USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 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 442 HIS : no HE2:sc= -0.321 K(o=0.18,f=-3.3) USER MOD Set 1.2: A 473 SER OG : rot 94:sc= 0.505 USER MOD Set 2.1: A 439 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.59) USER MOD Set 2.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 444 THR OG1 : rot 55:sc= -0.353 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot -59:sc= 0.0908 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.55) USER MOD Single : A 483 GLN : amide:sc= -2.75! C(o=-2.7!,f=-5!) USER MOD Single : A 485 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.42) USER MOD Single : A 489 ASN : amide:sc= -0.596 K(o=-0.6,f=-1.7!) USER MOD Single : A 490 THR OG1 : rot -19:sc= 0.252 USER MOD Single : A 491 SER OG : rot -37:sc= 0.37 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 500 GLN : amide:sc= -0.923 K(o=-0.92,f=-5.2!) USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.00829 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 207 N HIS A 439 -5.434 8.703 6.440 1.00 0.00 N ATOM 208 CA HIS A 439 -4.565 7.878 5.609 1.00 0.00 C ATOM 209 C HIS A 439 -4.203 6.579 6.324 1.00 0.00 C ATOM 210 O HIS A 439 -4.112 5.520 5.702 1.00 0.00 O ATOM 211 CB HIS A 439 -3.293 8.645 5.246 1.00 0.00 C ATOM 212 CG HIS A 439 -2.805 9.547 6.338 1.00 0.00 C ATOM 213 ND1 HIS A 439 -3.237 10.847 6.489 1.00 0.00 N ATOM 214 CD2 HIS A 439 -1.918 9.328 7.336 1.00 0.00 C ATOM 215 CE1 HIS A 439 -2.635 11.390 7.532 1.00 0.00 C ATOM 216 NE2 HIS A 439 -1.830 10.489 8.065 1.00 0.00 N ATOM 0 HA HIS A 439 -5.105 7.631 4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -2.507 7.932 4.997 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -3.480 9.239 4.351 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -1.379 8.411 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -2.777 12.400 7.888 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -1.239 10.632 8.884 1.00 0.00 H new ATOM 225 N VAL A 440 -3.996 6.668 7.634 1.00 0.00 N ATOM 226 CA VAL A 440 -3.644 5.500 8.433 1.00 0.00 C ATOM 227 C VAL A 440 -4.813 4.527 8.528 1.00 0.00 C ATOM 228 O VAL A 440 -5.960 4.933 8.720 1.00 0.00 O ATOM 229 CB VAL A 440 -3.210 5.904 9.855 1.00 0.00 C ATOM 230 CG1 VAL A 440 -2.876 4.671 10.681 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.025 6.856 9.800 1.00 0.00 C ATOM 0 H VAL A 440 -4.066 7.536 8.164 1.00 0.00 H new ATOM 0 HA VAL A 440 -2.809 5.012 7.930 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.040 6.421 10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.571 4.975 11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.754 4.029 10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.062 4.124 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -1.732 7.131 10.813 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.189 6.367 9.300 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.304 7.753 9.247 1.00 0.00 H new ATOM 241 N LEU A 441 -4.516 3.239 8.392 1.00 0.00 N ATOM 242 CA LEU A 441 -5.543 2.205 8.463 1.00 0.00 C ATOM 243 C LEU A 441 -5.143 1.107 9.444 1.00 0.00 C ATOM 244 O LEU A 441 -3.997 0.657 9.455 1.00 0.00 O ATOM 245 CB LEU A 441 -5.784 1.603 7.077 1.00 0.00 C ATOM 246 CG LEU A 441 -5.976 2.602 5.936 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.809 1.914 4.590 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.342 3.266 6.031 1.00 0.00 C ATOM 0 H LEU A 441 -3.573 2.886 8.232 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.465 2.666 8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.940 0.959 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.667 0.966 7.128 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.212 3.374 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.949 2.641 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.808 1.487 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.550 1.120 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.460 3.974 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.121 2.506 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.424 3.794 6.981 1.00 0.00 H new ATOM 260 N HIS A 442 -6.097 0.679 10.265 1.00 0.00 N ATOM 261 CA HIS A 442 -5.846 -0.368 11.248 1.00 0.00 C ATOM 262 C HIS A 442 -6.190 -1.741 10.680 1.00 0.00 C ATOM 263 O HIS A 442 -7.362 -2.076 10.503 1.00 0.00 O ATOM 264 CB HIS A 442 -6.658 -0.111 12.518 1.00 0.00 C ATOM 265 CG HIS A 442 -6.357 -1.072 13.627 1.00 0.00 C ATOM 266 ND1 HIS A 442 -7.168 -2.144 13.934 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.326 -1.119 14.502 1.00 0.00 C ATOM 268 CE1 HIS A 442 -6.649 -2.808 14.952 1.00 0.00 C ATOM 269 NE2 HIS A 442 -5.531 -2.206 15.315 1.00 0.00 N ATOM 0 H HIS A 442 -7.050 1.041 10.269 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.784 -0.352 11.495 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.463 0.904 12.865 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.720 -0.167 12.278 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -8.033 -2.387 13.451 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -4.496 -0.430 14.552 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -7.068 -3.692 15.409 1.00 0.00 H new ATOM 278 N VAL A 443 -5.162 -2.533 10.393 1.00 0.00 N ATOM 279 CA VAL A 443 -5.355 -3.870 9.844 1.00 0.00 C ATOM 280 C VAL A 443 -4.984 -4.941 10.864 1.00 0.00 C ATOM 281 O VAL A 443 -3.865 -4.967 11.375 1.00 0.00 O ATOM 282 CB VAL A 443 -4.519 -4.079 8.568 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.782 -5.456 7.977 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.817 -2.988 7.551 1.00 0.00 C ATOM 0 H VAL A 443 -4.186 -2.272 10.532 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.412 -3.961 9.595 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.463 -4.019 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.183 -5.586 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.513 -6.222 8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.839 -5.549 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.217 -3.152 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.875 -3.014 7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.573 -2.016 7.979 1.00 0.00 H new ATOM 294 N THR A 444 -5.932 -5.827 11.155 1.00 0.00 N ATOM 295 CA THR A 444 -5.706 -6.901 12.113 1.00 0.00 C ATOM 296 C THR A 444 -5.351 -8.204 11.405 1.00 0.00 C ATOM 297 O THR A 444 -6.214 -8.858 10.818 1.00 0.00 O ATOM 298 CB THR A 444 -6.944 -7.133 13.000 1.00 0.00 C ATOM 299 OG1 THR A 444 -8.132 -7.096 12.202 1.00 0.00 O ATOM 300 CG2 THR A 444 -7.029 -6.080 14.095 1.00 0.00 C ATOM 0 H THR A 444 -6.864 -5.821 10.740 1.00 0.00 H new ATOM 0 HA THR A 444 -4.871 -6.593 12.742 1.00 0.00 H new ATOM 0 HB THR A 444 -6.851 -8.114 13.467 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.053 -7.741 11.468 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.911 -6.264 14.709 1.00 0.00 H new ATOM 0 HG22 THR A 444 -6.136 -6.130 14.718 1.00 0.00 H new ATOM 0 HG23 THR A 444 -7.101 -5.091 13.643 1.00 0.00 H new ATOM 308 N PHE A 445 -4.077 -8.577 11.465 1.00 0.00 N ATOM 309 CA PHE A 445 -3.608 -9.802 10.829 1.00 0.00 C ATOM 310 C PHE A 445 -2.901 -10.703 11.838 1.00 0.00 C ATOM 311 O PHE A 445 -2.352 -10.244 12.840 1.00 0.00 O ATOM 312 CB PHE A 445 -2.662 -9.472 9.673 1.00 0.00 C ATOM 313 CG PHE A 445 -1.454 -8.686 10.092 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.516 -9.237 10.951 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.254 -7.396 9.628 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.597 -8.516 11.340 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.143 -6.669 10.013 1.00 0.00 C ATOM 318 CZ PHE A 445 0.784 -7.231 10.869 1.00 0.00 C ATOM 0 H PHE A 445 -3.351 -8.048 11.948 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.476 -10.334 10.439 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.336 -10.401 9.204 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.208 -8.908 8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.657 -10.242 11.321 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.975 -6.953 8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.319 -8.957 12.011 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.000 -5.664 9.645 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.654 -6.666 11.170 1.00 0.00 H new ATOM 328 N PRO A 446 -2.915 -12.017 11.570 1.00 0.00 N ATOM 329 CA PRO A 446 -2.281 -13.010 12.441 1.00 0.00 C ATOM 330 C PRO A 446 -0.759 -12.920 12.410 1.00 0.00 C ATOM 331 O PRO A 446 -0.162 -12.670 11.363 1.00 0.00 O ATOM 332 CB PRO A 446 -2.750 -14.345 11.858 1.00 0.00 C ATOM 333 CG PRO A 446 -3.047 -14.050 10.428 1.00 0.00 C ATOM 334 CD PRO A 446 -3.551 -12.634 10.394 1.00 0.00 C ATOM 0 HA PRO A 446 -2.553 -12.868 13.487 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.980 -15.111 11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.634 -14.715 12.378 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.154 -14.161 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.794 -14.740 10.034 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.266 -12.128 9.471 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.638 -12.593 10.457 1.00 0.00 H new ATOM 342 N LYS A 447 -0.135 -13.126 13.565 1.00 0.00 N ATOM 343 CA LYS A 447 1.318 -13.070 13.671 1.00 0.00 C ATOM 344 C LYS A 447 1.977 -13.738 12.468 1.00 0.00 C ATOM 345 O LYS A 447 2.912 -13.194 11.881 1.00 0.00 O ATOM 346 CB LYS A 447 1.783 -13.748 14.962 1.00 0.00 C ATOM 347 CG LYS A 447 1.525 -15.245 14.989 1.00 0.00 C ATOM 348 CD LYS A 447 2.019 -15.872 16.282 1.00 0.00 C ATOM 349 CE LYS A 447 3.527 -16.074 16.263 1.00 0.00 C ATOM 350 NZ LYS A 447 3.952 -17.164 17.185 1.00 0.00 N ATOM 0 H LYS A 447 -0.614 -13.333 14.442 1.00 0.00 H new ATOM 0 HA LYS A 447 1.616 -12.022 13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.850 -13.569 15.093 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.276 -13.285 15.809 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.457 -15.433 14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.023 -15.716 14.141 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.747 -15.235 17.124 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.524 -16.831 16.435 1.00 0.00 H new ATOM 0 HE2 LYS A 447 3.849 -16.310 15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 447 4.022 -15.145 16.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 4.986 -17.271 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.667 -16.927 18.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.500 -18.056 16.899 1.00 0.00 H new ATOM 364 N GLU A 448 1.483 -14.918 12.107 1.00 0.00 N ATOM 365 CA GLU A 448 2.024 -15.658 10.973 1.00 0.00 C ATOM 366 C GLU A 448 2.435 -14.709 9.851 1.00 0.00 C ATOM 367 O GLU A 448 3.470 -14.899 9.212 1.00 0.00 O ATOM 368 CB GLU A 448 0.996 -16.665 10.454 1.00 0.00 C ATOM 369 CG GLU A 448 -0.148 -16.024 9.685 1.00 0.00 C ATOM 370 CD GLU A 448 -1.375 -16.913 9.619 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.614 -17.667 10.585 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.097 -16.853 8.602 1.00 0.00 O ATOM 0 H GLU A 448 0.709 -15.382 12.583 1.00 0.00 H new ATOM 0 HA GLU A 448 2.909 -16.197 11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.499 -17.385 9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.589 -17.223 11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.414 -15.078 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.184 -15.793 8.673 1.00 0.00 H new ATOM 379 N TRP A 449 1.617 -13.690 9.616 1.00 0.00 N ATOM 380 CA TRP A 449 1.894 -12.712 8.571 1.00 0.00 C ATOM 381 C TRP A 449 3.300 -12.140 8.719 1.00 0.00 C ATOM 382 O TRP A 449 4.043 -12.520 9.624 1.00 0.00 O ATOM 383 CB TRP A 449 0.864 -11.583 8.614 1.00 0.00 C ATOM 384 CG TRP A 449 -0.435 -11.938 7.955 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.059 -13.152 7.975 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.266 -11.070 7.176 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.228 -13.092 7.256 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.379 -11.825 6.756 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.179 -9.729 6.794 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.394 -11.282 5.974 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.188 -9.191 6.017 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.284 -9.966 5.614 1.00 0.00 C ATOM 0 H TRP A 449 0.756 -13.519 10.135 1.00 0.00 H new ATOM 0 HA TRP A 449 1.827 -13.218 7.608 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.674 -11.313 9.653 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.281 -10.702 8.127 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.688 -14.031 8.482 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.878 -13.865 7.117 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.339 -9.124 7.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.239 -11.878 5.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -2.131 -8.156 5.715 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -4.056 -9.516 5.008 1.00 0.00 H new ATOM 403 N LYS A 450 3.659 -11.225 7.826 1.00 0.00 N ATOM 404 CA LYS A 450 4.975 -10.598 7.858 1.00 0.00 C ATOM 405 C LYS A 450 4.977 -9.294 7.066 1.00 0.00 C ATOM 406 O LYS A 450 3.983 -8.939 6.432 1.00 0.00 O ATOM 407 CB LYS A 450 6.030 -11.552 7.292 1.00 0.00 C ATOM 408 CG LYS A 450 6.541 -12.563 8.304 1.00 0.00 C ATOM 409 CD LYS A 450 7.780 -13.282 7.797 1.00 0.00 C ATOM 410 CE LYS A 450 8.992 -12.362 7.784 1.00 0.00 C ATOM 411 NZ LYS A 450 10.250 -13.107 7.503 1.00 0.00 N ATOM 0 H LYS A 450 3.056 -10.900 7.070 1.00 0.00 H new ATOM 0 HA LYS A 450 5.217 -10.372 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.607 -12.085 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 450 6.871 -10.969 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.771 -12.056 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.759 -13.291 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 450 7.985 -14.146 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 450 7.597 -13.659 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 450 8.852 -11.588 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.076 -11.858 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 11.053 -12.446 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 10.397 -13.829 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 10.180 -13.567 6.573 1.00 0.00 H new ATOM 425 N THR A 451 6.100 -8.585 7.106 1.00 0.00 N ATOM 426 CA THR A 451 6.231 -7.321 6.393 1.00 0.00 C ATOM 427 C THR A 451 5.922 -7.491 4.910 1.00 0.00 C ATOM 428 O THR A 451 5.063 -6.801 4.361 1.00 0.00 O ATOM 429 CB THR A 451 7.647 -6.733 6.546 1.00 0.00 C ATOM 430 OG1 THR A 451 7.983 -6.619 7.933 1.00 0.00 O ATOM 431 CG2 THR A 451 7.741 -5.367 5.882 1.00 0.00 C ATOM 0 H THR A 451 6.932 -8.865 7.625 1.00 0.00 H new ATOM 0 HA THR A 451 5.510 -6.633 6.835 1.00 0.00 H new ATOM 0 HB THR A 451 8.351 -7.406 6.056 1.00 0.00 H new ATOM 0 HG1 THR A 451 7.329 -6.044 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.750 -4.972 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.514 -5.462 4.820 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.027 -4.687 6.346 1.00 0.00 H new ATOM 439 N SER A 452 6.627 -8.416 4.266 1.00 0.00 N ATOM 440 CA SER A 452 6.429 -8.676 2.844 1.00 0.00 C ATOM 441 C SER A 452 4.945 -8.819 2.519 1.00 0.00 C ATOM 442 O SER A 452 4.474 -8.332 1.491 1.00 0.00 O ATOM 443 CB SER A 452 7.179 -9.942 2.427 1.00 0.00 C ATOM 444 OG SER A 452 6.716 -11.070 3.149 1.00 0.00 O ATOM 0 H SER A 452 7.340 -8.998 4.706 1.00 0.00 H new ATOM 0 HA SER A 452 6.825 -7.827 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.047 -10.111 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 452 8.247 -9.809 2.599 1.00 0.00 H new ATOM 0 HG SER A 452 7.210 -11.867 2.863 1.00 0.00 H new ATOM 450 N ASP A 453 4.215 -9.489 3.403 1.00 0.00 N ATOM 451 CA ASP A 453 2.784 -9.696 3.213 1.00 0.00 C ATOM 452 C ASP A 453 2.039 -8.364 3.197 1.00 0.00 C ATOM 453 O ASP A 453 1.206 -8.117 2.325 1.00 0.00 O ATOM 454 CB ASP A 453 2.225 -10.593 4.317 1.00 0.00 C ATOM 455 CG ASP A 453 2.445 -12.066 4.034 1.00 0.00 C ATOM 456 OD1 ASP A 453 1.908 -12.563 3.022 1.00 0.00 O ATOM 457 OD2 ASP A 453 3.156 -12.722 4.823 1.00 0.00 O ATOM 0 H ASP A 453 4.590 -9.898 4.259 1.00 0.00 H new ATOM 0 HA ASP A 453 2.638 -10.185 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.696 -10.334 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 453 1.158 -10.403 4.430 1.00 0.00 H new ATOM 462 N LEU A 454 2.345 -7.510 4.167 1.00 0.00 N ATOM 463 CA LEU A 454 1.705 -6.203 4.266 1.00 0.00 C ATOM 464 C LEU A 454 2.019 -5.348 3.042 1.00 0.00 C ATOM 465 O LEU A 454 1.115 -4.868 2.358 1.00 0.00 O ATOM 466 CB LEU A 454 2.162 -5.484 5.536 1.00 0.00 C ATOM 467 CG LEU A 454 1.394 -5.824 6.814 1.00 0.00 C ATOM 468 CD1 LEU A 454 -0.104 -5.694 6.587 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.744 -7.227 7.288 1.00 0.00 C ATOM 0 H LEU A 454 3.032 -7.699 4.896 1.00 0.00 H new ATOM 0 HA LEU A 454 0.627 -6.357 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.216 -5.710 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.089 -4.410 5.367 1.00 0.00 H new ATOM 0 HG LEU A 454 1.685 -5.116 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.634 -5.940 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -0.340 -4.671 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.413 -6.378 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.189 -7.453 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.481 -7.949 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 454 2.813 -7.286 7.491 1.00 0.00 H new ATOM 481 N TYR A 455 3.307 -5.164 2.771 1.00 0.00 N ATOM 482 CA TYR A 455 3.741 -4.367 1.630 1.00 0.00 C ATOM 483 C TYR A 455 3.125 -4.889 0.335 1.00 0.00 C ATOM 484 O TYR A 455 2.374 -4.181 -0.335 1.00 0.00 O ATOM 485 CB TYR A 455 5.267 -4.381 1.523 1.00 0.00 C ATOM 486 CG TYR A 455 5.938 -3.265 2.291 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.595 -1.937 2.066 1.00 0.00 C ATOM 488 CD2 TYR A 455 6.915 -3.537 3.240 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.206 -0.914 2.765 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.530 -2.520 3.944 1.00 0.00 C ATOM 491 CZ TYR A 455 7.172 -1.210 3.703 1.00 0.00 C ATOM 492 OH TYR A 455 7.783 -0.194 4.402 1.00 0.00 O ATOM 0 H TYR A 455 4.068 -5.556 3.326 1.00 0.00 H new ATOM 0 HA TYR A 455 3.403 -3.342 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.640 -5.338 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.550 -4.309 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.838 -1.701 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.199 -4.561 3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.928 0.113 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.287 -2.749 4.679 1.00 0.00 H new ATOM 0 HH TYR A 455 8.438 -0.573 5.024 1.00 0.00 H new ATOM 502 N GLN A 456 3.448 -6.131 -0.008 1.00 0.00 N ATOM 503 CA GLN A 456 2.926 -6.748 -1.222 1.00 0.00 C ATOM 504 C GLN A 456 1.421 -6.531 -1.339 1.00 0.00 C ATOM 505 O GLN A 456 0.917 -6.164 -2.402 1.00 0.00 O ATOM 506 CB GLN A 456 3.239 -8.245 -1.233 1.00 0.00 C ATOM 507 CG GLN A 456 2.157 -9.099 -0.593 1.00 0.00 C ATOM 508 CD GLN A 456 2.396 -10.584 -0.781 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.539 -11.040 -0.818 1.00 0.00 O ATOM 510 NE2 GLN A 456 1.316 -11.347 -0.903 1.00 0.00 N ATOM 0 H GLN A 456 4.068 -6.730 0.537 1.00 0.00 H new ATOM 0 HA GLN A 456 3.410 -6.276 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 456 3.384 -8.570 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 456 4.180 -8.414 -0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 456 2.106 -8.875 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 456 1.190 -8.834 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 456 0.388 -10.926 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 456 1.415 -12.354 -1.033 1.00 0.00 H new ATOM 519 N LEU A 457 0.708 -6.760 -0.242 1.00 0.00 N ATOM 520 CA LEU A 457 -0.741 -6.590 -0.222 1.00 0.00 C ATOM 521 C LEU A 457 -1.127 -5.165 -0.607 1.00 0.00 C ATOM 522 O LEU A 457 -1.826 -4.946 -1.597 1.00 0.00 O ATOM 523 CB LEU A 457 -1.294 -6.923 1.164 1.00 0.00 C ATOM 524 CG LEU A 457 -2.813 -7.072 1.263 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.237 -8.483 0.887 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.293 -6.724 2.665 1.00 0.00 C ATOM 0 H LEU A 457 1.109 -7.064 0.645 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.173 -7.274 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.835 -7.852 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.980 -6.142 1.856 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.273 -6.377 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.321 -8.570 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.927 -8.696 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.767 -9.197 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.376 -6.836 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.824 -7.393 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.023 -5.694 2.897 1.00 0.00 H new ATOM 538 N PHE A 458 -0.666 -4.199 0.181 1.00 0.00 N ATOM 539 CA PHE A 458 -0.962 -2.795 -0.078 1.00 0.00 C ATOM 540 C PHE A 458 -0.207 -2.298 -1.308 1.00 0.00 C ATOM 541 O PHE A 458 -0.454 -1.196 -1.798 1.00 0.00 O ATOM 542 CB PHE A 458 -0.596 -1.942 1.138 1.00 0.00 C ATOM 543 CG PHE A 458 -1.669 -1.903 2.188 1.00 0.00 C ATOM 544 CD1 PHE A 458 -1.733 -2.879 3.169 1.00 0.00 C ATOM 545 CD2 PHE A 458 -2.615 -0.890 2.193 1.00 0.00 C ATOM 546 CE1 PHE A 458 -2.720 -2.846 4.136 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.604 -0.851 3.158 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.656 -1.830 4.131 1.00 0.00 C ATOM 0 H PHE A 458 -0.086 -4.363 1.004 1.00 0.00 H new ATOM 0 HA PHE A 458 -2.031 -2.704 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.321 -2.330 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.385 -0.925 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -1.003 -3.675 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -2.579 -0.122 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.759 -3.614 4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.335 -0.056 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.427 -1.801 4.887 1.00 0.00 H new ATOM 558 N SER A 459 0.715 -3.118 -1.800 1.00 0.00 N ATOM 559 CA SER A 459 1.510 -2.761 -2.970 1.00 0.00 C ATOM 560 C SER A 459 0.636 -2.129 -4.048 1.00 0.00 C ATOM 561 O SER A 459 1.054 -1.195 -4.733 1.00 0.00 O ATOM 562 CB SER A 459 2.216 -3.998 -3.530 1.00 0.00 C ATOM 563 OG SER A 459 3.212 -3.634 -4.470 1.00 0.00 O ATOM 0 H SER A 459 0.931 -4.034 -1.407 1.00 0.00 H new ATOM 0 HA SER A 459 2.259 -2.032 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.669 -4.562 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.486 -4.654 -4.004 1.00 0.00 H new ATOM 0 HG SER A 459 3.650 -4.441 -4.812 1.00 0.00 H new ATOM 569 N ALA A 460 -0.580 -2.644 -4.193 1.00 0.00 N ATOM 570 CA ALA A 460 -1.515 -2.129 -5.186 1.00 0.00 C ATOM 571 C ALA A 460 -1.346 -0.625 -5.371 1.00 0.00 C ATOM 572 O ALA A 460 -1.427 -0.115 -6.489 1.00 0.00 O ATOM 573 CB ALA A 460 -2.946 -2.456 -4.783 1.00 0.00 C ATOM 0 H ALA A 460 -0.941 -3.418 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.298 -2.612 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.634 -2.066 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.065 -3.537 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.165 -2.000 -3.818 1.00 0.00 H new ATOM 579 N PHE A 461 -1.111 0.079 -4.269 1.00 0.00 N ATOM 580 CA PHE A 461 -0.932 1.526 -4.311 1.00 0.00 C ATOM 581 C PHE A 461 0.523 1.886 -4.597 1.00 0.00 C ATOM 582 O PHE A 461 0.817 2.634 -5.529 1.00 0.00 O ATOM 583 CB PHE A 461 -1.374 2.154 -2.987 1.00 0.00 C ATOM 584 CG PHE A 461 -2.710 1.664 -2.507 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.837 1.796 -3.302 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.838 1.071 -1.262 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.068 1.345 -2.863 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.067 0.618 -0.818 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.183 0.757 -1.619 1.00 0.00 C ATOM 0 H PHE A 461 -1.040 -0.328 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.551 1.921 -5.117 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.623 1.942 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.414 3.237 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.753 2.256 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.969 0.961 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.939 1.453 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.154 0.156 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.144 0.406 -1.273 1.00 0.00 H new ATOM 599 N GLY A 462 1.430 1.348 -3.787 1.00 0.00 N ATOM 600 CA GLY A 462 2.843 1.624 -3.969 1.00 0.00 C ATOM 601 C GLY A 462 3.567 1.832 -2.653 1.00 0.00 C ATOM 602 O GLY A 462 3.137 1.331 -1.615 1.00 0.00 O ATOM 0 H GLY A 462 1.211 0.726 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.305 0.797 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.960 2.513 -4.589 1.00 0.00 H new ATOM 606 N ASN A 463 4.670 2.571 -2.697 1.00 0.00 N ATOM 607 CA ASN A 463 5.457 2.842 -1.499 1.00 0.00 C ATOM 608 C ASN A 463 4.559 3.281 -0.346 1.00 0.00 C ATOM 609 O ASN A 463 3.816 4.256 -0.463 1.00 0.00 O ATOM 610 CB ASN A 463 6.504 3.920 -1.784 1.00 0.00 C ATOM 611 CG ASN A 463 7.593 3.434 -2.721 1.00 0.00 C ATOM 612 OD1 ASN A 463 8.571 2.821 -2.291 1.00 0.00 O ATOM 613 ND2 ASN A 463 7.429 3.707 -4.011 1.00 0.00 N ATOM 0 H ASN A 463 5.040 2.993 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 463 5.963 1.921 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 463 6.015 4.791 -2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.954 4.243 -0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.129 3.406 -4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 463 6.603 4.218 -4.323 1.00 0.00 H new ATOM 620 N ILE A 464 4.635 2.556 0.765 1.00 0.00 N ATOM 621 CA ILE A 464 3.830 2.873 1.938 1.00 0.00 C ATOM 622 C ILE A 464 4.639 2.704 3.220 1.00 0.00 C ATOM 623 O ILE A 464 5.775 2.232 3.191 1.00 0.00 O ATOM 624 CB ILE A 464 2.574 1.985 2.016 1.00 0.00 C ATOM 625 CG1 ILE A 464 2.964 0.538 2.324 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.790 2.062 0.715 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.821 -0.295 2.861 1.00 0.00 C ATOM 0 H ILE A 464 5.245 1.746 0.877 1.00 0.00 H new ATOM 0 HA ILE A 464 3.523 3.914 1.839 1.00 0.00 H new ATOM 0 HB ILE A 464 1.939 2.350 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.347 0.072 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.777 0.536 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.905 1.429 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.485 3.093 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.417 1.719 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.170 -1.309 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.452 0.147 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.016 -0.324 2.127 1.00 0.00 H new ATOM 639 N GLN A 465 4.043 3.091 4.344 1.00 0.00 N ATOM 640 CA GLN A 465 4.708 2.981 5.637 1.00 0.00 C ATOM 641 C GLN A 465 3.946 2.039 6.563 1.00 0.00 C ATOM 642 O GLN A 465 2.843 2.352 7.012 1.00 0.00 O ATOM 643 CB GLN A 465 4.837 4.360 6.287 1.00 0.00 C ATOM 644 CG GLN A 465 5.862 5.257 5.612 1.00 0.00 C ATOM 645 CD GLN A 465 5.630 6.727 5.899 1.00 0.00 C ATOM 646 OE1 GLN A 465 5.217 7.486 5.021 1.00 0.00 O ATOM 647 NE2 GLN A 465 5.893 7.138 7.134 1.00 0.00 N ATOM 0 H GLN A 465 3.102 3.483 4.385 1.00 0.00 H new ATOM 0 HA GLN A 465 5.704 2.571 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 465 3.866 4.854 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 465 5.110 4.235 7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 465 6.861 4.978 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 465 5.831 5.092 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 465 6.234 6.475 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 465 5.754 8.117 7.386 1.00 0.00 H new ATOM 656 N ILE A 466 4.540 0.884 6.843 1.00 0.00 N ATOM 657 CA ILE A 466 3.917 -0.103 7.716 1.00 0.00 C ATOM 658 C ILE A 466 4.464 -0.005 9.136 1.00 0.00 C ATOM 659 O ILE A 466 5.618 -0.349 9.393 1.00 0.00 O ATOM 660 CB ILE A 466 4.135 -1.535 7.192 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.694 -1.640 5.731 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.377 -2.535 8.053 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.242 -2.857 5.020 1.00 0.00 C ATOM 0 H ILE A 466 5.452 0.609 6.478 1.00 0.00 H new ATOM 0 HA ILE A 466 2.849 0.114 7.725 1.00 0.00 H new ATOM 0 HB ILE A 466 5.198 -1.769 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.605 -1.665 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.013 -0.744 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.541 -3.542 7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 466 3.735 -2.475 9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.312 -2.305 8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 466 3.888 -2.866 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.331 -2.824 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 466 3.902 -3.759 5.528 1.00 0.00 H new ATOM 675 N SER A 467 3.627 0.466 10.055 1.00 0.00 N ATOM 676 CA SER A 467 4.027 0.612 11.450 1.00 0.00 C ATOM 677 C SER A 467 3.636 -0.621 12.259 1.00 0.00 C ATOM 678 O SER A 467 2.454 -0.932 12.404 1.00 0.00 O ATOM 679 CB SER A 467 3.386 1.860 12.059 1.00 0.00 C ATOM 680 OG SER A 467 4.219 2.994 11.894 1.00 0.00 O ATOM 0 H SER A 467 2.668 0.753 9.859 1.00 0.00 H new ATOM 0 HA SER A 467 5.111 0.717 11.482 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.420 2.043 11.588 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.197 1.695 13.120 1.00 0.00 H new ATOM 0 HG SER A 467 3.786 3.779 12.290 1.00 0.00 H new ATOM 686 N TRP A 468 4.637 -1.319 12.783 1.00 0.00 N ATOM 687 CA TRP A 468 4.398 -2.518 13.578 1.00 0.00 C ATOM 688 C TRP A 468 4.046 -2.157 15.017 1.00 0.00 C ATOM 689 O TRP A 468 4.897 -1.691 15.775 1.00 0.00 O ATOM 690 CB TRP A 468 5.631 -3.424 13.554 1.00 0.00 C ATOM 691 CG TRP A 468 5.861 -4.078 12.225 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.554 -3.563 11.167 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.396 -5.368 11.813 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.548 -4.454 10.122 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.845 -5.570 10.493 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.647 -6.373 12.430 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.567 -6.735 9.782 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.371 -7.528 11.724 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.831 -7.702 10.411 1.00 0.00 C ATOM 0 H TRP A 468 5.621 -1.076 12.672 1.00 0.00 H new ATOM 0 HA TRP A 468 3.554 -3.051 13.141 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.510 -2.836 13.819 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.521 -4.195 14.316 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.036 -2.597 11.154 1.00 0.00 H new ATOM 0 HE1 TRP A 468 6.994 -4.309 9.217 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.290 -6.249 13.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 5.920 -6.870 8.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.791 -8.310 12.191 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.600 -8.617 9.886 1.00 0.00 H new ATOM 710 N ILE A 469 2.788 -2.375 15.386 1.00 0.00 N ATOM 711 CA ILE A 469 2.325 -2.072 16.734 1.00 0.00 C ATOM 712 C ILE A 469 2.539 -3.259 17.668 1.00 0.00 C ATOM 713 O ILE A 469 3.297 -3.174 18.634 1.00 0.00 O ATOM 714 CB ILE A 469 0.834 -1.688 16.745 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.549 -0.635 15.672 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.429 -1.175 18.119 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.850 -0.717 15.101 1.00 0.00 C ATOM 0 H ILE A 469 2.072 -2.760 14.770 1.00 0.00 H new ATOM 0 HA ILE A 469 2.912 -1.224 17.086 1.00 0.00 H new ATOM 0 HB ILE A 469 0.243 -2.576 16.522 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.701 0.357 16.098 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.270 -0.748 14.863 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.628 -0.908 18.111 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.601 -1.953 18.863 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.024 -0.296 18.369 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.981 0.059 14.347 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -1.000 -1.696 14.645 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.578 -0.573 15.900 1.00 0.00 H new ATOM 729 N ASP A 470 1.868 -4.366 17.371 1.00 0.00 N ATOM 730 CA ASP A 470 1.986 -5.573 18.182 1.00 0.00 C ATOM 731 C ASP A 470 2.283 -6.788 17.308 1.00 0.00 C ATOM 732 O ASP A 470 2.447 -6.666 16.094 1.00 0.00 O ATOM 733 CB ASP A 470 0.702 -5.805 18.980 1.00 0.00 C ATOM 734 CG ASP A 470 0.723 -5.108 20.326 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.404 -5.613 21.244 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.059 -4.059 20.463 1.00 0.00 O ATOM 0 H ASP A 470 1.237 -4.453 16.575 1.00 0.00 H new ATOM 0 HA ASP A 470 2.815 -5.435 18.876 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.151 -5.448 18.403 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.560 -6.875 19.130 1.00 0.00 H new ATOM 741 N ASP A 471 2.352 -7.957 17.934 1.00 0.00 N ATOM 742 CA ASP A 471 2.629 -9.195 17.214 1.00 0.00 C ATOM 743 C ASP A 471 1.445 -9.591 16.338 1.00 0.00 C ATOM 744 O ASP A 471 1.523 -10.545 15.564 1.00 0.00 O ATOM 745 CB ASP A 471 2.951 -10.321 18.198 1.00 0.00 C ATOM 746 CG ASP A 471 3.904 -11.345 17.613 1.00 0.00 C ATOM 747 OD1 ASP A 471 3.547 -11.977 16.597 1.00 0.00 O ATOM 748 OD2 ASP A 471 5.008 -11.514 18.172 1.00 0.00 O ATOM 0 H ASP A 471 2.220 -8.074 18.939 1.00 0.00 H new ATOM 0 HA ASP A 471 3.493 -9.027 16.571 1.00 0.00 H new ATOM 0 HB2 ASP A 471 3.388 -9.896 19.102 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.026 -10.817 18.494 1.00 0.00 H new ATOM 753 N THR A 472 0.347 -8.852 16.466 1.00 0.00 N ATOM 754 CA THR A 472 -0.854 -9.127 15.688 1.00 0.00 C ATOM 755 C THR A 472 -1.404 -7.853 15.057 1.00 0.00 C ATOM 756 O THR A 472 -1.823 -7.854 13.899 1.00 0.00 O ATOM 757 CB THR A 472 -1.951 -9.770 16.558 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.323 -8.879 17.615 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.473 -11.089 17.144 1.00 0.00 C ATOM 0 H THR A 472 0.265 -8.058 17.101 1.00 0.00 H new ATOM 0 HA THR A 472 -0.568 -9.825 14.901 1.00 0.00 H new ATOM 0 HB THR A 472 -2.818 -9.965 15.926 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.022 -9.294 18.162 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.264 -11.524 17.754 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.219 -11.775 16.336 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.592 -10.915 17.762 1.00 0.00 H new ATOM 767 N SER A 473 -1.398 -6.768 15.824 1.00 0.00 N ATOM 768 CA SER A 473 -1.899 -5.487 15.339 1.00 0.00 C ATOM 769 C SER A 473 -0.808 -4.723 14.595 1.00 0.00 C ATOM 770 O SER A 473 0.357 -4.742 14.989 1.00 0.00 O ATOM 771 CB SER A 473 -2.421 -4.645 16.505 1.00 0.00 C ATOM 772 OG SER A 473 -3.048 -3.462 16.040 1.00 0.00 O ATOM 0 H SER A 473 -1.052 -6.750 16.783 1.00 0.00 H new ATOM 0 HA SER A 473 -2.717 -5.684 14.647 1.00 0.00 H new ATOM 0 HB2 SER A 473 -3.130 -5.230 17.091 1.00 0.00 H new ATOM 0 HB3 SER A 473 -1.596 -4.386 17.169 1.00 0.00 H new ATOM 0 HG SER A 473 -4.011 -3.617 15.949 1.00 0.00 H new ATOM 778 N ALA A 474 -1.196 -4.051 13.515 1.00 0.00 N ATOM 779 CA ALA A 474 -0.253 -3.279 12.716 1.00 0.00 C ATOM 780 C ALA A 474 -0.886 -1.984 12.219 1.00 0.00 C ATOM 781 O ALA A 474 -2.036 -1.681 12.538 1.00 0.00 O ATOM 782 CB ALA A 474 0.248 -4.109 11.543 1.00 0.00 C ATOM 0 H ALA A 474 -2.157 -4.026 13.174 1.00 0.00 H new ATOM 0 HA ALA A 474 0.594 -3.018 13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.952 -3.520 10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.747 -5.003 11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.595 -4.399 10.916 1.00 0.00 H new ATOM 788 N PHE A 475 -0.128 -1.223 11.436 1.00 0.00 N ATOM 789 CA PHE A 475 -0.615 0.041 10.896 1.00 0.00 C ATOM 790 C PHE A 475 -0.211 0.199 9.433 1.00 0.00 C ATOM 791 O PHE A 475 0.877 -0.212 9.030 1.00 0.00 O ATOM 792 CB PHE A 475 -0.073 1.213 11.716 1.00 0.00 C ATOM 793 CG PHE A 475 -0.975 1.624 12.844 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.339 1.763 12.643 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.459 1.870 14.106 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.172 2.140 13.679 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.288 2.247 15.147 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.645 2.384 14.932 1.00 0.00 C ATOM 0 H PHE A 475 0.825 -1.460 11.161 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.703 0.038 10.956 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.902 0.942 12.121 1.00 0.00 H new ATOM 0 HB3 PHE A 475 0.082 2.067 11.056 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.756 1.574 11.665 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.602 1.766 14.279 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.234 2.244 13.509 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.874 2.434 16.127 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.294 2.682 15.743 1.00 0.00 H new ATOM 808 N VAL A 476 -1.096 0.797 8.642 1.00 0.00 N ATOM 809 CA VAL A 476 -0.833 1.010 7.224 1.00 0.00 C ATOM 810 C VAL A 476 -1.150 2.445 6.815 1.00 0.00 C ATOM 811 O VAL A 476 -2.314 2.836 6.739 1.00 0.00 O ATOM 812 CB VAL A 476 -1.655 0.046 6.349 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.427 0.336 4.873 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.306 -1.399 6.676 1.00 0.00 C ATOM 0 H VAL A 476 -2.002 1.143 8.959 1.00 0.00 H new ATOM 0 HA VAL A 476 0.228 0.816 7.067 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.712 0.200 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.016 -0.356 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.731 1.359 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.370 0.212 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.896 -2.067 6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.246 -1.568 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.526 -1.598 7.725 1.00 0.00 H new ATOM 824 N SER A 477 -0.106 3.224 6.554 1.00 0.00 N ATOM 825 CA SER A 477 -0.272 4.617 6.157 1.00 0.00 C ATOM 826 C SER A 477 -0.209 4.760 4.639 1.00 0.00 C ATOM 827 O SER A 477 0.692 4.227 3.990 1.00 0.00 O ATOM 828 CB SER A 477 0.805 5.488 6.807 1.00 0.00 C ATOM 829 OG SER A 477 0.473 6.862 6.717 1.00 0.00 O ATOM 0 H SER A 477 0.864 2.914 6.610 1.00 0.00 H new ATOM 0 HA SER A 477 -1.252 4.951 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.922 5.207 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.764 5.310 6.320 1.00 0.00 H new ATOM 0 HG SER A 477 1.176 7.397 7.141 1.00 0.00 H new ATOM 835 N LEU A 478 -1.173 5.484 4.079 1.00 0.00 N ATOM 836 CA LEU A 478 -1.228 5.698 2.637 1.00 0.00 C ATOM 837 C LEU A 478 -0.871 7.139 2.287 1.00 0.00 C ATOM 838 O LEU A 478 -0.626 7.961 3.170 1.00 0.00 O ATOM 839 CB LEU A 478 -2.623 5.363 2.106 1.00 0.00 C ATOM 840 CG LEU A 478 -3.015 3.886 2.133 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.495 3.720 1.826 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.171 3.092 1.147 1.00 0.00 C ATOM 0 H LEU A 478 -1.926 5.932 4.601 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.498 5.038 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.355 5.923 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.693 5.718 1.078 1.00 0.00 H new ATOM 0 HG LEU A 478 -2.828 3.499 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.755 2.662 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.083 4.255 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.709 4.124 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.464 2.043 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.326 3.481 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.118 3.183 1.413 1.00 0.00 H new ATOM 854 N SER A 479 -0.845 7.439 0.992 1.00 0.00 N ATOM 855 CA SER A 479 -0.516 8.780 0.524 1.00 0.00 C ATOM 856 C SER A 479 -1.773 9.636 0.401 1.00 0.00 C ATOM 857 O SER A 479 -1.805 10.779 0.858 1.00 0.00 O ATOM 858 CB SER A 479 0.202 8.711 -0.825 1.00 0.00 C ATOM 859 OG SER A 479 1.466 8.083 -0.699 1.00 0.00 O ATOM 0 H SER A 479 -1.048 6.771 0.248 1.00 0.00 H new ATOM 0 HA SER A 479 0.146 9.241 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.411 8.161 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 479 0.331 9.717 -1.224 1.00 0.00 H new ATOM 0 HG SER A 479 1.904 8.050 -1.575 1.00 0.00 H new ATOM 865 N GLN A 480 -2.805 9.075 -0.219 1.00 0.00 N ATOM 866 CA GLN A 480 -4.064 9.786 -0.404 1.00 0.00 C ATOM 867 C GLN A 480 -5.209 9.056 0.292 1.00 0.00 C ATOM 868 O GLN A 480 -5.180 7.839 0.476 1.00 0.00 O ATOM 869 CB GLN A 480 -4.374 9.941 -1.894 1.00 0.00 C ATOM 870 CG GLN A 480 -3.633 11.095 -2.552 1.00 0.00 C ATOM 871 CD GLN A 480 -4.377 12.410 -2.430 1.00 0.00 C ATOM 872 OE1 GLN A 480 -5.538 12.519 -2.826 1.00 0.00 O ATOM 873 NE2 GLN A 480 -3.711 13.419 -1.882 1.00 0.00 N ATOM 0 H GLN A 480 -2.794 8.130 -0.602 1.00 0.00 H new ATOM 0 HA GLN A 480 -3.962 10.775 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.118 9.015 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.446 10.089 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -2.648 11.196 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -3.476 10.867 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -2.750 13.285 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -4.160 14.329 -1.775 1.00 0.00 H new ATOM 882 N PRO A 481 -6.241 9.815 0.688 1.00 0.00 N ATOM 883 CA PRO A 481 -7.415 9.262 1.370 1.00 0.00 C ATOM 884 C PRO A 481 -8.273 8.406 0.444 1.00 0.00 C ATOM 885 O PRO A 481 -8.856 7.409 0.869 1.00 0.00 O ATOM 886 CB PRO A 481 -8.187 10.506 1.815 1.00 0.00 C ATOM 887 CG PRO A 481 -7.772 11.571 0.859 1.00 0.00 C ATOM 888 CD PRO A 481 -6.342 11.272 0.501 1.00 0.00 C ATOM 0 HA PRO A 481 -7.135 8.601 2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.263 10.338 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -7.942 10.778 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.405 11.567 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -7.863 12.559 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.116 11.562 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.646 11.809 1.145 1.00 0.00 H new ATOM 896 N GLU A 482 -8.344 8.802 -0.823 1.00 0.00 N ATOM 897 CA GLU A 482 -9.131 8.070 -1.809 1.00 0.00 C ATOM 898 C GLU A 482 -8.896 6.567 -1.685 1.00 0.00 C ATOM 899 O GLU A 482 -9.837 5.795 -1.499 1.00 0.00 O ATOM 900 CB GLU A 482 -8.782 8.537 -3.223 1.00 0.00 C ATOM 901 CG GLU A 482 -9.010 10.022 -3.447 1.00 0.00 C ATOM 902 CD GLU A 482 -10.481 10.383 -3.515 1.00 0.00 C ATOM 903 OE1 GLU A 482 -11.111 10.109 -4.558 1.00 0.00 O ATOM 904 OE2 GLU A 482 -11.003 10.939 -2.526 1.00 0.00 O ATOM 0 H GLU A 482 -7.867 9.625 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.185 8.273 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.737 8.304 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.379 7.974 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -8.539 10.584 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -8.522 10.325 -4.374 1.00 0.00 H new ATOM 911 N GLN A 483 -7.635 6.160 -1.791 1.00 0.00 N ATOM 912 CA GLN A 483 -7.277 4.750 -1.693 1.00 0.00 C ATOM 913 C GLN A 483 -8.068 4.064 -0.584 1.00 0.00 C ATOM 914 O GLN A 483 -8.637 2.991 -0.787 1.00 0.00 O ATOM 915 CB GLN A 483 -5.777 4.601 -1.433 1.00 0.00 C ATOM 916 CG GLN A 483 -4.915 4.919 -2.644 1.00 0.00 C ATOM 917 CD GLN A 483 -3.481 5.242 -2.272 1.00 0.00 C ATOM 918 OE1 GLN A 483 -2.902 4.614 -1.386 1.00 0.00 O ATOM 919 NE2 GLN A 483 -2.901 6.227 -2.948 1.00 0.00 N ATOM 0 H GLN A 483 -6.845 6.786 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.524 4.271 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.492 5.259 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.572 3.580 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -4.927 4.069 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.346 5.764 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -3.419 6.721 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -1.938 6.490 -2.740 1.00 0.00 H new ATOM 928 N VAL A 484 -8.100 4.689 0.588 1.00 0.00 N ATOM 929 CA VAL A 484 -8.822 4.139 1.729 1.00 0.00 C ATOM 930 C VAL A 484 -10.085 3.413 1.281 1.00 0.00 C ATOM 931 O VAL A 484 -10.292 2.246 1.612 1.00 0.00 O ATOM 932 CB VAL A 484 -9.205 5.240 2.735 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.012 4.656 3.885 1.00 0.00 C ATOM 934 CG2 VAL A 484 -7.960 5.946 3.251 1.00 0.00 C ATOM 0 H VAL A 484 -7.634 5.577 0.773 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.152 3.430 2.216 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.826 5.975 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.273 5.449 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.923 4.201 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.419 3.899 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.249 6.721 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.311 5.224 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.426 6.400 2.416 1.00 0.00 H new ATOM 944 N GLN A 485 -10.927 4.112 0.527 1.00 0.00 N ATOM 945 CA GLN A 485 -12.172 3.534 0.034 1.00 0.00 C ATOM 946 C GLN A 485 -11.930 2.150 -0.561 1.00 0.00 C ATOM 947 O GLN A 485 -12.583 1.178 -0.180 1.00 0.00 O ATOM 948 CB GLN A 485 -12.804 4.450 -1.015 1.00 0.00 C ATOM 949 CG GLN A 485 -14.300 4.237 -1.186 1.00 0.00 C ATOM 950 CD GLN A 485 -15.082 4.550 0.075 1.00 0.00 C ATOM 951 OE1 GLN A 485 -15.538 5.677 0.272 1.00 0.00 O ATOM 952 NE2 GLN A 485 -15.241 3.553 0.936 1.00 0.00 N ATOM 0 H GLN A 485 -10.770 5.079 0.244 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.856 3.433 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.623 5.488 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.310 4.287 -1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.662 4.866 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.485 3.203 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -14.846 2.635 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -15.758 3.705 1.802 1.00 0.00 H new ATOM 961 N ILE A 486 -10.990 2.070 -1.496 1.00 0.00 N ATOM 962 CA ILE A 486 -10.663 0.805 -2.143 1.00 0.00 C ATOM 963 C ILE A 486 -10.233 -0.240 -1.120 1.00 0.00 C ATOM 964 O ILE A 486 -10.819 -1.320 -1.037 1.00 0.00 O ATOM 965 CB ILE A 486 -9.542 0.979 -3.185 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.039 1.816 -4.366 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.047 -0.378 -3.661 1.00 0.00 C ATOM 968 CD1 ILE A 486 -9.952 3.307 -4.128 1.00 0.00 C ATOM 0 H ILE A 486 -10.441 2.865 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.567 0.465 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.709 1.504 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.456 1.563 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.074 1.550 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.255 -0.239 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.659 -0.942 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -9.872 -0.927 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.321 3.838 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.558 3.573 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -8.914 3.586 -3.944 1.00 0.00 H new ATOM 980 N ALA A 487 -9.207 0.088 -0.342 1.00 0.00 N ATOM 981 CA ALA A 487 -8.701 -0.821 0.679 1.00 0.00 C ATOM 982 C ALA A 487 -9.835 -1.363 1.542 1.00 0.00 C ATOM 983 O ALA A 487 -9.891 -2.558 1.834 1.00 0.00 O ATOM 984 CB ALA A 487 -7.666 -0.119 1.545 1.00 0.00 C ATOM 0 H ALA A 487 -8.710 0.977 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.227 -1.664 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.297 -0.810 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.836 0.214 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.123 0.743 2.031 1.00 0.00 H new ATOM 990 N VAL A 488 -10.739 -0.477 1.950 1.00 0.00 N ATOM 991 CA VAL A 488 -11.872 -0.867 2.780 1.00 0.00 C ATOM 992 C VAL A 488 -12.838 -1.758 2.007 1.00 0.00 C ATOM 993 O VAL A 488 -13.277 -2.793 2.505 1.00 0.00 O ATOM 994 CB VAL A 488 -12.634 0.365 3.304 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.768 -0.061 4.224 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.684 1.314 4.019 1.00 0.00 C ATOM 0 H VAL A 488 -10.708 0.516 1.719 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.468 -1.422 3.627 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.066 0.893 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.295 0.822 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.461 -0.699 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.361 -0.612 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.239 2.179 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.221 0.799 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.910 1.645 3.326 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.165 -1.347 0.786 1.00 0.00 N ATOM 1007 CA ASN A 489 -14.080 -2.108 -0.057 1.00 0.00 C ATOM 1008 C ASN A 489 -13.647 -3.568 -0.150 1.00 0.00 C ATOM 1009 O ASN A 489 -14.438 -4.480 0.094 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.148 -1.494 -1.456 1.00 0.00 C ATOM 1011 CG ASN A 489 -14.776 -2.431 -2.469 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -15.556 -3.315 -2.114 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.437 -2.243 -3.740 1.00 0.00 N ATOM 0 H ASN A 489 -12.810 -0.492 0.358 1.00 0.00 H new ATOM 0 HA ASN A 489 -15.070 -2.070 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.723 -0.569 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.142 -1.231 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -14.827 -2.844 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.787 -1.498 -3.990 1.00 0.00 H new ATOM 1020 N THR A 490 -12.384 -3.783 -0.506 1.00 0.00 N ATOM 1021 CA THR A 490 -11.845 -5.131 -0.633 1.00 0.00 C ATOM 1022 C THR A 490 -11.824 -5.844 0.715 1.00 0.00 C ATOM 1023 O THR A 490 -12.127 -7.033 0.804 1.00 0.00 O ATOM 1024 CB THR A 490 -10.419 -5.113 -1.214 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.559 -4.329 -0.378 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.416 -4.547 -2.626 1.00 0.00 C ATOM 0 H THR A 490 -11.716 -3.040 -0.711 1.00 0.00 H new ATOM 0 HA THR A 490 -12.501 -5.671 -1.316 1.00 0.00 H new ATOM 0 HB THR A 490 -10.053 -6.139 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 490 -10.101 -3.740 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.398 -4.545 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 490 -11.047 -5.163 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.801 -3.527 -2.610 1.00 0.00 H new ATOM 1034 N SER A 491 -11.464 -5.109 1.762 1.00 0.00 N ATOM 1035 CA SER A 491 -11.401 -5.672 3.106 1.00 0.00 C ATOM 1036 C SER A 491 -12.773 -6.169 3.552 1.00 0.00 C ATOM 1037 O SER A 491 -12.893 -7.228 4.168 1.00 0.00 O ATOM 1038 CB SER A 491 -10.877 -4.629 4.095 1.00 0.00 C ATOM 1039 OG SER A 491 -11.865 -3.652 4.377 1.00 0.00 O ATOM 0 H SER A 491 -11.211 -4.122 1.706 1.00 0.00 H new ATOM 0 HA SER A 491 -10.716 -6.520 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.573 -5.120 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.991 -4.146 3.684 1.00 0.00 H new ATOM 0 HG SER A 491 -12.377 -3.460 3.564 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.806 -5.395 3.237 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.171 -5.755 3.603 1.00 0.00 C ATOM 1047 C LYS A 492 -15.380 -7.263 3.510 1.00 0.00 C ATOM 1048 O LYS A 492 -15.617 -7.929 4.518 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.171 -5.034 2.696 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.335 -3.559 3.022 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.369 -3.341 4.113 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.511 -1.867 4.461 1.00 0.00 C ATOM 1053 NZ LYS A 492 -18.603 -1.631 5.445 1.00 0.00 N ATOM 0 H LYS A 492 -13.724 -4.514 2.729 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.337 -5.446 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.847 -5.135 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.141 -5.525 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.377 -3.147 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.633 -3.018 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -18.332 -3.733 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -17.083 -3.900 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -16.570 -1.498 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -17.711 -1.297 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -18.667 -0.615 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -19.506 -1.960 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -18.400 -2.154 6.321 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.289 -7.794 2.296 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.469 -9.224 2.072 1.00 0.00 C ATOM 1069 C TYR A 493 -14.295 -10.016 2.639 1.00 0.00 C ATOM 1070 O TYR A 493 -14.480 -11.052 3.276 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.620 -9.512 0.578 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.306 -9.545 -0.168 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.545 -10.707 -0.224 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.823 -8.415 -0.817 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -12.343 -10.741 -0.904 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.623 -8.441 -1.500 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.887 -9.606 -1.541 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.690 -9.636 -2.220 1.00 0.00 O ATOM 0 H TYR A 493 -15.092 -7.256 1.452 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.377 -9.536 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -16.125 -10.470 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.262 -8.752 0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.899 -11.598 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.396 -7.500 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.763 -11.652 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -12.263 -7.554 -1.999 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.515 -8.755 -2.613 1.00 0.00 H new ATOM 1088 N ALA A 494 -13.085 -9.520 2.401 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.880 -10.178 2.889 1.00 0.00 C ATOM 1090 C ALA A 494 -12.067 -10.679 4.317 1.00 0.00 C ATOM 1091 O ALA A 494 -12.174 -9.887 5.252 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.692 -9.230 2.811 1.00 0.00 C ATOM 0 H ALA A 494 -12.914 -8.664 1.873 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.684 -11.041 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.799 -9.735 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.537 -8.926 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.889 -8.349 3.422 1.00 0.00 H new ATOM 1098 N GLU A 495 -12.107 -11.998 4.476 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.283 -12.603 5.791 1.00 0.00 C ATOM 1100 C GLU A 495 -10.934 -12.855 6.459 1.00 0.00 C ATOM 1101 O GLU A 495 -10.776 -12.642 7.661 1.00 0.00 O ATOM 1102 CB GLU A 495 -13.059 -13.916 5.673 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.369 -14.955 4.806 1.00 0.00 C ATOM 1104 CD GLU A 495 -13.288 -16.099 4.423 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.250 -15.858 3.664 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -13.045 -17.235 4.881 1.00 0.00 O ATOM 0 H GLU A 495 -12.020 -12.668 3.711 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.851 -11.908 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -13.210 -14.330 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -14.046 -13.709 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.994 -14.477 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.505 -15.351 5.339 1.00 0.00 H new ATOM 1113 N SER A 496 -9.966 -13.310 5.671 1.00 0.00 N ATOM 1114 CA SER A 496 -8.632 -13.596 6.186 1.00 0.00 C ATOM 1115 C SER A 496 -8.088 -12.408 6.975 1.00 0.00 C ATOM 1116 O SER A 496 -7.622 -12.559 8.104 1.00 0.00 O ATOM 1117 CB SER A 496 -7.681 -13.938 5.038 1.00 0.00 C ATOM 1118 OG SER A 496 -6.475 -14.501 5.524 1.00 0.00 O ATOM 0 H SER A 496 -10.080 -13.489 4.673 1.00 0.00 H new ATOM 0 HA SER A 496 -8.704 -14.453 6.856 1.00 0.00 H new ATOM 0 HB2 SER A 496 -8.165 -14.639 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 496 -7.460 -13.038 4.464 1.00 0.00 H new ATOM 0 HG SER A 496 -5.885 -14.712 4.770 1.00 0.00 H new ATOM 1124 N TYR A 497 -8.152 -11.226 6.371 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.664 -10.012 7.014 1.00 0.00 C ATOM 1126 C TYR A 497 -8.774 -8.971 7.126 1.00 0.00 C ATOM 1127 O TYR A 497 -9.722 -8.972 6.340 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.484 -9.434 6.231 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.864 -8.906 4.866 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.649 -7.767 4.734 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.439 -9.547 3.709 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -7.999 -7.282 3.488 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -6.783 -9.068 2.460 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.563 -7.935 2.355 1.00 0.00 C ATOM 1135 OH TYR A 497 -7.909 -7.455 1.112 1.00 0.00 O ATOM 0 H TYR A 497 -8.537 -11.083 5.437 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.332 -10.272 8.019 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.034 -8.628 6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.723 -10.206 6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.991 -7.252 5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -5.829 -10.435 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.611 -6.396 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.443 -9.578 1.571 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.520 -8.029 0.420 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.648 -8.084 8.107 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.640 -7.038 8.323 1.00 0.00 C ATOM 1147 C ARG A 498 -8.985 -5.660 8.322 1.00 0.00 C ATOM 1148 O ARG A 498 -7.974 -5.442 8.990 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.372 -7.265 9.647 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.676 -6.491 9.763 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.682 -7.223 10.637 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.393 -7.059 12.059 1.00 0.00 N ATOM 1153 CZ ARG A 498 -12.743 -5.987 12.762 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -13.393 -4.990 12.177 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -12.445 -5.912 14.052 1.00 0.00 N ATOM 0 H ARG A 498 -7.869 -8.069 8.765 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.360 -7.080 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.580 -8.329 9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.716 -6.979 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.479 -5.504 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.099 -6.337 8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -13.684 -6.851 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.676 -8.284 10.386 1.00 0.00 H new ATOM 0 HE ARG A 498 -11.895 -7.809 12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -13.625 -5.045 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -13.661 -4.168 12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -11.947 -6.678 14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -12.714 -5.089 14.591 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.568 -4.734 7.568 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.041 -3.377 7.481 1.00 0.00 C ATOM 1171 C ILE A 499 -10.051 -2.361 8.003 1.00 0.00 C ATOM 1172 O ILE A 499 -11.246 -2.463 7.729 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.663 -3.012 6.034 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.577 -3.956 5.513 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.197 -1.566 5.957 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.252 -3.754 4.050 1.00 0.00 C ATOM 0 H ILE A 499 -10.405 -4.898 7.009 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.145 -3.346 8.101 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.546 -3.123 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.670 -3.814 6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.898 -4.986 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.933 -1.323 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.998 -0.907 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.325 -1.430 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.475 -4.457 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -8.147 -3.925 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.900 -2.734 3.893 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.561 -1.381 8.755 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.421 -0.345 9.315 1.00 0.00 C ATOM 1190 C GLN A 500 -9.698 0.997 9.359 1.00 0.00 C ATOM 1191 O GLN A 500 -8.500 1.080 9.083 1.00 0.00 O ATOM 1192 CB GLN A 500 -10.880 -0.737 10.720 1.00 0.00 C ATOM 1193 CG GLN A 500 -11.760 -1.976 10.749 1.00 0.00 C ATOM 1194 CD GLN A 500 -11.909 -2.554 12.142 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -12.983 -2.492 12.741 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.829 -3.121 12.667 1.00 0.00 N ATOM 0 H GLN A 500 -8.573 -1.283 8.991 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.294 -0.246 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -10.004 -0.909 11.345 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.426 0.097 11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -12.746 -1.726 10.356 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -11.337 -2.733 10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.959 -3.150 12.135 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.870 -3.527 13.602 1.00 0.00 H new ATOM 1205 N THR A 501 -10.433 2.049 9.709 1.00 0.00 N ATOM 1206 CA THR A 501 -9.863 3.387 9.788 1.00 0.00 C ATOM 1207 C THR A 501 -9.362 3.689 11.196 1.00 0.00 C ATOM 1208 O THR A 501 -9.972 3.279 12.183 1.00 0.00 O ATOM 1209 CB THR A 501 -10.889 4.461 9.379 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.128 4.239 10.063 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.123 4.441 7.876 1.00 0.00 C ATOM 0 H THR A 501 -11.425 1.999 9.942 1.00 0.00 H new ATOM 0 HA THR A 501 -9.024 3.414 9.093 1.00 0.00 H new ATOM 0 HB THR A 501 -10.491 5.437 9.656 1.00 0.00 H new ATOM 0 HG1 THR A 501 -12.775 4.926 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 501 -11.851 5.208 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.184 4.638 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 501 -11.502 3.463 7.580 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.249 4.410 11.281 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.666 4.765 12.569 1.00 0.00 C ATOM 1221 C TYR A 502 -8.746 5.201 13.555 1.00 0.00 C ATOM 1222 O TYR A 502 -8.763 4.767 14.706 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.637 5.884 12.396 1.00 0.00 C ATOM 1224 CG TYR A 502 -5.869 6.202 13.659 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.748 5.463 14.018 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.265 7.240 14.494 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.044 5.750 15.171 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.566 7.534 15.648 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.456 6.786 15.983 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.758 7.075 17.133 1.00 0.00 O ATOM 0 H TYR A 502 -7.733 4.760 10.474 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.169 3.881 12.969 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -5.932 5.600 11.614 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.147 6.785 12.054 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.422 4.651 13.385 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.134 7.827 14.236 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.175 5.166 15.436 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -5.886 8.345 16.285 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.179 7.833 17.589 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.647 6.062 13.093 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.733 6.555 13.931 1.00 0.00 C ATOM 1242 C ALA A 503 -11.509 5.402 14.559 1.00 0.00 C ATOM 1243 O ALA A 503 -11.897 5.466 15.725 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.666 7.441 13.119 1.00 0.00 C ATOM 0 H ALA A 503 -9.646 6.433 12.143 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.297 7.147 14.736 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.472 7.802 13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.109 8.290 12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.086 6.867 12.294 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.731 4.350 13.778 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.463 3.184 14.259 1.00 0.00 C ATOM 1252 C GLU A 504 -11.686 2.472 15.363 1.00 0.00 C ATOM 1253 O GLU A 504 -12.237 2.150 16.416 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.736 2.215 13.107 1.00 0.00 C ATOM 1255 CG GLU A 504 -13.886 2.644 12.211 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.243 2.348 12.820 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.533 2.883 13.910 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.014 1.582 12.205 1.00 0.00 O ATOM 0 H GLU A 504 -11.415 4.281 12.811 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.413 3.527 14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.833 2.117 12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.954 1.229 13.517 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -13.807 3.713 12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -13.804 2.134 11.251 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.404 2.229 15.114 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.552 1.552 16.085 1.00 0.00 C ATOM 1267 C TYR A 505 -9.460 2.353 17.380 1.00 0.00 C ATOM 1268 O TYR A 505 -9.794 1.857 18.456 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.154 1.337 15.505 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.111 1.000 16.546 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -7.160 -0.200 17.245 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.076 1.882 16.831 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -6.210 -0.511 18.198 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.120 1.579 17.782 1.00 0.00 C ATOM 1275 CZ TYR A 505 -5.192 0.381 18.463 1.00 0.00 C ATOM 1276 OH TYR A 505 -4.242 0.074 19.411 1.00 0.00 O ATOM 0 H TYR A 505 -9.932 2.491 14.248 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.998 0.583 16.309 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.195 0.533 14.770 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.847 2.239 14.975 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.955 -0.902 17.039 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.017 2.821 16.300 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -6.264 -1.448 18.733 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.322 2.276 17.991 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.595 0.807 19.475 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.004 3.597 17.268 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.869 4.469 18.428 1.00 0.00 C ATOM 1288 C VAL A 506 -10.210 4.669 19.126 1.00 0.00 C ATOM 1289 O VAL A 506 -10.289 4.670 20.353 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.298 5.844 18.033 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -6.911 5.693 17.429 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.236 6.552 17.067 1.00 0.00 C ATOM 0 H VAL A 506 -8.722 4.023 16.385 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.177 3.979 19.113 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.211 6.454 18.932 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.524 6.675 17.156 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.245 5.230 18.158 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -6.968 5.066 16.540 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.817 7.522 16.798 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.357 5.947 16.168 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.207 6.695 17.541 1.00 0.00 H new