USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1016 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 636 SER OG : rot 180:sc= 1 USER MOD Set 1.2: A 637 SER OG : rot 74:sc= 1.18 USER MOD Set 2.1: A 624 MET CE :methyl -153:sc= -1.05 (180deg=-2.3!) USER MOD Set 2.2: A 644 TYR OH : rot 60:sc= -0.0142 USER MOD Set 3.1: A 594 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 597 ASN : amide:sc= -5! C(o=-3.8!,f=-12!) USER MOD Set 3.3: A 628 LYS NZ :NH3+ -177:sc= 1.18 (180deg=0) USER MOD Set 4.1: A 557 MET CE :methyl 147:sc= -1.32 (180deg=-1.35) USER MOD Set 4.2: A 561 GLN : amide:sc= -2.89 K(o=-4.2,f=-5.8) USER MOD Set 5.1: A 550 CYS SG : rot 73:sc= -0.45 USER MOD Set 5.2: A 612 THR OG1 : rot 90:sc= 1.66 USER MOD Set 5.3: A 613 HIS : +bothHN:sc= 0.794 K(o=2,f=-3.7!) USER MOD Set 6.1: A 539 HIS : no HE2:sc= -0.0947 X(o=1.1,f=0.6) USER MOD Set 6.2: A 543 THR OG1 : rot -54:sc= 1.17 USER MOD Set 7.1: A 536 MET CE :methyl 165:sc= -0.857 (180deg=-1.02) USER MOD Set 7.2: A 606 MET CE :methyl -158:sc= 0 (180deg=-0.000827) USER MOD Single : A 528 THR OG1 : rot -144:sc= 0.784 USER MOD Single : A 530 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 532 ASN : amide:sc= -0.244! C(o=-0.24!,f=-7.9!) USER MOD Single : A 545 LYS NZ :NH3+ 166:sc= -0.452 (180deg=-0.665) USER MOD Single : A 547 MET CE :methyl 159:sc= -0.209 (180deg=-1.39) USER MOD Single : A 551 MET CE :methyl 172:sc=-0.00618 (180deg=-0.114) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ -137:sc= -0.217 (180deg=-2.16) USER MOD Single : A 564 TYR OH : rot 100:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -2.56! C(o=-4.7!,f=-2.6!) USER MOD Single : A 576 TYR OH : rot -43:sc= 1.29 USER MOD Single : A 583 TYR OH : rot -130:sc= -1.49 USER MOD Single : A 584 THR OG1 : rot 71:sc= 1.39 USER MOD Single : A 585 SER OG : rot 170:sc= -0.0102 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= -0.0537 USER MOD Single : A 595 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.12) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 605 THR OG1 : rot 107:sc= 0.268 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 616 ASN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 623 CYS SG : rot -160:sc= -0.0554 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 634 SER OG : rot 180:sc= -0.2 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= -0.054 USER MOD Single : A 645 ASN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 93:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 0.020 15.935 -6.593 1.00 0.00 N ATOM 215 CA GLU A 524 0.307 14.650 -6.001 1.00 0.00 C ATOM 216 C GLU A 524 1.481 14.691 -5.044 1.00 0.00 C ATOM 217 O GLU A 524 2.371 15.538 -5.133 1.00 0.00 O ATOM 218 CB GLU A 524 0.492 13.554 -7.053 1.00 0.00 C ATOM 219 CG GLU A 524 1.881 13.414 -7.717 1.00 0.00 C ATOM 220 CD GLU A 524 2.226 14.448 -8.797 1.00 0.00 C ATOM 221 OE1 GLU A 524 1.946 15.654 -8.621 1.00 0.00 O ATOM 222 OE2 GLU A 524 2.843 14.042 -9.807 1.00 0.00 O ATOM 0 HA GLU A 524 -0.574 14.396 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.246 12.599 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.240 13.722 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 524 2.640 13.468 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 524 1.950 12.421 -8.160 1.00 0.00 H new ATOM 229 N ILE A 525 1.464 13.689 -4.170 1.00 0.00 N ATOM 230 CA ILE A 525 2.450 13.400 -3.151 1.00 0.00 C ATOM 231 C ILE A 525 3.222 12.179 -3.658 1.00 0.00 C ATOM 232 O ILE A 525 2.611 11.288 -4.274 1.00 0.00 O ATOM 233 CB ILE A 525 1.761 13.126 -1.808 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.615 14.113 -1.524 1.00 0.00 C ATOM 235 CG2 ILE A 525 2.779 13.173 -0.657 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.919 15.602 -1.662 1.00 0.00 C ATOM 0 H ILE A 525 0.701 13.012 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 525 3.126 14.238 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 525 1.330 12.127 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -0.209 13.874 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.261 13.934 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.270 12.976 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.547 12.417 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.242 14.159 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 525 0.023 16.179 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 525 1.714 15.877 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 525 1.237 15.815 -2.683 1.00 0.00 H new ATOM 248 N LEU A 526 4.525 12.124 -3.385 1.00 0.00 N ATOM 249 CA LEU A 526 5.392 10.969 -3.592 1.00 0.00 C ATOM 250 C LEU A 526 6.369 10.894 -2.416 1.00 0.00 C ATOM 251 O LEU A 526 6.267 11.653 -1.451 1.00 0.00 O ATOM 252 CB LEU A 526 6.095 11.053 -4.963 1.00 0.00 C ATOM 253 CG LEU A 526 6.049 9.795 -5.852 1.00 0.00 C ATOM 254 CD1 LEU A 526 6.889 8.634 -5.314 1.00 0.00 C ATOM 255 CD2 LEU A 526 4.618 9.308 -6.093 1.00 0.00 C ATOM 0 H LEU A 526 5.027 12.922 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 526 4.813 10.046 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.652 11.878 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.141 11.309 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 526 6.486 10.114 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 526 6.809 7.783 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 526 7.932 8.943 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 526 6.525 8.348 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 526 4.637 8.420 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 526 4.151 9.065 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.045 10.092 -6.588 1.00 0.00 H new ATOM 267 N GLY A 527 7.311 9.963 -2.477 1.00 0.00 N ATOM 268 CA GLY A 527 8.325 9.773 -1.450 1.00 0.00 C ATOM 269 C GLY A 527 7.758 9.226 -0.140 1.00 0.00 C ATOM 270 O GLY A 527 6.665 8.651 -0.120 1.00 0.00 O ATOM 0 H GLY A 527 7.393 9.308 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.087 9.089 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.819 10.725 -1.255 1.00 0.00 H new ATOM 274 N THR A 528 8.527 9.333 0.943 1.00 0.00 N ATOM 275 CA THR A 528 8.225 8.674 2.207 1.00 0.00 C ATOM 276 C THR A 528 7.557 9.662 3.172 1.00 0.00 C ATOM 277 O THR A 528 7.974 10.815 3.233 1.00 0.00 O ATOM 278 CB THR A 528 9.517 8.073 2.781 1.00 0.00 C ATOM 279 OG1 THR A 528 10.208 7.348 1.776 1.00 0.00 O ATOM 280 CG2 THR A 528 9.217 7.104 3.931 1.00 0.00 C ATOM 0 H THR A 528 9.384 9.885 0.965 1.00 0.00 H new ATOM 0 HA THR A 528 7.517 7.860 2.051 1.00 0.00 H new ATOM 0 HB THR A 528 10.123 8.902 3.147 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.631 6.559 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.151 6.696 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.698 7.635 4.728 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.588 6.291 3.567 1.00 0.00 H new ATOM 288 N VAL A 529 6.548 9.214 3.922 1.00 0.00 N ATOM 289 CA VAL A 529 5.718 10.026 4.812 1.00 0.00 C ATOM 290 C VAL A 529 5.338 9.255 6.081 1.00 0.00 C ATOM 291 O VAL A 529 5.478 8.032 6.167 1.00 0.00 O ATOM 292 CB VAL A 529 4.451 10.506 4.066 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.766 11.703 3.158 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.757 9.374 3.284 1.00 0.00 C ATOM 0 H VAL A 529 6.276 8.231 3.925 1.00 0.00 H new ATOM 0 HA VAL A 529 6.299 10.896 5.118 1.00 0.00 H new ATOM 0 HB VAL A 529 3.743 10.833 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.858 12.020 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.149 12.526 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.516 11.414 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.874 9.768 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.446 8.968 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.459 8.585 3.974 1.00 0.00 H new ATOM 304 N SER A 530 4.813 9.975 7.070 1.00 0.00 N ATOM 305 CA SER A 530 4.477 9.506 8.407 1.00 0.00 C ATOM 306 C SER A 530 2.984 9.149 8.479 1.00 0.00 C ATOM 307 O SER A 530 2.245 9.609 9.351 1.00 0.00 O ATOM 308 CB SER A 530 4.931 10.597 9.394 1.00 0.00 C ATOM 309 OG SER A 530 4.558 11.891 8.949 1.00 0.00 O ATOM 0 H SER A 530 4.598 10.965 6.948 1.00 0.00 H new ATOM 0 HA SER A 530 4.992 8.583 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.492 10.408 10.374 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.013 10.551 9.515 1.00 0.00 H new ATOM 0 HG SER A 530 4.859 12.560 9.599 1.00 0.00 H new ATOM 315 N TRP A 531 2.500 8.375 7.507 1.00 0.00 N ATOM 316 CA TRP A 531 1.120 7.954 7.367 1.00 0.00 C ATOM 317 C TRP A 531 0.953 6.574 8.023 1.00 0.00 C ATOM 318 O TRP A 531 1.753 6.160 8.865 1.00 0.00 O ATOM 319 CB TRP A 531 0.733 8.012 5.881 1.00 0.00 C ATOM 320 CG TRP A 531 0.705 9.365 5.231 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.022 10.558 5.793 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.367 9.669 3.844 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.915 11.560 4.853 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.585 11.059 3.615 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.058 8.898 2.741 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.487 11.634 2.340 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.159 9.468 1.458 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.136 10.827 1.249 1.00 0.00 C ATOM 0 H TRP A 531 3.095 8.011 6.763 1.00 0.00 H new ATOM 0 HA TRP A 531 0.429 8.619 7.885 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.431 7.385 5.326 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.255 7.564 5.772 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.314 10.701 6.823 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.062 12.550 5.051 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.309 7.857 2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.680 12.687 2.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.467 8.854 0.624 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.092 11.246 0.255 1.00 0.00 H new ATOM 339 N ASN A 532 -0.169 5.910 7.758 1.00 0.00 N ATOM 340 CA ASN A 532 -0.708 4.857 8.610 1.00 0.00 C ATOM 341 C ASN A 532 -1.586 3.962 7.745 1.00 0.00 C ATOM 342 O ASN A 532 -1.061 3.087 7.067 1.00 0.00 O ATOM 343 CB ASN A 532 -1.447 5.470 9.826 1.00 0.00 C ATOM 344 CG ASN A 532 -2.178 6.761 9.479 1.00 0.00 C ATOM 345 OD1 ASN A 532 -3.287 6.732 8.947 1.00 0.00 O ATOM 346 ND2 ASN A 532 -1.518 7.891 9.667 1.00 0.00 N ATOM 0 H ASN A 532 -0.738 6.093 6.931 1.00 0.00 H new ATOM 0 HA ASN A 532 0.085 4.242 9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.162 4.745 10.215 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -0.728 5.667 10.622 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -1.927 8.776 9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.600 7.878 10.112 1.00 0.00 H new ATOM 353 N LEU A 533 -2.902 4.187 7.722 1.00 0.00 N ATOM 354 CA LEU A 533 -3.864 3.382 6.975 1.00 0.00 C ATOM 355 C LEU A 533 -5.093 4.241 6.653 1.00 0.00 C ATOM 356 O LEU A 533 -5.566 4.174 5.525 1.00 0.00 O ATOM 357 CB LEU A 533 -4.231 2.117 7.790 1.00 0.00 C ATOM 358 CG LEU A 533 -4.145 0.726 7.116 1.00 0.00 C ATOM 359 CD1 LEU A 533 -5.411 0.384 6.334 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.922 0.498 6.222 1.00 0.00 C ATOM 0 H LEU A 533 -3.336 4.954 8.236 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.432 3.046 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.586 2.095 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.253 2.244 8.148 1.00 0.00 H new ATOM 0 HG LEU A 533 -4.034 0.051 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -5.303 -0.601 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -6.266 0.380 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.569 1.128 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.961 -0.507 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -2.920 1.230 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -2.013 0.608 6.814 1.00 0.00 H new ATOM 372 N ARG A 534 -5.573 5.086 7.584 1.00 0.00 N ATOM 373 CA ARG A 534 -6.539 6.163 7.305 1.00 0.00 C ATOM 374 C ARG A 534 -5.974 7.121 6.261 1.00 0.00 C ATOM 375 O ARG A 534 -6.574 7.263 5.204 1.00 0.00 O ATOM 376 CB ARG A 534 -6.880 6.972 8.574 1.00 0.00 C ATOM 377 CG ARG A 534 -7.983 6.388 9.464 1.00 0.00 C ATOM 378 CD ARG A 534 -9.385 6.613 8.873 1.00 0.00 C ATOM 379 NE ARG A 534 -10.438 6.420 9.887 1.00 0.00 N ATOM 380 CZ ARG A 534 -11.748 6.611 9.682 1.00 0.00 C ATOM 381 NH1 ARG A 534 -12.217 6.980 8.500 1.00 0.00 N ATOM 382 NH2 ARG A 534 -12.613 6.416 10.669 1.00 0.00 N ATOM 0 H ARG A 534 -5.296 5.039 8.565 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.448 5.687 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -5.974 7.074 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.177 7.976 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.813 5.319 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.930 6.844 10.453 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -9.451 7.622 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -9.546 5.924 8.044 1.00 0.00 H new ATOM 0 HE ARG A 534 -10.146 6.118 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -11.576 7.125 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -13.219 7.119 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -12.281 6.120 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -13.610 6.562 10.510 1.00 0.00 H new ATOM 396 N GLU A 535 -4.819 7.731 6.541 1.00 0.00 N ATOM 397 CA GLU A 535 -4.135 8.672 5.648 1.00 0.00 C ATOM 398 C GLU A 535 -3.996 8.077 4.246 1.00 0.00 C ATOM 399 O GLU A 535 -4.240 8.708 3.218 1.00 0.00 O ATOM 400 CB GLU A 535 -2.738 8.945 6.203 1.00 0.00 C ATOM 401 CG GLU A 535 -2.775 10.003 7.299 1.00 0.00 C ATOM 402 CD GLU A 535 -2.735 11.449 6.795 1.00 0.00 C ATOM 403 OE1 GLU A 535 -3.210 11.730 5.673 1.00 0.00 O ATOM 404 OE2 GLU A 535 -2.218 12.284 7.578 1.00 0.00 O ATOM 0 H GLU A 535 -4.320 7.580 7.418 1.00 0.00 H new ATOM 0 HA GLU A 535 -4.717 9.592 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.315 8.022 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.082 9.276 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -3.681 9.863 7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -1.930 9.843 7.969 1.00 0.00 H new ATOM 411 N MET A 536 -3.591 6.812 4.242 1.00 0.00 N ATOM 412 CA MET A 536 -3.272 6.018 3.083 1.00 0.00 C ATOM 413 C MET A 536 -4.521 5.823 2.226 1.00 0.00 C ATOM 414 O MET A 536 -4.482 6.198 1.056 1.00 0.00 O ATOM 415 CB MET A 536 -2.633 4.720 3.581 1.00 0.00 C ATOM 416 CG MET A 536 -1.283 5.010 4.252 1.00 0.00 C ATOM 417 SD MET A 536 0.060 5.295 3.088 1.00 0.00 S ATOM 418 CE MET A 536 0.359 3.581 2.629 1.00 0.00 C ATOM 0 H MET A 536 -3.472 6.289 5.110 1.00 0.00 H new ATOM 0 HA MET A 536 -2.554 6.509 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.300 4.228 4.289 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.491 4.034 2.746 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.387 5.885 4.894 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.021 4.171 4.897 1.00 0.00 H new ATOM 0 HE1 MET A 536 0.968 3.547 1.726 1.00 0.00 H new ATOM 0 HE2 MET A 536 0.883 3.074 3.439 1.00 0.00 H new ATOM 0 HE3 MET A 536 -0.593 3.083 2.444 1.00 0.00 H new ATOM 428 N LEU A 537 -5.621 5.275 2.759 1.00 0.00 N ATOM 429 CA LEU A 537 -6.938 5.289 2.158 1.00 0.00 C ATOM 430 C LEU A 537 -7.347 6.661 1.635 1.00 0.00 C ATOM 431 O LEU A 537 -7.800 6.758 0.497 1.00 0.00 O ATOM 432 CB LEU A 537 -7.918 4.842 3.247 1.00 0.00 C ATOM 433 CG LEU A 537 -8.276 3.370 3.130 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.186 2.307 3.187 1.00 0.00 C ATOM 435 CD2 LEU A 537 -9.285 3.044 4.225 1.00 0.00 C ATOM 0 H LEU A 537 -5.604 4.793 3.658 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.940 4.627 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.480 5.030 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.826 5.441 3.184 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.633 3.299 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.636 1.319 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.478 2.468 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.663 2.372 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.560 1.991 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.842 3.248 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -10.175 3.660 4.095 1.00 0.00 H new ATOM 447 N ALA A 538 -7.250 7.703 2.463 1.00 0.00 N ATOM 448 CA ALA A 538 -7.700 9.044 2.122 1.00 0.00 C ATOM 449 C ALA A 538 -6.995 9.524 0.852 1.00 0.00 C ATOM 450 O ALA A 538 -7.650 9.965 -0.095 1.00 0.00 O ATOM 451 CB ALA A 538 -7.452 9.992 3.300 1.00 0.00 C ATOM 0 H ALA A 538 -6.851 7.633 3.399 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.772 9.032 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -7.791 10.994 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.002 9.639 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.386 10.018 3.528 1.00 0.00 H new ATOM 457 N HIS A 539 -5.666 9.405 0.825 1.00 0.00 N ATOM 458 CA HIS A 539 -4.846 9.774 -0.315 1.00 0.00 C ATOM 459 C HIS A 539 -5.103 8.851 -1.503 1.00 0.00 C ATOM 460 O HIS A 539 -5.115 9.313 -2.645 1.00 0.00 O ATOM 461 CB HIS A 539 -3.367 9.741 0.088 1.00 0.00 C ATOM 462 CG HIS A 539 -2.478 10.212 -1.031 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.387 11.514 -1.479 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.733 9.416 -1.854 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.615 11.509 -2.576 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.178 10.253 -2.804 1.00 0.00 N ATOM 0 H HIS A 539 -5.127 9.043 1.611 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.112 10.785 -0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.214 10.370 0.965 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.089 8.726 0.372 1.00 0.00 H new ATOM 0 HD1 HIS A 539 -2.826 12.331 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.603 8.347 -1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.381 12.373 -3.180 1.00 0.00 H new ATOM 475 N ALA A 540 -5.247 7.546 -1.266 1.00 0.00 N ATOM 476 CA ALA A 540 -5.426 6.576 -2.329 1.00 0.00 C ATOM 477 C ALA A 540 -6.734 6.760 -3.078 1.00 0.00 C ATOM 478 O ALA A 540 -6.707 6.548 -4.283 1.00 0.00 O ATOM 479 CB ALA A 540 -5.372 5.160 -1.782 1.00 0.00 C ATOM 0 H ALA A 540 -5.242 7.140 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.607 6.742 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.509 4.450 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.405 4.989 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.164 5.024 -1.046 1.00 0.00 H new ATOM 485 N GLU A 541 -7.841 7.128 -2.425 1.00 0.00 N ATOM 486 CA GLU A 541 -9.053 7.515 -3.114 1.00 0.00 C ATOM 487 C GLU A 541 -8.763 8.798 -3.891 1.00 0.00 C ATOM 488 O GLU A 541 -8.894 8.813 -5.109 1.00 0.00 O ATOM 489 CB GLU A 541 -10.179 7.718 -2.090 1.00 0.00 C ATOM 490 CG GLU A 541 -10.806 6.403 -1.610 1.00 0.00 C ATOM 491 CD GLU A 541 -12.207 6.562 -1.006 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.306 6.777 0.228 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.225 6.359 -1.701 1.00 0.00 O ATOM 0 H GLU A 541 -7.911 7.162 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.376 6.741 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.785 8.260 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.955 8.342 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.861 5.711 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -10.150 5.950 -0.866 1.00 0.00 H new ATOM 500 N GLU A 542 -8.268 9.831 -3.199 1.00 0.00 N ATOM 501 CA GLU A 542 -8.072 11.182 -3.733 1.00 0.00 C ATOM 502 C GLU A 542 -7.273 11.196 -5.034 1.00 0.00 C ATOM 503 O GLU A 542 -7.535 12.007 -5.918 1.00 0.00 O ATOM 504 CB GLU A 542 -7.354 12.014 -2.661 1.00 0.00 C ATOM 505 CG GLU A 542 -6.990 13.438 -3.097 1.00 0.00 C ATOM 506 CD GLU A 542 -6.722 14.318 -1.878 1.00 0.00 C ATOM 507 OE1 GLU A 542 -5.589 14.332 -1.337 1.00 0.00 O ATOM 508 OE2 GLU A 542 -7.656 15.012 -1.419 1.00 0.00 O ATOM 0 H GLU A 542 -7.985 9.746 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.048 11.604 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -7.989 12.070 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.443 11.494 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -6.108 13.415 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -7.802 13.862 -3.688 1.00 0.00 H new ATOM 515 N THR A 543 -6.298 10.294 -5.160 1.00 0.00 N ATOM 516 CA THR A 543 -5.442 10.241 -6.334 1.00 0.00 C ATOM 517 C THR A 543 -5.691 8.996 -7.200 1.00 0.00 C ATOM 518 O THR A 543 -4.959 8.756 -8.162 1.00 0.00 O ATOM 519 CB THR A 543 -3.973 10.445 -5.927 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.554 9.601 -4.861 1.00 0.00 O ATOM 521 CG2 THR A 543 -3.716 11.881 -5.476 1.00 0.00 C ATOM 0 H THR A 543 -6.085 9.588 -4.455 1.00 0.00 H new ATOM 0 HA THR A 543 -5.706 11.069 -6.991 1.00 0.00 H new ATOM 0 HB THR A 543 -3.406 10.198 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.160 9.711 -4.099 1.00 0.00 H new ATOM 0 HG21 THR A 543 -2.669 11.992 -5.195 1.00 0.00 H new ATOM 0 HG22 THR A 543 -3.948 12.566 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.348 12.112 -4.618 1.00 0.00 H new ATOM 529 N ARG A 544 -6.690 8.170 -6.861 1.00 0.00 N ATOM 530 CA ARG A 544 -6.837 6.778 -7.303 1.00 0.00 C ATOM 531 C ARG A 544 -5.490 6.072 -7.472 1.00 0.00 C ATOM 532 O ARG A 544 -5.215 5.497 -8.529 1.00 0.00 O ATOM 533 CB ARG A 544 -7.776 6.633 -8.503 1.00 0.00 C ATOM 534 CG ARG A 544 -9.238 6.861 -8.094 1.00 0.00 C ATOM 535 CD ARG A 544 -9.719 8.297 -8.347 1.00 0.00 C ATOM 536 NE ARG A 544 -11.100 8.333 -8.866 1.00 0.00 N ATOM 537 CZ ARG A 544 -11.549 7.703 -9.958 1.00 0.00 C ATOM 538 NH1 ARG A 544 -10.699 7.239 -10.863 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.850 7.534 -10.133 1.00 0.00 N ATOM 0 H ARG A 544 -7.448 8.466 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.337 6.244 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.496 7.349 -9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.667 5.638 -8.935 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.875 6.169 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.353 6.627 -7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.665 8.866 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.051 8.783 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.776 8.890 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -9.695 7.361 -10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -11.049 6.760 -11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -13.508 7.884 -9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.195 7.054 -10.964 1.00 0.00 H new ATOM 553 N LYS A 545 -4.606 6.161 -6.473 1.00 0.00 N ATOM 554 CA LYS A 545 -3.306 5.490 -6.523 1.00 0.00 C ATOM 555 C LYS A 545 -3.467 4.060 -6.033 1.00 0.00 C ATOM 556 O LYS A 545 -4.200 3.814 -5.072 1.00 0.00 O ATOM 557 CB LYS A 545 -2.231 6.276 -5.754 1.00 0.00 C ATOM 558 CG LYS A 545 -1.792 7.460 -6.624 1.00 0.00 C ATOM 559 CD LYS A 545 -0.651 8.304 -6.050 1.00 0.00 C ATOM 560 CE LYS A 545 -0.547 9.521 -6.979 1.00 0.00 C ATOM 561 NZ LYS A 545 0.792 10.138 -7.067 1.00 0.00 N ATOM 0 H LYS A 545 -4.769 6.693 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.951 5.455 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.626 6.630 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.380 5.634 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.486 7.080 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.653 8.107 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -0.863 8.608 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.283 7.743 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -0.856 9.220 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -1.255 10.277 -6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 0.823 10.786 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.988 10.668 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 1.509 9.395 -7.190 1.00 0.00 H new ATOM 575 N LEU A 546 -2.789 3.132 -6.708 1.00 0.00 N ATOM 576 CA LEU A 546 -2.886 1.703 -6.446 1.00 0.00 C ATOM 577 C LEU A 546 -2.267 1.394 -5.087 1.00 0.00 C ATOM 578 O LEU A 546 -1.162 1.850 -4.781 1.00 0.00 O ATOM 579 CB LEU A 546 -2.189 0.931 -7.579 1.00 0.00 C ATOM 580 CG LEU A 546 -2.121 -0.596 -7.370 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.505 -1.232 -7.201 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.432 -1.248 -8.565 1.00 0.00 C ATOM 0 H LEU A 546 -2.146 3.361 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.930 1.391 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.712 1.133 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.175 1.314 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.558 -0.763 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.396 -2.307 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.001 -0.798 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -4.103 -1.044 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.386 -2.327 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.996 -1.032 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.421 -0.852 -8.663 1.00 0.00 H new ATOM 594 N MET A 547 -2.951 0.577 -4.292 1.00 0.00 N ATOM 595 CA MET A 547 -2.586 0.260 -2.925 1.00 0.00 C ATOM 596 C MET A 547 -2.212 -1.226 -2.809 1.00 0.00 C ATOM 597 O MET A 547 -3.079 -2.060 -2.553 1.00 0.00 O ATOM 598 CB MET A 547 -3.749 0.682 -2.014 1.00 0.00 C ATOM 599 CG MET A 547 -3.307 0.799 -0.558 1.00 0.00 C ATOM 600 SD MET A 547 -4.529 1.591 0.518 1.00 0.00 S ATOM 601 CE MET A 547 -3.634 1.607 2.090 1.00 0.00 C ATOM 0 H MET A 547 -3.802 0.104 -4.596 1.00 0.00 H new ATOM 0 HA MET A 547 -1.699 0.809 -2.607 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.148 1.638 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.556 -0.046 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.090 -0.197 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.377 1.367 -0.515 1.00 0.00 H new ATOM 0 HE1 MET A 547 -4.062 2.366 2.745 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.716 0.629 2.565 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.584 1.836 1.908 1.00 0.00 H new ATOM 611 N PRO A 548 -0.942 -1.619 -3.003 1.00 0.00 N ATOM 612 CA PRO A 548 -0.535 -3.003 -2.806 1.00 0.00 C ATOM 613 C PRO A 548 -0.541 -3.343 -1.307 1.00 0.00 C ATOM 614 O PRO A 548 -0.018 -2.565 -0.497 1.00 0.00 O ATOM 615 CB PRO A 548 0.838 -3.123 -3.470 1.00 0.00 C ATOM 616 CG PRO A 548 1.413 -1.722 -3.333 1.00 0.00 C ATOM 617 CD PRO A 548 0.193 -0.804 -3.399 1.00 0.00 C ATOM 0 HA PRO A 548 -1.216 -3.725 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.462 -3.865 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.755 -3.424 -4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 548 1.950 -1.603 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.120 -1.502 -4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.311 0.051 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.057 -0.408 -4.405 1.00 0.00 H new ATOM 625 N ILE A 549 -1.126 -4.485 -0.937 1.00 0.00 N ATOM 626 CA ILE A 549 -1.295 -4.964 0.435 1.00 0.00 C ATOM 627 C ILE A 549 -0.896 -6.441 0.450 1.00 0.00 C ATOM 628 O ILE A 549 -1.174 -7.170 -0.503 1.00 0.00 O ATOM 629 CB ILE A 549 -2.758 -4.788 0.898 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.292 -3.342 0.834 1.00 0.00 C ATOM 631 CG2 ILE A 549 -3.003 -5.367 2.301 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.720 -2.362 1.862 1.00 0.00 C ATOM 0 H ILE A 549 -1.514 -5.133 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.671 -4.391 1.121 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.325 -5.361 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.093 -2.948 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.375 -3.371 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -4.046 -5.218 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.777 -6.433 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.360 -4.861 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -3.170 -1.380 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.942 -2.719 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.640 -2.289 1.733 1.00 0.00 H new ATOM 644 N CYS A 550 -0.245 -6.874 1.527 1.00 0.00 N ATOM 645 CA CYS A 550 0.187 -8.242 1.712 1.00 0.00 C ATOM 646 C CYS A 550 -0.849 -8.963 2.570 1.00 0.00 C ATOM 647 O CYS A 550 -0.974 -8.667 3.760 1.00 0.00 O ATOM 648 CB CYS A 550 1.559 -8.245 2.391 1.00 0.00 C ATOM 649 SG CYS A 550 2.373 -9.822 2.033 1.00 0.00 S ATOM 0 H CYS A 550 -0.002 -6.264 2.308 1.00 0.00 H new ATOM 0 HA CYS A 550 0.276 -8.756 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.164 -7.415 2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.449 -8.111 3.467 1.00 0.00 H new ATOM 0 HG CYS A 550 2.763 -9.838 0.793 1.00 0.00 H new ATOM 655 N MET A 551 -1.541 -9.948 1.995 1.00 0.00 N ATOM 656 CA MET A 551 -2.651 -10.653 2.640 1.00 0.00 C ATOM 657 C MET A 551 -2.265 -11.432 3.907 1.00 0.00 C ATOM 658 O MET A 551 -3.120 -11.941 4.631 1.00 0.00 O ATOM 659 CB MET A 551 -3.323 -11.558 1.604 1.00 0.00 C ATOM 660 CG MET A 551 -2.502 -12.771 1.166 1.00 0.00 C ATOM 661 SD MET A 551 -3.436 -13.943 0.151 1.00 0.00 S ATOM 662 CE MET A 551 -3.875 -12.934 -1.292 1.00 0.00 C ATOM 0 H MET A 551 -1.343 -10.284 1.053 1.00 0.00 H new ATOM 0 HA MET A 551 -3.350 -9.897 2.999 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.270 -11.910 2.013 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.558 -10.961 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.632 -12.428 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.128 -13.286 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.326 -13.568 -2.055 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.586 -12.163 -0.994 1.00 0.00 H new ATOM 0 HE3 MET A 551 -2.977 -12.464 -1.694 1.00 0.00 H new ATOM 672 N ASP A 552 -0.964 -11.558 4.148 1.00 0.00 N ATOM 673 CA ASP A 552 -0.316 -12.043 5.359 1.00 0.00 C ATOM 674 C ASP A 552 -0.734 -11.217 6.577 1.00 0.00 C ATOM 675 O ASP A 552 -1.094 -11.779 7.612 1.00 0.00 O ATOM 676 CB ASP A 552 1.176 -11.928 5.053 1.00 0.00 C ATOM 677 CG ASP A 552 2.190 -12.450 6.065 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.830 -13.048 7.103 1.00 0.00 O ATOM 679 OD2 ASP A 552 3.390 -12.272 5.760 1.00 0.00 O ATOM 0 H ASP A 552 -0.278 -11.301 3.439 1.00 0.00 H new ATOM 0 HA ASP A 552 -0.595 -13.066 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.358 -12.446 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.395 -10.874 4.885 1.00 0.00 H new ATOM 684 N VAL A 553 -0.760 -9.889 6.448 1.00 0.00 N ATOM 685 CA VAL A 553 -0.971 -8.976 7.563 1.00 0.00 C ATOM 686 C VAL A 553 -2.469 -8.912 7.901 1.00 0.00 C ATOM 687 O VAL A 553 -3.180 -7.992 7.489 1.00 0.00 O ATOM 688 CB VAL A 553 -0.327 -7.602 7.247 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.326 -6.693 8.486 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.134 -7.742 6.775 1.00 0.00 C ATOM 0 H VAL A 553 -0.633 -9.416 5.553 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.474 -9.338 8.463 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.930 -7.166 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.132 -5.736 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -1.351 -6.529 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.242 -7.168 9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.545 -6.754 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 553 1.724 -8.222 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.167 -8.349 5.870 1.00 0.00 H new ATOM 700 N ARG A 554 -2.962 -9.882 8.680 1.00 0.00 N ATOM 701 CA ARG A 554 -4.337 -9.928 9.184 1.00 0.00 C ATOM 702 C ARG A 554 -4.735 -8.630 9.868 1.00 0.00 C ATOM 703 O ARG A 554 -5.889 -8.238 9.733 1.00 0.00 O ATOM 704 CB ARG A 554 -4.552 -11.108 10.147 1.00 0.00 C ATOM 705 CG ARG A 554 -4.472 -12.477 9.459 1.00 0.00 C ATOM 706 CD ARG A 554 -5.639 -12.725 8.490 1.00 0.00 C ATOM 707 NE ARG A 554 -5.179 -12.939 7.105 1.00 0.00 N ATOM 708 CZ ARG A 554 -5.467 -13.981 6.313 1.00 0.00 C ATOM 709 NH1 ARG A 554 -6.243 -14.974 6.735 1.00 0.00 N ATOM 710 NH2 ARG A 554 -4.969 -14.006 5.085 1.00 0.00 N ATOM 0 H ARG A 554 -2.400 -10.677 8.984 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.976 -10.069 8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.804 -11.063 10.938 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.527 -11.005 10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.531 -12.550 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.463 -13.260 10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.205 -13.596 8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -6.319 -11.873 8.518 1.00 0.00 H new ATOM 0 HE ARG A 554 -4.578 -12.217 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -6.632 -14.952 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -6.450 -15.758 6.116 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -4.378 -13.241 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -5.176 -14.790 4.466 1.00 0.00 H new ATOM 724 N ALA A 555 -3.809 -7.936 10.537 1.00 0.00 N ATOM 725 CA ALA A 555 -4.091 -6.637 11.134 1.00 0.00 C ATOM 726 C ALA A 555 -4.630 -5.648 10.088 1.00 0.00 C ATOM 727 O ALA A 555 -5.729 -5.116 10.244 1.00 0.00 O ATOM 728 CB ALA A 555 -2.838 -6.105 11.842 1.00 0.00 C ATOM 0 H ALA A 555 -2.852 -8.260 10.677 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.875 -6.754 11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -3.056 -5.134 12.286 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.538 -6.803 12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -2.029 -6.000 11.119 1.00 0.00 H new ATOM 734 N ILE A 556 -3.877 -5.415 9.013 1.00 0.00 N ATOM 735 CA ILE A 556 -4.259 -4.518 7.921 1.00 0.00 C ATOM 736 C ILE A 556 -5.519 -5.056 7.230 1.00 0.00 C ATOM 737 O ILE A 556 -6.411 -4.271 6.888 1.00 0.00 O ATOM 738 CB ILE A 556 -3.034 -4.334 6.989 1.00 0.00 C ATOM 739 CG1 ILE A 556 -2.056 -3.354 7.680 1.00 0.00 C ATOM 740 CG2 ILE A 556 -3.384 -3.855 5.573 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.755 -3.087 6.914 1.00 0.00 C ATOM 0 H ILE A 556 -2.966 -5.853 8.874 1.00 0.00 H new ATOM 0 HA ILE A 556 -4.529 -3.525 8.280 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.577 -5.312 6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -2.568 -2.405 7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.805 -3.749 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.470 -3.752 4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -4.042 -4.581 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.889 -2.891 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.137 -2.389 7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.214 -4.023 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.988 -2.659 5.939 1.00 0.00 H new ATOM 753 N MET A 557 -5.626 -6.382 7.065 1.00 0.00 N ATOM 754 CA MET A 557 -6.798 -6.998 6.457 1.00 0.00 C ATOM 755 C MET A 557 -8.059 -6.674 7.264 1.00 0.00 C ATOM 756 O MET A 557 -9.105 -6.364 6.696 1.00 0.00 O ATOM 757 CB MET A 557 -6.660 -8.529 6.354 1.00 0.00 C ATOM 758 CG MET A 557 -5.439 -9.118 5.631 1.00 0.00 C ATOM 759 SD MET A 557 -5.853 -9.919 4.066 1.00 0.00 S ATOM 760 CE MET A 557 -6.227 -8.373 3.237 1.00 0.00 C ATOM 0 H MET A 557 -4.906 -7.046 7.349 1.00 0.00 H new ATOM 0 HA MET A 557 -6.879 -6.586 5.451 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.667 -8.929 7.368 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.552 -8.907 5.855 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.717 -8.323 5.444 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.953 -9.842 6.285 1.00 0.00 H new ATOM 0 HE1 MET A 557 -5.955 -8.450 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.293 -8.163 3.322 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.660 -7.565 3.700 1.00 0.00 H new ATOM 770 N ALA A 558 -7.982 -6.718 8.595 1.00 0.00 N ATOM 771 CA ALA A 558 -9.119 -6.416 9.443 1.00 0.00 C ATOM 772 C ALA A 558 -9.671 -5.035 9.100 1.00 0.00 C ATOM 773 O ALA A 558 -10.886 -4.878 8.956 1.00 0.00 O ATOM 774 CB ALA A 558 -8.713 -6.485 10.916 1.00 0.00 C ATOM 0 H ALA A 558 -7.133 -6.963 9.105 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.900 -7.156 9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.575 -6.256 11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.352 -7.487 11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.922 -5.761 11.110 1.00 0.00 H new ATOM 780 N THR A 559 -8.778 -4.059 8.935 1.00 0.00 N ATOM 781 CA THR A 559 -9.134 -2.661 8.818 1.00 0.00 C ATOM 782 C THR A 559 -9.696 -2.370 7.421 1.00 0.00 C ATOM 783 O THR A 559 -10.696 -1.650 7.339 1.00 0.00 O ATOM 784 CB THR A 559 -7.903 -1.819 9.204 1.00 0.00 C ATOM 785 OG1 THR A 559 -7.456 -2.190 10.501 1.00 0.00 O ATOM 786 CG2 THR A 559 -8.183 -0.314 9.236 1.00 0.00 C ATOM 0 H THR A 559 -7.774 -4.229 8.879 1.00 0.00 H new ATOM 0 HA THR A 559 -9.937 -2.389 9.504 1.00 0.00 H new ATOM 0 HB THR A 559 -7.154 -2.016 8.437 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.672 -1.654 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 559 -7.274 0.219 9.515 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.510 0.016 8.250 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.965 -0.105 9.966 1.00 0.00 H new ATOM 794 N ILE A 560 -9.123 -2.931 6.342 1.00 0.00 N ATOM 795 CA ILE A 560 -9.624 -2.743 4.986 1.00 0.00 C ATOM 796 C ILE A 560 -10.968 -3.438 4.840 1.00 0.00 C ATOM 797 O ILE A 560 -11.961 -2.757 4.600 1.00 0.00 O ATOM 798 CB ILE A 560 -8.591 -3.254 3.967 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.367 -2.323 3.978 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.211 -3.315 2.550 1.00 0.00 C ATOM 801 CD1 ILE A 560 -6.175 -2.853 3.173 1.00 0.00 C ATOM 0 H ILE A 560 -8.297 -3.528 6.395 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.775 -1.682 4.788 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.281 -4.262 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.659 -1.351 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -7.054 -2.163 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.466 -3.679 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -10.066 -3.991 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.538 -2.319 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.352 -2.140 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.855 -3.810 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.469 -2.986 2.132 1.00 0.00 H new ATOM 813 N GLN A 561 -11.042 -4.766 4.962 1.00 0.00 N ATOM 814 CA GLN A 561 -12.260 -5.495 4.684 1.00 0.00 C ATOM 815 C GLN A 561 -13.446 -5.024 5.551 1.00 0.00 C ATOM 816 O GLN A 561 -14.597 -5.239 5.170 1.00 0.00 O ATOM 817 CB GLN A 561 -11.974 -6.986 4.887 1.00 0.00 C ATOM 818 CG GLN A 561 -11.109 -7.696 3.826 1.00 0.00 C ATOM 819 CD GLN A 561 -9.887 -6.959 3.297 1.00 0.00 C ATOM 820 OE1 GLN A 561 -8.972 -6.634 4.029 1.00 0.00 O ATOM 821 NE2 GLN A 561 -9.798 -6.729 2.000 1.00 0.00 N ATOM 0 H GLN A 561 -10.261 -5.353 5.254 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.562 -5.304 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.486 -7.106 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.930 -7.507 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -10.772 -8.643 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -11.749 -7.935 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.562 -6.999 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -8.965 -6.281 1.617 1.00 0.00 H new ATOM 830 N ARG A 562 -13.200 -4.362 6.692 1.00 0.00 N ATOM 831 CA ARG A 562 -14.234 -3.697 7.484 1.00 0.00 C ATOM 832 C ARG A 562 -14.633 -2.329 6.920 1.00 0.00 C ATOM 833 O ARG A 562 -15.798 -1.950 7.018 1.00 0.00 O ATOM 834 CB ARG A 562 -13.747 -3.607 8.941 1.00 0.00 C ATOM 835 CG ARG A 562 -14.756 -2.937 9.881 1.00 0.00 C ATOM 836 CD ARG A 562 -14.475 -1.433 10.042 1.00 0.00 C ATOM 837 NE ARG A 562 -15.671 -0.714 10.494 1.00 0.00 N ATOM 838 CZ ARG A 562 -16.184 -0.760 11.726 1.00 0.00 C ATOM 839 NH1 ARG A 562 -15.572 -1.426 12.697 1.00 0.00 N ATOM 840 NH2 ARG A 562 -17.323 -0.134 11.966 1.00 0.00 N ATOM 0 H ARG A 562 -12.265 -4.275 7.091 1.00 0.00 H new ATOM 0 HA ARG A 562 -15.147 -4.291 7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -13.532 -4.611 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.810 -3.050 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -15.764 -3.079 9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -14.720 -3.420 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.667 -1.286 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.137 -1.020 9.092 1.00 0.00 H new ATOM 0 HE ARG A 562 -16.151 -0.130 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -14.696 -1.913 12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -15.978 -1.451 13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -17.794 0.373 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -17.731 -0.158 12.901 1.00 0.00 H new ATOM 854 N LYS A 563 -13.691 -1.548 6.384 1.00 0.00 N ATOM 855 CA LYS A 563 -13.933 -0.230 5.784 1.00 0.00 C ATOM 856 C LYS A 563 -14.717 -0.323 4.474 1.00 0.00 C ATOM 857 O LYS A 563 -15.295 0.674 4.041 1.00 0.00 O ATOM 858 CB LYS A 563 -12.577 0.410 5.464 1.00 0.00 C ATOM 859 CG LYS A 563 -12.625 1.933 5.284 1.00 0.00 C ATOM 860 CD LYS A 563 -12.269 2.718 6.548 1.00 0.00 C ATOM 861 CE LYS A 563 -10.844 2.393 7.014 1.00 0.00 C ATOM 862 NZ LYS A 563 -10.823 1.482 8.178 1.00 0.00 N ATOM 0 H LYS A 563 -12.709 -1.822 6.354 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.515 0.356 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.878 0.172 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.182 -0.040 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -11.938 2.217 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.626 2.219 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.357 3.787 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.978 2.479 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.291 1.939 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.330 3.319 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.116 1.813 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.762 1.469 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -10.576 0.522 7.863 1.00 0.00 H new ATOM 876 N TYR A 564 -14.672 -1.483 3.824 1.00 0.00 N ATOM 877 CA TYR A 564 -15.281 -1.727 2.532 1.00 0.00 C ATOM 878 C TYR A 564 -16.143 -2.979 2.686 1.00 0.00 C ATOM 879 O TYR A 564 -15.719 -4.075 2.328 1.00 0.00 O ATOM 880 CB TYR A 564 -14.158 -1.853 1.484 1.00 0.00 C ATOM 881 CG TYR A 564 -13.271 -0.622 1.374 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.708 0.477 0.614 1.00 0.00 C ATOM 883 CD2 TYR A 564 -12.040 -0.546 2.063 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.959 1.662 0.586 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.276 0.637 2.052 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.767 1.758 1.337 1.00 0.00 C ATOM 887 OH TYR A 564 -11.130 2.953 1.421 1.00 0.00 O ATOM 0 H TYR A 564 -14.194 -2.302 4.200 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.926 -0.919 2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.538 -2.714 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.605 -2.054 0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.626 0.408 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.680 -1.407 2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.293 2.499 -0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.334 0.689 2.578 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.348 3.381 2.275 1.00 0.00 H new ATOM 897 N LYS A 565 -17.306 -2.864 3.339 1.00 0.00 N ATOM 898 CA LYS A 565 -18.144 -4.008 3.690 1.00 0.00 C ATOM 899 C LYS A 565 -18.417 -4.893 2.474 1.00 0.00 C ATOM 900 O LYS A 565 -18.654 -4.386 1.382 1.00 0.00 O ATOM 901 CB LYS A 565 -19.415 -3.518 4.396 1.00 0.00 C ATOM 902 CG LYS A 565 -20.503 -3.114 3.403 1.00 0.00 C ATOM 903 CD LYS A 565 -21.787 -2.574 4.039 1.00 0.00 C ATOM 904 CE LYS A 565 -22.477 -3.633 4.905 1.00 0.00 C ATOM 905 NZ LYS A 565 -23.874 -3.262 5.200 1.00 0.00 N ATOM 0 H LYS A 565 -17.691 -1.968 3.639 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.614 -4.649 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.794 -4.305 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.171 -2.667 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.099 -2.355 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.754 -3.979 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.552 -1.701 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -22.469 -2.242 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -22.455 -4.595 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.927 -3.757 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -24.312 -4.000 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -23.892 -2.356 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -24.404 -3.168 4.310 1.00 0.00 H new ATOM 919 N GLY A 566 -18.480 -6.210 2.682 1.00 0.00 N ATOM 920 CA GLY A 566 -18.815 -7.199 1.661 1.00 0.00 C ATOM 921 C GLY A 566 -17.580 -7.820 1.019 1.00 0.00 C ATOM 922 O GLY A 566 -17.639 -8.973 0.600 1.00 0.00 O ATOM 0 H GLY A 566 -18.293 -6.628 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.422 -7.986 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.423 -6.727 0.889 1.00 0.00 H new ATOM 926 N ILE A 567 -16.442 -7.127 1.002 1.00 0.00 N ATOM 927 CA ILE A 567 -15.214 -7.702 0.478 1.00 0.00 C ATOM 928 C ILE A 567 -14.764 -8.857 1.397 1.00 0.00 C ATOM 929 O ILE A 567 -14.805 -8.738 2.634 1.00 0.00 O ATOM 930 CB ILE A 567 -14.199 -6.562 0.296 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.040 -6.978 -0.621 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.662 -6.053 1.629 1.00 0.00 C ATOM 933 CD1 ILE A 567 -11.945 -5.910 -0.678 1.00 0.00 C ATOM 0 H ILE A 567 -16.350 -6.171 1.345 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.340 -8.158 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.738 -5.743 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -12.614 -7.916 -0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.420 -7.162 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.949 -5.248 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.487 -5.678 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.166 -6.868 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.144 -6.245 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.364 -4.979 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.545 -5.745 0.323 1.00 0.00 H new ATOM 945 N LYS A 568 -14.336 -9.981 0.816 1.00 0.00 N ATOM 946 CA LYS A 568 -14.086 -11.246 1.524 1.00 0.00 C ATOM 947 C LYS A 568 -12.856 -11.971 0.957 1.00 0.00 C ATOM 948 O LYS A 568 -12.812 -13.190 0.848 1.00 0.00 O ATOM 949 CB LYS A 568 -15.367 -12.106 1.477 1.00 0.00 C ATOM 950 CG LYS A 568 -15.405 -13.101 2.645 1.00 0.00 C ATOM 951 CD LYS A 568 -16.651 -13.988 2.596 1.00 0.00 C ATOM 952 CE LYS A 568 -16.643 -14.891 3.833 1.00 0.00 C ATOM 953 NZ LYS A 568 -17.692 -15.925 3.781 1.00 0.00 N ATOM 0 H LYS A 568 -14.148 -10.041 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.850 -11.045 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.244 -11.460 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.411 -12.647 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -14.513 -13.726 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -15.384 -12.555 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -17.553 -13.376 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -16.655 -14.589 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -15.668 -15.370 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -16.782 -14.281 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -17.646 -16.510 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -18.625 -15.470 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -17.546 -16.526 2.945 1.00 0.00 H new ATOM 967 N ILE A 569 -11.814 -11.172 0.733 1.00 0.00 N ATOM 968 CA ILE A 569 -10.490 -11.461 0.211 1.00 0.00 C ATOM 969 C ILE A 569 -10.464 -12.177 -1.139 1.00 0.00 C ATOM 970 O ILE A 569 -11.227 -13.091 -1.444 1.00 0.00 O ATOM 971 CB ILE A 569 -9.585 -12.129 1.261 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.529 -11.378 2.604 1.00 0.00 C ATOM 973 CG2 ILE A 569 -8.159 -12.175 0.688 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.073 -9.925 2.454 1.00 0.00 C ATOM 0 H ILE A 569 -11.896 -10.177 0.943 1.00 0.00 H new ATOM 0 HA ILE A 569 -10.064 -10.482 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 569 -10.001 -13.116 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.515 -11.398 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.849 -11.899 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.491 -12.644 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.157 -12.753 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.816 -11.161 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.053 -9.447 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.074 -9.900 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.766 -9.391 1.804 1.00 0.00 H new ATOM 986 N GLN A 570 -9.530 -11.699 -1.953 1.00 0.00 N ATOM 987 CA GLN A 570 -9.274 -12.050 -3.324 1.00 0.00 C ATOM 988 C GLN A 570 -7.739 -12.075 -3.472 1.00 0.00 C ATOM 989 O GLN A 570 -7.023 -11.639 -2.561 1.00 0.00 O ATOM 990 CB GLN A 570 -9.953 -10.992 -4.220 1.00 0.00 C ATOM 991 CG GLN A 570 -11.317 -10.420 -3.749 1.00 0.00 C ATOM 992 CD GLN A 570 -11.245 -8.988 -3.195 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.777 -8.682 -1.978 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.615 -8.065 -3.909 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.876 -10.988 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.675 -13.020 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.261 -10.158 -4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.095 -11.430 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -12.014 -10.438 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.726 -11.075 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.978 -8.256 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.560 -7.105 -3.570 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.222 -12.523 -4.613 1.00 0.00 N ATOM 1004 CA GLU A 571 -5.820 -12.399 -4.992 1.00 0.00 C ATOM 1005 C GLU A 571 -5.761 -11.776 -6.382 1.00 0.00 C ATOM 1006 O GLU A 571 -6.672 -11.988 -7.191 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.194 -13.795 -4.956 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.659 -13.835 -5.057 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.091 -15.262 -5.037 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.678 -16.148 -4.365 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.019 -15.499 -5.638 1.00 0.00 O ATOM 0 H GLU A 571 -7.785 -12.996 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.261 -11.759 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.493 -14.284 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.610 -14.382 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.348 -13.340 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.231 -13.269 -4.230 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.687 -11.046 -6.663 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.575 -10.212 -7.852 1.00 0.00 C ATOM 1020 C GLY A 572 -4.880 -8.758 -7.518 1.00 0.00 C ATOM 1021 O GLY A 572 -4.891 -8.342 -6.356 1.00 0.00 O ATOM 0 H GLY A 572 -3.861 -11.017 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.570 -10.292 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.264 -10.567 -8.618 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.109 -7.963 -8.561 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.781 -6.682 -8.440 1.00 0.00 C ATOM 1027 C ILE A 573 -7.128 -6.898 -7.760 1.00 0.00 C ATOM 1028 O ILE A 573 -7.808 -7.912 -7.967 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.932 -6.047 -9.838 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.575 -5.524 -10.356 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.009 -4.939 -9.907 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.006 -4.340 -9.577 1.00 0.00 C ATOM 0 H ILE A 573 -4.831 -8.195 -9.515 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.198 -5.993 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.281 -6.847 -10.492 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -3.853 -6.340 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.688 -5.233 -11.400 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.057 -4.541 -10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.978 -5.356 -9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.752 -4.138 -9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.052 -4.042 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.704 -3.504 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -3.855 -4.628 -8.537 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.514 -5.888 -6.995 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.787 -5.761 -6.340 1.00 0.00 C ATOM 1046 C VAL A 574 -9.353 -4.392 -6.728 1.00 0.00 C ATOM 1047 O VAL A 574 -8.622 -3.420 -6.942 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.554 -6.014 -4.836 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.632 -5.441 -3.909 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.414 -7.524 -4.600 1.00 0.00 C ATOM 0 H VAL A 574 -6.903 -5.093 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.542 -6.487 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.640 -5.480 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.380 -5.670 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.687 -4.360 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.597 -5.885 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.249 -7.713 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.325 -8.028 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.568 -7.905 -5.172 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.675 -4.354 -6.855 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.471 -3.190 -7.205 1.00 0.00 C ATOM 1062 C ASP A 575 -12.680 -3.139 -6.275 1.00 0.00 C ATOM 1063 O ASP A 575 -13.724 -3.740 -6.539 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.858 -3.256 -8.680 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.879 -2.178 -9.029 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -12.517 -0.980 -9.010 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -14.039 -2.513 -9.369 1.00 0.00 O ATOM 0 H ASP A 575 -11.250 -5.184 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.905 -2.268 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.969 -3.133 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.270 -4.239 -8.907 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.501 -2.504 -5.121 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.444 -2.427 -4.033 1.00 0.00 C ATOM 1074 C TYR A 576 -13.073 -1.170 -3.228 1.00 0.00 C ATOM 1075 O TYR A 576 -12.406 -1.224 -2.193 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.370 -3.743 -3.240 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.683 -4.167 -2.621 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.408 -3.279 -1.806 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.197 -5.450 -2.889 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.644 -3.667 -1.263 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.427 -5.848 -2.345 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.167 -4.948 -1.551 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.369 -5.332 -1.057 1.00 0.00 O ATOM 0 H TYR A 576 -11.637 -2.001 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.483 -2.326 -4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -13.021 -4.535 -3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.626 -3.637 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -15.013 -2.296 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.641 -6.131 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -17.193 -2.988 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.806 -6.841 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.437 -5.064 -0.117 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.441 -0.002 -3.752 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.158 1.291 -3.157 1.00 0.00 C ATOM 1095 C GLY A 577 -11.795 1.761 -3.626 1.00 0.00 C ATOM 1096 O GLY A 577 -11.648 2.277 -4.731 1.00 0.00 O ATOM 0 H GLY A 577 -13.959 0.066 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -13.924 2.012 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.178 1.218 -2.070 1.00 0.00 H new ATOM 1100 N VAL A 578 -10.771 1.508 -2.824 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.406 1.976 -3.059 1.00 0.00 C ATOM 1102 C VAL A 578 -8.722 0.892 -3.861 1.00 0.00 C ATOM 1103 O VAL A 578 -8.582 -0.193 -3.317 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.718 2.204 -1.699 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.190 2.243 -1.790 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.198 3.533 -1.119 1.00 0.00 C ATOM 0 H VAL A 578 -10.865 0.958 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.369 2.920 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 578 -8.986 1.360 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.770 2.407 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -6.825 1.296 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -6.885 3.055 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.717 3.705 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.941 4.342 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.279 3.502 -0.984 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.348 1.132 -5.122 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.800 0.120 -6.034 1.00 0.00 C ATOM 1118 C ARG A 579 -6.648 -0.605 -5.335 1.00 0.00 C ATOM 1119 O ARG A 579 -5.594 0.006 -5.143 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.388 0.806 -7.350 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.287 -0.151 -8.549 1.00 0.00 C ATOM 1122 CD ARG A 579 -8.649 -0.511 -9.162 1.00 0.00 C ATOM 1123 NE ARG A 579 -8.474 -1.213 -10.443 1.00 0.00 N ATOM 1124 CZ ARG A 579 -9.425 -1.535 -11.327 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -10.708 -1.247 -11.126 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -9.075 -2.124 -12.464 1.00 0.00 N ATOM 0 H ARG A 579 -8.419 2.056 -5.548 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.541 -0.637 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.111 1.588 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.425 1.295 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.661 0.305 -9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -6.787 -1.066 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -9.210 -1.140 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -9.235 0.395 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 579 -7.521 -1.485 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -10.995 -0.764 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -11.405 -1.509 -11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -8.093 -2.325 -12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -9.788 -2.376 -13.148 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.842 -1.851 -4.890 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.818 -2.595 -4.157 1.00 0.00 C ATOM 1142 C PHE A 580 -5.100 -3.594 -5.083 1.00 0.00 C ATOM 1143 O PHE A 580 -5.567 -3.894 -6.180 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.414 -3.309 -2.927 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.969 -2.466 -1.783 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -6.110 -1.802 -0.887 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.358 -2.402 -1.565 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.629 -1.097 0.213 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.887 -1.640 -0.505 1.00 0.00 C ATOM 1150 CZ PHE A 580 -8.020 -0.984 0.390 1.00 0.00 C ATOM 0 H PHE A 580 -7.710 -2.368 -5.028 1.00 0.00 H new ATOM 0 HA PHE A 580 -5.081 -1.878 -3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.217 -3.957 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.640 -3.956 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -5.042 -1.834 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -9.026 -2.944 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.957 -0.640 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.957 -1.559 -0.379 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.420 -0.399 1.205 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.975 -4.150 -4.624 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.239 -5.238 -5.272 1.00 0.00 C ATOM 1162 C PHE A 581 -2.799 -6.205 -4.176 1.00 0.00 C ATOM 1163 O PHE A 581 -1.932 -5.872 -3.367 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.066 -4.667 -6.090 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.055 -5.665 -6.631 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.216 -6.222 -7.914 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.103 -5.971 -5.889 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.212 -7.041 -8.457 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.102 -6.804 -6.423 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.947 -7.329 -7.716 1.00 0.00 C ATOM 0 H PHE A 581 -3.535 -3.842 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.859 -5.782 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.478 -4.111 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.534 -3.950 -5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.112 -6.019 -8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.225 -5.561 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.331 -7.451 -9.449 1.00 0.00 H new ATOM 0 HE2 PHE A 581 1.982 -7.038 -5.843 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.718 -7.954 -8.141 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.448 -7.361 -4.091 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.208 -8.387 -3.088 1.00 0.00 C ATOM 1182 C PHE A 582 -2.333 -9.482 -3.686 1.00 0.00 C ATOM 1183 O PHE A 582 -2.594 -9.943 -4.800 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.557 -8.947 -2.621 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.489 -7.981 -1.900 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.072 -6.708 -1.461 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.785 -8.419 -1.578 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.928 -5.924 -0.668 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.634 -7.648 -0.772 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.197 -6.402 -0.313 1.00 0.00 C ATOM 0 H PHE A 582 -4.186 -7.617 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.687 -7.968 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.082 -9.339 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.364 -9.791 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.096 -6.335 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.133 -9.368 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.607 -4.950 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.616 -8.013 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.840 -5.805 0.318 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.294 -9.898 -2.963 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.275 -10.825 -3.449 1.00 0.00 C ATOM 1202 C TYR A 583 0.183 -11.762 -2.331 1.00 0.00 C ATOM 1203 O TYR A 583 -0.070 -11.530 -1.143 1.00 0.00 O ATOM 1204 CB TYR A 583 0.913 -10.027 -4.011 1.00 0.00 C ATOM 1205 CG TYR A 583 1.506 -9.047 -3.016 1.00 0.00 C ATOM 1206 CD1 TYR A 583 2.508 -9.455 -2.118 1.00 0.00 C ATOM 1207 CD2 TYR A 583 0.999 -7.738 -2.946 1.00 0.00 C ATOM 1208 CE1 TYR A 583 3.007 -8.555 -1.160 1.00 0.00 C ATOM 1209 CE2 TYR A 583 1.483 -6.836 -1.989 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.479 -7.247 -1.080 1.00 0.00 C ATOM 1211 OH TYR A 583 2.895 -6.403 -0.100 1.00 0.00 O ATOM 0 H TYR A 583 -1.135 -9.593 -2.003 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.701 -11.439 -4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.689 -10.722 -4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.588 -9.482 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.895 -10.462 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 583 0.230 -7.425 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 583 3.793 -8.863 -0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 583 1.094 -5.829 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 583 2.116 -6.012 0.348 1.00 0.00 H new ATOM 1221 N THR A 584 0.869 -12.826 -2.727 1.00 0.00 N ATOM 1222 CA THR A 584 1.304 -13.931 -1.895 1.00 0.00 C ATOM 1223 C THR A 584 2.560 -13.557 -1.102 1.00 0.00 C ATOM 1224 O THR A 584 3.620 -13.316 -1.677 1.00 0.00 O ATOM 1225 CB THR A 584 1.488 -15.176 -2.799 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.641 -14.877 -4.181 1.00 0.00 O ATOM 1227 CG2 THR A 584 0.215 -16.026 -2.715 1.00 0.00 C ATOM 0 H THR A 584 1.152 -12.944 -3.700 1.00 0.00 H new ATOM 0 HA THR A 584 0.552 -14.170 -1.142 1.00 0.00 H new ATOM 0 HB THR A 584 2.392 -15.669 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 584 2.517 -14.464 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 584 0.325 -16.908 -3.345 1.00 0.00 H new ATOM 0 HG22 THR A 584 0.052 -16.335 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.638 -15.439 -3.057 1.00 0.00 H new ATOM 1235 N SER A 585 2.490 -13.519 0.236 1.00 0.00 N ATOM 1236 CA SER A 585 3.672 -13.283 1.070 1.00 0.00 C ATOM 1237 C SER A 585 4.764 -14.331 0.870 1.00 0.00 C ATOM 1238 O SER A 585 5.950 -14.039 1.010 1.00 0.00 O ATOM 1239 CB SER A 585 3.284 -13.259 2.544 1.00 0.00 C ATOM 1240 OG SER A 585 2.480 -14.375 2.903 1.00 0.00 O ATOM 0 H SER A 585 1.626 -13.649 0.762 1.00 0.00 H new ATOM 0 HA SER A 585 4.073 -12.318 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 585 4.186 -13.251 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.743 -12.338 2.761 1.00 0.00 H new ATOM 0 HG SER A 585 2.387 -14.411 3.878 1.00 0.00 H new ATOM 1246 N LYS A 586 4.346 -15.552 0.544 1.00 0.00 N ATOM 1247 CA LYS A 586 5.211 -16.688 0.296 1.00 0.00 C ATOM 1248 C LYS A 586 6.033 -16.523 -0.986 1.00 0.00 C ATOM 1249 O LYS A 586 6.944 -17.324 -1.191 1.00 0.00 O ATOM 1250 CB LYS A 586 4.338 -17.953 0.287 1.00 0.00 C ATOM 1251 CG LYS A 586 3.926 -18.350 1.719 1.00 0.00 C ATOM 1252 CD LYS A 586 2.804 -19.396 1.717 1.00 0.00 C ATOM 1253 CE LYS A 586 2.610 -20.050 3.093 1.00 0.00 C ATOM 1254 NZ LYS A 586 2.210 -19.123 4.175 1.00 0.00 N ATOM 0 H LYS A 586 3.357 -15.779 0.443 1.00 0.00 H new ATOM 0 HA LYS A 586 5.954 -16.769 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.447 -17.780 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.885 -18.773 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 586 4.792 -18.746 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 586 3.597 -17.464 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 586 1.872 -18.924 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 586 3.031 -20.167 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 586 1.853 -20.830 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 586 3.540 -20.540 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 2.103 -19.652 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 2.940 -18.392 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 1.305 -18.672 3.929 1.00 0.00 H new ATOM 1268 N GLU A 587 5.781 -15.507 -1.822 1.00 0.00 N ATOM 1269 CA GLU A 587 6.716 -15.163 -2.892 1.00 0.00 C ATOM 1270 C GLU A 587 7.680 -14.050 -2.423 1.00 0.00 C ATOM 1271 O GLU A 587 7.382 -13.310 -1.476 1.00 0.00 O ATOM 1272 CB GLU A 587 5.968 -14.847 -4.201 1.00 0.00 C ATOM 1273 CG GLU A 587 5.643 -13.367 -4.412 1.00 0.00 C ATOM 1274 CD GLU A 587 4.446 -13.182 -5.353 1.00 0.00 C ATOM 1275 OE1 GLU A 587 4.646 -13.192 -6.591 1.00 0.00 O ATOM 1276 OE2 GLU A 587 3.309 -12.996 -4.866 1.00 0.00 O ATOM 0 H GLU A 587 4.949 -14.919 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 587 7.342 -16.025 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 587 6.570 -15.196 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 587 5.038 -15.415 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.427 -12.900 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.514 -12.858 -4.825 1.00 0.00 H new ATOM 1283 N PRO A 588 8.847 -13.904 -3.067 1.00 0.00 N ATOM 1284 CA PRO A 588 9.877 -12.978 -2.645 1.00 0.00 C ATOM 1285 C PRO A 588 9.512 -11.547 -3.022 1.00 0.00 C ATOM 1286 O PRO A 588 8.705 -11.275 -3.913 1.00 0.00 O ATOM 1287 CB PRO A 588 11.168 -13.437 -3.326 1.00 0.00 C ATOM 1288 CG PRO A 588 10.729 -14.303 -4.502 1.00 0.00 C ATOM 1289 CD PRO A 588 9.273 -14.677 -4.209 1.00 0.00 C ATOM 0 HA PRO A 588 9.995 -12.977 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.756 -12.584 -3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.795 -14.002 -2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.814 -13.760 -5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 588 11.353 -15.192 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.642 -14.465 -5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 588 9.185 -15.744 -4.004 1.00 0.00 H new ATOM 1297 N VAL A 589 10.182 -10.617 -2.358 1.00 0.00 N ATOM 1298 CA VAL A 589 10.019 -9.186 -2.566 1.00 0.00 C ATOM 1299 C VAL A 589 10.498 -8.843 -3.985 1.00 0.00 C ATOM 1300 O VAL A 589 9.847 -8.071 -4.685 1.00 0.00 O ATOM 1301 CB VAL A 589 10.791 -8.436 -1.447 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.554 -6.921 -1.450 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.391 -8.947 -0.053 1.00 0.00 C ATOM 0 H VAL A 589 10.872 -10.843 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 589 8.977 -8.873 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 589 11.842 -8.635 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 589 11.124 -6.462 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.876 -6.504 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.493 -6.718 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.949 -8.402 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.323 -8.791 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.617 -10.011 0.023 1.00 0.00 H new ATOM 1313 N ALA A 590 11.563 -9.495 -4.463 1.00 0.00 N ATOM 1314 CA ALA A 590 12.026 -9.322 -5.834 1.00 0.00 C ATOM 1315 C ALA A 590 10.981 -9.765 -6.868 1.00 0.00 C ATOM 1316 O ALA A 590 10.958 -9.206 -7.967 1.00 0.00 O ATOM 1317 CB ALA A 590 13.331 -10.093 -6.039 1.00 0.00 C ATOM 0 H ALA A 590 12.120 -10.150 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 590 12.196 -8.257 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.674 -9.961 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 590 14.088 -9.716 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.162 -11.152 -5.846 1.00 0.00 H new ATOM 1323 N SER A 591 10.126 -10.748 -6.558 1.00 0.00 N ATOM 1324 CA SER A 591 9.090 -11.184 -7.475 1.00 0.00 C ATOM 1325 C SER A 591 7.976 -10.145 -7.548 1.00 0.00 C ATOM 1326 O SER A 591 7.678 -9.653 -8.635 1.00 0.00 O ATOM 1327 CB SER A 591 8.568 -12.536 -7.009 1.00 0.00 C ATOM 1328 OG SER A 591 9.415 -13.556 -7.499 1.00 0.00 O ATOM 0 H SER A 591 10.140 -11.253 -5.672 1.00 0.00 H new ATOM 0 HA SER A 591 9.496 -11.290 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.531 -12.569 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.550 -12.689 -7.367 1.00 0.00 H new ATOM 0 HG SER A 591 9.083 -14.428 -7.200 1.00 0.00 H new ATOM 1334 N ILE A 592 7.368 -9.773 -6.413 1.00 0.00 N ATOM 1335 CA ILE A 592 6.223 -8.859 -6.429 1.00 0.00 C ATOM 1336 C ILE A 592 6.603 -7.513 -7.053 1.00 0.00 C ATOM 1337 O ILE A 592 5.797 -6.895 -7.746 1.00 0.00 O ATOM 1338 CB ILE A 592 5.602 -8.701 -5.028 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.477 -7.919 -4.039 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.324 -10.066 -4.406 1.00 0.00 C ATOM 1341 CD1 ILE A 592 6.047 -6.450 -3.940 1.00 0.00 C ATOM 0 H ILE A 592 7.647 -10.088 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 592 5.451 -9.299 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 592 4.685 -8.136 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.417 -8.383 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.519 -7.973 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.886 -9.933 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.630 -10.620 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.257 -10.622 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.690 -5.930 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.132 -5.979 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 592 5.013 -6.396 -3.600 1.00 0.00 H new ATOM 1353 N ILE A 593 7.848 -7.076 -6.854 1.00 0.00 N ATOM 1354 CA ILE A 593 8.384 -5.892 -7.493 1.00 0.00 C ATOM 1355 C ILE A 593 8.337 -6.059 -9.010 1.00 0.00 C ATOM 1356 O ILE A 593 7.745 -5.215 -9.677 1.00 0.00 O ATOM 1357 CB ILE A 593 9.789 -5.600 -6.922 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.616 -4.959 -5.526 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.548 -4.676 -7.879 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.930 -4.790 -4.765 1.00 0.00 C ATOM 0 H ILE A 593 8.512 -7.545 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 593 7.778 -5.013 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 593 10.371 -6.516 -6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.143 -3.984 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.939 -5.575 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.540 -4.470 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.645 -5.159 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.001 -3.740 -7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.732 -4.335 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.395 -5.765 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.602 -4.149 -5.337 1.00 0.00 H new ATOM 1372 N THR A 594 8.937 -7.114 -9.564 1.00 0.00 N ATOM 1373 CA THR A 594 8.928 -7.405 -10.999 1.00 0.00 C ATOM 1374 C THR A 594 7.513 -7.453 -11.588 1.00 0.00 C ATOM 1375 O THR A 594 7.299 -7.118 -12.751 1.00 0.00 O ATOM 1376 CB THR A 594 9.714 -8.704 -11.219 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.997 -8.356 -11.695 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.042 -9.708 -12.156 1.00 0.00 C ATOM 0 H THR A 594 9.453 -7.804 -9.017 1.00 0.00 H new ATOM 0 HA THR A 594 9.412 -6.592 -11.541 1.00 0.00 H new ATOM 0 HB THR A 594 9.765 -9.222 -10.261 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.523 -9.170 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.670 -10.594 -12.251 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.072 -9.993 -11.749 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.904 -9.254 -13.137 1.00 0.00 H new ATOM 1386 N LYS A 595 6.556 -7.858 -10.771 1.00 0.00 N ATOM 1387 CA LYS A 595 5.133 -7.948 -11.089 1.00 0.00 C ATOM 1388 C LYS A 595 4.666 -6.512 -11.297 1.00 0.00 C ATOM 1389 O LYS A 595 4.321 -6.104 -12.400 1.00 0.00 O ATOM 1390 CB LYS A 595 4.416 -8.687 -9.936 1.00 0.00 C ATOM 1391 CG LYS A 595 3.690 -9.993 -10.301 1.00 0.00 C ATOM 1392 CD LYS A 595 3.235 -10.700 -9.008 1.00 0.00 C ATOM 1393 CE LYS A 595 2.577 -12.058 -9.277 1.00 0.00 C ATOM 1394 NZ LYS A 595 2.268 -12.775 -8.016 1.00 0.00 N ATOM 0 H LYS A 595 6.757 -8.150 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 595 4.911 -8.520 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.153 -8.911 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.689 -8.005 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 595 2.829 -9.780 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 595 4.352 -10.644 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 595 4.095 -10.841 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.532 -10.059 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 595 1.660 -11.912 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 595 3.239 -12.669 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 1.748 -13.650 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 3.154 -13.011 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 1.685 -12.168 -7.405 1.00 0.00 H new ATOM 1408 N LEU A 596 4.829 -5.684 -10.266 1.00 0.00 N ATOM 1409 CA LEU A 596 4.502 -4.264 -10.279 1.00 0.00 C ATOM 1410 C LEU A 596 5.261 -3.446 -11.324 1.00 0.00 C ATOM 1411 O LEU A 596 4.868 -2.322 -11.614 1.00 0.00 O ATOM 1412 CB LEU A 596 4.712 -3.678 -8.894 1.00 0.00 C ATOM 1413 CG LEU A 596 3.709 -4.252 -7.883 1.00 0.00 C ATOM 1414 CD1 LEU A 596 4.169 -3.753 -6.535 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.269 -3.793 -8.134 1.00 0.00 C ATOM 0 H LEU A 596 5.205 -5.996 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 596 3.453 -4.199 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 596 5.728 -3.887 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.607 -2.594 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 596 3.689 -5.339 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 596 3.498 -4.125 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 596 5.180 -4.110 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.162 -2.663 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 596 1.611 -4.234 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.217 -2.706 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 596 1.953 -4.112 -9.127 1.00 0.00 H new ATOM 1427 N ASN A 597 6.312 -3.984 -11.937 1.00 0.00 N ATOM 1428 CA ASN A 597 6.928 -3.354 -13.110 1.00 0.00 C ATOM 1429 C ASN A 597 5.942 -3.210 -14.266 1.00 0.00 C ATOM 1430 O ASN A 597 6.141 -2.340 -15.114 1.00 0.00 O ATOM 1431 CB ASN A 597 8.063 -4.188 -13.709 1.00 0.00 C ATOM 1432 CG ASN A 597 9.274 -4.466 -12.859 1.00 0.00 C ATOM 1433 OD1 ASN A 597 10.226 -5.080 -13.323 1.00 0.00 O ATOM 1434 ND2 ASN A 597 9.298 -4.068 -11.603 1.00 0.00 N ATOM 0 H ASN A 597 6.757 -4.854 -11.644 1.00 0.00 H new ATOM 0 HA ASN A 597 7.281 -2.396 -12.730 1.00 0.00 H new ATOM 0 HB2 ASN A 597 7.645 -5.147 -14.014 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.402 -3.685 -14.615 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.109 -4.272 -11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 597 8.506 -3.556 -11.215 1.00 0.00 H new ATOM 1441 N SER A 598 4.948 -4.095 -14.389 1.00 0.00 N ATOM 1442 CA SER A 598 4.055 -4.073 -15.530 1.00 0.00 C ATOM 1443 C SER A 598 3.069 -2.910 -15.424 1.00 0.00 C ATOM 1444 O SER A 598 2.572 -2.420 -16.437 1.00 0.00 O ATOM 1445 CB SER A 598 3.339 -5.417 -15.551 1.00 0.00 C ATOM 1446 OG SER A 598 3.867 -6.246 -16.569 1.00 0.00 O ATOM 0 H SER A 598 4.749 -4.830 -13.710 1.00 0.00 H new ATOM 0 HA SER A 598 4.605 -3.922 -16.459 1.00 0.00 H new ATOM 0 HB2 SER A 598 3.446 -5.907 -14.583 1.00 0.00 H new ATOM 0 HB3 SER A 598 2.272 -5.265 -15.715 1.00 0.00 H new ATOM 0 HG SER A 598 3.397 -7.106 -16.567 1.00 0.00 H new ATOM 1452 N LEU A 599 2.794 -2.480 -14.196 1.00 0.00 N ATOM 1453 CA LEU A 599 1.768 -1.547 -13.798 1.00 0.00 C ATOM 1454 C LEU A 599 2.075 -0.202 -14.419 1.00 0.00 C ATOM 1455 O LEU A 599 1.276 0.321 -15.186 1.00 0.00 O ATOM 1456 CB LEU A 599 1.771 -1.451 -12.279 1.00 0.00 C ATOM 1457 CG LEU A 599 1.138 -2.656 -11.580 1.00 0.00 C ATOM 1458 CD1 LEU A 599 -0.379 -2.520 -11.500 1.00 0.00 C ATOM 1459 CD2 LEU A 599 1.445 -4.066 -12.074 1.00 0.00 C ATOM 0 H LEU A 599 3.333 -2.808 -13.395 1.00 0.00 H new ATOM 0 HA LEU A 599 0.784 -1.875 -14.133 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.799 -1.342 -11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 599 1.237 -0.549 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 599 1.641 -2.593 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 599 -0.797 -3.393 -10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.635 -1.621 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.791 -2.449 -12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.910 -4.791 -11.461 1.00 0.00 H new ATOM 0 HD22 LEU A 599 1.128 -4.165 -13.112 1.00 0.00 H new ATOM 0 HD23 LEU A 599 2.517 -4.251 -12.003 1.00 0.00 H new ATOM 1471 N ASN A 600 3.247 0.339 -14.061 1.00 0.00 N ATOM 1472 CA ASN A 600 3.635 1.731 -14.297 1.00 0.00 C ATOM 1473 C ASN A 600 2.549 2.675 -13.773 1.00 0.00 C ATOM 1474 O ASN A 600 2.334 3.776 -14.292 1.00 0.00 O ATOM 1475 CB ASN A 600 4.054 1.942 -15.762 1.00 0.00 C ATOM 1476 CG ASN A 600 5.171 0.961 -16.093 1.00 0.00 C ATOM 1477 OD1 ASN A 600 6.320 1.184 -15.735 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.833 -0.209 -16.613 1.00 0.00 N ATOM 0 H ASN A 600 3.971 -0.198 -13.585 1.00 0.00 H new ATOM 0 HA ASN A 600 4.528 1.982 -13.725 1.00 0.00 H new ATOM 0 HB2 ASN A 600 3.203 1.785 -16.425 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.393 2.967 -15.915 1.00 0.00 H new ATOM 0 HD21 ASN A 600 5.535 -0.941 -16.720 1.00 0.00 H new ATOM 0 HD22 ASN A 600 3.871 -0.378 -16.906 1.00 0.00 H new ATOM 1485 N GLU A 601 1.850 2.210 -12.736 1.00 0.00 N ATOM 1486 CA GLU A 601 0.826 2.923 -12.017 1.00 0.00 C ATOM 1487 C GLU A 601 1.490 3.611 -10.825 1.00 0.00 C ATOM 1488 O GLU A 601 2.416 3.044 -10.237 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.247 1.952 -11.503 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.993 1.212 -12.624 1.00 0.00 C ATOM 1491 CD GLU A 601 -2.476 1.096 -12.291 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -3.227 2.059 -12.587 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.870 0.091 -11.668 1.00 0.00 O ATOM 0 H GLU A 601 2.002 1.272 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 601 0.348 3.648 -12.676 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.222 1.220 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.968 2.505 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.866 1.745 -13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -0.566 0.218 -12.759 1.00 0.00 H new ATOM 1500 N PRO A 602 1.009 4.796 -10.432 1.00 0.00 N ATOM 1501 CA PRO A 602 1.440 5.468 -9.221 1.00 0.00 C ATOM 1502 C PRO A 602 0.890 4.721 -8.004 1.00 0.00 C ATOM 1503 O PRO A 602 -0.329 4.614 -7.831 1.00 0.00 O ATOM 1504 CB PRO A 602 0.909 6.893 -9.346 1.00 0.00 C ATOM 1505 CG PRO A 602 -0.314 6.767 -10.255 1.00 0.00 C ATOM 1506 CD PRO A 602 -0.039 5.539 -11.112 1.00 0.00 C ATOM 0 HA PRO A 602 2.522 5.487 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.640 7.303 -8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.657 7.559 -9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -1.228 6.646 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 602 -0.443 7.658 -10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.938 4.932 -11.222 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.276 5.827 -12.115 1.00 0.00 H new ATOM 1514 N LEU A 603 1.784 4.188 -7.170 1.00 0.00 N ATOM 1515 CA LEU A 603 1.408 3.400 -6.001 1.00 0.00 C ATOM 1516 C LEU A 603 1.358 4.265 -4.738 1.00 0.00 C ATOM 1517 O LEU A 603 1.956 5.345 -4.657 1.00 0.00 O ATOM 1518 CB LEU A 603 2.389 2.239 -5.743 1.00 0.00 C ATOM 1519 CG LEU A 603 2.815 1.361 -6.932 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.742 0.273 -6.379 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.631 0.708 -7.645 1.00 0.00 C ATOM 0 H LEU A 603 2.792 4.292 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 603 0.419 2.996 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.292 2.660 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.941 1.587 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 603 3.310 1.989 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.069 -0.375 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.611 0.738 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.206 -0.319 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.995 0.102 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.088 0.075 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.964 1.481 -8.026 1.00 0.00 H new ATOM 1533 N VAL A 604 0.752 3.721 -3.686 1.00 0.00 N ATOM 1534 CA VAL A 604 0.872 4.197 -2.318 1.00 0.00 C ATOM 1535 C VAL A 604 0.870 2.979 -1.393 1.00 0.00 C ATOM 1536 O VAL A 604 -0.049 2.155 -1.396 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.210 5.257 -2.020 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.613 4.788 -2.407 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.208 5.693 -0.549 1.00 0.00 C ATOM 0 H VAL A 604 0.143 2.907 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 604 1.812 4.721 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 604 0.050 6.115 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.335 5.571 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.642 4.571 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.863 3.887 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.986 6.439 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.398 4.828 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.762 6.121 -0.298 1.00 0.00 H new ATOM 1549 N THR A 605 1.958 2.801 -0.653 1.00 0.00 N ATOM 1550 CA THR A 605 2.132 1.653 0.222 1.00 0.00 C ATOM 1551 C THR A 605 3.153 1.920 1.322 1.00 0.00 C ATOM 1552 O THR A 605 3.613 3.039 1.513 1.00 0.00 O ATOM 1553 CB THR A 605 2.456 0.432 -0.656 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.436 -0.782 0.061 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.747 0.576 -1.468 1.00 0.00 C ATOM 0 H THR A 605 2.744 3.451 -0.644 1.00 0.00 H new ATOM 0 HA THR A 605 1.211 1.446 0.768 1.00 0.00 H new ATOM 0 HB THR A 605 1.642 0.397 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.636 -1.293 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.906 -0.325 -2.061 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.666 1.437 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.589 0.718 -0.791 1.00 0.00 H new ATOM 1563 N MET A 606 3.448 0.892 2.103 1.00 0.00 N ATOM 1564 CA MET A 606 4.540 0.824 3.064 1.00 0.00 C ATOM 1565 C MET A 606 5.755 0.173 2.370 1.00 0.00 C ATOM 1566 O MET A 606 5.652 -0.176 1.191 1.00 0.00 O ATOM 1567 CB MET A 606 4.057 0.054 4.301 1.00 0.00 C ATOM 1568 CG MET A 606 2.598 0.366 4.630 1.00 0.00 C ATOM 1569 SD MET A 606 1.402 -0.809 3.934 1.00 0.00 S ATOM 1570 CE MET A 606 -0.111 0.150 4.169 1.00 0.00 C ATOM 0 H MET A 606 2.900 0.032 2.082 1.00 0.00 H new ATOM 0 HA MET A 606 4.852 1.811 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.170 -1.017 4.130 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.685 0.308 5.155 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.479 0.387 5.713 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.362 1.365 4.264 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.970 -0.521 4.174 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.061 0.682 5.119 1.00 0.00 H new ATOM 0 HE3 MET A 606 -0.217 0.868 3.356 1.00 0.00 H new ATOM 1580 N PRO A 607 6.912 -0.026 3.031 1.00 0.00 N ATOM 1581 CA PRO A 607 8.059 -0.698 2.419 1.00 0.00 C ATOM 1582 C PRO A 607 7.876 -2.221 2.214 1.00 0.00 C ATOM 1583 O PRO A 607 8.791 -2.993 2.475 1.00 0.00 O ATOM 1584 CB PRO A 607 9.278 -0.309 3.271 1.00 0.00 C ATOM 1585 CG PRO A 607 8.746 0.312 4.558 1.00 0.00 C ATOM 1586 CD PRO A 607 7.257 0.541 4.327 1.00 0.00 C ATOM 0 HA PRO A 607 8.193 -0.365 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.890 -1.184 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.912 0.398 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.912 -0.349 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.256 1.250 4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.672 0.071 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.027 1.606 4.351 1.00 0.00 H new ATOM 1594 N ILE A 608 6.716 -2.661 1.712 1.00 0.00 N ATOM 1595 CA ILE A 608 6.285 -4.023 1.399 1.00 0.00 C ATOM 1596 C ILE A 608 6.940 -5.076 2.306 1.00 0.00 C ATOM 1597 O ILE A 608 6.435 -5.337 3.403 1.00 0.00 O ATOM 1598 CB ILE A 608 6.448 -4.299 -0.117 1.00 0.00 C ATOM 1599 CG1 ILE A 608 5.687 -3.280 -0.996 1.00 0.00 C ATOM 1600 CG2 ILE A 608 6.047 -5.751 -0.457 1.00 0.00 C ATOM 1601 CD1 ILE A 608 4.158 -3.375 -0.951 1.00 0.00 C ATOM 0 H ILE A 608 5.976 -1.994 1.492 1.00 0.00 H new ATOM 0 HA ILE A 608 5.222 -4.110 1.623 1.00 0.00 H new ATOM 0 HB ILE A 608 7.505 -4.172 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 608 5.979 -2.275 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 608 6.010 -3.406 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 608 6.170 -5.921 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.682 -6.443 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 608 5.005 -5.915 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.727 -2.615 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 608 3.845 -4.363 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.813 -3.214 0.071 1.00 0.00 H new ATOM 1613 N GLY A 609 8.047 -5.674 1.858 1.00 0.00 N ATOM 1614 CA GLY A 609 8.866 -6.597 2.609 1.00 0.00 C ATOM 1615 C GLY A 609 9.646 -5.808 3.638 1.00 0.00 C ATOM 1616 O GLY A 609 10.816 -5.548 3.448 1.00 0.00 O ATOM 0 H GLY A 609 8.404 -5.512 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.244 -7.347 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.545 -7.130 1.944 1.00 0.00 H new ATOM 1620 N TYR A 610 8.990 -5.417 4.717 1.00 0.00 N ATOM 1621 CA TYR A 610 9.554 -4.710 5.855 1.00 0.00 C ATOM 1622 C TYR A 610 9.241 -5.420 7.166 1.00 0.00 C ATOM 1623 O TYR A 610 10.023 -5.314 8.102 1.00 0.00 O ATOM 1624 CB TYR A 610 9.008 -3.277 5.843 1.00 0.00 C ATOM 1625 CG TYR A 610 9.309 -2.461 7.080 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.641 -2.212 7.459 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.251 -1.964 7.861 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.917 -1.474 8.622 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.523 -1.241 9.032 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.856 -0.979 9.412 1.00 0.00 C ATOM 1631 OH TYR A 610 10.098 -0.243 10.529 1.00 0.00 O ATOM 0 H TYR A 610 7.992 -5.595 4.829 1.00 0.00 H new ATOM 0 HA TYR A 610 10.641 -4.689 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.417 -2.757 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.927 -3.319 5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.453 -2.589 6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.229 -2.139 7.559 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.940 -1.285 8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.709 -0.884 9.645 1.00 0.00 H new ATOM 0 HH TYR A 610 9.247 0.012 10.943 1.00 0.00 H new ATOM 1641 N VAL A 611 8.135 -6.161 7.233 1.00 0.00 N ATOM 1642 CA VAL A 611 7.646 -6.783 8.463 1.00 0.00 C ATOM 1643 C VAL A 611 7.116 -8.182 8.148 1.00 0.00 C ATOM 1644 O VAL A 611 7.662 -9.168 8.623 1.00 0.00 O ATOM 1645 CB VAL A 611 6.652 -5.880 9.224 1.00 0.00 C ATOM 1646 CG1 VAL A 611 7.372 -4.872 10.136 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.762 -5.087 8.268 1.00 0.00 C ATOM 0 H VAL A 611 7.545 -6.349 6.422 1.00 0.00 H new ATOM 0 HA VAL A 611 8.474 -6.903 9.162 1.00 0.00 H new ATOM 0 HB VAL A 611 6.045 -6.555 9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.635 -4.257 10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 611 7.973 -5.410 10.869 1.00 0.00 H new ATOM 0 HG13 VAL A 611 8.019 -4.234 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 611 5.076 -4.464 8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 611 6.383 -4.454 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 611 5.191 -5.776 7.646 1.00 0.00 H new ATOM 1657 N THR A 612 6.142 -8.287 7.239 1.00 0.00 N ATOM 1658 CA THR A 612 5.546 -9.541 6.765 1.00 0.00 C ATOM 1659 C THR A 612 6.599 -10.593 6.389 1.00 0.00 C ATOM 1660 O THR A 612 6.356 -11.780 6.581 1.00 0.00 O ATOM 1661 CB THR A 612 4.562 -9.260 5.595 1.00 0.00 C ATOM 1662 OG1 THR A 612 4.593 -10.287 4.624 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.844 -7.966 4.812 1.00 0.00 C ATOM 0 H THR A 612 5.730 -7.467 6.794 1.00 0.00 H new ATOM 0 HA THR A 612 4.982 -9.971 7.593 1.00 0.00 H new ATOM 0 HB THR A 612 3.601 -9.184 6.103 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.936 -10.976 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.107 -7.854 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 612 4.782 -7.112 5.486 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.843 -8.014 4.378 1.00 0.00 H new ATOM 1671 N HIS A 613 7.727 -10.178 5.801 1.00 0.00 N ATOM 1672 CA HIS A 613 8.758 -11.085 5.298 1.00 0.00 C ATOM 1673 C HIS A 613 9.923 -11.231 6.289 1.00 0.00 C ATOM 1674 O HIS A 613 10.979 -11.711 5.884 1.00 0.00 O ATOM 1675 CB HIS A 613 9.232 -10.631 3.904 1.00 0.00 C ATOM 1676 CG HIS A 613 8.229 -10.831 2.785 1.00 0.00 C ATOM 1677 ND1 HIS A 613 6.868 -10.551 2.810 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.523 -11.381 1.563 1.00 0.00 C ATOM 1679 CE1 HIS A 613 6.374 -10.881 1.604 1.00 0.00 C ATOM 1680 NE2 HIS A 613 7.346 -11.418 0.842 1.00 0.00 N ATOM 0 H HIS A 613 7.949 -9.192 5.661 1.00 0.00 H new ATOM 0 HA HIS A 613 8.321 -12.078 5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 613 9.492 -9.574 3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.144 -11.172 3.654 1.00 0.00 H new ATOM 0 HD1 HIS A 613 6.343 -10.167 3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 613 9.492 -11.721 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 613 5.350 -10.737 1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 613 7.233 -11.787 -0.102 1.00 0.00 H new ATOM 1689 N GLY A 614 9.796 -10.750 7.529 1.00 0.00 N ATOM 1690 CA GLY A 614 10.894 -10.738 8.488 1.00 0.00 C ATOM 1691 C GLY A 614 12.086 -9.908 8.009 1.00 0.00 C ATOM 1692 O GLY A 614 13.221 -10.230 8.344 1.00 0.00 O ATOM 0 H GLY A 614 8.927 -10.359 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.537 -10.340 9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 614 11.220 -11.761 8.674 1.00 0.00 H new ATOM 1696 N PHE A 615 11.849 -8.885 7.178 1.00 0.00 N ATOM 1697 CA PHE A 615 12.893 -7.948 6.776 1.00 0.00 C ATOM 1698 C PHE A 615 13.053 -6.891 7.878 1.00 0.00 C ATOM 1699 O PHE A 615 12.388 -6.913 8.915 1.00 0.00 O ATOM 1700 CB PHE A 615 12.564 -7.331 5.395 1.00 0.00 C ATOM 1701 CG PHE A 615 12.930 -8.127 4.142 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.217 -9.507 4.174 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.047 -7.446 2.913 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.661 -10.169 3.012 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.473 -8.107 1.753 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.799 -9.468 1.800 1.00 0.00 C ATOM 0 H PHE A 615 10.935 -8.689 6.771 1.00 0.00 H new ATOM 0 HA PHE A 615 13.846 -8.463 6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.492 -7.136 5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.065 -6.365 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.096 -10.060 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.804 -6.395 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.897 -11.222 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.550 -7.566 0.821 1.00 0.00 H new ATOM 0 HZ PHE A 615 14.153 -9.975 0.914 1.00 0.00 H new ATOM 1716 N ASN A 616 13.939 -5.932 7.632 1.00 0.00 N ATOM 1717 CA ASN A 616 14.193 -4.746 8.442 1.00 0.00 C ATOM 1718 C ASN A 616 14.145 -3.553 7.515 1.00 0.00 C ATOM 1719 O ASN A 616 14.109 -3.738 6.298 1.00 0.00 O ATOM 1720 CB ASN A 616 15.594 -4.833 9.046 1.00 0.00 C ATOM 1721 CG ASN A 616 15.673 -6.007 9.998 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.162 -5.915 11.111 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.236 -7.109 9.550 1.00 0.00 N ATOM 0 H ASN A 616 14.538 -5.965 6.807 1.00 0.00 H new ATOM 0 HA ASN A 616 13.458 -4.662 9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.334 -4.945 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 616 15.830 -3.909 9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 616 16.263 -7.943 10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 616 16.646 -7.129 8.616 1.00 0.00 H new ATOM 1730 N LEU A 617 14.225 -2.335 8.060 1.00 0.00 N ATOM 1731 CA LEU A 617 14.213 -1.125 7.240 1.00 0.00 C ATOM 1732 C LEU A 617 15.304 -1.218 6.172 1.00 0.00 C ATOM 1733 O LEU A 617 15.032 -0.986 5.002 1.00 0.00 O ATOM 1734 CB LEU A 617 14.355 0.156 8.104 1.00 0.00 C ATOM 1735 CG LEU A 617 13.722 1.407 7.443 1.00 0.00 C ATOM 1736 CD1 LEU A 617 14.355 1.653 6.094 1.00 0.00 C ATOM 1737 CD2 LEU A 617 12.190 1.357 7.459 1.00 0.00 C ATOM 0 H LEU A 617 14.298 -2.164 9.063 1.00 0.00 H new ATOM 0 HA LEU A 617 13.247 -1.050 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.886 -0.013 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.412 0.346 8.291 1.00 0.00 H new ATOM 0 HG LEU A 617 13.947 2.291 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 617 13.905 2.534 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 617 15.426 1.816 6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 617 14.192 0.787 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 617 11.792 2.254 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 617 11.849 0.477 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 617 11.838 1.304 8.489 1.00 0.00 H new ATOM 1749 N GLU A 618 16.516 -1.597 6.569 1.00 0.00 N ATOM 1750 CA GLU A 618 17.722 -1.501 5.740 1.00 0.00 C ATOM 1751 C GLU A 618 17.514 -2.316 4.461 1.00 0.00 C ATOM 1752 O GLU A 618 17.773 -1.870 3.344 1.00 0.00 O ATOM 1753 CB GLU A 618 18.914 -2.081 6.517 1.00 0.00 C ATOM 1754 CG GLU A 618 19.102 -1.385 7.866 1.00 0.00 C ATOM 1755 CD GLU A 618 20.070 -2.140 8.760 1.00 0.00 C ATOM 1756 OE1 GLU A 618 19.653 -3.171 9.332 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.247 -1.724 8.856 1.00 0.00 O ATOM 0 H GLU A 618 16.695 -1.988 7.494 1.00 0.00 H new ATOM 0 HA GLU A 618 17.917 -0.459 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.760 -3.148 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.822 -1.975 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.471 -0.372 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 618 18.138 -1.297 8.367 1.00 0.00 H new ATOM 1764 N GLU A 619 17.029 -3.536 4.680 1.00 0.00 N ATOM 1765 CA GLU A 619 16.785 -4.556 3.672 1.00 0.00 C ATOM 1766 C GLU A 619 15.615 -4.152 2.780 1.00 0.00 C ATOM 1767 O GLU A 619 15.716 -4.191 1.553 1.00 0.00 O ATOM 1768 CB GLU A 619 16.479 -5.899 4.349 1.00 0.00 C ATOM 1769 CG GLU A 619 17.591 -6.323 5.320 1.00 0.00 C ATOM 1770 CD GLU A 619 17.375 -7.763 5.762 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.670 -8.661 4.942 1.00 0.00 O ATOM 1772 OE2 GLU A 619 16.847 -7.985 6.880 1.00 0.00 O ATOM 0 H GLU A 619 16.783 -3.853 5.618 1.00 0.00 H new ATOM 0 HA GLU A 619 17.679 -4.658 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.535 -5.825 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.351 -6.668 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.563 -6.224 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.597 -5.664 6.189 1.00 0.00 H new ATOM 1779 N ALA A 620 14.505 -3.770 3.416 1.00 0.00 N ATOM 1780 CA ALA A 620 13.277 -3.345 2.781 1.00 0.00 C ATOM 1781 C ALA A 620 13.510 -2.149 1.868 1.00 0.00 C ATOM 1782 O ALA A 620 13.012 -2.148 0.749 1.00 0.00 O ATOM 1783 CB ALA A 620 12.282 -2.996 3.889 1.00 0.00 C ATOM 0 H ALA A 620 14.446 -3.751 4.434 1.00 0.00 H new ATOM 0 HA ALA A 620 12.886 -4.146 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.342 -2.670 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 620 12.105 -3.875 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.689 -2.194 4.504 1.00 0.00 H new ATOM 1789 N ALA A 621 14.251 -1.138 2.323 1.00 0.00 N ATOM 1790 CA ALA A 621 14.601 0.035 1.540 1.00 0.00 C ATOM 1791 C ALA A 621 15.390 -0.384 0.300 1.00 0.00 C ATOM 1792 O ALA A 621 14.975 -0.027 -0.799 1.00 0.00 O ATOM 1793 CB ALA A 621 15.409 1.011 2.401 1.00 0.00 C ATOM 0 H ALA A 621 14.631 -1.117 3.269 1.00 0.00 H new ATOM 0 HA ALA A 621 13.691 0.538 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.669 1.889 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.813 1.317 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.321 0.523 2.746 1.00 0.00 H new ATOM 1799 N ARG A 622 16.461 -1.182 0.443 1.00 0.00 N ATOM 1800 CA ARG A 622 17.247 -1.659 -0.701 1.00 0.00 C ATOM 1801 C ARG A 622 16.346 -2.323 -1.736 1.00 0.00 C ATOM 1802 O ARG A 622 16.404 -1.994 -2.922 1.00 0.00 O ATOM 1803 CB ARG A 622 18.305 -2.664 -0.259 1.00 0.00 C ATOM 1804 CG ARG A 622 19.454 -2.004 0.498 1.00 0.00 C ATOM 1805 CD ARG A 622 20.175 -3.115 1.244 1.00 0.00 C ATOM 1806 NE ARG A 622 21.437 -2.664 1.846 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.177 -3.346 2.728 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.832 -4.566 3.128 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.281 -2.796 3.205 1.00 0.00 N ATOM 0 H ARG A 622 16.802 -1.511 1.346 1.00 0.00 H new ATOM 0 HA ARG A 622 17.735 -0.790 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.842 -3.420 0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.699 -3.181 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.130 -1.496 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 622 19.080 -1.251 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.523 -3.506 2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 622 20.377 -3.937 0.557 1.00 0.00 H new ATOM 0 HE ARG A 622 21.781 -1.746 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.986 -5.003 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.413 -5.065 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 622 23.559 -1.863 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 622 23.855 -3.305 3.878 1.00 0.00 H new ATOM 1823 N CYS A 623 15.520 -3.266 -1.278 1.00 0.00 N ATOM 1824 CA CYS A 623 14.556 -3.955 -2.114 1.00 0.00 C ATOM 1825 C CYS A 623 13.612 -2.951 -2.770 1.00 0.00 C ATOM 1826 O CYS A 623 13.378 -3.037 -3.965 1.00 0.00 O ATOM 1827 CB CYS A 623 13.801 -4.993 -1.274 1.00 0.00 C ATOM 1828 SG CYS A 623 14.601 -6.608 -1.498 1.00 0.00 S ATOM 0 H CYS A 623 15.508 -3.570 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 623 15.071 -4.482 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.811 -4.708 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.756 -5.042 -1.582 1.00 0.00 H new ATOM 0 HG CYS A 623 13.773 -7.553 -1.162 1.00 0.00 H new ATOM 1834 N MET A 624 13.083 -1.981 -2.036 1.00 0.00 N ATOM 1835 CA MET A 624 12.165 -0.982 -2.565 1.00 0.00 C ATOM 1836 C MET A 624 12.818 -0.122 -3.652 1.00 0.00 C ATOM 1837 O MET A 624 12.169 0.134 -4.663 1.00 0.00 O ATOM 1838 CB MET A 624 11.630 -0.139 -1.410 1.00 0.00 C ATOM 1839 CG MET A 624 10.601 -0.937 -0.592 1.00 0.00 C ATOM 1840 SD MET A 624 8.896 -0.833 -1.184 1.00 0.00 S ATOM 1841 CE MET A 624 8.696 0.953 -0.973 1.00 0.00 C ATOM 0 H MET A 624 13.283 -1.865 -1.042 1.00 0.00 H new ATOM 0 HA MET A 624 11.330 -1.487 -3.050 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.453 0.171 -0.766 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.169 0.769 -1.798 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.902 -1.985 -0.583 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.632 -0.588 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.643 1.185 -0.811 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.277 1.285 -0.113 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.047 1.467 -1.868 1.00 0.00 H new ATOM 1851 N ARG A 625 14.096 0.259 -3.538 1.00 0.00 N ATOM 1852 CA ARG A 625 14.810 0.891 -4.657 1.00 0.00 C ATOM 1853 C ARG A 625 14.962 -0.018 -5.886 1.00 0.00 C ATOM 1854 O ARG A 625 15.385 0.459 -6.941 1.00 0.00 O ATOM 1855 CB ARG A 625 16.200 1.376 -4.233 1.00 0.00 C ATOM 1856 CG ARG A 625 16.190 2.263 -2.987 1.00 0.00 C ATOM 1857 CD ARG A 625 17.456 3.102 -2.924 1.00 0.00 C ATOM 1858 NE ARG A 625 17.282 4.386 -3.627 1.00 0.00 N ATOM 1859 CZ ARG A 625 18.012 4.867 -4.640 1.00 0.00 C ATOM 1860 NH1 ARG A 625 18.920 4.122 -5.265 1.00 0.00 N ATOM 1861 NH2 ARG A 625 17.828 6.122 -5.032 1.00 0.00 N ATOM 0 H ARG A 625 14.653 0.143 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 625 14.185 1.737 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.835 0.510 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 625 16.649 1.929 -5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.315 2.913 -3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.111 1.644 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.721 3.288 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.283 2.550 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 625 16.516 4.977 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 625 19.075 3.156 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 625 19.461 4.516 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 625 17.137 6.707 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 625 18.378 6.501 -5.803 1.00 0.00 H new ATOM 1875 N SER A 626 14.696 -1.322 -5.783 1.00 0.00 N ATOM 1876 CA SER A 626 14.660 -2.214 -6.936 1.00 0.00 C ATOM 1877 C SER A 626 13.349 -2.008 -7.699 1.00 0.00 C ATOM 1878 O SER A 626 13.250 -2.461 -8.840 1.00 0.00 O ATOM 1879 CB SER A 626 14.839 -3.675 -6.480 1.00 0.00 C ATOM 1880 OG SER A 626 15.219 -4.552 -7.531 1.00 0.00 O ATOM 0 H SER A 626 14.500 -1.786 -4.896 1.00 0.00 H new ATOM 0 HA SER A 626 15.483 -1.982 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.594 -3.713 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 626 13.905 -4.028 -6.042 1.00 0.00 H new ATOM 0 HG SER A 626 15.318 -5.461 -7.179 1.00 0.00 H new ATOM 1886 N LEU A 627 12.337 -1.342 -7.124 1.00 0.00 N ATOM 1887 CA LEU A 627 11.065 -1.121 -7.790 1.00 0.00 C ATOM 1888 C LEU A 627 11.236 -0.163 -8.961 1.00 0.00 C ATOM 1889 O LEU A 627 12.201 0.598 -9.036 1.00 0.00 O ATOM 1890 CB LEU A 627 9.987 -0.712 -6.776 1.00 0.00 C ATOM 1891 CG LEU A 627 8.564 -0.597 -7.353 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.964 -1.888 -7.931 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.651 -0.037 -6.258 1.00 0.00 C ATOM 0 H LEU A 627 12.387 -0.946 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 627 10.707 -2.053 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 627 9.977 -1.440 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.265 0.247 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 627 8.639 0.066 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.961 -1.686 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.592 -2.248 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.913 -2.647 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.635 0.054 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.655 -0.710 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.012 0.944 -5.950 1.00 0.00 H new ATOM 1905 N LYS A 628 10.313 -0.310 -9.912 1.00 0.00 N ATOM 1906 CA LYS A 628 10.248 0.264 -11.244 1.00 0.00 C ATOM 1907 C LYS A 628 8.860 0.872 -11.461 1.00 0.00 C ATOM 1908 O LYS A 628 8.292 0.746 -12.542 1.00 0.00 O ATOM 1909 CB LYS A 628 10.559 -0.853 -12.246 1.00 0.00 C ATOM 1910 CG LYS A 628 11.994 -1.348 -12.038 1.00 0.00 C ATOM 1911 CD LYS A 628 12.349 -2.704 -12.613 1.00 0.00 C ATOM 1912 CE LYS A 628 12.421 -3.671 -11.438 1.00 0.00 C ATOM 1913 NZ LYS A 628 12.600 -5.063 -11.893 1.00 0.00 N ATOM 0 H LYS A 628 9.502 -0.904 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 628 10.974 1.065 -11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 628 9.857 -1.677 -12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 628 10.435 -0.486 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.671 -0.611 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.190 -1.374 -10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 628 11.599 -3.027 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.302 -2.664 -13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.248 -3.391 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 628 11.509 -3.595 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 12.594 -5.700 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 11.825 -5.320 -12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 13.508 -5.151 -12.393 1.00 0.00 H new ATOM 1927 N ALA A 629 8.263 1.419 -10.403 1.00 0.00 N ATOM 1928 CA ALA A 629 6.993 2.130 -10.401 1.00 0.00 C ATOM 1929 C ALA A 629 7.072 3.181 -9.283 1.00 0.00 C ATOM 1930 O ALA A 629 7.658 2.883 -8.234 1.00 0.00 O ATOM 1931 CB ALA A 629 5.838 1.148 -10.148 1.00 0.00 C ATOM 0 H ALA A 629 8.680 1.373 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 629 6.807 2.609 -11.362 1.00 0.00 H new ATOM 0 HB1 ALA A 629 4.893 1.690 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 629 5.824 0.393 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 629 5.978 0.663 -9.182 1.00 0.00 H new ATOM 1937 N PRO A 630 6.481 4.377 -9.457 1.00 0.00 N ATOM 1938 CA PRO A 630 6.421 5.370 -8.399 1.00 0.00 C ATOM 1939 C PRO A 630 5.595 4.835 -7.237 1.00 0.00 C ATOM 1940 O PRO A 630 4.594 4.155 -7.442 1.00 0.00 O ATOM 1941 CB PRO A 630 5.772 6.618 -8.998 1.00 0.00 C ATOM 1942 CG PRO A 630 5.274 6.229 -10.389 1.00 0.00 C ATOM 1943 CD PRO A 630 5.741 4.796 -10.634 1.00 0.00 C ATOM 0 HA PRO A 630 7.414 5.605 -8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.947 6.963 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.490 7.436 -9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.188 6.297 -10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.675 6.902 -11.147 1.00 0.00 H new ATOM 0 HD2 PRO A 630 4.889 4.138 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.370 4.743 -11.523 1.00 0.00 H new ATOM 1951 N ALA A 631 5.982 5.172 -6.009 1.00 0.00 N ATOM 1952 CA ALA A 631 5.357 4.643 -4.814 1.00 0.00 C ATOM 1953 C ALA A 631 5.549 5.629 -3.676 1.00 0.00 C ATOM 1954 O ALA A 631 6.686 5.882 -3.273 1.00 0.00 O ATOM 1955 CB ALA A 631 5.979 3.284 -4.463 1.00 0.00 C ATOM 0 H ALA A 631 6.743 5.824 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 631 4.290 4.499 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.507 2.889 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 631 5.825 2.589 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.048 3.407 -4.287 1.00 0.00 H new ATOM 1961 N VAL A 632 4.459 6.181 -3.154 1.00 0.00 N ATOM 1962 CA VAL A 632 4.482 6.716 -1.794 1.00 0.00 C ATOM 1963 C VAL A 632 4.864 5.569 -0.851 1.00 0.00 C ATOM 1964 O VAL A 632 4.422 4.433 -1.059 1.00 0.00 O ATOM 1965 CB VAL A 632 3.122 7.352 -1.443 1.00 0.00 C ATOM 1966 CG1 VAL A 632 2.925 7.590 0.062 1.00 0.00 C ATOM 1967 CG2 VAL A 632 2.977 8.680 -2.187 1.00 0.00 C ATOM 0 H VAL A 632 3.566 6.270 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 632 5.219 7.513 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 632 2.355 6.641 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 632 1.947 8.039 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 632 2.986 6.639 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.702 8.260 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.016 9.132 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.781 9.353 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.030 8.503 -3.261 1.00 0.00 H new ATOM 1977 N VAL A 633 5.656 5.878 0.178 1.00 0.00 N ATOM 1978 CA VAL A 633 6.074 4.949 1.221 1.00 0.00 C ATOM 1979 C VAL A 633 5.590 5.499 2.560 1.00 0.00 C ATOM 1980 O VAL A 633 5.701 6.698 2.806 1.00 0.00 O ATOM 1981 CB VAL A 633 7.591 4.694 1.166 1.00 0.00 C ATOM 1982 CG1 VAL A 633 8.006 3.614 2.180 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.982 4.202 -0.231 1.00 0.00 C ATOM 0 H VAL A 633 6.035 6.816 0.309 1.00 0.00 H new ATOM 0 HA VAL A 633 5.624 3.968 1.072 1.00 0.00 H new ATOM 0 HB VAL A 633 8.094 5.631 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 633 9.082 3.453 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.743 3.940 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.487 2.683 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.057 4.023 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.452 3.276 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.716 4.957 -0.970 1.00 0.00 H new ATOM 1993 N SER A 634 5.086 4.633 3.434 1.00 0.00 N ATOM 1994 CA SER A 634 4.586 4.995 4.749 1.00 0.00 C ATOM 1995 C SER A 634 5.257 4.108 5.793 1.00 0.00 C ATOM 1996 O SER A 634 5.486 2.922 5.557 1.00 0.00 O ATOM 1997 CB SER A 634 3.059 4.881 4.723 1.00 0.00 C ATOM 1998 OG SER A 634 2.459 5.025 5.993 1.00 0.00 O ATOM 0 H SER A 634 5.014 3.635 3.239 1.00 0.00 H new ATOM 0 HA SER A 634 4.828 6.023 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.658 5.641 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.783 3.912 4.308 1.00 0.00 H new ATOM 0 HG SER A 634 1.486 4.944 5.906 1.00 0.00 H new ATOM 2004 N VAL A 635 5.548 4.691 6.951 1.00 0.00 N ATOM 2005 CA VAL A 635 6.234 4.080 8.087 1.00 0.00 C ATOM 2006 C VAL A 635 5.385 4.264 9.346 1.00 0.00 C ATOM 2007 O VAL A 635 4.302 4.851 9.280 1.00 0.00 O ATOM 2008 CB VAL A 635 7.649 4.683 8.228 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.610 4.098 7.191 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.670 6.215 8.125 1.00 0.00 C ATOM 0 H VAL A 635 5.296 5.662 7.134 1.00 0.00 H new ATOM 0 HA VAL A 635 6.359 3.009 7.929 1.00 0.00 H new ATOM 0 HB VAL A 635 7.978 4.413 9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.597 4.543 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.679 3.019 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.240 4.315 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.694 6.573 8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.279 6.520 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.052 6.641 8.915 1.00 0.00 H new ATOM 2020 N SER A 636 5.836 3.757 10.493 1.00 0.00 N ATOM 2021 CA SER A 636 5.162 3.923 11.776 1.00 0.00 C ATOM 2022 C SER A 636 5.621 5.168 12.538 1.00 0.00 C ATOM 2023 O SER A 636 4.924 5.604 13.455 1.00 0.00 O ATOM 2024 CB SER A 636 5.473 2.700 12.641 1.00 0.00 C ATOM 2025 OG SER A 636 6.872 2.603 12.856 1.00 0.00 O ATOM 0 H SER A 636 6.695 3.210 10.555 1.00 0.00 H new ATOM 0 HA SER A 636 4.097 4.033 11.573 1.00 0.00 H new ATOM 0 HB2 SER A 636 4.954 2.778 13.596 1.00 0.00 H new ATOM 0 HB3 SER A 636 5.108 1.796 12.153 1.00 0.00 H new ATOM 0 HG SER A 636 7.064 1.819 13.412 1.00 0.00 H new ATOM 2031 N SER A 637 6.826 5.675 12.250 1.00 0.00 N ATOM 2032 CA SER A 637 7.580 6.492 13.201 1.00 0.00 C ATOM 2033 C SER A 637 8.167 7.722 12.511 1.00 0.00 C ATOM 2034 O SER A 637 8.481 7.645 11.321 1.00 0.00 O ATOM 2035 CB SER A 637 8.659 5.612 13.848 1.00 0.00 C ATOM 2036 OG SER A 637 8.070 4.477 14.473 1.00 0.00 O ATOM 0 H SER A 637 7.300 5.531 11.358 1.00 0.00 H new ATOM 0 HA SER A 637 6.922 6.868 13.984 1.00 0.00 H new ATOM 0 HB2 SER A 637 9.373 5.288 13.091 1.00 0.00 H new ATOM 0 HB3 SER A 637 9.216 6.192 14.584 1.00 0.00 H new ATOM 0 HG SER A 637 7.779 3.840 13.787 1.00 0.00 H new ATOM 2042 N PRO A 638 8.270 8.878 13.191 1.00 0.00 N ATOM 2043 CA PRO A 638 8.670 10.114 12.530 1.00 0.00 C ATOM 2044 C PRO A 638 10.140 10.002 12.125 1.00 0.00 C ATOM 2045 O PRO A 638 10.491 10.302 10.987 1.00 0.00 O ATOM 2046 CB PRO A 638 8.405 11.231 13.541 1.00 0.00 C ATOM 2047 CG PRO A 638 8.389 10.530 14.901 1.00 0.00 C ATOM 2048 CD PRO A 638 7.933 9.108 14.588 1.00 0.00 C ATOM 0 HA PRO A 638 8.116 10.320 11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 638 9.181 11.995 13.499 1.00 0.00 H new ATOM 0 HB3 PRO A 638 7.456 11.729 13.341 1.00 0.00 H new ATOM 0 HG2 PRO A 638 9.376 10.538 15.364 1.00 0.00 H new ATOM 0 HG3 PRO A 638 7.707 11.023 15.594 1.00 0.00 H new ATOM 0 HD2 PRO A 638 8.433 8.387 15.234 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.862 8.996 14.755 1.00 0.00 H new ATOM 2056 N ASP A 639 10.970 9.460 13.017 1.00 0.00 N ATOM 2057 CA ASP A 639 12.364 9.069 12.817 1.00 0.00 C ATOM 2058 C ASP A 639 12.534 8.241 11.552 1.00 0.00 C ATOM 2059 O ASP A 639 13.508 8.383 10.830 1.00 0.00 O ATOM 2060 CB ASP A 639 12.816 8.178 13.977 1.00 0.00 C ATOM 2061 CG ASP A 639 12.776 8.833 15.345 1.00 0.00 C ATOM 2062 OD1 ASP A 639 11.679 9.253 15.769 1.00 0.00 O ATOM 2063 OD2 ASP A 639 13.804 8.794 16.060 1.00 0.00 O ATOM 0 H ASP A 639 10.661 9.269 13.970 1.00 0.00 H new ATOM 0 HA ASP A 639 12.948 9.987 12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 639 12.186 7.289 13.999 1.00 0.00 H new ATOM 0 HB3 ASP A 639 13.834 7.842 13.782 1.00 0.00 H new ATOM 2068 N ALA A 640 11.571 7.375 11.256 1.00 0.00 N ATOM 2069 CA ALA A 640 11.684 6.394 10.191 1.00 0.00 C ATOM 2070 C ALA A 640 11.610 7.101 8.847 1.00 0.00 C ATOM 2071 O ALA A 640 12.279 6.677 7.917 1.00 0.00 O ATOM 2072 CB ALA A 640 10.633 5.289 10.322 1.00 0.00 C ATOM 0 H ALA A 640 10.683 7.337 11.756 1.00 0.00 H new ATOM 0 HA ALA A 640 12.651 5.896 10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.752 4.576 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.762 4.776 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.636 5.728 10.278 1.00 0.00 H new ATOM 2078 N VAL A 641 10.879 8.214 8.741 1.00 0.00 N ATOM 2079 CA VAL A 641 10.879 9.047 7.542 1.00 0.00 C ATOM 2080 C VAL A 641 12.299 9.593 7.287 1.00 0.00 C ATOM 2081 O VAL A 641 12.672 9.802 6.131 1.00 0.00 O ATOM 2082 CB VAL A 641 9.818 10.161 7.696 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.741 11.061 6.454 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.413 9.601 7.960 1.00 0.00 C ATOM 0 H VAL A 641 10.272 8.560 9.484 1.00 0.00 H new ATOM 0 HA VAL A 641 10.607 8.461 6.664 1.00 0.00 H new ATOM 0 HB VAL A 641 10.144 10.745 8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 641 8.983 11.829 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.708 11.535 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.477 10.459 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.706 10.425 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.113 8.964 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.421 9.016 8.880 1.00 0.00 H new ATOM 2094 N THR A 642 13.112 9.782 8.331 1.00 0.00 N ATOM 2095 CA THR A 642 14.512 10.172 8.269 1.00 0.00 C ATOM 2096 C THR A 642 15.399 8.962 7.974 1.00 0.00 C ATOM 2097 O THR A 642 16.178 9.034 7.021 1.00 0.00 O ATOM 2098 CB THR A 642 14.847 10.934 9.565 1.00 0.00 C ATOM 2099 OG1 THR A 642 14.389 12.272 9.419 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.343 11.004 9.892 1.00 0.00 C ATOM 0 H THR A 642 12.788 9.659 9.290 1.00 0.00 H new ATOM 0 HA THR A 642 14.710 10.850 7.439 1.00 0.00 H new ATOM 0 HB THR A 642 14.363 10.388 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.590 12.777 10.234 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.487 11.558 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.738 9.995 10.007 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.869 11.510 9.082 1.00 0.00 H new ATOM 2108 N THR A 643 15.303 7.853 8.714 1.00 0.00 N ATOM 2109 CA THR A 643 16.163 6.695 8.476 1.00 0.00 C ATOM 2110 C THR A 643 15.991 6.216 7.037 1.00 0.00 C ATOM 2111 O THR A 643 16.963 5.985 6.322 1.00 0.00 O ATOM 2112 CB THR A 643 15.852 5.523 9.431 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.091 5.886 10.565 1.00 0.00 O ATOM 2114 CG2 THR A 643 17.159 4.898 9.907 1.00 0.00 C ATOM 0 H THR A 643 14.640 7.735 9.480 1.00 0.00 H new ATOM 0 HA THR A 643 17.189 7.014 8.659 1.00 0.00 H new ATOM 0 HB THR A 643 15.249 4.820 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.933 5.094 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.942 4.070 10.582 1.00 0.00 H new ATOM 0 HG22 THR A 643 17.720 4.529 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.751 5.648 10.432 1.00 0.00 H new ATOM 2122 N TYR A 644 14.732 6.081 6.623 1.00 0.00 N ATOM 2123 CA TYR A 644 14.331 5.549 5.339 1.00 0.00 C ATOM 2124 C TYR A 644 14.908 6.376 4.196 1.00 0.00 C ATOM 2125 O TYR A 644 15.637 5.847 3.356 1.00 0.00 O ATOM 2126 CB TYR A 644 12.807 5.411 5.289 1.00 0.00 C ATOM 2127 CG TYR A 644 12.343 4.527 4.167 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.125 5.025 2.874 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.185 3.164 4.437 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.755 4.140 1.848 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.896 2.260 3.407 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.686 2.753 2.100 1.00 0.00 C ATOM 2133 OH TYR A 644 11.414 1.894 1.085 1.00 0.00 O ATOM 0 H TYR A 644 13.938 6.353 7.203 1.00 0.00 H new ATOM 0 HA TYR A 644 14.745 4.549 5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.451 5.006 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.360 6.399 5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.241 6.079 2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.287 2.805 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.523 4.521 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.835 1.201 3.609 1.00 0.00 H new ATOM 0 HH TYR A 644 12.103 1.976 0.393 1.00 0.00 H new ATOM 2143 N ASN A 645 14.651 7.687 4.214 1.00 0.00 N ATOM 2144 CA ASN A 645 15.251 8.641 3.283 1.00 0.00 C ATOM 2145 C ASN A 645 16.772 8.508 3.276 1.00 0.00 C ATOM 2146 O ASN A 645 17.387 8.616 2.218 1.00 0.00 O ATOM 2147 CB ASN A 645 14.898 10.079 3.699 1.00 0.00 C ATOM 2148 CG ASN A 645 13.764 10.669 2.884 1.00 0.00 C ATOM 2149 OD1 ASN A 645 13.980 11.099 1.755 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.542 10.661 3.387 1.00 0.00 N ATOM 0 H ASN A 645 14.013 8.118 4.883 1.00 0.00 H new ATOM 0 HA ASN A 645 14.859 8.426 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.624 10.089 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.781 10.709 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.761 11.016 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.380 10.300 4.327 1.00 0.00 H new ATOM 2157 N GLY A 646 17.366 8.257 4.442 1.00 0.00 N ATOM 2158 CA GLY A 646 18.774 7.986 4.640 1.00 0.00 C ATOM 2159 C GLY A 646 19.260 6.886 3.718 1.00 0.00 C ATOM 2160 O GLY A 646 20.080 7.144 2.840 1.00 0.00 O ATOM 0 H GLY A 646 16.842 8.238 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.350 8.894 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.948 7.698 5.677 1.00 0.00 H new ATOM 2164 N TYR A 647 18.710 5.678 3.865 1.00 0.00 N ATOM 2165 CA TYR A 647 19.067 4.527 3.037 1.00 0.00 C ATOM 2166 C TYR A 647 18.909 4.878 1.554 1.00 0.00 C ATOM 2167 O TYR A 647 19.778 4.558 0.743 1.00 0.00 O ATOM 2168 CB TYR A 647 18.207 3.315 3.420 1.00 0.00 C ATOM 2169 CG TYR A 647 18.345 2.895 4.871 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.527 2.318 5.352 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.282 3.087 5.758 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.648 1.972 6.708 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.386 2.771 7.117 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.587 2.217 7.612 1.00 0.00 C ATOM 2175 OH TYR A 647 18.720 1.887 8.926 1.00 0.00 O ATOM 0 H TYR A 647 18.000 5.471 4.567 1.00 0.00 H new ATOM 0 HA TYR A 647 20.111 4.266 3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.161 3.546 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.478 2.474 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.350 2.138 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.353 3.491 5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.559 1.515 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.554 2.949 7.782 1.00 0.00 H new ATOM 0 HH TYR A 647 17.900 2.123 9.407 1.00 0.00 H new ATOM 2185 N LEU A 648 17.835 5.593 1.203 1.00 0.00 N ATOM 2186 CA LEU A 648 17.521 5.924 -0.186 1.00 0.00 C ATOM 2187 C LEU A 648 18.503 6.936 -0.783 1.00 0.00 C ATOM 2188 O LEU A 648 18.713 6.942 -1.997 1.00 0.00 O ATOM 2189 CB LEU A 648 16.101 6.489 -0.296 1.00 0.00 C ATOM 2190 CG LEU A 648 14.929 5.571 0.112 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.782 5.804 -0.860 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.206 4.065 0.129 1.00 0.00 C ATOM 0 H LEU A 648 17.160 5.957 1.876 1.00 0.00 H new ATOM 0 HA LEU A 648 17.603 4.995 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.050 7.389 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 648 15.942 6.797 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 648 14.713 5.844 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.941 5.165 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.473 6.848 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.109 5.566 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.304 3.533 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.503 3.738 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 648 16.008 3.851 0.835 1.00 0.00 H new ATOM 2204 N THR A 649 19.080 7.798 0.050 1.00 0.00 N ATOM 2205 CA THR A 649 20.069 8.807 -0.322 1.00 0.00 C ATOM 2206 C THR A 649 21.493 8.224 -0.240 1.00 0.00 C ATOM 2207 O THR A 649 22.427 8.788 -0.814 1.00 0.00 O ATOM 2208 CB THR A 649 19.880 10.019 0.612 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.522 10.433 0.618 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.709 11.248 0.233 1.00 0.00 C ATOM 0 H THR A 649 18.862 7.813 1.046 1.00 0.00 H new ATOM 0 HA THR A 649 19.928 9.127 -1.355 1.00 0.00 H new ATOM 0 HB THR A 649 20.215 9.665 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.048 9.990 1.353 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.514 12.052 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 649 21.769 10.993 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.436 11.576 -0.770 1.00 0.00 H new