USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 438 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 434 CYS SG : rot -58:sc= 0.337 USER MOD Set 1.2: A 436 THR OG1 : rot 172:sc= 0.384 USER MOD Set 1.3: A 439 CYS SG : rot 43:sc= -2.97! USER MOD Set 1.4: A 463 HIS : no HD1:sc= -0.0317 X(o=-3.4,f=-3.8) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -1.1 X(o=-3.4,f=-3.4) USER MOD Set 2.1: A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 431 TYR OH : rot 0:sc= -0.855 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= -0.787 USER MOD Single : A 419 GLN : amide:sc=-0.00423 X(o=-0.0042,f=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot -70:sc= 0.668 USER MOD Single : A 443 LYS NZ :NH3+ -155:sc= -1.71 (180deg=-3.07!) USER MOD Single : A 444 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.37) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 453 LYS NZ :NH3+ -164:sc=-0.00254 (180deg=-0.0858) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.388 K(o=-0.39,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.955 10.499 8.816 1.00 0.00 N ATOM 186 CA TYR A 412 -0.213 10.886 8.034 1.00 0.00 C ATOM 187 C TYR A 412 -1.492 10.348 8.666 1.00 0.00 C ATOM 188 O TYR A 412 -1.449 9.624 9.659 1.00 0.00 O ATOM 189 CB TYR A 412 -0.085 10.374 6.599 1.00 0.00 C ATOM 190 CG TYR A 412 1.161 10.859 5.891 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.554 12.189 5.972 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.941 9.988 5.142 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.692 12.637 5.327 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.080 10.428 4.495 1.00 0.00 C ATOM 195 CZ TYR A 412 3.450 11.752 4.590 1.00 0.00 C ATOM 196 OH TYR A 412 4.583 12.195 3.947 1.00 0.00 O ATOM 0 HA TYR A 412 -0.266 11.975 8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.086 9.284 6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.961 10.688 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.961 12.884 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.653 8.950 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.985 13.674 5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.677 9.738 3.918 1.00 0.00 H new ATOM 0 HH TYR A 412 5.004 11.447 3.473 1.00 0.00 H new ATOM 206 N ARG A 413 -2.631 10.711 8.083 1.00 0.00 N ATOM 207 CA ARG A 413 -3.923 10.266 8.589 1.00 0.00 C ATOM 208 C ARG A 413 -4.591 9.306 7.609 1.00 0.00 C ATOM 209 O ARG A 413 -5.245 9.732 6.656 1.00 0.00 O ATOM 210 CB ARG A 413 -4.834 11.468 8.847 1.00 0.00 C ATOM 211 CG ARG A 413 -5.552 11.411 10.185 1.00 0.00 C ATOM 212 CD ARG A 413 -6.888 10.692 10.069 1.00 0.00 C ATOM 213 NE ARG A 413 -7.535 10.527 11.368 1.00 0.00 N ATOM 214 CZ ARG A 413 -8.513 9.656 11.602 1.00 0.00 C ATOM 215 NH1 ARG A 413 -8.961 8.871 10.631 1.00 0.00 N ATOM 216 NH2 ARG A 413 -9.047 9.570 12.814 1.00 0.00 N ATOM 0 H ARG A 413 -2.684 11.312 7.260 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.755 9.738 9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.239 12.380 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.574 11.530 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -4.924 10.900 10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -5.713 12.423 10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -7.545 11.253 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -6.735 9.714 9.613 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.219 11.113 12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -8.555 8.933 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -9.711 8.206 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -8.708 10.171 13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -9.797 8.903 12.995 1.00 0.00 H new ATOM 230 N TRP A 414 -4.418 8.010 7.846 1.00 0.00 N ATOM 231 CA TRP A 414 -5.004 6.990 6.983 1.00 0.00 C ATOM 232 C TRP A 414 -6.293 6.442 7.587 1.00 0.00 C ATOM 233 O TRP A 414 -6.567 6.634 8.770 1.00 0.00 O ATOM 234 CB TRP A 414 -4.010 5.851 6.756 1.00 0.00 C ATOM 235 CG TRP A 414 -2.682 6.314 6.240 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.593 6.669 6.984 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.301 6.473 4.869 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.560 7.039 6.158 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.970 6.928 4.855 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.958 6.275 3.650 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.282 7.187 3.671 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.275 6.533 2.477 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.950 6.985 2.494 1.00 0.00 C ATOM 0 H TRP A 414 -3.877 7.641 8.628 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.240 7.453 6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.861 5.317 7.694 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.438 5.140 6.049 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.550 6.660 8.063 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.363 7.347 6.465 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.980 5.927 3.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.741 7.534 3.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.772 6.383 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.445 7.178 1.559 1.00 0.00 H new ATOM 254 N ARG A 415 -7.081 5.760 6.762 1.00 0.00 N ATOM 255 CA ARG A 415 -8.341 5.182 7.214 1.00 0.00 C ATOM 256 C ARG A 415 -8.744 4.005 6.334 1.00 0.00 C ATOM 257 O ARG A 415 -8.361 3.930 5.166 1.00 0.00 O ATOM 258 CB ARG A 415 -9.444 6.242 7.203 1.00 0.00 C ATOM 259 CG ARG A 415 -10.500 6.031 8.277 1.00 0.00 C ATOM 260 CD ARG A 415 -11.625 7.048 8.162 1.00 0.00 C ATOM 261 NE ARG A 415 -12.940 6.426 8.293 1.00 0.00 N ATOM 262 CZ ARG A 415 -13.383 5.856 9.410 1.00 0.00 C ATOM 263 NH1 ARG A 415 -12.620 5.825 10.496 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.593 5.316 9.443 1.00 0.00 N ATOM 0 H ARG A 415 -6.869 5.594 5.778 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.203 4.821 8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.993 7.225 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.926 6.243 6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -10.909 5.024 8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.039 6.107 9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.506 7.809 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -11.558 7.555 7.200 1.00 0.00 H new ATOM 0 HE ARG A 415 -13.555 6.429 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -11.688 6.240 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -12.965 5.386 11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -15.184 5.338 8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -14.933 4.879 10.299 1.00 0.00 H new ATOM 278 N LYS A 416 -9.520 3.087 6.901 1.00 0.00 N ATOM 279 CA LYS A 416 -9.974 1.912 6.167 1.00 0.00 C ATOM 280 C LYS A 416 -11.367 2.137 5.590 1.00 0.00 C ATOM 281 O LYS A 416 -12.288 2.538 6.301 1.00 0.00 O ATOM 282 CB LYS A 416 -9.978 0.685 7.080 1.00 0.00 C ATOM 283 CG LYS A 416 -9.512 -0.587 6.391 1.00 0.00 C ATOM 284 CD LYS A 416 -9.673 -1.799 7.294 1.00 0.00 C ATOM 285 CE LYS A 416 -8.721 -1.744 8.478 1.00 0.00 C ATOM 286 NZ LYS A 416 -9.409 -2.070 9.758 1.00 0.00 N ATOM 0 H LYS A 416 -9.847 3.134 7.866 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.283 1.739 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.336 0.879 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.986 0.532 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.083 -0.736 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -8.466 -0.483 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -10.700 -1.851 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -9.490 -2.708 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -7.901 -2.444 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -8.282 -0.749 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -8.726 -2.022 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -10.175 -1.387 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -9.806 -3.030 9.704 1.00 0.00 H new ATOM 300 N TYR A 417 -11.515 1.876 4.295 1.00 0.00 N ATOM 301 CA TYR A 417 -12.796 2.052 3.620 1.00 0.00 C ATOM 302 C TYR A 417 -13.378 0.707 3.196 1.00 0.00 C ATOM 303 O TYR A 417 -14.594 0.524 3.180 1.00 0.00 O ATOM 304 CB TYR A 417 -12.631 2.960 2.401 1.00 0.00 C ATOM 305 CG TYR A 417 -11.710 2.392 1.343 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.332 2.522 1.453 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.220 1.727 0.235 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.488 2.005 0.490 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.382 1.207 -0.733 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.017 1.349 -0.601 1.00 0.00 C ATOM 311 OH TYR A 417 -9.180 0.832 -1.562 1.00 0.00 O ATOM 0 H TYR A 417 -10.763 1.542 3.692 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.488 2.519 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.610 3.142 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.244 3.925 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.913 3.036 2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.289 1.615 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.418 2.114 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.794 0.692 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.713 0.401 -2.262 1.00 0.00 H new ATOM 321 N GLY A 418 -12.500 -0.232 2.853 1.00 0.00 N ATOM 322 CA GLY A 418 -12.949 -1.547 2.433 1.00 0.00 C ATOM 323 C GLY A 418 -11.849 -2.589 2.515 1.00 0.00 C ATOM 324 O GLY A 418 -10.697 -2.312 2.180 1.00 0.00 O ATOM 0 H GLY A 418 -11.488 -0.106 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.787 -1.858 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.317 -1.492 1.409 1.00 0.00 H new ATOM 328 N GLN A 419 -12.206 -3.788 2.963 1.00 0.00 N ATOM 329 CA GLN A 419 -11.241 -4.875 3.090 1.00 0.00 C ATOM 330 C GLN A 419 -11.753 -6.143 2.412 1.00 0.00 C ATOM 331 O GLN A 419 -12.802 -6.673 2.777 1.00 0.00 O ATOM 332 CB GLN A 419 -10.950 -5.155 4.565 1.00 0.00 C ATOM 333 CG GLN A 419 -12.203 -5.302 5.414 1.00 0.00 C ATOM 334 CD GLN A 419 -11.912 -5.869 6.789 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.264 -7.010 7.089 1.00 0.00 O ATOM 336 NE2 GLN A 419 -11.267 -5.073 7.634 1.00 0.00 N ATOM 0 H GLN A 419 -13.156 -4.032 3.244 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.320 -4.568 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.359 -6.067 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.341 -4.345 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.682 -4.329 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -12.912 -5.951 4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -10.994 -4.134 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -11.044 -5.400 8.574 1.00 0.00 H new ATOM 345 N LYS A 420 -11.007 -6.623 1.422 1.00 0.00 N ATOM 346 CA LYS A 420 -11.387 -7.829 0.694 1.00 0.00 C ATOM 347 C LYS A 420 -10.849 -9.076 1.389 1.00 0.00 C ATOM 348 O LYS A 420 -10.118 -8.984 2.376 1.00 0.00 O ATOM 349 CB LYS A 420 -10.865 -7.769 -0.742 1.00 0.00 C ATOM 350 CG LYS A 420 -11.653 -6.826 -1.637 1.00 0.00 C ATOM 351 CD LYS A 420 -11.774 -7.370 -3.052 1.00 0.00 C ATOM 352 CE LYS A 420 -10.444 -7.321 -3.784 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.353 -6.144 -4.691 1.00 0.00 N ATOM 0 H LYS A 420 -10.136 -6.196 1.106 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.475 -7.884 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.821 -7.455 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.891 -8.771 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.648 -6.673 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -11.164 -5.852 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.134 -8.398 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.515 -6.791 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.631 -7.284 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -10.314 -8.236 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -9.431 -6.147 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -11.113 -6.192 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -10.452 -5.270 -4.136 1.00 0.00 H new ATOM 367 N VAL A 421 -11.218 -10.242 0.869 1.00 0.00 N ATOM 368 CA VAL A 421 -10.774 -11.508 1.440 1.00 0.00 C ATOM 369 C VAL A 421 -10.324 -12.477 0.350 1.00 0.00 C ATOM 370 O VAL A 421 -10.949 -12.568 -0.707 1.00 0.00 O ATOM 371 CB VAL A 421 -11.889 -12.168 2.278 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.099 -12.480 1.410 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.374 -13.427 2.960 1.00 0.00 C ATOM 0 H VAL A 421 -11.823 -10.336 0.053 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.928 -11.284 2.090 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.198 -11.465 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.874 -12.945 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.483 -11.557 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.808 -13.162 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.175 -13.877 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.034 -14.136 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.544 -13.171 3.618 1.00 0.00 H new ATOM 383 N VAL A 422 -9.239 -13.196 0.614 1.00 0.00 N ATOM 384 CA VAL A 422 -8.706 -14.157 -0.344 1.00 0.00 C ATOM 385 C VAL A 422 -8.772 -15.578 0.207 1.00 0.00 C ATOM 386 O VAL A 422 -8.188 -15.878 1.248 1.00 0.00 O ATOM 387 CB VAL A 422 -7.247 -13.830 -0.714 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.774 -14.717 -1.857 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.104 -12.360 -1.076 1.00 0.00 C ATOM 0 H VAL A 422 -8.711 -13.131 1.484 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.325 -14.088 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.618 -14.029 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.741 -14.472 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.836 -15.763 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.405 -14.553 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.066 -12.148 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.744 -12.131 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.399 -11.745 -0.225 1.00 0.00 H new ATOM 399 N LYS A 423 -9.488 -16.448 -0.498 1.00 0.00 N ATOM 400 CA LYS A 423 -9.632 -17.837 -0.079 1.00 0.00 C ATOM 401 C LYS A 423 -8.277 -18.534 -0.030 1.00 0.00 C ATOM 402 O LYS A 423 -7.621 -18.716 -1.055 1.00 0.00 O ATOM 403 CB LYS A 423 -10.567 -18.585 -1.032 1.00 0.00 C ATOM 404 CG LYS A 423 -11.315 -19.732 -0.373 1.00 0.00 C ATOM 405 CD LYS A 423 -12.723 -19.872 -0.931 1.00 0.00 C ATOM 406 CE LYS A 423 -13.671 -18.859 -0.310 1.00 0.00 C ATOM 407 NZ LYS A 423 -15.097 -19.216 -0.547 1.00 0.00 N ATOM 0 H LYS A 423 -9.977 -16.215 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.062 -17.845 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -11.289 -17.881 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.985 -18.974 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -10.767 -20.662 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.364 -19.566 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.702 -19.737 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -13.092 -20.880 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -13.485 -18.798 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -13.470 -17.871 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -15.711 -18.501 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -15.281 -19.250 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -15.296 -20.147 -0.129 1.00 0.00 H new ATOM 421 N GLY A 424 -7.861 -18.923 1.172 1.00 0.00 N ATOM 422 CA GLY A 424 -6.585 -19.598 1.335 1.00 0.00 C ATOM 423 C GLY A 424 -5.589 -18.774 2.128 1.00 0.00 C ATOM 424 O GLY A 424 -4.705 -19.323 2.784 1.00 0.00 O ATOM 0 H GLY A 424 -8.385 -18.783 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.744 -20.552 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.167 -19.821 0.353 1.00 0.00 H new ATOM 428 N ASN A 425 -5.733 -17.455 2.067 1.00 0.00 N ATOM 429 CA ASN A 425 -4.836 -16.556 2.784 1.00 0.00 C ATOM 430 C ASN A 425 -5.347 -16.296 4.202 1.00 0.00 C ATOM 431 O ASN A 425 -6.527 -16.011 4.401 1.00 0.00 O ATOM 432 CB ASN A 425 -4.699 -15.231 2.032 1.00 0.00 C ATOM 433 CG ASN A 425 -3.773 -15.339 0.836 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.771 -16.346 0.126 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.978 -14.299 0.608 1.00 0.00 N ATOM 0 H ASN A 425 -6.461 -16.985 1.529 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.858 -17.033 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.683 -14.902 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.322 -14.467 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.332 -14.314 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.014 -13.486 1.222 1.00 0.00 H new ATOM 442 N PRO A 426 -4.461 -16.392 5.211 1.00 0.00 N ATOM 443 CA PRO A 426 -4.835 -16.166 6.609 1.00 0.00 C ATOM 444 C PRO A 426 -5.005 -14.685 6.933 1.00 0.00 C ATOM 445 O PRO A 426 -5.743 -14.320 7.848 1.00 0.00 O ATOM 446 CB PRO A 426 -3.653 -16.749 7.383 1.00 0.00 C ATOM 447 CG PRO A 426 -2.489 -16.582 6.468 1.00 0.00 C ATOM 448 CD PRO A 426 -3.030 -16.728 5.071 1.00 0.00 C ATOM 0 HA PRO A 426 -5.794 -16.621 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.497 -16.222 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.818 -17.798 7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.023 -15.606 6.605 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.724 -17.332 6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.528 -16.056 4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.892 -17.741 4.692 1.00 0.00 H new ATOM 456 N TYR A 427 -4.314 -13.836 6.178 1.00 0.00 N ATOM 457 CA TYR A 427 -4.389 -12.395 6.386 1.00 0.00 C ATOM 458 C TYR A 427 -5.190 -11.722 5.273 1.00 0.00 C ATOM 459 O TYR A 427 -4.671 -11.484 4.182 1.00 0.00 O ATOM 460 CB TYR A 427 -2.981 -11.797 6.445 1.00 0.00 C ATOM 461 CG TYR A 427 -2.068 -12.494 7.429 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.384 -12.549 8.780 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.891 -13.097 7.005 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.553 -13.187 9.683 1.00 0.00 C ATOM 465 CE2 TYR A 427 -0.054 -13.737 7.900 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.389 -13.777 9.236 1.00 0.00 C ATOM 467 OH TYR A 427 0.441 -14.412 10.131 1.00 0.00 O ATOM 0 H TYR A 427 -3.697 -14.121 5.418 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.897 -12.216 7.333 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.534 -11.843 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -3.054 -10.743 6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.294 -12.086 9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.625 -13.065 5.959 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.814 -13.223 10.730 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.857 -14.203 7.554 1.00 0.00 H new ATOM 0 HH TYR A 427 1.217 -14.776 9.656 1.00 0.00 H new ATOM 477 N PRO A 428 -6.471 -11.403 5.531 1.00 0.00 N ATOM 478 CA PRO A 428 -7.337 -10.754 4.541 1.00 0.00 C ATOM 479 C PRO A 428 -6.685 -9.524 3.919 1.00 0.00 C ATOM 480 O PRO A 428 -5.611 -9.097 4.342 1.00 0.00 O ATOM 481 CB PRO A 428 -8.568 -10.351 5.356 1.00 0.00 C ATOM 482 CG PRO A 428 -8.609 -11.327 6.482 1.00 0.00 C ATOM 483 CD PRO A 428 -7.177 -11.648 6.805 1.00 0.00 C ATOM 0 HA PRO A 428 -7.561 -11.413 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.484 -9.327 5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.476 -10.401 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -9.118 -10.903 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -9.156 -12.226 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.794 -11.013 7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -7.062 -12.680 7.135 1.00 0.00 H new ATOM 491 N ARG A 429 -7.341 -8.957 2.911 1.00 0.00 N ATOM 492 CA ARG A 429 -6.823 -7.775 2.230 1.00 0.00 C ATOM 493 C ARG A 429 -7.122 -6.512 3.032 1.00 0.00 C ATOM 494 O ARG A 429 -8.150 -6.418 3.701 1.00 0.00 O ATOM 495 CB ARG A 429 -7.430 -7.661 0.830 1.00 0.00 C ATOM 496 CG ARG A 429 -7.037 -8.798 -0.096 1.00 0.00 C ATOM 497 CD ARG A 429 -5.861 -8.415 -0.980 1.00 0.00 C ATOM 498 NE ARG A 429 -5.401 -9.537 -1.797 1.00 0.00 N ATOM 499 CZ ARG A 429 -6.039 -9.975 -2.880 1.00 0.00 C ATOM 500 NH1 ARG A 429 -7.161 -9.390 -3.280 1.00 0.00 N ATOM 501 NH2 ARG A 429 -5.551 -11.000 -3.566 1.00 0.00 N ATOM 0 H ARG A 429 -8.232 -9.297 2.548 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.742 -7.880 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -8.516 -7.632 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.119 -6.716 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -6.779 -9.677 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -7.888 -9.072 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.150 -7.588 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -5.040 -8.060 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.541 -10.012 -1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -7.539 -8.600 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -7.645 -9.730 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -4.688 -11.452 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -6.039 -11.337 -4.396 1.00 0.00 H new ATOM 515 N SER A 430 -6.216 -5.543 2.955 1.00 0.00 N ATOM 516 CA SER A 430 -6.381 -4.284 3.672 1.00 0.00 C ATOM 517 C SER A 430 -6.153 -3.095 2.743 1.00 0.00 C ATOM 518 O SER A 430 -5.079 -2.948 2.159 1.00 0.00 O ATOM 519 CB SER A 430 -5.413 -4.215 4.856 1.00 0.00 C ATOM 520 OG SER A 430 -5.616 -5.299 5.744 1.00 0.00 O ATOM 0 H SER A 430 -5.360 -5.605 2.403 1.00 0.00 H new ATOM 0 HA SER A 430 -7.404 -4.239 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 430 -4.386 -4.227 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 430 -5.551 -3.274 5.388 1.00 0.00 H new ATOM 0 HG SER A 430 -4.985 -5.233 6.491 1.00 0.00 H new ATOM 526 N TYR A 431 -7.170 -2.249 2.611 1.00 0.00 N ATOM 527 CA TYR A 431 -7.080 -1.075 1.751 1.00 0.00 C ATOM 528 C TYR A 431 -7.367 0.199 2.537 1.00 0.00 C ATOM 529 O TYR A 431 -8.500 0.444 2.950 1.00 0.00 O ATOM 530 CB TYR A 431 -8.061 -1.197 0.583 1.00 0.00 C ATOM 531 CG TYR A 431 -7.869 -2.449 -0.244 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.784 -2.578 -1.102 1.00 0.00 C ATOM 533 CD2 TYR A 431 -8.774 -3.500 -0.165 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.607 -3.720 -1.859 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.603 -4.645 -0.920 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.519 -4.751 -1.765 1.00 0.00 C ATOM 537 OH TYR A 431 -7.345 -5.889 -2.518 1.00 0.00 O ATOM 0 H TYR A 431 -8.065 -2.355 3.088 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.064 -1.019 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.079 -1.182 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.953 -0.326 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.068 -1.773 -1.178 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.624 -3.421 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.758 -3.805 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.316 -5.453 -0.848 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.533 -5.802 -3.060 1.00 0.00 H new ATOM 547 N TYR A 432 -6.332 1.010 2.738 1.00 0.00 N ATOM 548 CA TYR A 432 -6.473 2.262 3.473 1.00 0.00 C ATOM 549 C TYR A 432 -6.386 3.457 2.529 1.00 0.00 C ATOM 550 O TYR A 432 -6.294 3.292 1.312 1.00 0.00 O ATOM 551 CB TYR A 432 -5.395 2.369 4.553 1.00 0.00 C ATOM 552 CG TYR A 432 -5.372 1.195 5.505 1.00 0.00 C ATOM 553 CD1 TYR A 432 -4.675 0.035 5.193 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.048 1.246 6.718 1.00 0.00 C ATOM 555 CE1 TYR A 432 -4.652 -1.041 6.060 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.029 0.176 7.592 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.330 -0.964 7.259 1.00 0.00 C ATOM 558 OH TYR A 432 -5.309 -2.032 8.126 1.00 0.00 O ATOM 0 H TYR A 432 -5.387 0.822 2.402 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.454 2.268 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.420 2.456 4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.553 3.285 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.141 -0.027 4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.598 2.137 6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.107 -1.936 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.559 0.233 8.531 1.00 0.00 H new ATOM 0 HH TYR A 432 -5.834 -1.816 8.924 1.00 0.00 H new ATOM 568 N LYS A 433 -6.414 4.657 3.095 1.00 0.00 N ATOM 569 CA LYS A 433 -6.337 5.878 2.300 1.00 0.00 C ATOM 570 C LYS A 433 -6.143 7.101 3.190 1.00 0.00 C ATOM 571 O LYS A 433 -6.809 7.247 4.216 1.00 0.00 O ATOM 572 CB LYS A 433 -7.604 6.042 1.458 1.00 0.00 C ATOM 573 CG LYS A 433 -8.884 6.039 2.278 1.00 0.00 C ATOM 574 CD LYS A 433 -9.950 6.924 1.653 1.00 0.00 C ATOM 575 CE LYS A 433 -11.313 6.251 1.667 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.414 7.220 1.411 1.00 0.00 N ATOM 0 H LYS A 433 -6.489 4.812 4.100 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.475 5.795 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.541 6.977 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.650 5.237 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.260 5.020 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.670 6.385 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.004 7.868 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -9.671 7.161 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.338 5.466 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.470 5.770 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -13.326 6.721 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.407 7.956 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.279 7.661 0.479 1.00 0.00 H new ATOM 590 N CYS A 434 -5.227 7.976 2.791 1.00 0.00 N ATOM 591 CA CYS A 434 -4.945 9.189 3.550 1.00 0.00 C ATOM 592 C CYS A 434 -6.069 10.206 3.379 1.00 0.00 C ATOM 593 O CYS A 434 -6.056 11.007 2.445 1.00 0.00 O ATOM 594 CB CYS A 434 -3.616 9.797 3.101 1.00 0.00 C ATOM 595 SG CYS A 434 -2.929 11.007 4.257 1.00 0.00 S ATOM 0 H CYS A 434 -4.667 7.868 1.946 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.876 8.924 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.892 8.995 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.757 10.276 2.132 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.787 11.966 4.442 1.00 0.00 H new ATOM 600 N THR A 435 -7.039 10.165 4.287 1.00 0.00 N ATOM 601 CA THR A 435 -8.174 11.081 4.235 1.00 0.00 C ATOM 602 C THR A 435 -7.920 12.322 5.087 1.00 0.00 C ATOM 603 O THR A 435 -8.534 12.503 6.140 1.00 0.00 O ATOM 604 CB THR A 435 -9.468 10.398 4.712 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.511 11.370 4.851 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.251 9.688 6.039 1.00 0.00 C ATOM 0 H THR A 435 -7.062 9.508 5.067 1.00 0.00 H new ATOM 0 HA THR A 435 -8.293 11.379 3.193 1.00 0.00 H new ATOM 0 HB THR A 435 -9.757 9.657 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.317 11.951 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.180 9.214 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.477 8.929 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.940 10.412 6.792 1.00 0.00 H new ATOM 614 N THR A 436 -7.015 13.178 4.623 1.00 0.00 N ATOM 615 CA THR A 436 -6.684 14.403 5.338 1.00 0.00 C ATOM 616 C THR A 436 -7.402 15.604 4.723 1.00 0.00 C ATOM 617 O THR A 436 -7.869 15.539 3.586 1.00 0.00 O ATOM 618 CB THR A 436 -5.162 14.663 5.335 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.479 13.568 4.715 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.638 14.853 6.752 1.00 0.00 C ATOM 0 H THR A 436 -6.498 13.045 3.754 1.00 0.00 H new ATOM 0 HA THR A 436 -7.016 14.273 6.368 1.00 0.00 H new ATOM 0 HB THR A 436 -4.976 15.577 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.532 13.795 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.564 15.034 6.721 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.137 15.705 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.838 13.955 7.337 1.00 0.00 H new ATOM 628 N PRO A 437 -7.503 16.718 5.467 1.00 0.00 N ATOM 629 CA PRO A 437 -8.171 17.932 4.985 1.00 0.00 C ATOM 630 C PRO A 437 -7.640 18.381 3.627 1.00 0.00 C ATOM 631 O PRO A 437 -6.689 19.158 3.547 1.00 0.00 O ATOM 632 CB PRO A 437 -7.843 18.971 6.060 1.00 0.00 C ATOM 633 CG PRO A 437 -7.600 18.173 7.294 1.00 0.00 C ATOM 634 CD PRO A 437 -6.974 16.885 6.836 1.00 0.00 C ATOM 0 HA PRO A 437 -9.240 17.779 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.966 19.558 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.666 19.672 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.941 18.705 7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.532 17.986 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.886 16.942 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.253 16.051 7.480 1.00 0.00 H new ATOM 642 N GLY A 438 -8.262 17.886 2.562 1.00 0.00 N ATOM 643 CA GLY A 438 -7.838 18.247 1.222 1.00 0.00 C ATOM 644 C GLY A 438 -7.034 17.150 0.552 1.00 0.00 C ATOM 645 O GLY A 438 -6.979 17.074 -0.676 1.00 0.00 O ATOM 0 H GLY A 438 -9.052 17.242 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.715 18.472 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -7.239 19.157 1.267 1.00 0.00 H new ATOM 649 N CYS A 439 -6.410 16.297 1.359 1.00 0.00 N ATOM 650 CA CYS A 439 -5.604 15.200 0.834 1.00 0.00 C ATOM 651 C CYS A 439 -6.460 13.960 0.595 1.00 0.00 C ATOM 652 O CYS A 439 -7.257 13.569 1.447 1.00 0.00 O ATOM 653 CB CYS A 439 -4.466 14.869 1.802 1.00 0.00 C ATOM 654 SG CYS A 439 -3.322 13.609 1.191 1.00 0.00 S ATOM 0 H CYS A 439 -6.447 16.344 2.377 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.182 15.516 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.907 15.780 2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.893 14.530 2.746 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.056 13.835 -0.061 1.00 0.00 H new ATOM 659 N GLY A 440 -6.285 13.343 -0.570 1.00 0.00 N ATOM 660 CA GLY A 440 -7.045 12.153 -0.901 1.00 0.00 C ATOM 661 C GLY A 440 -6.183 11.075 -1.531 1.00 0.00 C ATOM 662 O GLY A 440 -6.397 10.694 -2.682 1.00 0.00 O ATOM 0 H GLY A 440 -5.630 13.647 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.512 11.760 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.850 12.418 -1.586 1.00 0.00 H new ATOM 666 N VAL A 441 -5.208 10.583 -0.774 1.00 0.00 N ATOM 667 CA VAL A 441 -4.310 9.545 -1.265 1.00 0.00 C ATOM 668 C VAL A 441 -4.808 8.156 -0.874 1.00 0.00 C ATOM 669 O VAL A 441 -5.587 8.008 0.066 1.00 0.00 O ATOM 670 CB VAL A 441 -2.880 9.737 -0.723 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.925 8.745 -1.368 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.410 11.167 -0.953 1.00 0.00 C ATOM 0 H VAL A 441 -5.020 10.886 0.181 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.293 9.629 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.890 9.549 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.921 8.897 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.252 7.729 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.916 8.897 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.399 11.285 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.416 11.385 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.079 11.857 -0.439 1.00 0.00 H new ATOM 682 N ARG A 442 -4.353 7.145 -1.606 1.00 0.00 N ATOM 683 CA ARG A 442 -4.752 5.769 -1.337 1.00 0.00 C ATOM 684 C ARG A 442 -3.543 4.839 -1.354 1.00 0.00 C ATOM 685 O ARG A 442 -2.568 5.083 -2.066 1.00 0.00 O ATOM 686 CB ARG A 442 -5.780 5.303 -2.370 1.00 0.00 C ATOM 687 CG ARG A 442 -7.022 6.178 -2.429 1.00 0.00 C ATOM 688 CD ARG A 442 -8.236 5.464 -1.856 1.00 0.00 C ATOM 689 NE ARG A 442 -9.042 4.832 -2.899 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.691 5.508 -3.845 1.00 0.00 C ATOM 691 NH1 ARG A 442 -9.633 6.833 -3.884 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.400 4.855 -4.757 1.00 0.00 N ATOM 0 H ARG A 442 -3.708 7.252 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.201 5.735 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.311 5.285 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.077 4.280 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -6.845 7.100 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.220 6.461 -3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -7.909 4.708 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.850 6.177 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.111 3.814 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -9.089 7.340 -3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -10.133 7.344 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -10.447 3.836 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.898 5.372 -5.482 1.00 0.00 H new ATOM 706 N LYS A 443 -3.613 3.771 -0.564 1.00 0.00 N ATOM 707 CA LYS A 443 -2.522 2.805 -0.489 1.00 0.00 C ATOM 708 C LYS A 443 -3.058 1.397 -0.245 1.00 0.00 C ATOM 709 O LYS A 443 -3.887 1.183 0.640 1.00 0.00 O ATOM 710 CB LYS A 443 -1.545 3.193 0.622 1.00 0.00 C ATOM 711 CG LYS A 443 -2.150 3.130 2.016 1.00 0.00 C ATOM 712 CD LYS A 443 -1.112 3.422 3.086 1.00 0.00 C ATOM 713 CE LYS A 443 -1.414 2.676 4.376 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.574 1.455 4.523 1.00 0.00 N ATOM 0 H LYS A 443 -4.412 3.553 0.032 1.00 0.00 H new ATOM 0 HA LYS A 443 -1.996 2.813 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.680 2.531 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.182 4.204 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.966 3.849 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.579 2.142 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.124 3.138 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.083 4.494 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.244 3.337 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.467 2.396 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.060 0.772 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.416 1.028 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 0.341 1.712 4.945 1.00 0.00 H new ATOM 728 N HIS A 444 -2.579 0.444 -1.036 1.00 0.00 N ATOM 729 CA HIS A 444 -3.010 -0.944 -0.905 1.00 0.00 C ATOM 730 C HIS A 444 -2.005 -1.749 -0.087 1.00 0.00 C ATOM 731 O HIS A 444 -0.837 -1.865 -0.458 1.00 0.00 O ATOM 732 CB HIS A 444 -3.185 -1.577 -2.285 1.00 0.00 C ATOM 733 CG HIS A 444 -3.946 -0.718 -3.246 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.349 0.243 -4.034 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.267 -0.679 -3.547 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.267 0.836 -4.776 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.439 0.294 -4.500 1.00 0.00 N ATOM 0 H HIS A 444 -1.893 0.606 -1.774 1.00 0.00 H new ATOM 0 HA HIS A 444 -3.968 -0.955 -0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.202 -1.793 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -3.702 -2.531 -2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.040 -1.298 -3.117 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.089 1.629 -5.487 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.328 0.556 -4.926 1.00 0.00 H new ATOM 746 N VAL A 445 -2.468 -2.305 1.028 1.00 0.00 N ATOM 747 CA VAL A 445 -1.613 -3.101 1.899 1.00 0.00 C ATOM 748 C VAL A 445 -1.927 -4.587 1.766 1.00 0.00 C ATOM 749 O VAL A 445 -2.830 -5.101 2.426 1.00 0.00 O ATOM 750 CB VAL A 445 -1.765 -2.682 3.374 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.745 -3.402 4.243 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.630 -1.175 3.520 1.00 0.00 C ATOM 0 H VAL A 445 -3.432 -2.218 1.349 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.585 -2.921 1.585 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.761 -2.968 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.868 -3.093 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -0.896 -4.479 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.261 -3.151 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.740 -0.900 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.649 -0.861 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.404 -0.682 2.932 1.00 0.00 H new ATOM 762 N GLU A 446 -1.176 -5.270 0.910 1.00 0.00 N ATOM 763 CA GLU A 446 -1.373 -6.698 0.689 1.00 0.00 C ATOM 764 C GLU A 446 -0.269 -7.510 1.360 1.00 0.00 C ATOM 765 O GLU A 446 0.900 -7.129 1.328 1.00 0.00 O ATOM 766 CB GLU A 446 -1.409 -7.005 -0.809 1.00 0.00 C ATOM 767 CG GLU A 446 -2.771 -6.769 -1.444 1.00 0.00 C ATOM 768 CD GLU A 446 -2.746 -5.668 -2.488 1.00 0.00 C ATOM 769 OE1 GLU A 446 -2.494 -4.502 -2.115 1.00 0.00 O ATOM 770 OE2 GLU A 446 -2.978 -5.970 -3.677 1.00 0.00 O ATOM 0 H GLU A 446 -0.424 -4.858 0.357 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.328 -6.980 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.668 -6.387 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.119 -8.044 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.118 -7.694 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.490 -6.511 -0.667 1.00 0.00 H new ATOM 777 N ARG A 447 -0.651 -8.630 1.965 1.00 0.00 N ATOM 778 CA ARG A 447 0.308 -9.496 2.645 1.00 0.00 C ATOM 779 C ARG A 447 0.450 -10.828 1.914 1.00 0.00 C ATOM 780 O ARG A 447 -0.512 -11.584 1.789 1.00 0.00 O ATOM 781 CB ARG A 447 -0.128 -9.739 4.090 1.00 0.00 C ATOM 782 CG ARG A 447 -0.225 -8.465 4.918 1.00 0.00 C ATOM 783 CD ARG A 447 -1.618 -8.272 5.499 1.00 0.00 C ATOM 784 NE ARG A 447 -1.601 -8.243 6.960 1.00 0.00 N ATOM 785 CZ ARG A 447 -2.696 -8.156 7.712 1.00 0.00 C ATOM 786 NH1 ARG A 447 -3.896 -8.093 7.146 1.00 0.00 N ATOM 787 NH2 ARG A 447 -2.593 -8.135 9.033 1.00 0.00 N ATOM 0 H ARG A 447 -1.616 -8.960 1.999 1.00 0.00 H new ATOM 0 HA ARG A 447 1.276 -8.996 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.097 -10.237 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.579 -10.419 4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.504 -8.501 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 447 0.031 -7.607 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -2.042 -7.341 5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -2.268 -9.079 5.160 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.698 -8.292 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -3.982 -8.111 6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -4.731 -8.026 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.675 -8.185 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -3.432 -8.068 9.609 1.00 0.00 H new ATOM 801 N ALA A 448 1.657 -11.106 1.432 1.00 0.00 N ATOM 802 CA ALA A 448 1.925 -12.346 0.714 1.00 0.00 C ATOM 803 C ALA A 448 1.873 -13.546 1.652 1.00 0.00 C ATOM 804 O ALA A 448 2.672 -13.656 2.583 1.00 0.00 O ATOM 805 CB ALA A 448 3.279 -12.271 0.025 1.00 0.00 C ATOM 0 H ALA A 448 2.464 -10.490 1.526 1.00 0.00 H new ATOM 0 HA ALA A 448 1.150 -12.476 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.468 -13.203 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.282 -11.441 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.059 -12.115 0.771 1.00 0.00 H new ATOM 811 N ALA A 449 0.925 -14.446 1.400 1.00 0.00 N ATOM 812 CA ALA A 449 0.766 -15.639 2.221 1.00 0.00 C ATOM 813 C ALA A 449 1.665 -16.768 1.727 1.00 0.00 C ATOM 814 O ALA A 449 2.337 -17.430 2.517 1.00 0.00 O ATOM 815 CB ALA A 449 -0.687 -16.084 2.227 1.00 0.00 C ATOM 0 H ALA A 449 0.257 -14.370 0.633 1.00 0.00 H new ATOM 0 HA ALA A 449 1.063 -15.392 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.792 -16.976 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -1.310 -15.287 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -1.003 -16.308 1.208 1.00 0.00 H new ATOM 821 N THR A 450 1.671 -16.982 0.415 1.00 0.00 N ATOM 822 CA THR A 450 2.487 -18.031 -0.186 1.00 0.00 C ATOM 823 C THR A 450 3.960 -17.845 0.160 1.00 0.00 C ATOM 824 O THR A 450 4.684 -18.815 0.381 1.00 0.00 O ATOM 825 CB THR A 450 2.329 -18.056 -1.718 1.00 0.00 C ATOM 826 OG1 THR A 450 1.122 -17.384 -2.099 1.00 0.00 O ATOM 827 CG2 THR A 450 2.302 -19.485 -2.236 1.00 0.00 C ATOM 0 H THR A 450 1.120 -16.443 -0.252 1.00 0.00 H new ATOM 0 HA THR A 450 2.137 -18.979 0.223 1.00 0.00 H new ATOM 0 HB THR A 450 3.185 -17.542 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 450 1.031 -17.403 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 450 2.190 -19.477 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 450 3.233 -19.986 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.463 -20.018 -1.788 1.00 0.00 H new ATOM 835 N ASP A 451 4.396 -16.591 0.210 1.00 0.00 N ATOM 836 CA ASP A 451 5.781 -16.273 0.534 1.00 0.00 C ATOM 837 C ASP A 451 6.024 -16.383 2.038 1.00 0.00 C ATOM 838 O ASP A 451 5.086 -16.304 2.831 1.00 0.00 O ATOM 839 CB ASP A 451 6.127 -14.862 0.046 1.00 0.00 C ATOM 840 CG ASP A 451 7.198 -14.866 -1.027 1.00 0.00 C ATOM 841 OD1 ASP A 451 7.354 -15.902 -1.706 1.00 0.00 O ATOM 842 OD2 ASP A 451 7.879 -13.832 -1.188 1.00 0.00 O ATOM 0 H ASP A 451 3.808 -15.777 0.030 1.00 0.00 H new ATOM 0 HA ASP A 451 6.426 -16.992 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.228 -14.385 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.465 -14.262 0.890 1.00 0.00 H new ATOM 847 N PRO A 452 7.290 -16.568 2.452 1.00 0.00 N ATOM 848 CA PRO A 452 7.648 -16.688 3.870 1.00 0.00 C ATOM 849 C PRO A 452 7.431 -15.385 4.631 1.00 0.00 C ATOM 850 O PRO A 452 8.381 -14.758 5.099 1.00 0.00 O ATOM 851 CB PRO A 452 9.136 -17.047 3.835 1.00 0.00 C ATOM 852 CG PRO A 452 9.619 -16.516 2.531 1.00 0.00 C ATOM 853 CD PRO A 452 8.471 -16.674 1.575 1.00 0.00 C ATOM 0 HA PRO A 452 7.033 -17.426 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.672 -16.596 4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.286 -18.124 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 452 9.913 -15.470 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.495 -17.065 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.475 -15.899 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.505 -17.633 1.059 1.00 0.00 H new ATOM 861 N LYS A 453 6.169 -14.983 4.749 1.00 0.00 N ATOM 862 CA LYS A 453 5.816 -13.752 5.452 1.00 0.00 C ATOM 863 C LYS A 453 6.324 -12.530 4.693 1.00 0.00 C ATOM 864 O LYS A 453 7.412 -12.025 4.968 1.00 0.00 O ATOM 865 CB LYS A 453 6.388 -13.764 6.872 1.00 0.00 C ATOM 866 CG LYS A 453 5.443 -13.186 7.914 1.00 0.00 C ATOM 867 CD LYS A 453 6.081 -13.162 9.293 1.00 0.00 C ATOM 868 CE LYS A 453 5.551 -12.010 10.130 1.00 0.00 C ATOM 869 NZ LYS A 453 6.097 -10.699 9.678 1.00 0.00 N ATOM 0 H LYS A 453 5.372 -15.492 4.367 1.00 0.00 H new ATOM 0 HA LYS A 453 4.729 -13.695 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.635 -14.790 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.319 -13.198 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.158 -12.174 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.528 -13.778 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 453 5.884 -14.105 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.163 -13.074 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 453 4.463 -11.990 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 453 5.812 -12.171 11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 5.940 -9.984 10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 7.117 -10.791 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.616 -10.405 8.804 1.00 0.00 H new ATOM 883 N ALA A 454 5.529 -12.062 3.736 1.00 0.00 N ATOM 884 CA ALA A 454 5.898 -10.899 2.937 1.00 0.00 C ATOM 885 C ALA A 454 4.804 -9.838 2.973 1.00 0.00 C ATOM 886 O ALA A 454 3.618 -10.158 3.061 1.00 0.00 O ATOM 887 CB ALA A 454 6.185 -11.317 1.503 1.00 0.00 C ATOM 0 H ALA A 454 4.626 -12.470 3.495 1.00 0.00 H new ATOM 0 HA ALA A 454 6.801 -10.465 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.459 -10.440 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.006 -12.034 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.295 -11.777 1.073 1.00 0.00 H new ATOM 893 N VAL A 455 5.210 -8.574 2.903 1.00 0.00 N ATOM 894 CA VAL A 455 4.263 -7.466 2.929 1.00 0.00 C ATOM 895 C VAL A 455 4.510 -6.506 1.769 1.00 0.00 C ATOM 896 O VAL A 455 5.444 -5.706 1.801 1.00 0.00 O ATOM 897 CB VAL A 455 4.349 -6.683 4.253 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.223 -5.664 4.343 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.313 -7.635 5.438 1.00 0.00 C ATOM 0 H VAL A 455 6.187 -8.292 2.828 1.00 0.00 H new ATOM 0 HA VAL A 455 3.267 -7.899 2.836 1.00 0.00 H new ATOM 0 HB VAL A 455 5.297 -6.146 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.299 -5.120 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.299 -4.963 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.263 -6.178 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.375 -7.065 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.382 -8.201 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.157 -8.323 5.378 1.00 0.00 H new ATOM 909 N VAL A 456 3.665 -6.591 0.747 1.00 0.00 N ATOM 910 CA VAL A 456 3.789 -5.731 -0.423 1.00 0.00 C ATOM 911 C VAL A 456 2.811 -4.563 -0.351 1.00 0.00 C ATOM 912 O VAL A 456 1.596 -4.752 -0.423 1.00 0.00 O ATOM 913 CB VAL A 456 3.547 -6.516 -1.728 1.00 0.00 C ATOM 914 CG1 VAL A 456 2.139 -7.093 -1.758 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.793 -5.629 -2.940 1.00 0.00 C ATOM 0 H VAL A 456 2.886 -7.248 0.706 1.00 0.00 H new ATOM 0 HA VAL A 456 4.809 -5.346 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 456 4.253 -7.346 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.991 -7.643 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 456 2.004 -7.767 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.412 -6.283 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.617 -6.201 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 456 3.115 -4.776 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.823 -5.274 -2.928 1.00 0.00 H new ATOM 925 N THR A 457 3.347 -3.355 -0.207 1.00 0.00 N ATOM 926 CA THR A 457 2.522 -2.156 -0.125 1.00 0.00 C ATOM 927 C THR A 457 2.602 -1.343 -1.411 1.00 0.00 C ATOM 928 O THR A 457 3.635 -1.320 -2.080 1.00 0.00 O ATOM 929 CB THR A 457 2.943 -1.265 1.058 1.00 0.00 C ATOM 930 OG1 THR A 457 3.434 -2.076 2.134 1.00 0.00 O ATOM 931 CG2 THR A 457 1.772 -0.424 1.547 1.00 0.00 C ATOM 0 H THR A 457 4.350 -3.181 -0.145 1.00 0.00 H new ATOM 0 HA THR A 457 1.495 -2.490 0.027 1.00 0.00 H new ATOM 0 HB THR A 457 3.733 -0.597 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.701 -1.501 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 457 2.094 0.197 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.418 0.213 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.964 -1.079 1.872 1.00 0.00 H new ATOM 939 N THR A 458 1.505 -0.674 -1.753 1.00 0.00 N ATOM 940 CA THR A 458 1.450 0.142 -2.959 1.00 0.00 C ATOM 941 C THR A 458 0.908 1.535 -2.657 1.00 0.00 C ATOM 942 O THR A 458 -0.143 1.680 -2.032 1.00 0.00 O ATOM 943 CB THR A 458 0.573 -0.514 -4.042 1.00 0.00 C ATOM 944 OG1 THR A 458 0.641 -1.940 -3.932 1.00 0.00 O ATOM 945 CG2 THR A 458 1.018 -0.085 -5.432 1.00 0.00 C ATOM 0 H THR A 458 0.641 -0.682 -1.210 1.00 0.00 H new ATOM 0 HA THR A 458 2.471 0.225 -3.330 1.00 0.00 H new ATOM 0 HB THR A 458 -0.456 -0.188 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 458 0.079 -2.349 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 458 0.384 -0.561 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.935 0.998 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.054 -0.384 -5.591 1.00 0.00 H new ATOM 953 N TYR A 459 1.632 2.556 -3.104 1.00 0.00 N ATOM 954 CA TYR A 459 1.224 3.938 -2.882 1.00 0.00 C ATOM 955 C TYR A 459 0.788 4.593 -4.188 1.00 0.00 C ATOM 956 O TYR A 459 1.527 4.587 -5.173 1.00 0.00 O ATOM 957 CB TYR A 459 2.370 4.737 -2.256 1.00 0.00 C ATOM 958 CG TYR A 459 2.470 4.578 -0.756 1.00 0.00 C ATOM 959 CD1 TYR A 459 3.187 3.528 -0.196 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.849 5.479 0.100 1.00 0.00 C ATOM 961 CE1 TYR A 459 3.282 3.381 1.174 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.940 5.339 1.472 1.00 0.00 C ATOM 963 CZ TYR A 459 2.657 4.286 2.003 1.00 0.00 C ATOM 964 OH TYR A 459 2.751 4.144 3.369 1.00 0.00 O ATOM 0 H TYR A 459 2.504 2.452 -3.622 1.00 0.00 H new ATOM 0 HA TYR A 459 0.376 3.934 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 459 3.310 4.424 -2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 459 2.238 5.793 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 459 3.678 2.815 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.286 6.303 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.844 2.560 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.453 6.049 2.124 1.00 0.00 H new ATOM 0 HH TYR A 459 2.254 4.866 3.808 1.00 0.00 H new ATOM 974 N GLU A 460 -0.416 5.155 -4.191 1.00 0.00 N ATOM 975 CA GLU A 460 -0.951 5.813 -5.377 1.00 0.00 C ATOM 976 C GLU A 460 -1.353 7.251 -5.068 1.00 0.00 C ATOM 977 O GLU A 460 -2.288 7.494 -4.304 1.00 0.00 O ATOM 978 CB GLU A 460 -2.154 5.040 -5.917 1.00 0.00 C ATOM 979 CG GLU A 460 -1.778 3.924 -6.880 1.00 0.00 C ATOM 980 CD GLU A 460 -0.846 2.905 -6.257 1.00 0.00 C ATOM 981 OE1 GLU A 460 -1.307 2.126 -5.396 1.00 0.00 O ATOM 982 OE2 GLU A 460 0.348 2.887 -6.628 1.00 0.00 O ATOM 0 H GLU A 460 -1.040 5.168 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.168 5.829 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -2.708 4.615 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.824 5.735 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.684 3.422 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.302 4.355 -7.761 1.00 0.00 H new ATOM 989 N GLY A 461 -0.641 8.202 -5.664 1.00 0.00 N ATOM 990 CA GLY A 461 -0.938 9.604 -5.439 1.00 0.00 C ATOM 991 C GLY A 461 0.103 10.287 -4.573 1.00 0.00 C ATOM 992 O GLY A 461 1.022 9.641 -4.070 1.00 0.00 O ATOM 0 H GLY A 461 0.137 8.026 -6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.001 10.117 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -1.915 9.693 -4.965 1.00 0.00 H new ATOM 996 N LYS A 462 -0.041 11.597 -4.399 1.00 0.00 N ATOM 997 CA LYS A 462 0.893 12.370 -3.589 1.00 0.00 C ATOM 998 C LYS A 462 0.165 13.093 -2.461 1.00 0.00 C ATOM 999 O LYS A 462 -1.059 13.220 -2.478 1.00 0.00 O ATOM 1000 CB LYS A 462 1.640 13.380 -4.460 1.00 0.00 C ATOM 1001 CG LYS A 462 2.450 12.739 -5.576 1.00 0.00 C ATOM 1002 CD LYS A 462 3.228 13.777 -6.368 1.00 0.00 C ATOM 1003 CE LYS A 462 3.993 13.142 -7.518 1.00 0.00 C ATOM 1004 NZ LYS A 462 4.869 14.127 -8.213 1.00 0.00 N ATOM 0 H LYS A 462 -0.797 12.146 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 462 1.612 11.679 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.921 14.073 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.307 13.968 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.141 12.010 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 462 1.783 12.195 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 462 2.541 14.529 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.925 14.293 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.600 12.319 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 462 3.288 12.716 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 5.373 13.655 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 4.287 14.899 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 5.559 14.515 -7.538 1.00 0.00 H new ATOM 1018 N HIS A 463 0.927 13.564 -1.478 1.00 0.00 N ATOM 1019 CA HIS A 463 0.354 14.274 -0.341 1.00 0.00 C ATOM 1020 C HIS A 463 0.349 15.780 -0.584 1.00 0.00 C ATOM 1021 O HIS A 463 1.396 16.388 -0.804 1.00 0.00 O ATOM 1022 CB HIS A 463 1.140 13.957 0.933 1.00 0.00 C ATOM 1023 CG HIS A 463 1.023 12.530 1.370 1.00 0.00 C ATOM 1024 ND1 HIS A 463 -0.032 12.056 2.121 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.836 11.467 1.158 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.136 10.767 2.354 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.263 10.385 1.780 1.00 0.00 N ATOM 0 H HIS A 463 1.942 13.466 -1.447 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.676 13.940 -0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.191 14.193 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.789 14.604 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.762 11.470 0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.533 10.134 2.917 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.646 9.440 1.796 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.839 16.375 -0.543 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.982 17.810 -0.758 1.00 0.00 C ATOM 1037 C ASN A 464 -0.649 18.589 0.511 1.00 0.00 C ATOM 1038 O ASN A 464 -0.226 19.743 0.450 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.406 18.139 -1.210 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.778 17.444 -2.505 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.099 16.515 -2.940 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -3.861 17.893 -3.127 1.00 0.00 N ATOM 0 H ASN A 464 -1.716 15.886 -0.363 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.281 18.105 -1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -3.108 17.847 -0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -2.503 19.217 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -4.160 17.465 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -4.394 18.666 -2.729 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.839 17.949 1.661 1.00 0.00 N ATOM 1050 CA HIS A 465 -0.559 18.582 2.945 1.00 0.00 C ATOM 1051 C HIS A 465 0.879 18.321 3.379 1.00 0.00 C ATOM 1052 O HIS A 465 1.547 17.433 2.851 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.530 18.072 4.013 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.377 16.613 4.318 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.898 16.141 5.521 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.650 15.517 3.569 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.881 14.819 5.499 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.335 14.417 4.325 1.00 0.00 N ATOM 0 H HIS A 465 -1.186 16.992 1.730 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.693 19.657 2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.381 18.643 4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.551 18.260 3.682 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -2.043 15.511 2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.552 14.177 6.303 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.435 13.446 4.029 1.00 0.00 H new