -1.582 -7.687 -13.480 1.00 0.00 C ATOM 925 O CYS A 281 -0.761 -8.600 -13.400 1.00 0.00 O ATOM 926 CB CYS A 281 -0.807 -6.371 -11.499 1.00 0.00 C ATOM 927 SG CYS A 281 0.047 -5.025 -12.379 1.00 0.00 S ATOM 0 H CYS A 281 -2.256 -8.288 -10.662 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.662 -6.094 -12.550 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.121 -6.009 -10.520 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.101 -7.183 -11.327 1.00 0.00 H new ATOM 0 HG CYS A 281 0.313 -4.062 -11.547 1.00 0.00 H new ATOM 932 N GLY A 282 -2.130 -7.306 -14.631 1.00 0.00 N ATOM 933 CA GLY A 282 -1.776 -7.965 -15.875 1.00 0.00 C ATOM 934 C GLY A 282 -2.826 -8.963 -16.321 1.00 0.00 C ATOM 935 O GLY A 282 -3.149 -9.046 -17.507 1.00 0.00 O ATOM 0 H GLY A 282 -2.812 -6.553 -14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.638 -7.215 -16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.821 -8.477 -15.753 1.00 0.00 H new ATOM 939 N ILE A 283 -3.360 -9.723 -15.371 1.00 0.00 N ATOM 940 CA ILE A 283 -4.378 -10.721 -15.673 1.00 0.00 C ATOM 941 C ILE A 283 -5.482 -10.132 -16.545 1.00 0.00 C ATOM 942 O ILE A 283 -6.130 -10.846 -17.309 1.00 0.00 O ATOM 943 CB ILE A 283 -5.005 -11.293 -14.388 1.00 0.00 C ATOM 944 CG1 ILE A 283 -3.915 -11.833 -13.460 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.007 -12.386 -14.728 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.392 -12.942 -12.549 1.00 0.00 C ATOM 0 H ILE A 283 -3.104 -9.666 -14.385 1.00 0.00 H new ATOM 0 HA ILE A 283 -3.880 -11.526 -16.214 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.533 -10.491 -13.871 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.085 -12.201 -14.063 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.529 -11.015 -12.852 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.441 -12.780 -13.809 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -6.797 -11.973 -15.355 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.501 -13.189 -15.264 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.567 -13.276 -11.920 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -5.202 -12.573 -11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.751 -13.777 -13.150 1.00 0.00 H new ATOM 958 N ASN A 284 -5.690 -8.825 -16.425 1.00 0.00 N ATOM 959 CA ASN A 284 -6.715 -8.139 -17.203 1.00 0.00 C ATOM 960 C ASN A 284 -6.364 -8.143 -18.688 1.00 0.00 C ATOM 961 O ASN A 284 -6.904 -7.357 -19.466 1.00 0.00 O ATOM 962 CB ASN A 284 -6.881 -6.700 -16.711 1.00 0.00 C ATOM 963 CG ASN A 284 -7.652 -6.620 -15.407 1.00 0.00 C ATOM 964 OD1 ASN A 284 -7.231 -7.172 -14.390 1.00 0.00 O ATOM 965 ND2 ASN A 284 -8.787 -5.932 -15.432 1.00 0.00 N ATOM 0 H ASN A 284 -5.162 -8.220 -15.796 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.656 -8.673 -17.068 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -5.898 -6.249 -16.577 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.398 -6.116 -17.472 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -9.349 -5.844 -14.585 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.097 -5.491 -16.298 1.00 0.00 H new