USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -2.15! C(o=-2.1!,f=-9.8!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 4:sc= 1.16 USER MOD Single : A 266 LYS NZ :NH3+ -123:sc= 1.19 (180deg=0.197) USER MOD Single : A 268 THR OG1 : rot -15:sc= 0.791 USER MOD Single : A 269 LYS NZ :NH3+ -166:sc= -0.065 (180deg=-0.326) USER MOD Single : A 280 CYS SG : rot -46:sc= -18.6! USER MOD Single : A 281 ASN : amide:sc=-4.64e-05 X(o=-4.6e-05,f=0) USER MOD Single : A 283 LYS NZ :NH3+ -158:sc= 0.14 (180deg=0.0581) USER MOD Single : A 286 HIS : no HD1:sc= -0.47 K(o=-0.47,f=-1.6) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 291 HIS :FLIP no HE2:sc= -1.71 F(o=-2.2,f=-1.7) USER MOD Single : A 297 GLN : amide:sc= 0.772 K(o=0.77,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 5.634 -2.321 -8.845 1.00 0.40 N ATOM 263 CA PRO A 238 4.963 -2.400 -7.553 1.00 0.28 C ATOM 264 C PRO A 238 4.709 -3.778 -7.105 1.00 0.28 C ATOM 265 O PRO A 238 4.307 -4.671 -7.850 1.00 0.41 O ATOM 266 CB PRO A 238 3.677 -1.625 -7.754 1.00 0.25 C ATOM 267 CG PRO A 238 3.402 -1.742 -9.193 1.00 0.59 C ATOM 268 CD PRO A 238 4.756 -1.715 -9.853 1.00 0.43 C ATOM 0 HA PRO A 238 5.587 -1.988 -6.760 1.00 0.28 H new ATOM 0 HB2 PRO A 238 2.865 -2.042 -7.159 1.00 0.25 H new ATOM 0 HB3 PRO A 238 3.790 -0.583 -7.454 1.00 0.25 H new ATOM 0 HG2 PRO A 238 2.871 -2.667 -9.419 1.00 0.59 H new ATOM 0 HG3 PRO A 238 2.776 -0.921 -9.543 1.00 0.59 H new ATOM 0 HD2 PRO A 238 4.761 -2.282 -10.784 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.065 -0.698 -10.097 1.00 0.43 H new ATOM 276 N PHE A 239 4.964 -3.905 -5.846 1.00 0.24 N ATOM 277 CA PHE A 239 4.920 -5.166 -5.200 1.00 0.26 C ATOM 278 C PHE A 239 3.489 -5.443 -4.807 1.00 0.22 C ATOM 279 O PHE A 239 2.683 -4.519 -4.720 1.00 0.26 O ATOM 280 CB PHE A 239 5.813 -5.178 -3.960 1.00 0.38 C ATOM 281 CG PHE A 239 7.298 -5.222 -4.211 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.825 -5.968 -5.246 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.172 -4.561 -3.364 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.192 -6.050 -5.436 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.534 -4.630 -3.556 1.00 0.79 C ATOM 286 CZ PHE A 239 10.044 -5.377 -4.593 1.00 0.78 C ATOM 0 H PHE A 239 5.211 -3.127 -5.234 1.00 0.24 H new ATOM 0 HA PHE A 239 5.287 -5.936 -5.879 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.591 -4.289 -3.369 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.543 -6.041 -3.351 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.161 -6.494 -5.916 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.780 -3.983 -2.541 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.590 -6.643 -6.246 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.201 -4.098 -2.893 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.112 -5.434 -4.744 1.00 0.78 H new ATOM 296 N TYR A 240 3.168 -6.688 -4.547 1.00 0.22 N ATOM 297 CA TYR A 240 1.873 -7.006 -4.061 1.00 0.21 C ATOM 298 C TYR A 240 2.036 -7.025 -2.578 1.00 0.19 C ATOM 299 O TYR A 240 3.159 -7.122 -2.105 1.00 0.23 O ATOM 300 CB TYR A 240 1.407 -8.368 -4.586 1.00 0.24 C ATOM 301 CG TYR A 240 0.658 -8.346 -5.904 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.347 -7.158 -6.549 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.246 -9.535 -6.496 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.349 -7.153 -7.744 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.445 -9.539 -7.691 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.741 -8.347 -8.309 1.00 0.69 C ATOM 307 OH TYR A 240 -1.438 -8.348 -9.496 1.00 0.88 O ATOM 0 H TYR A 240 3.792 -7.486 -4.668 1.00 0.22 H new ATOM 0 HA TYR A 240 1.117 -6.292 -4.387 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.280 -9.012 -4.696 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.766 -8.827 -3.833 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.654 -6.220 -6.110 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.471 -10.474 -6.011 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -0.584 -6.218 -8.232 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.751 -10.473 -8.138 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.637 -9.271 -9.758 1.00 0.88 H new ATOM 317 N ALA A 241 0.988 -6.844 -1.846 1.00 0.14 N ATOM 318 CA ALA A 241 1.073 -7.007 -0.435 1.00 0.15 C ATOM 319 C ALA A 241 -0.249 -7.423 0.146 1.00 0.11 C ATOM 320 O ALA A 241 -1.261 -6.813 -0.113 1.00 0.12 O ATOM 321 CB ALA A 241 1.586 -5.731 0.211 1.00 0.24 C ATOM 0 H ALA A 241 0.067 -6.584 -2.200 1.00 0.14 H new ATOM 0 HA ALA A 241 1.783 -7.806 -0.223 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.646 -5.869 1.291 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.576 -5.497 -0.181 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.904 -4.910 -0.013 1.00 0.24 H new ATOM 327 N ARG A 242 -0.233 -8.438 0.964 1.00 0.10 N ATOM 328 CA ARG A 242 -1.456 -8.952 1.517 1.00 0.08 C ATOM 329 C ARG A 242 -1.924 -8.038 2.640 1.00 0.08 C ATOM 330 O ARG A 242 -1.351 -8.039 3.728 1.00 0.11 O ATOM 331 CB ARG A 242 -1.243 -10.352 2.067 1.00 0.10 C ATOM 332 CG ARG A 242 -2.476 -10.978 2.739 1.00 0.10 C ATOM 333 CD ARG A 242 -3.436 -11.608 1.750 1.00 0.11 C ATOM 334 NE ARG A 242 -2.787 -12.560 0.851 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.430 -13.212 -0.117 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.736 -13.031 -0.288 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.774 -14.054 -0.901 1.00 0.43 N ATOM 0 H ARG A 242 0.612 -8.926 1.263 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.209 -8.992 0.730 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.922 -11.002 1.253 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.429 -10.322 2.791 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.149 -11.735 3.452 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -3.001 -10.211 3.308 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.230 -12.116 2.297 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.908 -10.823 1.159 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.789 -12.735 0.971 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.247 -12.393 0.322 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.227 -13.531 -1.029 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.774 -14.205 -0.764 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.268 -14.552 -1.641 1.00 0.43 H new ATOM 351 N VAL A 243 -2.939 -7.245 2.374 1.00 0.07 N ATOM 352 CA VAL A 243 -3.497 -6.385 3.373 1.00 0.08 C ATOM 353 C VAL A 243 -4.070 -7.225 4.499 1.00 0.11 C ATOM 354 O VAL A 243 -4.686 -8.255 4.259 1.00 0.14 O ATOM 355 CB VAL A 243 -4.597 -5.470 2.785 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.576 -6.256 1.927 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.340 -4.784 3.902 1.00 0.18 C ATOM 0 H VAL A 243 -3.392 -7.184 1.462 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.702 -5.745 3.755 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.113 -4.727 2.151 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.335 -5.582 1.530 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.041 -6.726 1.102 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.055 -7.025 2.533 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.114 -4.141 3.483 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.800 -5.533 4.546 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.644 -4.182 4.486 1.00 0.18 H new ATOM 367 N ILE A 244 -3.857 -6.797 5.724 1.00 0.12 N ATOM 368 CA ILE A 244 -4.389 -7.543 6.855 1.00 0.16 C ATOM 369 C ILE A 244 -5.268 -6.683 7.707 1.00 0.13 C ATOM 370 O ILE A 244 -5.751 -7.130 8.737 1.00 0.17 O ATOM 371 CB ILE A 244 -3.331 -8.127 7.794 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.242 -7.094 8.055 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.797 -9.416 7.238 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.554 -7.244 9.392 1.00 0.61 C ATOM 0 H ILE A 244 -3.332 -5.956 5.965 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.933 -8.362 6.384 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.781 -8.366 8.758 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.495 -7.163 7.265 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.680 -6.098 7.994 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.045 -9.821 7.916 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.612 -10.132 7.131 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.345 -9.232 6.263 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.793 -6.471 9.499 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.288 -7.144 10.192 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.084 -8.226 9.451 1.00 0.61 H new ATOM 386 N GLN A 245 -5.426 -5.449 7.289 1.00 0.11 N ATOM 387 CA GLN A 245 -6.278 -4.493 7.969 1.00 0.12 C ATOM 388 C GLN A 245 -6.411 -3.262 7.123 1.00 0.11 C ATOM 389 O GLN A 245 -5.515 -2.429 7.041 1.00 0.12 O ATOM 390 CB GLN A 245 -5.762 -4.126 9.363 1.00 0.15 C ATOM 391 CG GLN A 245 -6.297 -5.028 10.452 1.00 0.21 C ATOM 392 CD GLN A 245 -6.270 -4.388 11.822 1.00 0.33 C ATOM 393 OE1 GLN A 245 -7.238 -3.750 12.241 1.00 1.05 O ATOM 394 NE2 GLN A 245 -5.163 -4.539 12.525 1.00 1.20 N ATOM 0 H GLN A 245 -4.964 -5.074 6.460 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.252 -4.961 8.112 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.673 -4.172 9.364 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -6.038 -3.095 9.586 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.322 -5.311 10.210 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.710 -5.946 10.475 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -4.384 -5.075 12.142 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -5.086 -4.120 13.452 1.00 1.20 H new ATOM 403 N LYS A 246 -7.500 -3.213 6.424 1.00 0.12 N ATOM 404 CA LYS A 246 -7.852 -2.071 5.644 1.00 0.12 C ATOM 405 C LYS A 246 -9.319 -1.823 5.875 1.00 0.15 C ATOM 406 O LYS A 246 -10.021 -2.701 6.378 1.00 0.19 O ATOM 407 CB LYS A 246 -7.522 -2.367 4.194 1.00 0.12 C ATOM 408 CG LYS A 246 -7.166 -1.177 3.296 1.00 0.13 C ATOM 409 CD LYS A 246 -5.806 -1.394 2.665 1.00 0.14 C ATOM 410 CE LYS A 246 -4.722 -0.883 3.544 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.379 -1.059 2.929 1.00 0.21 N ATOM 0 H LYS A 246 -8.177 -3.974 6.379 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.300 -1.173 5.921 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.686 -3.066 4.174 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.376 -2.879 3.752 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.922 -1.058 2.520 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.162 -0.257 3.881 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.655 -2.457 2.476 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.764 -0.889 1.700 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.891 0.174 3.751 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.754 -1.404 4.501 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.651 -0.690 3.574 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.207 -2.070 2.754 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.339 -0.540 2.028 1.00 0.21 H new ATOM 425 N ARG A 247 -9.781 -0.665 5.526 1.00 0.16 N ATOM 426 CA ARG A 247 -11.168 -0.354 5.662 1.00 0.16 C ATOM 427 C ARG A 247 -11.779 -0.588 4.308 1.00 0.14 C ATOM 428 O ARG A 247 -11.038 -0.795 3.348 1.00 0.14 O ATOM 429 CB ARG A 247 -11.343 1.099 6.119 1.00 0.17 C ATOM 430 CG ARG A 247 -10.955 2.133 5.073 1.00 0.18 C ATOM 431 CD ARG A 247 -10.829 3.539 5.651 1.00 0.23 C ATOM 432 NE ARG A 247 -12.026 4.358 5.423 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.078 4.418 6.238 1.00 0.63 C ATOM 434 NH1 ARG A 247 -13.116 3.697 7.351 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.087 5.225 5.935 1.00 0.63 N ATOM 0 H ARG A 247 -9.211 0.088 5.141 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.655 -0.974 6.415 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.384 1.257 6.401 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.743 1.261 7.014 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.007 1.845 4.619 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.701 2.137 4.278 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.640 3.471 6.722 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.966 4.034 5.206 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.054 4.925 4.575 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.334 3.088 7.591 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.927 3.752 7.967 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.051 5.790 5.087 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.898 5.280 6.551 1.00 0.63 H new ATOM 449 N VAL A 248 -13.085 -0.642 4.202 1.00 0.15 N ATOM 450 CA VAL A 248 -13.677 -0.530 2.904 1.00 0.15 C ATOM 451 C VAL A 248 -14.107 0.915 2.692 1.00 0.14 C ATOM 452 O VAL A 248 -15.199 1.333 3.079 1.00 0.16 O ATOM 453 CB VAL A 248 -14.839 -1.525 2.694 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.736 -1.070 1.559 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.283 -2.910 2.391 1.00 0.21 C ATOM 0 H VAL A 248 -13.737 -0.759 4.978 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.937 -0.800 2.151 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.432 -1.564 3.608 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.548 -1.785 1.428 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.150 -0.089 1.793 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.155 -1.008 0.639 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.107 -3.608 2.244 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.676 -2.869 1.487 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.668 -3.246 3.226 1.00 0.21 H new ATOM 465 N PRO A 249 -13.192 1.719 2.137 1.00 0.13 N ATOM 466 CA PRO A 249 -13.432 3.074 1.780 1.00 0.15 C ATOM 467 C PRO A 249 -13.803 3.148 0.315 1.00 0.16 C ATOM 468 O PRO A 249 -14.483 2.269 -0.222 1.00 0.17 O ATOM 469 CB PRO A 249 -12.062 3.737 2.028 1.00 0.16 C ATOM 470 CG PRO A 249 -11.056 2.626 2.005 1.00 0.14 C ATOM 471 CD PRO A 249 -11.826 1.368 1.796 1.00 0.13 C ATOM 0 HA PRO A 249 -14.242 3.547 2.335 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.842 4.478 1.260 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.048 4.257 2.986 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.331 2.775 1.205 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.497 2.589 2.940 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.750 1.023 0.765 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.453 0.564 2.430 1.00 0.13 H new ATOM 479 N ASN A 250 -13.342 4.190 -0.311 1.00 0.17 N ATOM 480 CA ASN A 250 -13.382 4.323 -1.744 1.00 0.20 C ATOM 481 C ASN A 250 -12.398 5.396 -2.130 1.00 0.21 C ATOM 482 O ASN A 250 -11.718 5.956 -1.268 1.00 0.19 O ATOM 483 CB ASN A 250 -14.784 4.672 -2.265 1.00 0.24 C ATOM 484 CG ASN A 250 -15.491 5.727 -1.433 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.862 6.602 -0.849 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.811 5.643 -1.369 1.00 1.28 N ATOM 0 H ASN A 250 -12.920 4.987 0.165 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.120 3.366 -2.196 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.704 5.024 -3.293 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.392 3.768 -2.284 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.339 6.321 -0.820 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.300 4.900 -1.869 1.00 1.28 H new ATOM 493 N ALA A 251 -12.315 5.693 -3.404 1.00 0.26 N ATOM 494 CA ALA A 251 -11.436 6.745 -3.859 1.00 0.31 C ATOM 495 C ALA A 251 -11.987 8.112 -3.472 1.00 0.37 C ATOM 496 O ALA A 251 -11.297 9.123 -3.562 1.00 0.42 O ATOM 497 CB ALA A 251 -11.236 6.638 -5.361 1.00 0.39 C ATOM 0 H ALA A 251 -12.842 5.225 -4.141 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.467 6.631 -3.374 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.572 7.434 -5.697 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.794 5.671 -5.601 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.199 6.732 -5.864 1.00 0.39 H new ATOM 503 N TYR A 252 -13.230 8.131 -3.025 1.00 0.39 N ATOM 504 CA TYR A 252 -13.857 9.351 -2.553 1.00 0.47 C ATOM 505 C TYR A 252 -13.324 9.691 -1.177 1.00 0.46 C ATOM 506 O TYR A 252 -13.209 10.852 -0.792 1.00 0.56 O ATOM 507 CB TYR A 252 -15.366 9.168 -2.463 1.00 0.57 C ATOM 508 CG TYR A 252 -16.023 8.717 -3.748 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.395 8.867 -4.979 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.279 8.142 -3.719 1.00 1.27 C ATOM 511 CE1 TYR A 252 -16.010 8.457 -6.148 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.903 7.727 -4.878 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.264 7.885 -6.091 1.00 1.98 C ATOM 514 OH TYR A 252 -17.885 7.478 -7.250 1.00 2.53 O ATOM 0 H TYR A 252 -13.829 7.307 -2.979 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.631 10.155 -3.254 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.584 8.439 -1.683 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.815 10.111 -2.152 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.411 9.311 -5.023 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.782 8.015 -2.772 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.512 8.584 -7.098 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.886 7.281 -4.836 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.761 7.095 -7.035 1.00 2.53 H new ATOM 524 N ASP A 253 -12.993 8.642 -0.452 1.00 0.40 N ATOM 525 CA ASP A 253 -12.550 8.728 0.904 1.00 0.43 C ATOM 526 C ASP A 253 -11.089 8.992 0.927 1.00 0.38 C ATOM 527 O ASP A 253 -10.308 8.057 1.114 1.00 0.34 O ATOM 528 CB ASP A 253 -12.724 7.379 1.541 1.00 0.44 C ATOM 529 CG ASP A 253 -13.338 7.419 2.927 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.452 7.960 3.071 1.00 0.80 O ATOM 531 OD2 ASP A 253 -12.713 6.895 3.881 1.00 0.88 O ATOM 0 H ASP A 253 -13.029 7.687 -0.808 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.110 9.511 1.415 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.351 6.764 0.896 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.752 6.890 1.601 1.00 0.44 H new ATOM 536 N LYS A 254 -10.706 10.232 0.723 1.00 0.43 N ATOM 537 CA LYS A 254 -9.313 10.605 0.849 1.00 0.41 C ATOM 538 C LYS A 254 -8.470 9.878 -0.187 1.00 0.31 C ATOM 539 O LYS A 254 -7.252 9.977 -0.179 1.00 0.28 O ATOM 540 CB LYS A 254 -8.856 10.216 2.248 1.00 0.45 C ATOM 541 CG LYS A 254 -9.793 10.728 3.316 1.00 0.60 C ATOM 542 CD LYS A 254 -9.456 10.175 4.690 1.00 0.74 C ATOM 543 CE LYS A 254 -9.963 8.748 4.856 1.00 0.79 C ATOM 544 NZ LYS A 254 -9.572 8.176 6.172 1.00 1.32 N ATOM 0 H LYS A 254 -11.333 10.996 0.471 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.197 11.676 0.686 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.787 9.130 2.317 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.856 10.611 2.425 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.749 11.817 3.344 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.817 10.457 3.059 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.376 10.198 4.838 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -9.897 10.811 5.458 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.049 8.734 4.761 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -9.565 8.125 4.055 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -9.934 7.204 6.250 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -8.535 8.167 6.252 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -9.973 8.757 6.936 1.00 1.32 H new ATOM 558 N THR A 255 -9.163 9.159 -1.065 1.00 0.28 N ATOM 559 CA THR A 255 -8.597 8.140 -1.910 1.00 0.22 C ATOM 560 C THR A 255 -7.983 7.093 -1.017 1.00 0.15 C ATOM 561 O THR A 255 -6.843 7.212 -0.572 1.00 0.14 O ATOM 562 CB THR A 255 -7.601 8.634 -3.002 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.483 9.337 -2.444 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.307 9.526 -4.011 1.00 0.55 C ATOM 0 H THR A 255 -10.166 9.282 -1.204 1.00 0.28 H new ATOM 0 HA THR A 255 -9.411 7.729 -2.507 1.00 0.22 H new ATOM 0 HB THR A 255 -7.222 7.743 -3.502 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.536 9.311 -1.466 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.593 9.859 -4.764 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.108 8.966 -4.493 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.726 10.393 -3.500 1.00 0.55 H new ATOM 572 N ALA A 256 -8.826 6.158 -0.619 1.00 0.13 N ATOM 573 CA ALA A 256 -8.407 5.048 0.200 1.00 0.11 C ATOM 574 C ALA A 256 -8.704 3.689 -0.462 1.00 0.10 C ATOM 575 O ALA A 256 -9.464 3.602 -1.428 1.00 0.12 O ATOM 576 CB ALA A 256 -9.040 5.151 1.569 1.00 0.13 C ATOM 0 H ALA A 256 -9.818 6.151 -0.857 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.324 5.101 0.311 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.719 4.309 2.183 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.733 6.083 2.043 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.125 5.135 1.470 1.00 0.13 H new ATOM 582 N LEU A 257 -8.131 2.629 0.107 1.00 0.10 N ATOM 583 CA LEU A 257 -8.184 1.277 -0.477 1.00 0.09 C ATOM 584 C LEU A 257 -9.338 0.456 0.036 1.00 0.09 C ATOM 585 O LEU A 257 -9.368 0.112 1.215 1.00 0.11 O ATOM 586 CB LEU A 257 -6.899 0.502 -0.147 1.00 0.11 C ATOM 587 CG LEU A 257 -5.670 0.878 -0.938 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.003 1.201 -2.384 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.961 2.037 -0.280 1.00 0.21 C ATOM 0 H LEU A 257 -7.616 2.677 0.986 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.304 1.426 -1.550 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.679 0.639 0.912 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.092 -0.560 -0.298 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.004 0.015 -0.947 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.090 1.466 -2.917 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.459 0.330 -2.856 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.700 2.038 -2.419 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.076 2.299 -0.860 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.632 2.895 -0.234 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.663 1.755 0.730 1.00 0.21 H new ATOM 601 N ALA A 258 -10.248 0.077 -0.857 1.00 0.10 N ATOM 602 CA ALA A 258 -11.371 -0.745 -0.456 1.00 0.11 C ATOM 603 C ALA A 258 -11.036 -2.191 -0.561 1.00 0.11 C ATOM 604 O ALA A 258 -11.189 -2.823 -1.606 1.00 0.14 O ATOM 605 CB ALA A 258 -12.575 -0.438 -1.293 1.00 0.14 C ATOM 0 H ALA A 258 -10.226 0.324 -1.846 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.597 -0.516 0.585 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.408 -1.066 -0.976 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.845 0.611 -1.172 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.350 -0.636 -2.341 1.00 0.14 H new ATOM 611 N LEU A 259 -10.597 -2.712 0.542 1.00 0.10 N ATOM 612 CA LEU A 259 -10.244 -4.097 0.614 1.00 0.12 C ATOM 613 C LEU A 259 -10.358 -4.606 2.029 1.00 0.12 C ATOM 614 O LEU A 259 -10.500 -3.831 2.978 1.00 0.12 O ATOM 615 CB LEU A 259 -8.828 -4.314 0.099 1.00 0.14 C ATOM 616 CG LEU A 259 -7.986 -3.049 0.022 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.575 -3.336 0.440 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.013 -2.474 -1.372 1.00 0.55 C ATOM 0 H LEU A 259 -10.473 -2.195 1.412 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.939 -4.654 -0.014 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.325 -5.032 0.747 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.880 -4.762 -0.893 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.410 -2.313 0.705 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.985 -2.422 0.380 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.567 -3.706 1.465 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.146 -4.089 -0.221 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.405 -1.570 -1.405 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.614 -3.205 -2.075 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.040 -2.230 -1.645 1.00 0.55 H new ATOM 630 N GLU A 260 -10.299 -5.906 2.168 1.00 0.15 N ATOM 631 CA GLU A 260 -10.459 -6.529 3.460 1.00 0.16 C ATOM 632 C GLU A 260 -9.128 -6.963 4.010 1.00 0.15 C ATOM 633 O GLU A 260 -8.118 -6.990 3.318 1.00 0.16 O ATOM 634 CB GLU A 260 -11.368 -7.753 3.350 1.00 0.21 C ATOM 635 CG GLU A 260 -11.599 -8.501 4.649 1.00 0.23 C ATOM 636 CD GLU A 260 -13.021 -8.365 5.145 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.474 -7.222 5.359 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.695 -9.401 5.320 1.00 0.92 O ATOM 0 H GLU A 260 -10.141 -6.557 1.399 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.906 -5.796 4.131 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.333 -7.435 2.955 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -10.937 -8.442 2.623 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.366 -9.556 4.504 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.914 -8.125 5.409 1.00 0.23 H new ATOM 645 N VAL A 261 -9.135 -7.246 5.273 1.00 0.16 N ATOM 646 CA VAL A 261 -8.140 -8.075 5.864 1.00 0.16 C ATOM 647 C VAL A 261 -8.027 -9.405 5.128 1.00 0.17 C ATOM 648 O VAL A 261 -8.997 -10.158 5.017 1.00 0.21 O ATOM 649 CB VAL A 261 -8.522 -8.366 7.304 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.531 -9.330 7.922 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.637 -7.071 8.063 1.00 0.18 C ATOM 0 H VAL A 261 -9.839 -6.904 5.927 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.186 -7.550 5.809 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.496 -8.854 7.347 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.815 -9.531 8.955 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.530 -10.262 7.358 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.534 -8.891 7.899 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.911 -7.279 9.097 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.680 -6.549 8.039 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.403 -6.446 7.603 1.00 0.18 H new ATOM 661 N GLY A 262 -6.848 -9.684 4.632 1.00 0.17 N ATOM 662 CA GLY A 262 -6.597 -10.938 3.985 1.00 0.18 C ATOM 663 C GLY A 262 -6.667 -10.820 2.498 1.00 0.17 C ATOM 664 O GLY A 262 -6.479 -11.791 1.764 1.00 0.19 O ATOM 0 H GLY A 262 -6.047 -9.054 4.666 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.612 -11.305 4.274 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.325 -11.675 4.326 1.00 0.18 H new ATOM 668 N GLU A 263 -6.946 -9.620 2.060 1.00 0.16 N ATOM 669 CA GLU A 263 -6.937 -9.293 0.664 1.00 0.17 C ATOM 670 C GLU A 263 -5.557 -8.838 0.287 1.00 0.13 C ATOM 671 O GLU A 263 -4.615 -9.081 1.029 1.00 0.11 O ATOM 672 CB GLU A 263 -7.978 -8.222 0.496 1.00 0.18 C ATOM 673 CG GLU A 263 -9.251 -8.672 1.160 1.00 0.21 C ATOM 674 CD GLU A 263 -10.463 -8.522 0.263 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.897 -7.372 0.036 1.00 0.84 O ATOM 676 OE2 GLU A 263 -11.004 -9.547 -0.191 1.00 0.75 O ATOM 0 H GLU A 263 -7.187 -8.838 2.669 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.172 -10.134 0.012 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.632 -7.287 0.938 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.153 -8.029 -0.562 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.151 -9.716 1.458 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.405 -8.094 2.071 1.00 0.21 H new ATOM 683 N LEU A 264 -5.402 -8.198 -0.837 1.00 0.17 N ATOM 684 CA LEU A 264 -4.098 -7.688 -1.161 1.00 0.18 C ATOM 685 C LEU A 264 -4.164 -6.340 -1.823 1.00 0.17 C ATOM 686 O LEU A 264 -5.120 -5.984 -2.513 1.00 0.31 O ATOM 687 CB LEU A 264 -3.266 -8.739 -1.903 1.00 0.48 C ATOM 688 CG LEU A 264 -2.793 -8.539 -3.358 1.00 0.31 C ATOM 689 CD1 LEU A 264 -1.946 -7.305 -3.566 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.923 -9.707 -3.702 1.00 0.83 C ATOM 0 H LEU A 264 -6.134 -8.020 -1.525 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.557 -7.497 -0.234 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.372 -8.910 -1.304 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -3.843 -9.664 -1.886 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.687 -8.439 -3.974 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.654 -7.236 -4.614 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.519 -6.420 -3.290 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.053 -7.368 -2.944 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.566 -9.605 -4.727 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.072 -9.739 -3.022 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.497 -10.629 -3.608 1.00 0.83 H new ATOM 702 N VAL A 265 -3.114 -5.615 -1.566 1.00 0.19 N ATOM 703 CA VAL A 265 -2.960 -4.261 -1.960 1.00 0.19 C ATOM 704 C VAL A 265 -1.578 -4.100 -2.597 1.00 0.24 C ATOM 705 O VAL A 265 -0.614 -4.697 -2.147 1.00 0.47 O ATOM 706 CB VAL A 265 -3.106 -3.393 -0.700 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.946 -3.596 0.212 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.194 -1.940 -0.963 1.00 0.27 C ATOM 0 H VAL A 265 -2.310 -5.976 -1.052 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.710 -3.956 -2.690 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.047 -3.718 -0.255 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.067 -2.973 1.098 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.895 -4.644 0.509 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.026 -3.320 -0.303 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.295 -1.405 -0.019 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.290 -1.607 -1.474 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.062 -1.736 -1.590 1.00 0.27 H new ATOM 718 N LYS A 266 -1.484 -3.317 -3.634 1.00 0.14 N ATOM 719 CA LYS A 266 -0.274 -3.278 -4.440 1.00 0.15 C ATOM 720 C LYS A 266 0.264 -1.875 -4.542 1.00 0.32 C ATOM 721 O LYS A 266 -0.324 -1.030 -5.200 1.00 0.74 O ATOM 722 CB LYS A 266 -0.582 -3.844 -5.822 1.00 0.26 C ATOM 723 CG LYS A 266 0.559 -3.706 -6.830 1.00 0.42 C ATOM 724 CD LYS A 266 0.285 -2.654 -7.899 1.00 0.57 C ATOM 725 CE LYS A 266 -1.109 -2.803 -8.505 1.00 0.96 C ATOM 726 NZ LYS A 266 -1.289 -1.981 -9.728 1.00 1.84 N ATOM 0 H LYS A 266 -2.226 -2.692 -3.950 1.00 0.14 H new ATOM 0 HA LYS A 266 0.495 -3.885 -3.963 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.835 -4.899 -5.721 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.464 -3.341 -6.219 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.476 -3.447 -6.300 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.730 -4.669 -7.311 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.387 -1.660 -7.464 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.033 -2.735 -8.687 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.286 -3.851 -8.746 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.856 -2.516 -7.765 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -2.099 -1.341 -9.600 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.429 -1.421 -9.900 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -1.465 -2.604 -10.542 1.00 1.84 H new ATOM 740 N VAL A 267 1.402 -1.621 -3.935 1.00 0.14 N ATOM 741 CA VAL A 267 1.828 -0.260 -3.806 1.00 0.16 C ATOM 742 C VAL A 267 2.527 0.195 -5.073 1.00 0.20 C ATOM 743 O VAL A 267 3.641 -0.218 -5.400 1.00 0.23 O ATOM 744 CB VAL A 267 2.675 -0.005 -2.547 1.00 0.20 C ATOM 745 CG1 VAL A 267 4.044 -0.670 -2.613 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.765 1.492 -2.316 1.00 0.22 C ATOM 0 H VAL A 267 2.028 -2.321 -3.536 1.00 0.14 H new ATOM 0 HA VAL A 267 0.933 0.348 -3.672 1.00 0.16 H new ATOM 0 HB VAL A 267 2.184 -0.468 -1.692 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.597 -0.456 -1.698 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.920 -1.748 -2.718 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.596 -0.283 -3.470 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.363 1.688 -1.426 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.233 1.966 -3.179 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.764 1.900 -2.177 1.00 0.22 H new ATOM 756 N THR A 268 1.833 1.082 -5.750 1.00 0.21 N ATOM 757 CA THR A 268 2.134 1.501 -7.088 1.00 0.24 C ATOM 758 C THR A 268 2.483 2.979 -7.120 1.00 0.24 C ATOM 759 O THR A 268 2.781 3.540 -8.171 1.00 0.35 O ATOM 760 CB THR A 268 0.901 1.267 -7.975 1.00 0.26 C ATOM 761 OG1 THR A 268 1.078 1.847 -9.275 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.331 1.856 -7.298 1.00 0.24 C ATOM 0 H THR A 268 1.012 1.546 -5.362 1.00 0.21 H new ATOM 0 HA THR A 268 2.985 0.926 -7.452 1.00 0.24 H new ATOM 0 HB THR A 268 0.767 0.193 -8.106 1.00 0.26 H new ATOM 0 HG1 THR A 268 1.829 2.476 -9.253 1.00 0.31 H new ATOM 0 HG21 THR A 268 -1.206 1.690 -7.927 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.481 1.373 -6.332 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.188 2.926 -7.150 1.00 0.24 H new ATOM 770 N LYS A 269 2.406 3.622 -5.976 1.00 0.20 N ATOM 771 CA LYS A 269 2.743 5.012 -5.886 1.00 0.23 C ATOM 772 C LYS A 269 3.793 5.214 -4.831 1.00 0.28 C ATOM 773 O LYS A 269 3.782 4.564 -3.796 1.00 0.45 O ATOM 774 CB LYS A 269 1.528 5.876 -5.544 1.00 0.25 C ATOM 775 CG LYS A 269 0.991 6.747 -6.682 1.00 0.49 C ATOM 776 CD LYS A 269 2.077 7.369 -7.559 1.00 0.59 C ATOM 777 CE LYS A 269 2.951 8.326 -6.770 1.00 0.49 C ATOM 778 NZ LYS A 269 2.152 9.422 -6.153 1.00 1.40 N ATOM 0 H LYS A 269 2.111 3.197 -5.097 1.00 0.20 H new ATOM 0 HA LYS A 269 3.117 5.318 -6.863 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.726 5.223 -5.202 1.00 0.25 H new ATOM 0 HB3 LYS A 269 1.790 6.524 -4.708 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.335 6.143 -7.309 1.00 0.49 H new ATOM 0 HG3 LYS A 269 0.381 7.544 -6.258 1.00 0.49 H new ATOM 0 HD2 LYS A 269 2.695 6.580 -7.988 1.00 0.59 H new ATOM 0 HD3 LYS A 269 1.614 7.900 -8.391 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.479 7.777 -5.990 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.708 8.753 -7.427 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 2.790 10.176 -5.828 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 1.490 9.807 -6.856 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 1.618 9.048 -5.343 1.00 1.40 H new ATOM 792 N ILE A 270 4.711 6.092 -5.131 1.00 0.31 N ATOM 793 CA ILE A 270 5.681 6.563 -4.174 1.00 0.34 C ATOM 794 C ILE A 270 5.436 8.038 -3.964 1.00 0.38 C ATOM 795 O ILE A 270 5.781 8.861 -4.811 1.00 0.42 O ATOM 796 CB ILE A 270 7.139 6.389 -4.646 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.264 5.416 -5.827 1.00 0.57 C ATOM 798 CG2 ILE A 270 8.005 5.917 -3.494 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.732 5.948 -7.154 1.00 1.44 C ATOM 0 H ILE A 270 4.810 6.507 -6.058 1.00 0.31 H new ATOM 0 HA ILE A 270 5.560 5.975 -3.264 1.00 0.34 H new ATOM 0 HB ILE A 270 7.482 7.364 -4.993 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.314 5.152 -5.952 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.732 4.497 -5.580 1.00 0.57 H new ATOM 0 HG21 ILE A 270 9.033 5.797 -3.837 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.974 6.653 -2.690 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.631 4.962 -3.126 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.863 5.192 -7.928 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.673 6.184 -7.053 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.280 6.849 -7.431 1.00 1.44 H new ATOM 877 N TRP A 276 2.727 5.594 1.289 1.00 0.41 N ATOM 878 CA TRP A 276 2.449 5.733 -0.124 1.00 0.33 C ATOM 879 C TRP A 276 1.053 5.246 -0.457 1.00 0.23 C ATOM 880 O TRP A 276 0.281 4.870 0.432 1.00 0.22 O ATOM 881 CB TRP A 276 3.453 4.993 -1.006 1.00 0.41 C ATOM 882 CG TRP A 276 4.750 4.598 -0.359 1.00 0.62 C ATOM 883 CD1 TRP A 276 5.049 3.388 0.189 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.932 5.395 -0.225 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.337 3.391 0.656 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.899 4.610 0.418 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.261 6.692 -0.586 1.00 0.52 C ATOM 888 CZ2 TRP A 276 8.174 5.085 0.710 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.525 7.170 -0.299 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.470 6.367 0.344 1.00 0.82 C ATOM 0 HA TRP A 276 2.534 6.799 -0.336 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.973 4.091 -1.387 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.679 5.622 -1.867 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.371 2.549 0.247 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.802 2.605 1.110 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.539 7.321 -1.085 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.903 4.463 1.208 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.787 8.181 -0.576 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.451 6.767 0.555 1.00 0.82 H new ATOM 901 N GLU A 277 0.736 5.265 -1.746 1.00 0.19 N ATOM 902 CA GLU A 277 -0.588 4.941 -2.208 1.00 0.16 C ATOM 903 C GLU A 277 -0.593 3.633 -2.910 1.00 0.19 C ATOM 904 O GLU A 277 0.150 3.443 -3.837 1.00 0.48 O ATOM 905 CB GLU A 277 -1.087 6.015 -3.146 1.00 0.15 C ATOM 906 CG GLU A 277 -1.753 7.157 -2.417 1.00 0.23 C ATOM 907 CD GLU A 277 -2.116 8.317 -3.317 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.373 8.092 -4.518 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.153 9.466 -2.829 1.00 0.92 O ATOM 0 H GLU A 277 1.393 5.505 -2.489 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.246 4.879 -1.341 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.251 6.400 -3.730 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.794 5.577 -3.851 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.656 6.789 -1.930 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.088 7.512 -1.630 1.00 0.23 H new ATOM 916 N GLY A 278 -1.456 2.756 -2.480 1.00 0.39 N ATOM 917 CA GLY A 278 -1.584 1.497 -3.110 1.00 0.34 C ATOM 918 C GLY A 278 -2.674 1.510 -4.145 1.00 0.28 C ATOM 919 O GLY A 278 -3.406 2.489 -4.291 1.00 0.32 O ATOM 0 H GLY A 278 -2.081 2.904 -1.688 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.638 1.225 -3.579 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.800 0.734 -2.362 1.00 0.34 H new ATOM 923 N GLU A 279 -2.772 0.423 -4.853 1.00 0.22 N ATOM 924 CA GLU A 279 -3.803 0.206 -5.805 1.00 0.18 C ATOM 925 C GLU A 279 -4.053 -1.269 -5.827 1.00 0.13 C ATOM 926 O GLU A 279 -3.171 -2.064 -6.146 1.00 0.14 O ATOM 927 CB GLU A 279 -3.442 0.690 -7.184 1.00 0.25 C ATOM 928 CG GLU A 279 -4.616 0.564 -8.119 1.00 0.27 C ATOM 929 CD GLU A 279 -4.596 -0.714 -8.928 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.692 -0.871 -9.773 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.470 -1.570 -8.697 1.00 0.99 O ATOM 0 H GLU A 279 -2.115 -0.354 -4.776 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.688 0.773 -5.517 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.119 1.730 -7.136 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.601 0.113 -7.569 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.539 0.607 -7.541 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.625 1.417 -8.798 1.00 0.27 H new ATOM 938 N CYS A 280 -5.221 -1.627 -5.416 1.00 0.10 N ATOM 939 CA CYS A 280 -5.541 -2.998 -5.205 1.00 0.12 C ATOM 940 C CYS A 280 -6.677 -3.431 -6.088 1.00 0.15 C ATOM 941 O CYS A 280 -7.832 -3.271 -5.722 1.00 0.19 O ATOM 942 CB CYS A 280 -5.939 -3.111 -3.774 1.00 0.17 C ATOM 943 SG CYS A 280 -5.403 -1.703 -2.827 1.00 1.52 S ATOM 0 H CYS A 280 -5.982 -0.978 -5.216 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.690 -3.636 -5.444 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.023 -3.205 -3.704 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.512 -4.019 -3.348 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.165 -1.432 -3.115 1.00 1.52 H new ATOM 949 N ASN A 281 -6.344 -3.965 -7.247 1.00 0.18 N ATOM 950 CA ASN A 281 -7.345 -4.466 -8.182 1.00 0.25 C ATOM 951 C ASN A 281 -8.495 -3.469 -8.348 1.00 0.23 C ATOM 952 O ASN A 281 -9.670 -3.846 -8.343 1.00 0.32 O ATOM 953 CB ASN A 281 -7.866 -5.825 -7.705 1.00 0.33 C ATOM 954 CG ASN A 281 -6.776 -6.881 -7.677 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.579 -7.615 -8.648 1.00 1.04 O ATOM 956 ND2 ASN A 281 -6.058 -6.961 -6.565 1.00 0.69 N ATOM 0 H ASN A 281 -5.382 -4.066 -7.570 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.877 -4.590 -9.158 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.292 -5.719 -6.707 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.671 -6.154 -8.362 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -5.309 -7.650 -6.490 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.254 -6.334 -5.785 1.00 0.69 H new ATOM 963 N GLY A 282 -8.145 -2.191 -8.475 1.00 0.17 N ATOM 964 CA GLY A 282 -9.128 -1.177 -8.768 1.00 0.18 C ATOM 965 C GLY A 282 -9.489 -0.301 -7.580 1.00 0.16 C ATOM 966 O GLY A 282 -10.404 0.514 -7.664 1.00 0.28 O ATOM 0 H GLY A 282 -7.191 -1.844 -8.378 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.753 -0.544 -9.572 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -10.033 -1.659 -9.138 1.00 0.18 H new ATOM 970 N LYS A 283 -8.781 -0.459 -6.470 1.00 0.10 N ATOM 971 CA LYS A 283 -8.866 0.515 -5.394 1.00 0.10 C ATOM 972 C LYS A 283 -7.550 1.214 -5.294 1.00 0.09 C ATOM 973 O LYS A 283 -6.512 0.604 -5.488 1.00 0.12 O ATOM 974 CB LYS A 283 -9.164 -0.076 -4.016 1.00 0.11 C ATOM 975 CG LYS A 283 -10.407 -0.948 -3.942 1.00 0.15 C ATOM 976 CD LYS A 283 -10.185 -2.322 -4.551 1.00 0.14 C ATOM 977 CE LYS A 283 -11.472 -3.096 -4.680 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.348 -4.225 -5.641 1.00 0.38 N ATOM 0 H LYS A 283 -8.150 -1.241 -6.293 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.697 1.172 -5.649 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.305 -0.667 -3.698 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.270 0.741 -3.303 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.709 -1.059 -2.900 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.228 -0.452 -4.460 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.727 -2.213 -5.534 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.484 -2.884 -3.933 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.763 -3.482 -3.703 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.267 -2.426 -5.008 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.292 -4.492 -5.986 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.755 -3.934 -6.444 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.910 -5.039 -5.165 1.00 0.38 H new ATOM 992 N ARG A 284 -7.592 2.479 -4.984 1.00 0.07 N ATOM 993 CA ARG A 284 -6.390 3.254 -4.803 1.00 0.09 C ATOM 994 C ARG A 284 -6.543 4.172 -3.620 1.00 0.11 C ATOM 995 O ARG A 284 -7.649 4.590 -3.289 1.00 0.13 O ATOM 996 CB ARG A 284 -6.081 4.058 -6.032 1.00 0.11 C ATOM 997 CG ARG A 284 -6.238 3.247 -7.266 1.00 0.20 C ATOM 998 CD ARG A 284 -5.632 3.960 -8.427 1.00 0.35 C ATOM 999 NE ARG A 284 -4.209 3.666 -8.603 1.00 0.68 N ATOM 1000 CZ ARG A 284 -3.391 4.374 -9.385 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -3.842 5.441 -10.033 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -2.117 4.018 -9.516 1.00 1.46 N ATOM 0 H ARG A 284 -8.456 3.004 -4.849 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.564 2.566 -4.624 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.742 4.924 -6.078 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.061 4.438 -5.972 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.760 2.276 -7.136 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.295 3.059 -7.456 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -6.169 3.685 -9.335 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -5.761 5.034 -8.294 1.00 0.35 H new ATOM 0 HE ARG A 284 -3.818 2.871 -8.097 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -4.817 5.723 -9.935 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -3.213 5.979 -10.629 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -1.762 3.202 -9.018 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -1.495 4.561 -10.114 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.436 4.501 -3.008 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.476 5.257 -1.791 1.00 0.14 C ATOM 1018 C GLY A 285 -4.204 5.116 -1.016 1.00 0.15 C ATOM 1019 O GLY A 285 -3.291 4.485 -1.486 1.00 0.24 O ATOM 0 H GLY A 285 -4.500 4.257 -3.333 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.649 6.309 -2.020 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.314 4.922 -1.180 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.138 5.655 0.180 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.909 5.640 0.938 1.00 0.12 C ATOM 1025 C HIS A 286 -3.143 5.089 2.307 1.00 0.12 C ATOM 1026 O HIS A 286 -4.191 5.327 2.901 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.325 7.042 1.039 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.344 8.143 1.105 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.155 8.372 2.199 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.689 9.070 0.186 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -4.957 9.390 1.942 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.690 9.830 0.728 1.00 0.23 N ATOM 0 H HIS A 286 -4.922 6.109 0.649 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.198 4.999 0.417 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.695 7.095 1.927 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.679 7.215 0.178 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.255 9.190 -0.796 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.703 9.793 2.611 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.155 10.612 0.267 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.144 4.391 2.818 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.329 3.598 4.024 1.00 0.11 C ATOM 1043 C PHE A 287 -0.990 3.089 4.551 1.00 0.15 C ATOM 1044 O PHE A 287 -0.157 2.606 3.782 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.245 2.392 3.747 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.740 2.616 3.890 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.274 3.401 4.901 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.614 2.030 2.990 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.638 3.590 5.005 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.974 2.216 3.087 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.489 2.997 4.095 1.00 0.12 C ATOM 0 H PHE A 287 -1.204 4.356 2.423 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.791 4.243 4.772 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.050 2.044 2.733 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.957 1.586 4.421 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.615 3.870 5.616 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.220 1.414 2.195 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.039 4.202 5.799 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.636 1.749 2.373 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.556 3.146 4.174 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.766 3.218 5.868 1.00 0.17 N ATOM 1062 CA PRO A 288 0.415 2.691 6.557 1.00 0.23 C ATOM 1063 C PRO A 288 0.692 1.215 6.291 1.00 0.18 C ATOM 1064 O PRO A 288 -0.192 0.438 5.913 1.00 0.16 O ATOM 1065 CB PRO A 288 0.087 2.899 8.046 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.360 3.235 8.086 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.615 3.953 6.805 1.00 0.23 C ATOM 0 HA PRO A 288 1.315 3.199 6.210 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.298 2.000 8.625 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.689 3.701 8.473 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.973 2.337 8.166 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.598 3.861 8.946 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.666 3.915 6.519 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.339 5.006 6.866 1.00 0.23 H new ATOM 1075 N PHE A 289 1.944 0.848 6.489 1.00 0.23 N ATOM 1076 CA PHE A 289 2.383 -0.541 6.370 1.00 0.26 C ATOM 1077 C PHE A 289 1.946 -1.355 7.578 1.00 0.23 C ATOM 1078 O PHE A 289 1.988 -2.584 7.556 1.00 0.26 O ATOM 1079 CB PHE A 289 3.902 -0.618 6.203 1.00 0.38 C ATOM 1080 CG PHE A 289 4.489 -1.985 6.429 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.510 -2.914 5.410 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.026 -2.333 7.656 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.056 -4.169 5.603 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.569 -3.586 7.861 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.586 -4.505 6.832 1.00 0.26 C ATOM 0 H PHE A 289 2.689 1.499 6.737 1.00 0.23 H new ATOM 0 HA PHE A 289 1.914 -0.964 5.482 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.161 -0.288 5.197 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.367 0.082 6.898 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.094 -2.657 4.447 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.020 -1.616 8.463 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.068 -4.885 4.794 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.980 -3.846 8.825 1.00 0.31 H new ATOM 0 HZ PHE A 289 6.013 -5.485 6.988 1.00 0.26 H new ATOM 1095 N THR A 290 1.479 -0.660 8.607 1.00 0.24 N ATOM 1096 CA THR A 290 1.161 -1.257 9.891 1.00 0.27 C ATOM 1097 C THR A 290 0.113 -2.366 9.792 1.00 0.23 C ATOM 1098 O THR A 290 -0.251 -2.973 10.798 1.00 0.28 O ATOM 1099 CB THR A 290 0.655 -0.170 10.848 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.460 0.516 10.258 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.761 0.825 11.165 1.00 0.44 C ATOM 0 H THR A 290 1.310 0.345 8.570 1.00 0.24 H new ATOM 0 HA THR A 290 2.078 -1.712 10.266 1.00 0.27 H new ATOM 0 HB THR A 290 0.340 -0.646 11.777 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.781 1.208 10.873 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.381 1.587 11.845 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.596 0.304 11.634 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.100 1.298 10.243 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.347 -2.658 8.582 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.405 -3.618 8.397 1.00 0.16 C ATOM 1111 C HIS A 291 -1.343 -4.209 7.014 1.00 0.14 C ATOM 1112 O HIS A 291 -2.373 -4.521 6.408 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.789 -3.022 8.662 1.00 0.20 C ATOM 1114 CG HIS A 291 -3.009 -1.610 8.198 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.736 -0.609 8.745 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.525 -1.117 7.008 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.689 0.454 7.881 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.950 0.122 6.845 1.00 0.77 N flip ATOM 0 H HIS A 291 0.002 -2.239 7.720 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.251 -4.408 9.132 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.533 -3.659 8.183 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.979 -3.062 9.735 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.229 -0.640 9.637 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.897 -1.658 6.316 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -4.178 1.406 8.027 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.135 -4.334 6.494 1.00 0.16 N ATOM 1128 CA VAL A 292 0.080 -5.132 5.312 1.00 0.15 C ATOM 1129 C VAL A 292 1.231 -6.062 5.488 1.00 0.19 C ATOM 1130 O VAL A 292 2.247 -5.764 6.117 1.00 0.22 O ATOM 1131 CB VAL A 292 0.311 -4.277 4.059 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.915 -3.471 3.741 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.503 -3.367 4.252 1.00 0.31 C ATOM 0 H VAL A 292 0.704 -3.894 6.872 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.835 -5.707 5.169 1.00 0.15 H new ATOM 0 HB VAL A 292 0.516 -4.943 3.221 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.734 -2.870 2.850 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.755 -4.142 3.562 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.147 -2.815 4.580 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.653 -2.768 3.354 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.324 -2.708 5.102 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.393 -3.968 4.440 1.00 0.31 H new ATOM 1143 N ARG A 293 0.990 -7.215 4.966 1.00 0.22 N ATOM 1144 CA ARG A 293 1.995 -8.174 4.703 1.00 0.21 C ATOM 1145 C ARG A 293 2.336 -7.913 3.275 1.00 0.32 C ATOM 1146 O ARG A 293 1.563 -7.251 2.617 1.00 0.70 O ATOM 1147 CB ARG A 293 1.421 -9.561 4.848 1.00 0.19 C ATOM 1148 CG ARG A 293 0.291 -9.639 5.847 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.607 -10.822 5.577 1.00 0.26 C ATOM 1150 NE ARG A 293 0.143 -12.060 5.382 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.326 -13.273 5.661 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.542 -13.425 6.175 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.425 -14.339 5.427 1.00 0.60 N ATOM 0 H ARG A 293 0.054 -7.522 4.703 1.00 0.22 H new ATOM 0 HA ARG A 293 2.852 -8.108 5.374 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.062 -9.901 3.877 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.214 -10.245 5.152 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.700 -9.714 6.855 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.294 -8.720 5.808 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.298 -10.947 6.410 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.209 -10.622 4.691 1.00 0.26 H new ATOM 0 HE ARG A 293 1.089 -11.990 5.007 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.124 -12.608 6.359 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.893 -14.359 6.386 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.360 -14.228 5.034 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.068 -15.271 5.640 1.00 0.60 H new ATOM 1167 N LEU A 294 3.463 -8.317 2.793 1.00 0.18 N ATOM 1168 CA LEU A 294 3.707 -8.126 1.381 1.00 0.18 C ATOM 1169 C LEU A 294 3.861 -9.420 0.602 1.00 0.21 C ATOM 1170 O LEU A 294 3.906 -10.520 1.155 1.00 0.30 O ATOM 1171 CB LEU A 294 4.915 -7.249 1.123 1.00 0.22 C ATOM 1172 CG LEU A 294 5.220 -6.192 2.184 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.476 -5.430 1.823 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.053 -5.238 2.354 1.00 0.58 C ATOM 0 H LEU A 294 4.211 -8.766 3.321 1.00 0.18 H new ATOM 0 HA LEU A 294 2.808 -7.627 1.020 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.789 -7.892 1.018 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.774 -6.744 0.167 1.00 0.22 H new ATOM 0 HG LEU A 294 5.380 -6.702 3.134 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.680 -4.681 2.588 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.316 -6.122 1.760 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.339 -4.937 0.860 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.297 -4.497 3.115 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.853 -4.735 1.408 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.169 -5.796 2.662 1.00 0.58 H new ATOM 1186 N LEU A 295 3.910 -9.233 -0.708 1.00 0.20 N ATOM 1187 CA LEU A 295 4.049 -10.265 -1.685 1.00 0.22 C ATOM 1188 C LEU A 295 5.122 -9.863 -2.703 1.00 0.28 C ATOM 1189 O LEU A 295 5.800 -8.851 -2.533 1.00 0.31 O ATOM 1190 CB LEU A 295 2.729 -10.383 -2.404 1.00 0.23 C ATOM 1191 CG LEU A 295 2.017 -11.717 -2.315 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.276 -11.781 -1.000 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.066 -11.891 -3.486 1.00 0.28 C ATOM 0 H LEU A 295 3.850 -8.304 -1.124 1.00 0.20 H new ATOM 0 HA LEU A 295 4.332 -11.205 -1.211 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.061 -9.615 -2.014 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.895 -10.157 -3.457 1.00 0.23 H new ATOM 0 HG LEU A 295 2.743 -12.529 -2.360 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.758 -12.737 -0.921 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.985 -11.683 -0.178 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.550 -10.969 -0.952 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.563 -12.855 -3.406 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.324 -11.092 -3.474 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.627 -11.851 -4.420 1.00 0.28 H new ATOM 1205 N ASP A 296 5.200 -10.598 -3.804 1.00 0.39 N ATOM 1206 CA ASP A 296 6.255 -10.392 -4.787 1.00 0.50 C ATOM 1207 C ASP A 296 5.684 -9.882 -6.112 1.00 0.73 C ATOM 1208 O ASP A 296 5.470 -10.656 -7.042 1.00 1.81 O ATOM 1209 CB ASP A 296 7.035 -11.692 -5.001 1.00 0.84 C ATOM 1210 CG ASP A 296 8.218 -11.526 -5.934 1.00 1.76 C ATOM 1211 OD1 ASP A 296 9.231 -10.926 -5.515 1.00 2.44 O ATOM 1212 OD2 ASP A 296 8.134 -11.975 -7.098 1.00 2.42 O ATOM 0 H ASP A 296 4.544 -11.343 -4.039 1.00 0.39 H new ATOM 0 HA ASP A 296 6.935 -9.631 -4.404 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.388 -12.060 -4.038 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.364 -12.450 -5.405 1.00 0.84 H new ATOM 1217 N GLN A 297 5.397 -8.573 -6.136 1.00 0.53 N ATOM 1218 CA GLN A 297 4.931 -7.828 -7.337 1.00 0.41 C ATOM 1219 C GLN A 297 4.062 -8.663 -8.280 1.00 0.64 C ATOM 1220 O GLN A 297 2.840 -8.722 -8.064 1.00 1.25 O ATOM 1221 CB GLN A 297 6.111 -7.236 -8.118 1.00 0.51 C ATOM 1222 CG GLN A 297 7.408 -8.007 -7.986 1.00 0.88 C ATOM 1223 CD GLN A 297 8.475 -7.477 -8.916 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.675 -7.989 -10.015 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.115 -6.397 -8.504 1.00 1.02 N ATOM 1226 OXT GLN A 297 4.602 -9.227 -9.255 1.00 1.41 O ATOM 0 H GLN A 297 5.481 -7.981 -5.309 1.00 0.53 H new ATOM 0 HA GLN A 297 4.305 -7.024 -6.950 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.841 -7.183 -9.173 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.276 -6.213 -7.780 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.762 -7.949 -6.957 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.228 -9.060 -8.202 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.916 -6.007 -7.583 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.808 -5.954 -9.107 1.00 1.02 H new