USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=36 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= 0.0262 USER MOD Set 1.2: A 637 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 624 MET CE :methyl 141:sc= -0.485 (180deg=-0.706) USER MOD Set 2.2: A 644 TYR OH : rot -130:sc= -0.0925 USER MOD Set 3.1: A 536 MET CE :methyl -177:sc= -3.49 (180deg=-2.59!) USER MOD Set 3.2: A 605 THR OG1 : rot 140:sc= 1.62 USER MOD Set 3.3: A 606 MET CE :methyl -165:sc= -1.98 (180deg=-0.818) USER MOD Set 3.4: A 634 SER OG : rot 68:sc= 1.24 USER MOD Set 4.1: A 550 CYS SG : rot 120:sc= -0.103 USER MOD Set 4.2: A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot -142:sc= 0.603 USER MOD Single : A 530 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 532 ASN : amide:sc= 0.076 X(o=0.076,f=0.0053) USER MOD Single : A 539 HIS : no HE2:sc= -0.924 K(o=-0.92,f=-1.6) USER MOD Single : A 543 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 545 LYS NZ :NH3+ 166:sc= -0.552 (180deg=-1.16) USER MOD Single : A 547 MET CE :methyl -178:sc= -1.29 (180deg=-1.32) USER MOD Single : A 551 MET CE :methyl 177:sc= 0 (180deg=-0.00909) USER MOD Single : A 557 MET CE :methyl 142:sc= -1.72 (180deg=-4.56!) USER MOD Single : A 559 THR OG1 : rot -130:sc= 0 USER MOD Single : A 561 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.4) USER MOD Single : A 563 LYS NZ :NH3+ -143:sc= -0.0495 (180deg=-2.02!) USER MOD Single : A 564 TYR OH : rot 100:sc= -0.0068 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 : amide:sc= -5.37 K(o=-5.4,f=-4) USER MOD Single : A 576 TYR OH : rot -30:sc= 0.183 USER MOD Single : A 583 TYR OH : rot 180:sc=-0.00653 USER MOD Single : A 584 THR OG1 : rot 17:sc= 0.802 USER MOD Single : A 585 SER OG : rot 159:sc= 1.11 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -116:sc= 1.25 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -3.39 X(o=-3.4,f=-3.8) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HE2:sc= -0.56 K(o=-0.56,f=-1.1) USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 623 CYS SG : rot 156:sc= 0.146 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 642 THR OG1 : rot 180:sc= 0.00645 USER MOD Single : A 643 THR OG1 : rot 180:sc=-0.00816 USER MOD Single : A 645 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.64) USER MOD Single : A 647 TYR OH : rot 180:sc=-0.00363 USER MOD Single : A 649 THR OG1 : rot 84:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.524 15.602 -6.371 1.00 0.00 N ATOM 215 CA GLU A 524 0.037 14.371 -5.860 1.00 0.00 C ATOM 216 C GLU A 524 1.457 14.589 -5.391 1.00 0.00 C ATOM 217 O GLU A 524 2.218 15.401 -5.918 1.00 0.00 O ATOM 218 CB GLU A 524 -0.094 13.193 -6.835 1.00 0.00 C ATOM 219 CG GLU A 524 0.741 13.277 -8.117 1.00 0.00 C ATOM 220 CD GLU A 524 0.153 14.242 -9.145 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.468 15.453 -9.106 1.00 0.00 O ATOM 222 OE2 GLU A 524 -0.626 13.767 -10.000 1.00 0.00 O ATOM 0 HA GLU A 524 -0.558 14.080 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.181 12.280 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -1.143 13.096 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.753 13.594 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 524 0.819 12.284 -8.560 1.00 0.00 H new ATOM 229 N ILE A 525 1.764 13.798 -4.376 1.00 0.00 N ATOM 230 CA ILE A 525 3.012 13.702 -3.681 1.00 0.00 C ATOM 231 C ILE A 525 3.601 12.364 -4.116 1.00 0.00 C ATOM 232 O ILE A 525 2.904 11.467 -4.607 1.00 0.00 O ATOM 233 CB ILE A 525 2.749 13.754 -2.151 1.00 0.00 C ATOM 234 CG1 ILE A 525 1.713 14.843 -1.785 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.998 13.963 -1.284 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.333 14.212 -1.655 1.00 0.00 C ATOM 0 H ILE A 525 1.074 13.153 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 525 3.699 14.517 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 525 2.363 12.760 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 525 1.993 15.326 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 525 1.699 15.618 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 525 3.712 13.985 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 525 4.699 13.145 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 525 4.472 14.907 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.396 14.981 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 525 0.053 13.750 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 525 0.352 13.453 -0.873 1.00 0.00 H new ATOM 248 N LEU A 526 4.886 12.232 -3.854 1.00 0.00 N ATOM 249 CA LEU A 526 5.753 11.096 -4.022 1.00 0.00 C ATOM 250 C LEU A 526 6.740 11.092 -2.855 1.00 0.00 C ATOM 251 O LEU A 526 6.905 12.105 -2.163 1.00 0.00 O ATOM 252 CB LEU A 526 6.488 11.235 -5.343 1.00 0.00 C ATOM 253 CG LEU A 526 5.674 10.813 -6.580 1.00 0.00 C ATOM 254 CD1 LEU A 526 6.570 10.943 -7.804 1.00 0.00 C ATOM 255 CD2 LEU A 526 5.128 9.378 -6.528 1.00 0.00 C ATOM 0 H LEU A 526 5.405 13.022 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 526 5.192 10.162 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 526 6.796 12.274 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.398 10.636 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 526 4.804 11.469 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 526 6.014 10.649 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 526 6.898 11.977 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 526 7.440 10.296 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 526 4.569 9.168 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 526 5.957 8.676 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.470 9.270 -5.666 1.00 0.00 H new ATOM 267 N GLY A 527 7.445 9.981 -2.688 1.00 0.00 N ATOM 268 CA GLY A 527 8.398 9.773 -1.610 1.00 0.00 C ATOM 269 C GLY A 527 7.771 9.079 -0.407 1.00 0.00 C ATOM 270 O GLY A 527 6.573 8.785 -0.394 1.00 0.00 O ATOM 0 H GLY A 527 7.367 9.180 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.233 9.175 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.807 10.735 -1.299 1.00 0.00 H new ATOM 274 N THR A 528 8.592 8.787 0.598 1.00 0.00 N ATOM 275 CA THR A 528 8.131 8.256 1.866 1.00 0.00 C ATOM 276 C THR A 528 7.503 9.401 2.664 1.00 0.00 C ATOM 277 O THR A 528 8.053 10.503 2.724 1.00 0.00 O ATOM 278 CB THR A 528 9.301 7.602 2.619 1.00 0.00 C ATOM 279 OG1 THR A 528 10.053 6.740 1.785 1.00 0.00 O ATOM 280 CG2 THR A 528 8.796 6.748 3.790 1.00 0.00 C ATOM 0 H THR A 528 9.603 8.915 0.549 1.00 0.00 H new ATOM 0 HA THR A 528 7.379 7.482 1.712 1.00 0.00 H new ATOM 0 HB THR A 528 9.923 8.425 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.331 5.951 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.645 6.298 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.242 7.377 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.142 5.962 3.412 1.00 0.00 H new ATOM 288 N VAL A 529 6.367 9.132 3.295 1.00 0.00 N ATOM 289 CA VAL A 529 5.611 10.053 4.139 1.00 0.00 C ATOM 290 C VAL A 529 5.203 9.326 5.428 1.00 0.00 C ATOM 291 O VAL A 529 5.278 8.098 5.516 1.00 0.00 O ATOM 292 CB VAL A 529 4.398 10.619 3.361 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.802 11.668 2.314 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.599 9.521 2.645 1.00 0.00 C ATOM 0 H VAL A 529 5.923 8.216 3.229 1.00 0.00 H new ATOM 0 HA VAL A 529 6.226 10.908 4.418 1.00 0.00 H new ATOM 0 HB VAL A 529 3.777 11.089 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.912 12.030 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.300 12.502 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.481 11.217 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.759 9.970 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.245 9.006 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.225 8.806 3.378 1.00 0.00 H new ATOM 304 N SER A 530 4.756 10.069 6.438 1.00 0.00 N ATOM 305 CA SER A 530 4.356 9.550 7.744 1.00 0.00 C ATOM 306 C SER A 530 2.849 9.316 7.713 1.00 0.00 C ATOM 307 O SER A 530 2.069 9.979 8.404 1.00 0.00 O ATOM 308 CB SER A 530 4.826 10.510 8.843 1.00 0.00 C ATOM 309 OG SER A 530 4.877 11.852 8.383 1.00 0.00 O ATOM 0 H SER A 530 4.659 11.082 6.368 1.00 0.00 H new ATOM 0 HA SER A 530 4.827 8.594 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.152 10.444 9.697 1.00 0.00 H new ATOM 0 HB3 SER A 530 5.813 10.208 9.192 1.00 0.00 H new ATOM 0 HG SER A 530 5.179 12.436 9.110 1.00 0.00 H new ATOM 315 N TRP A 531 2.438 8.453 6.793 1.00 0.00 N ATOM 316 CA TRP A 531 1.071 7.993 6.627 1.00 0.00 C ATOM 317 C TRP A 531 1.053 6.545 7.098 1.00 0.00 C ATOM 318 O TRP A 531 2.116 5.930 7.207 1.00 0.00 O ATOM 319 CB TRP A 531 0.685 8.094 5.148 1.00 0.00 C ATOM 320 CG TRP A 531 0.616 9.468 4.550 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.949 10.634 5.149 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.285 9.819 3.175 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.878 11.670 4.242 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.533 11.212 2.990 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.113 9.077 2.044 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.459 11.822 1.730 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.222 9.685 0.779 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.091 11.048 0.616 1.00 0.00 C ATOM 0 H TRP A 531 3.077 8.039 6.115 1.00 0.00 H new ATOM 0 HA TRP A 531 0.359 8.590 7.196 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.402 7.510 4.571 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.288 7.620 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.230 10.738 6.187 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.058 12.648 4.469 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.338 8.026 2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.682 12.873 1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.547 9.103 -0.071 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.048 11.499 -0.365 1.00 0.00 H new ATOM 339 N ASN A 532 -0.125 5.961 7.306 1.00 0.00 N ATOM 340 CA ASN A 532 -0.243 4.619 7.868 1.00 0.00 C ATOM 341 C ASN A 532 -1.206 3.793 7.040 1.00 0.00 C ATOM 342 O ASN A 532 -0.821 2.752 6.513 1.00 0.00 O ATOM 343 CB ASN A 532 -0.717 4.689 9.326 1.00 0.00 C ATOM 344 CG ASN A 532 0.350 5.289 10.214 1.00 0.00 C ATOM 345 OD1 ASN A 532 1.295 4.594 10.568 1.00 0.00 O ATOM 346 ND2 ASN A 532 0.220 6.571 10.528 1.00 0.00 N ATOM 0 H ASN A 532 -1.019 6.402 7.091 1.00 0.00 H new ATOM 0 HA ASN A 532 0.737 4.143 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -1.626 5.287 9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -0.969 3.689 9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 532 0.931 7.032 11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.591 7.096 10.202 1.00 0.00 H new ATOM 353 N LEU A 533 -2.464 4.226 6.969 1.00 0.00 N ATOM 354 CA LEU A 533 -3.585 3.474 6.419 1.00 0.00 C ATOM 355 C LEU A 533 -4.706 4.455 6.098 1.00 0.00 C ATOM 356 O LEU A 533 -5.044 4.642 4.935 1.00 0.00 O ATOM 357 CB LEU A 533 -4.051 2.406 7.435 1.00 0.00 C ATOM 358 CG LEU A 533 -3.712 0.971 6.988 1.00 0.00 C ATOM 359 CD1 LEU A 533 -3.625 0.073 8.224 1.00 0.00 C ATOM 360 CD2 LEU A 533 -4.753 0.447 5.990 1.00 0.00 C ATOM 0 H LEU A 533 -2.738 5.148 7.308 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.288 2.955 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.584 2.601 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.128 2.492 7.578 1.00 0.00 H new ATOM 0 HG LEU A 533 -2.750 0.968 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -3.385 -0.945 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -2.846 0.445 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -4.582 0.079 8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -4.491 -0.568 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -5.737 0.444 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -4.772 1.092 5.111 1.00 0.00 H new ATOM 372 N ARG A 534 -5.271 5.109 7.116 1.00 0.00 N ATOM 373 CA ARG A 534 -6.361 6.086 6.974 1.00 0.00 C ATOM 374 C ARG A 534 -5.974 7.191 6.002 1.00 0.00 C ATOM 375 O ARG A 534 -6.766 7.620 5.169 1.00 0.00 O ATOM 376 CB ARG A 534 -6.651 6.717 8.348 1.00 0.00 C ATOM 377 CG ARG A 534 -7.255 5.720 9.349 1.00 0.00 C ATOM 378 CD ARG A 534 -8.778 5.741 9.272 1.00 0.00 C ATOM 379 NE ARG A 534 -9.372 6.966 9.839 1.00 0.00 N ATOM 380 CZ ARG A 534 -10.667 7.292 9.726 1.00 0.00 C ATOM 381 NH1 ARG A 534 -11.422 6.681 8.826 1.00 0.00 N ATOM 382 NH2 ARG A 534 -11.214 8.202 10.518 1.00 0.00 N ATOM 0 H ARG A 534 -4.979 4.973 8.084 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.242 5.571 6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -5.726 7.121 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.336 7.555 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -6.888 4.716 9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -6.933 5.970 10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -9.084 5.645 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -9.174 4.874 9.801 1.00 0.00 H new ATOM 0 HE ARG A 534 -8.760 7.604 10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -11.017 5.965 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -12.408 6.926 8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.648 8.667 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -12.201 8.438 10.418 1.00 0.00 H new ATOM 396 N GLU A 535 -4.751 7.663 6.158 1.00 0.00 N ATOM 397 CA GLU A 535 -4.171 8.784 5.453 1.00 0.00 C ATOM 398 C GLU A 535 -3.967 8.433 3.978 1.00 0.00 C ATOM 399 O GLU A 535 -4.149 9.259 3.084 1.00 0.00 O ATOM 400 CB GLU A 535 -2.831 9.137 6.084 1.00 0.00 C ATOM 401 CG GLU A 535 -2.869 9.314 7.616 1.00 0.00 C ATOM 402 CD GLU A 535 -2.695 8.011 8.422 1.00 0.00 C ATOM 403 OE1 GLU A 535 -2.734 6.900 7.843 1.00 0.00 O ATOM 404 OE2 GLU A 535 -2.559 8.049 9.662 1.00 0.00 O ATOM 0 H GLU A 535 -4.099 7.246 6.822 1.00 0.00 H new ATOM 0 HA GLU A 535 -4.846 9.637 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.112 8.355 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.464 10.059 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -2.084 10.012 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -3.820 9.771 7.891 1.00 0.00 H new ATOM 411 N MET A 536 -3.561 7.188 3.724 1.00 0.00 N ATOM 412 CA MET A 536 -3.407 6.648 2.397 1.00 0.00 C ATOM 413 C MET A 536 -4.748 6.498 1.720 1.00 0.00 C ATOM 414 O MET A 536 -4.859 6.952 0.595 1.00 0.00 O ATOM 415 CB MET A 536 -2.788 5.271 2.458 1.00 0.00 C ATOM 416 CG MET A 536 -1.348 5.293 2.914 1.00 0.00 C ATOM 417 SD MET A 536 -0.318 4.354 1.778 1.00 0.00 S ATOM 418 CE MET A 536 0.511 3.473 3.062 1.00 0.00 C ATOM 0 H MET A 536 -3.328 6.522 4.461 1.00 0.00 H new ATOM 0 HA MET A 536 -2.772 7.338 1.841 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.369 4.647 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.845 4.809 1.472 1.00 0.00 H new ATOM 0 HG2 MET A 536 -0.993 6.322 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.271 4.873 3.917 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.275 2.829 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 536 0.980 4.181 3.745 1.00 0.00 H new ATOM 0 HE3 MET A 536 -0.209 2.864 3.609 1.00 0.00 H new ATOM 428 N LEU A 537 -5.732 5.863 2.366 1.00 0.00 N ATOM 429 CA LEU A 537 -7.077 5.670 1.883 1.00 0.00 C ATOM 430 C LEU A 537 -7.635 6.933 1.249 1.00 0.00 C ATOM 431 O LEU A 537 -8.180 6.849 0.149 1.00 0.00 O ATOM 432 CB LEU A 537 -7.934 5.221 3.076 1.00 0.00 C ATOM 433 CG LEU A 537 -8.205 3.722 3.031 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.027 2.761 3.197 1.00 0.00 C ATOM 435 CD2 LEU A 537 -9.230 3.381 4.113 1.00 0.00 C ATOM 0 H LEU A 537 -5.589 5.453 3.289 1.00 0.00 H new ATOM 0 HA LEU A 537 -7.085 4.912 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.426 5.473 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.879 5.764 3.072 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.541 3.562 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.385 1.733 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.300 2.936 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.554 2.929 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.436 2.311 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.834 3.658 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -10.152 3.931 3.927 1.00 0.00 H new ATOM 447 N ALA A 538 -7.459 8.082 1.914 1.00 0.00 N ATOM 448 CA ALA A 538 -7.916 9.356 1.373 1.00 0.00 C ATOM 449 C ALA A 538 -7.253 9.625 0.019 1.00 0.00 C ATOM 450 O ALA A 538 -7.923 9.803 -0.999 1.00 0.00 O ATOM 451 CB ALA A 538 -7.612 10.461 2.388 1.00 0.00 C ATOM 0 H ALA A 538 -7.004 8.149 2.824 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.992 9.329 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -7.950 11.420 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.131 10.249 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.538 10.502 2.571 1.00 0.00 H new ATOM 457 N HIS A 539 -5.921 9.614 0.007 1.00 0.00 N ATOM 458 CA HIS A 539 -5.132 9.921 -1.171 1.00 0.00 C ATOM 459 C HIS A 539 -5.339 8.911 -2.297 1.00 0.00 C ATOM 460 O HIS A 539 -5.510 9.328 -3.442 1.00 0.00 O ATOM 461 CB HIS A 539 -3.662 10.028 -0.781 1.00 0.00 C ATOM 462 CG HIS A 539 -2.835 10.565 -1.910 1.00 0.00 C ATOM 463 ND1 HIS A 539 -3.008 11.804 -2.505 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.817 9.901 -2.539 1.00 0.00 C ATOM 465 CE1 HIS A 539 -2.059 11.922 -3.446 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.313 10.791 -3.478 1.00 0.00 N ATOM 0 H HIS A 539 -5.359 9.388 0.828 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.472 10.879 -1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.561 10.678 0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.289 9.046 -0.489 1.00 0.00 H new ATOM 0 HD1 HIS A 539 -3.721 12.495 -2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.477 8.895 -2.345 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.912 12.784 -4.080 1.00 0.00 H new ATOM 475 N ALA A 540 -5.279 7.607 -2.005 1.00 0.00 N ATOM 476 CA ALA A 540 -5.644 6.540 -2.918 1.00 0.00 C ATOM 477 C ALA A 540 -6.959 6.857 -3.633 1.00 0.00 C ATOM 478 O ALA A 540 -6.957 6.880 -4.856 1.00 0.00 O ATOM 479 CB ALA A 540 -5.714 5.205 -2.169 1.00 0.00 C ATOM 0 H ALA A 540 -4.965 7.264 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.874 6.456 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.989 4.412 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.741 4.982 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.462 5.270 -1.379 1.00 0.00 H new ATOM 485 N GLU A 541 -8.052 7.147 -2.919 1.00 0.00 N ATOM 486 CA GLU A 541 -9.346 7.441 -3.522 1.00 0.00 C ATOM 487 C GLU A 541 -9.312 8.708 -4.379 1.00 0.00 C ATOM 488 O GLU A 541 -9.864 8.722 -5.478 1.00 0.00 O ATOM 489 CB GLU A 541 -10.379 7.621 -2.404 1.00 0.00 C ATOM 490 CG GLU A 541 -11.130 6.339 -2.056 1.00 0.00 C ATOM 491 CD GLU A 541 -12.619 6.450 -2.395 1.00 0.00 C ATOM 492 OE1 GLU A 541 -13.024 6.128 -3.536 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.419 6.743 -1.474 1.00 0.00 O ATOM 0 H GLU A 541 -8.058 7.183 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.610 6.609 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.875 7.991 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -11.098 8.384 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.694 5.502 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.013 6.125 -0.994 1.00 0.00 H new ATOM 500 N GLU A 542 -8.690 9.773 -3.873 1.00 0.00 N ATOM 501 CA GLU A 542 -8.584 11.068 -4.537 1.00 0.00 C ATOM 502 C GLU A 542 -7.900 10.907 -5.897 1.00 0.00 C ATOM 503 O GLU A 542 -8.431 11.326 -6.928 1.00 0.00 O ATOM 504 CB GLU A 542 -7.827 12.009 -3.587 1.00 0.00 C ATOM 505 CG GLU A 542 -7.538 13.429 -4.126 1.00 0.00 C ATOM 506 CD GLU A 542 -6.040 13.718 -4.284 1.00 0.00 C ATOM 507 OE1 GLU A 542 -5.260 13.465 -3.335 1.00 0.00 O ATOM 508 OE2 GLU A 542 -5.649 14.274 -5.342 1.00 0.00 O ATOM 0 H GLU A 542 -8.233 9.756 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.564 11.498 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.402 12.102 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.878 11.541 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -8.030 13.552 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -7.975 14.164 -3.450 1.00 0.00 H new ATOM 515 N THR A 543 -6.734 10.265 -5.902 1.00 0.00 N ATOM 516 CA THR A 543 -5.874 10.182 -7.076 1.00 0.00 C ATOM 517 C THR A 543 -6.110 8.929 -7.928 1.00 0.00 C ATOM 518 O THR A 543 -5.551 8.831 -9.022 1.00 0.00 O ATOM 519 CB THR A 543 -4.402 10.276 -6.645 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.041 9.335 -5.651 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.036 11.632 -6.061 1.00 0.00 C ATOM 0 H THR A 543 -6.358 9.785 -5.084 1.00 0.00 H new ATOM 0 HA THR A 543 -6.132 11.026 -7.716 1.00 0.00 H new ATOM 0 HB THR A 543 -3.868 10.085 -7.576 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.409 9.615 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 543 -2.984 11.634 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.212 12.408 -6.806 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.650 11.827 -5.182 1.00 0.00 H new ATOM 529 N ARG A 544 -6.904 7.965 -7.445 1.00 0.00 N ATOM 530 CA ARG A 544 -6.882 6.562 -7.870 1.00 0.00 C ATOM 531 C ARG A 544 -5.430 6.106 -8.009 1.00 0.00 C ATOM 532 O ARG A 544 -4.953 5.819 -9.107 1.00 0.00 O ATOM 533 CB ARG A 544 -7.773 6.309 -9.102 1.00 0.00 C ATOM 534 CG ARG A 544 -9.242 6.038 -8.734 1.00 0.00 C ATOM 535 CD ARG A 544 -9.996 7.227 -8.123 1.00 0.00 C ATOM 536 NE ARG A 544 -11.000 7.784 -9.033 1.00 0.00 N ATOM 537 CZ ARG A 544 -11.860 8.761 -8.739 1.00 0.00 C ATOM 538 NH1 ARG A 544 -11.802 9.360 -7.552 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.760 9.102 -9.658 1.00 0.00 N ATOM 0 H ARG A 544 -7.602 8.148 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.337 5.932 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.723 7.174 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.381 5.458 -9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.771 5.716 -9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.275 5.207 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -10.483 6.909 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.282 8.006 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.046 7.391 -9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -11.101 9.072 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -12.458 10.107 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -12.779 8.620 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.431 9.845 -9.463 1.00 0.00 H new ATOM 553 N LYS A 545 -4.716 6.084 -6.880 1.00 0.00 N ATOM 554 CA LYS A 545 -3.379 5.505 -6.784 1.00 0.00 C ATOM 555 C LYS A 545 -3.511 4.123 -6.173 1.00 0.00 C ATOM 556 O LYS A 545 -4.097 3.979 -5.099 1.00 0.00 O ATOM 557 CB LYS A 545 -2.418 6.405 -5.999 1.00 0.00 C ATOM 558 CG LYS A 545 -1.902 7.502 -6.940 1.00 0.00 C ATOM 559 CD LYS A 545 -0.972 8.497 -6.244 1.00 0.00 C ATOM 560 CE LYS A 545 -0.903 9.814 -7.029 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.530 9.638 -8.443 1.00 0.00 N ATOM 0 H LYS A 545 -5.056 6.472 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.939 5.420 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.928 6.848 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.586 5.820 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.372 7.039 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.751 8.040 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.328 8.689 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.026 8.068 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.872 10.310 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -0.180 10.475 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.729 10.514 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.484 9.418 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 -1.081 8.857 -8.853 1.00 0.00 H new ATOM 575 N LEU A 546 -2.992 3.126 -6.883 1.00 0.00 N ATOM 576 CA LEU A 546 -3.073 1.713 -6.556 1.00 0.00 C ATOM 577 C LEU A 546 -2.419 1.491 -5.197 1.00 0.00 C ATOM 578 O LEU A 546 -1.339 2.027 -4.923 1.00 0.00 O ATOM 579 CB LEU A 546 -2.345 0.905 -7.645 1.00 0.00 C ATOM 580 CG LEU A 546 -2.421 -0.624 -7.472 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.803 -1.157 -7.847 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.401 -1.305 -8.386 1.00 0.00 C ATOM 0 H LEU A 546 -2.477 3.295 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 546 -4.112 1.385 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.765 1.168 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.297 1.204 -7.660 1.00 0.00 H new ATOM 0 HG LEU A 546 -2.214 -0.842 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.824 -2.239 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.556 -0.698 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -4.016 -0.915 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.462 -2.386 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.616 -1.051 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.398 -0.965 -8.129 1.00 0.00 H new ATOM 594 N MET A 547 -3.029 0.640 -4.377 1.00 0.00 N ATOM 595 CA MET A 547 -2.585 0.383 -3.019 1.00 0.00 C ATOM 596 C MET A 547 -2.213 -1.096 -2.852 1.00 0.00 C ATOM 597 O MET A 547 -3.066 -1.915 -2.518 1.00 0.00 O ATOM 598 CB MET A 547 -3.677 0.880 -2.065 1.00 0.00 C ATOM 599 CG MET A 547 -3.183 1.020 -0.626 1.00 0.00 C ATOM 600 SD MET A 547 -4.282 2.045 0.386 1.00 0.00 S ATOM 601 CE MET A 547 -3.351 2.093 1.931 1.00 0.00 C ATOM 0 H MET A 547 -3.855 0.105 -4.644 1.00 0.00 H new ATOM 0 HA MET A 547 -1.672 0.928 -2.779 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.047 1.844 -2.413 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.519 0.188 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.097 0.031 -0.176 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.184 1.456 -0.629 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.911 2.659 2.676 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.192 1.077 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.387 2.573 1.760 1.00 0.00 H new ATOM 611 N PRO A 548 -0.966 -1.504 -3.129 1.00 0.00 N ATOM 612 CA PRO A 548 -0.508 -2.859 -2.831 1.00 0.00 C ATOM 613 C PRO A 548 -0.661 -3.202 -1.347 1.00 0.00 C ATOM 614 O PRO A 548 -0.269 -2.384 -0.511 1.00 0.00 O ATOM 615 CB PRO A 548 0.961 -2.895 -3.239 1.00 0.00 C ATOM 616 CG PRO A 548 1.076 -1.782 -4.277 1.00 0.00 C ATOM 617 CD PRO A 548 0.043 -0.752 -3.849 1.00 0.00 C ATOM 0 HA PRO A 548 -1.104 -3.595 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.618 -2.717 -2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 548 1.237 -3.863 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.079 -1.355 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 548 0.873 -2.154 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.490 0.014 -3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.386 -0.242 -4.712 1.00 0.00 H new ATOM 625 N ILE A 549 -1.163 -4.394 -1.009 1.00 0.00 N ATOM 626 CA ILE A 549 -1.330 -4.861 0.372 1.00 0.00 C ATOM 627 C ILE A 549 -1.026 -6.367 0.409 1.00 0.00 C ATOM 628 O ILE A 549 -1.400 -7.067 -0.528 1.00 0.00 O ATOM 629 CB ILE A 549 -2.790 -4.597 0.800 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.243 -3.123 0.799 1.00 0.00 C ATOM 631 CG2 ILE A 549 -3.134 -5.215 2.153 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.607 -2.191 1.835 1.00 0.00 C ATOM 0 H ILE A 549 -1.471 -5.076 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.656 -4.340 1.052 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.347 -5.093 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.047 -2.711 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.323 -3.102 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -4.173 -4.996 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.992 -6.295 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.483 -4.796 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -3.016 -1.187 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.824 -2.560 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.528 -2.162 1.684 1.00 0.00 H new ATOM 644 N CYS A 550 -0.435 -6.878 1.496 1.00 0.00 N ATOM 645 CA CYS A 550 -0.182 -8.301 1.726 1.00 0.00 C ATOM 646 C CYS A 550 -1.268 -8.884 2.642 1.00 0.00 C ATOM 647 O CYS A 550 -1.403 -8.436 3.786 1.00 0.00 O ATOM 648 CB CYS A 550 1.192 -8.467 2.391 1.00 0.00 C ATOM 649 SG CYS A 550 1.584 -10.226 2.582 1.00 0.00 S ATOM 0 H CYS A 550 -0.110 -6.290 2.264 1.00 0.00 H new ATOM 0 HA CYS A 550 -0.198 -8.830 0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 550 1.958 -7.979 1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.194 -7.978 3.365 1.00 0.00 H new ATOM 0 HG CYS A 550 2.674 -10.501 1.930 1.00 0.00 H new ATOM 655 N MET A 551 -1.987 -9.905 2.173 1.00 0.00 N ATOM 656 CA MET A 551 -3.108 -10.550 2.863 1.00 0.00 C ATOM 657 C MET A 551 -2.688 -11.275 4.142 1.00 0.00 C ATOM 658 O MET A 551 -3.516 -11.529 5.016 1.00 0.00 O ATOM 659 CB MET A 551 -3.817 -11.525 1.901 1.00 0.00 C ATOM 660 CG MET A 551 -2.932 -12.668 1.369 1.00 0.00 C ATOM 661 SD MET A 551 -3.834 -13.930 0.429 1.00 0.00 S ATOM 662 CE MET A 551 -4.210 -13.007 -1.087 1.00 0.00 C ATOM 0 H MET A 551 -1.797 -10.324 1.263 1.00 0.00 H new ATOM 0 HA MET A 551 -3.795 -9.761 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.676 -11.958 2.414 1.00 0.00 H new ATOM 0 HB3 MET A 551 -4.204 -10.959 1.053 1.00 0.00 H new ATOM 0 HG2 MET A 551 -2.154 -12.245 0.734 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.431 -13.147 2.211 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.719 -13.662 -1.795 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.854 -12.161 -0.848 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.283 -12.643 -1.531 1.00 0.00 H new ATOM 672 N ASP A 552 -1.410 -11.633 4.227 1.00 0.00 N ATOM 673 CA ASP A 552 -0.815 -12.416 5.303 1.00 0.00 C ATOM 674 C ASP A 552 -0.636 -11.572 6.555 1.00 0.00 C ATOM 675 O ASP A 552 -0.716 -12.068 7.678 1.00 0.00 O ATOM 676 CB ASP A 552 0.545 -12.866 4.797 1.00 0.00 C ATOM 677 CG ASP A 552 1.186 -13.985 5.606 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.916 -13.690 6.589 1.00 0.00 O ATOM 679 OD2 ASP A 552 1.091 -15.131 5.122 1.00 0.00 O ATOM 0 H ASP A 552 -0.730 -11.372 3.513 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.455 -13.258 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.442 -13.196 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.218 -12.008 4.792 1.00 0.00 H new ATOM 684 N VAL A 553 -0.442 -10.265 6.373 1.00 0.00 N ATOM 685 CA VAL A 553 -0.394 -9.313 7.462 1.00 0.00 C ATOM 686 C VAL A 553 -1.846 -8.957 7.786 1.00 0.00 C ATOM 687 O VAL A 553 -2.345 -7.876 7.460 1.00 0.00 O ATOM 688 CB VAL A 553 0.499 -8.110 7.102 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.814 -7.341 8.385 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.836 -8.507 6.452 1.00 0.00 C ATOM 0 H VAL A 553 -0.314 -9.843 5.453 1.00 0.00 H new ATOM 0 HA VAL A 553 0.072 -9.724 8.357 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.053 -7.513 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 553 1.446 -6.485 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -0.114 -6.993 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 553 1.335 -7.996 9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 553 2.412 -7.609 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 553 2.401 -9.137 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.644 -9.056 5.530 1.00 0.00 H new ATOM 700 N ARG A 554 -2.549 -9.901 8.416 1.00 0.00 N ATOM 701 CA ARG A 554 -3.963 -9.785 8.748 1.00 0.00 C ATOM 702 C ARG A 554 -4.248 -8.553 9.609 1.00 0.00 C ATOM 703 O ARG A 554 -5.373 -8.058 9.560 1.00 0.00 O ATOM 704 CB ARG A 554 -4.455 -11.062 9.436 1.00 0.00 C ATOM 705 CG ARG A 554 -4.328 -12.327 8.569 1.00 0.00 C ATOM 706 CD ARG A 554 -5.046 -13.490 9.263 1.00 0.00 C ATOM 707 NE ARG A 554 -4.740 -14.785 8.645 1.00 0.00 N ATOM 708 CZ ARG A 554 -5.360 -15.946 8.885 1.00 0.00 C ATOM 709 NH1 ARG A 554 -6.452 -16.000 9.644 1.00 0.00 N ATOM 710 NH2 ARG A 554 -4.882 -17.056 8.343 1.00 0.00 N ATOM 0 H ARG A 554 -2.138 -10.785 8.714 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.513 -9.657 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.891 -11.207 10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.499 -10.931 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -4.762 -12.152 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -3.277 -12.573 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -4.759 -13.515 10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -6.122 -13.320 9.231 1.00 0.00 H new ATOM 0 HE ARG A 554 -3.980 -14.802 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -6.831 -15.146 10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -6.910 -16.895 9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -4.052 -17.018 7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -5.344 -17.949 8.517 1.00 0.00 H new ATOM 724 N ALA A 555 -3.255 -8.009 10.319 1.00 0.00 N ATOM 725 CA ALA A 555 -3.352 -6.739 11.026 1.00 0.00 C ATOM 726 C ALA A 555 -3.763 -5.595 10.097 1.00 0.00 C ATOM 727 O ALA A 555 -4.604 -4.765 10.457 1.00 0.00 O ATOM 728 CB ALA A 555 -2.007 -6.421 11.693 1.00 0.00 C ATOM 0 H ALA A 555 -2.342 -8.454 10.417 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.129 -6.835 11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.079 -5.471 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.755 -7.212 12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.230 -6.354 10.931 1.00 0.00 H new ATOM 734 N ILE A 556 -3.173 -5.510 8.907 1.00 0.00 N ATOM 735 CA ILE A 556 -3.533 -4.495 7.932 1.00 0.00 C ATOM 736 C ILE A 556 -4.906 -4.852 7.356 1.00 0.00 C ATOM 737 O ILE A 556 -5.752 -3.967 7.193 1.00 0.00 O ATOM 738 CB ILE A 556 -2.396 -4.399 6.898 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.208 -3.582 7.448 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.837 -3.727 5.589 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.627 -3.951 8.812 1.00 0.00 C ATOM 0 H ILE A 556 -2.435 -6.142 8.596 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.635 -3.499 8.363 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.105 -5.430 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.400 -3.643 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.519 -2.538 7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.994 -3.687 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.647 -4.302 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.183 -2.715 5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.199 -3.281 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -1.400 -3.857 9.574 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.265 -4.979 8.787 1.00 0.00 H new ATOM 753 N MET A 557 -5.172 -6.142 7.117 1.00 0.00 N ATOM 754 CA MET A 557 -6.438 -6.580 6.538 1.00 0.00 C ATOM 755 C MET A 557 -7.613 -6.252 7.444 1.00 0.00 C ATOM 756 O MET A 557 -8.671 -5.858 6.954 1.00 0.00 O ATOM 757 CB MET A 557 -6.403 -8.079 6.210 1.00 0.00 C ATOM 758 CG MET A 557 -5.185 -8.442 5.357 1.00 0.00 C ATOM 759 SD MET A 557 -4.853 -7.305 3.989 1.00 0.00 S ATOM 760 CE MET A 557 -6.451 -7.282 3.150 1.00 0.00 C ATOM 0 H MET A 557 -4.521 -6.901 7.319 1.00 0.00 H new ATOM 0 HA MET A 557 -6.578 -6.030 5.607 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.384 -8.654 7.136 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.314 -8.357 5.681 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.306 -8.481 6.001 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.328 -9.444 4.952 1.00 0.00 H new ATOM 0 HE1 MET A 557 -6.660 -6.274 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.428 -7.969 2.304 1.00 0.00 H new ATOM 0 HE3 MET A 557 -7.232 -7.589 3.846 1.00 0.00 H new ATOM 770 N ALA A 558 -7.406 -6.324 8.759 1.00 0.00 N ATOM 771 CA ALA A 558 -8.353 -5.883 9.762 1.00 0.00 C ATOM 772 C ALA A 558 -8.785 -4.447 9.497 1.00 0.00 C ATOM 773 O ALA A 558 -9.962 -4.137 9.628 1.00 0.00 O ATOM 774 CB ALA A 558 -7.715 -6.001 11.146 1.00 0.00 C ATOM 0 H ALA A 558 -6.548 -6.703 9.159 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.240 -6.515 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.425 -5.670 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -7.442 -7.040 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -6.822 -5.378 11.189 1.00 0.00 H new ATOM 780 N THR A 559 -7.866 -3.568 9.098 1.00 0.00 N ATOM 781 CA THR A 559 -8.191 -2.167 8.899 1.00 0.00 C ATOM 782 C THR A 559 -9.009 -1.975 7.621 1.00 0.00 C ATOM 783 O THR A 559 -9.933 -1.151 7.587 1.00 0.00 O ATOM 784 CB THR A 559 -6.901 -1.328 8.862 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.072 -1.640 9.967 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.307 0.147 8.939 1.00 0.00 C ATOM 0 H THR A 559 -6.893 -3.807 8.908 1.00 0.00 H new ATOM 0 HA THR A 559 -8.801 -1.826 9.735 1.00 0.00 H new ATOM 0 HB THR A 559 -6.347 -1.539 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 559 -5.796 -0.812 10.413 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.414 0.772 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 559 -7.945 0.393 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 559 -7.851 0.327 9.866 1.00 0.00 H new ATOM 794 N ILE A 560 -8.640 -2.686 6.555 1.00 0.00 N ATOM 795 CA ILE A 560 -9.239 -2.546 5.242 1.00 0.00 C ATOM 796 C ILE A 560 -10.600 -3.238 5.247 1.00 0.00 C ATOM 797 O ILE A 560 -11.601 -2.543 5.109 1.00 0.00 O ATOM 798 CB ILE A 560 -8.279 -3.079 4.165 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.956 -2.285 4.170 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.899 -2.933 2.767 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.834 -3.072 3.496 1.00 0.00 C ATOM 0 H ILE A 560 -7.901 -3.388 6.589 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.410 -1.497 4.998 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.092 -4.129 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.097 -1.335 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.673 -2.051 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.204 -3.316 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.830 -3.499 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.103 -1.881 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.915 -2.486 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.677 -4.010 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.108 -3.283 2.462 1.00 0.00 H new ATOM 813 N GLN A 561 -10.676 -4.561 5.431 1.00 0.00 N ATOM 814 CA GLN A 561 -11.935 -5.302 5.326 1.00 0.00 C ATOM 815 C GLN A 561 -13.003 -4.716 6.281 1.00 0.00 C ATOM 816 O GLN A 561 -14.196 -4.766 5.987 1.00 0.00 O ATOM 817 CB GLN A 561 -11.751 -6.776 5.727 1.00 0.00 C ATOM 818 CG GLN A 561 -10.767 -7.596 4.886 1.00 0.00 C ATOM 819 CD GLN A 561 -10.865 -9.074 5.248 1.00 0.00 C ATOM 820 OE1 GLN A 561 -10.051 -9.606 6.002 1.00 0.00 O ATOM 821 NE2 GLN A 561 -11.868 -9.773 4.742 1.00 0.00 N ATOM 0 H GLN A 561 -9.870 -5.144 5.656 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.252 -5.221 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.422 -6.808 6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.724 -7.265 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -10.982 -7.459 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -9.750 -7.240 5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -12.538 -9.324 4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -11.971 -10.760 4.976 1.00 0.00 H new ATOM 830 N ARG A 562 -12.599 -4.170 7.442 1.00 0.00 N ATOM 831 CA ARG A 562 -13.514 -3.526 8.391 1.00 0.00 C ATOM 832 C ARG A 562 -14.072 -2.228 7.829 1.00 0.00 C ATOM 833 O ARG A 562 -15.247 -1.945 8.036 1.00 0.00 O ATOM 834 CB ARG A 562 -12.794 -3.291 9.733 1.00 0.00 C ATOM 835 CG ARG A 562 -13.623 -2.627 10.844 1.00 0.00 C ATOM 836 CD ARG A 562 -13.495 -1.095 10.847 1.00 0.00 C ATOM 837 NE ARG A 562 -14.793 -0.415 10.980 1.00 0.00 N ATOM 838 CZ ARG A 562 -15.110 0.773 10.457 1.00 0.00 C ATOM 839 NH1 ARG A 562 -14.191 1.521 9.860 1.00 0.00 N ATOM 840 NH2 ARG A 562 -16.348 1.226 10.544 1.00 0.00 N ATOM 0 H ARG A 562 -11.625 -4.165 7.746 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.361 -4.190 8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.436 -4.252 10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -11.915 -2.673 9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.671 -2.899 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.304 -3.016 11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -12.845 -0.791 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -13.014 -0.773 9.923 1.00 0.00 H new ATOM 0 HE ARG A 562 -15.515 -0.893 11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -13.228 1.191 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -14.448 2.426 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -17.063 0.669 11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -16.588 2.133 10.144 1.00 0.00 H new ATOM 854 N LYS A 563 -13.243 -1.420 7.164 1.00 0.00 N ATOM 855 CA LYS A 563 -13.679 -0.219 6.465 1.00 0.00 C ATOM 856 C LYS A 563 -14.664 -0.643 5.380 1.00 0.00 C ATOM 857 O LYS A 563 -15.837 -0.281 5.399 1.00 0.00 O ATOM 858 CB LYS A 563 -12.445 0.474 5.853 1.00 0.00 C ATOM 859 CG LYS A 563 -12.625 1.971 5.601 1.00 0.00 C ATOM 860 CD LYS A 563 -12.166 2.829 6.786 1.00 0.00 C ATOM 861 CE LYS A 563 -10.647 2.755 7.012 1.00 0.00 C ATOM 862 NZ LYS A 563 -10.249 1.771 8.044 1.00 0.00 N ATOM 0 H LYS A 563 -12.239 -1.587 7.098 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.167 0.483 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.594 0.329 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.199 -0.014 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.063 2.256 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.675 2.177 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.454 3.866 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.681 2.501 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.160 2.499 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.283 3.741 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -9.445 2.144 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.049 1.597 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -9.973 0.879 7.585 1.00 0.00 H new ATOM 876 N TYR A 564 -14.161 -1.441 4.449 1.00 0.00 N ATOM 877 CA TYR A 564 -14.798 -1.851 3.220 1.00 0.00 C ATOM 878 C TYR A 564 -15.642 -3.087 3.524 1.00 0.00 C ATOM 879 O TYR A 564 -15.319 -4.183 3.074 1.00 0.00 O ATOM 880 CB TYR A 564 -13.679 -2.104 2.195 1.00 0.00 C ATOM 881 CG TYR A 564 -12.871 -0.861 1.847 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.403 0.087 0.960 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.617 -0.620 2.442 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.712 1.283 0.712 1.00 0.00 C ATOM 885 CE2 TYR A 564 -10.925 0.587 2.233 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.494 1.555 1.373 1.00 0.00 C ATOM 887 OH TYR A 564 -10.902 2.766 1.222 1.00 0.00 O ATOM 0 H TYR A 564 -13.229 -1.844 4.547 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.468 -1.100 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.005 -2.866 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.119 -2.507 1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.345 -0.104 0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.177 -1.379 3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.114 2.000 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -9.978 0.771 2.719 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.101 3.327 2.001 1.00 0.00 H new ATOM 897 N LYS A 565 -16.660 -2.932 4.379 1.00 0.00 N ATOM 898 CA LYS A 565 -17.381 -4.057 4.954 1.00 0.00 C ATOM 899 C LYS A 565 -17.950 -4.948 3.848 1.00 0.00 C ATOM 900 O LYS A 565 -18.270 -4.462 2.762 1.00 0.00 O ATOM 901 CB LYS A 565 -18.415 -3.559 5.975 1.00 0.00 C ATOM 902 CG LYS A 565 -19.786 -3.325 5.343 1.00 0.00 C ATOM 903 CD LYS A 565 -20.876 -2.934 6.341 1.00 0.00 C ATOM 904 CE LYS A 565 -21.405 -4.157 7.101 1.00 0.00 C ATOM 905 NZ LYS A 565 -22.625 -3.827 7.867 1.00 0.00 N ATOM 0 H LYS A 565 -17.001 -2.021 4.687 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.700 -4.696 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.508 -4.288 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.061 -2.631 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.698 -2.540 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.094 -4.232 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.479 -2.207 7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.697 -2.449 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -21.622 -4.960 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.636 -4.527 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -22.959 -4.674 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -22.411 -3.077 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -23.365 -3.497 7.215 1.00 0.00 H new ATOM 919 N GLY A 566 -18.156 -6.227 4.145 1.00 0.00 N ATOM 920 CA GLY A 566 -18.590 -7.204 3.167 1.00 0.00 C ATOM 921 C GLY A 566 -17.408 -8.067 2.762 1.00 0.00 C ATOM 922 O GLY A 566 -17.443 -9.284 2.938 1.00 0.00 O ATOM 0 H GLY A 566 -18.024 -6.612 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.383 -7.825 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.005 -6.702 2.293 1.00 0.00 H new ATOM 926 N ILE A 567 -16.372 -7.414 2.242 1.00 0.00 N ATOM 927 CA ILE A 567 -15.257 -7.990 1.506 1.00 0.00 C ATOM 928 C ILE A 567 -14.586 -9.166 2.252 1.00 0.00 C ATOM 929 O ILE A 567 -14.315 -9.071 3.456 1.00 0.00 O ATOM 930 CB ILE A 567 -14.316 -6.812 1.184 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.403 -7.108 -0.003 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.457 -6.394 2.379 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.211 -6.136 -0.080 1.00 0.00 C ATOM 0 H ILE A 567 -16.286 -6.402 2.331 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.587 -8.464 0.581 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.979 -5.986 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.031 -8.130 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.979 -7.046 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.815 -5.561 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.103 -6.088 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -12.840 -7.235 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.591 -6.388 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.580 -5.116 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.617 -6.216 0.830 1.00 0.00 H new ATOM 945 N LYS A 568 -14.240 -10.258 1.554 1.00 0.00 N ATOM 946 CA LYS A 568 -13.794 -11.513 2.196 1.00 0.00 C ATOM 947 C LYS A 568 -12.519 -12.106 1.578 1.00 0.00 C ATOM 948 O LYS A 568 -12.397 -13.322 1.440 1.00 0.00 O ATOM 949 CB LYS A 568 -14.965 -12.513 2.212 1.00 0.00 C ATOM 950 CG LYS A 568 -14.796 -13.597 3.298 1.00 0.00 C ATOM 951 CD LYS A 568 -15.641 -14.835 2.983 1.00 0.00 C ATOM 952 CE LYS A 568 -15.001 -15.723 1.903 1.00 0.00 C ATOM 953 NZ LYS A 568 -13.936 -16.610 2.415 1.00 0.00 N ATOM 0 H LYS A 568 -14.260 -10.301 0.535 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.506 -11.281 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -15.897 -11.974 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.046 -12.990 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -13.746 -13.880 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -15.087 -13.192 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -15.780 -15.418 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -16.631 -14.521 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -15.777 -16.332 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -14.586 -15.087 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -13.551 -17.178 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -13.176 -16.035 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -14.330 -17.242 3.141 1.00 0.00 H new ATOM 967 N ILE A 569 -11.536 -11.245 1.328 1.00 0.00 N ATOM 968 CA ILE A 569 -10.242 -11.473 0.677 1.00 0.00 C ATOM 969 C ILE A 569 -10.346 -12.151 -0.706 1.00 0.00 C ATOM 970 O ILE A 569 -11.269 -12.906 -1.011 1.00 0.00 O ATOM 971 CB ILE A 569 -9.209 -12.072 1.649 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.106 -11.284 2.976 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.811 -12.090 1.003 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.864 -9.777 2.812 1.00 0.00 C ATOM 0 H ILE A 569 -11.633 -10.268 1.604 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.837 -10.495 0.416 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.555 -13.082 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.026 -11.431 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.296 -11.705 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.092 -12.516 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.837 -12.694 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.513 -11.072 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.806 -9.309 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.928 -9.615 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.686 -9.336 2.248 1.00 0.00 H new ATOM 986 N GLN A 570 -9.444 -11.744 -1.599 1.00 0.00 N ATOM 987 CA GLN A 570 -9.508 -11.939 -3.036 1.00 0.00 C ATOM 988 C GLN A 570 -8.128 -11.527 -3.546 1.00 0.00 C ATOM 989 O GLN A 570 -7.625 -10.510 -3.088 1.00 0.00 O ATOM 990 CB GLN A 570 -10.626 -11.049 -3.627 1.00 0.00 C ATOM 991 CG GLN A 570 -10.731 -9.600 -3.089 1.00 0.00 C ATOM 992 CD GLN A 570 -11.404 -9.471 -1.725 1.00 0.00 C ATOM 993 OE1 GLN A 570 -12.417 -10.093 -1.433 1.00 0.00 O ATOM 994 NE2 GLN A 570 -10.848 -8.702 -0.794 1.00 0.00 N ATOM 0 H GLN A 570 -8.603 -11.241 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.743 -12.964 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -10.484 -11.000 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -11.581 -11.545 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -9.728 -9.178 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.285 -8.999 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -10.003 -8.172 -1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.266 -8.642 0.134 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.467 -12.289 -4.409 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.107 -11.977 -4.841 1.00 0.00 C ATOM 1005 C GLU A 571 -6.170 -11.213 -6.172 1.00 0.00 C ATOM 1006 O GLU A 571 -7.202 -11.224 -6.856 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.357 -13.307 -4.964 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.821 -13.223 -5.020 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.210 -14.348 -5.865 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.858 -15.407 -6.057 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.113 -14.128 -6.432 1.00 0.00 O ATOM 0 H GLU A 571 -7.854 -13.135 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.581 -11.339 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.634 -13.935 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.705 -13.813 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.526 -12.259 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.419 -13.272 -4.008 1.00 0.00 H new ATOM 1018 N GLY A 572 -5.062 -10.607 -6.591 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.997 -9.811 -7.807 1.00 0.00 C ATOM 1020 C GLY A 572 -5.320 -8.360 -7.503 1.00 0.00 C ATOM 1021 O GLY A 572 -5.244 -7.894 -6.366 1.00 0.00 O ATOM 0 H GLY A 572 -4.176 -10.657 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -4.002 -9.885 -8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.700 -10.201 -8.543 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.630 -7.611 -8.550 1.00 0.00 N ATOM 1026 CA ILE A 573 -6.191 -6.281 -8.446 1.00 0.00 C ATOM 1027 C ILE A 573 -7.546 -6.401 -7.741 1.00 0.00 C ATOM 1028 O ILE A 573 -8.474 -7.020 -8.262 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.254 -5.687 -9.863 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.831 -5.380 -10.383 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.150 -4.442 -9.950 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.122 -4.189 -9.735 1.00 0.00 C ATOM 0 H ILE A 573 -5.494 -7.920 -9.512 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.589 -5.597 -7.849 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.712 -6.441 -10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.214 -6.267 -10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.889 -5.203 -11.457 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.155 -4.068 -10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.166 -4.704 -9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.766 -3.670 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.133 -4.069 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.706 -3.284 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.021 -4.364 -8.664 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.643 -5.804 -6.557 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.858 -5.742 -5.752 1.00 0.00 C ATOM 1046 C VAL A 574 -9.383 -4.322 -5.842 1.00 0.00 C ATOM 1047 O VAL A 574 -9.047 -3.461 -5.032 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.597 -6.183 -4.295 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.876 -6.149 -3.442 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -7.989 -7.580 -4.215 1.00 0.00 C ATOM 0 H VAL A 574 -6.852 -5.335 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.607 -6.437 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.883 -5.462 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.644 -6.467 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -10.274 -5.134 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.618 -6.822 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.824 -7.846 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -8.670 -8.300 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.038 -7.594 -4.748 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.217 -4.083 -6.841 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.084 -2.917 -6.870 1.00 0.00 C ATOM 1062 C ASP A 575 -12.219 -3.174 -5.875 1.00 0.00 C ATOM 1063 O ASP A 575 -13.162 -3.910 -6.175 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.564 -2.696 -8.303 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.267 -1.347 -8.496 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -11.619 -0.299 -8.270 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -13.397 -1.304 -9.037 1.00 0.00 O ATOM 0 H ASP A 575 -10.312 -4.692 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.574 -2.001 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.711 -2.756 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.247 -3.499 -8.580 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.077 -2.662 -4.649 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.138 -2.668 -3.643 1.00 0.00 C ATOM 1074 C TYR A 576 -13.034 -1.366 -2.851 1.00 0.00 C ATOM 1075 O TYR A 576 -12.378 -1.317 -1.808 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.112 -3.943 -2.759 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.454 -4.280 -2.134 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -14.959 -3.493 -1.086 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.189 -5.398 -2.568 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.159 -3.843 -0.441 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.405 -5.742 -1.950 1.00 0.00 C ATOM 1082 CZ TYR A 576 -16.894 -4.965 -0.875 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.067 -5.278 -0.261 1.00 0.00 O ATOM 0 H TYR A 576 -11.213 -2.228 -4.326 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.115 -2.710 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.781 -4.787 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.375 -3.810 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.421 -2.611 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.816 -5.999 -3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.518 -3.251 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.964 -6.599 -2.296 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.035 -4.987 0.674 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.623 -0.284 -3.366 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.702 1.019 -2.708 1.00 0.00 C ATOM 1095 C GLY A 577 -12.391 1.814 -2.732 1.00 0.00 C ATOM 1096 O GLY A 577 -12.413 3.045 -2.717 1.00 0.00 O ATOM 0 H GLY A 577 -14.072 -0.293 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.481 1.610 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -14.007 0.873 -1.672 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.246 1.148 -2.821 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.961 1.638 -3.304 1.00 0.00 C ATOM 1102 C VAL A 578 -9.461 0.522 -4.221 1.00 0.00 C ATOM 1103 O VAL A 578 -9.824 -0.646 -4.030 1.00 0.00 O ATOM 1104 CB VAL A 578 -9.024 1.960 -2.110 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.526 1.922 -2.449 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.324 3.349 -1.530 1.00 0.00 C ATOM 0 H VAL A 578 -11.188 0.171 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 578 -10.015 2.578 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.231 1.169 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.945 2.159 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.258 0.926 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.310 2.654 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.652 3.547 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -9.177 4.105 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.356 3.382 -1.181 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.659 0.867 -5.232 1.00 0.00 N ATOM 1117 CA ARG A 579 -8.008 -0.140 -6.050 1.00 0.00 C ATOM 1118 C ARG A 579 -6.773 -0.607 -5.296 1.00 0.00 C ATOM 1119 O ARG A 579 -5.769 0.106 -5.241 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.699 0.373 -7.468 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.865 -0.804 -8.447 1.00 0.00 C ATOM 1122 CD ARG A 579 -7.001 -0.746 -9.706 1.00 0.00 C ATOM 1123 NE ARG A 579 -7.286 0.365 -10.625 1.00 0.00 N ATOM 1124 CZ ARG A 579 -6.497 0.667 -11.667 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -5.386 -0.036 -11.886 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -6.806 1.653 -12.494 1.00 0.00 N ATOM 0 H ARG A 579 -8.451 1.830 -5.496 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.673 -0.988 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.373 1.188 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.685 0.769 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -7.639 -1.729 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.911 -0.857 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -5.955 -0.684 -9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -7.121 -1.683 -10.250 1.00 0.00 H new ATOM 0 HE ARG A 579 -8.119 0.931 -10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -5.136 -0.803 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -4.785 0.193 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -7.656 2.197 -12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -6.194 1.869 -13.281 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.848 -1.772 -4.671 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.702 -2.417 -4.067 1.00 0.00 C ATOM 1142 C PHE A 580 -5.087 -3.421 -5.052 1.00 0.00 C ATOM 1143 O PHE A 580 -5.675 -3.732 -6.089 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.121 -3.088 -2.754 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.732 -2.183 -1.695 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.903 -1.512 -0.780 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.129 -2.040 -1.589 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.447 -0.755 0.267 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.682 -1.254 -0.559 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.839 -0.611 0.369 1.00 0.00 C ATOM 0 H PHE A 580 -7.716 -2.298 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.938 -1.675 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -6.839 -3.874 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.245 -3.573 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.830 -1.581 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.777 -2.533 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.798 -0.285 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.754 -1.144 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.264 -0.008 1.158 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.916 -3.960 -4.711 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.231 -5.047 -5.408 1.00 0.00 C ATOM 1162 C PHE A 581 -2.812 -6.034 -4.326 1.00 0.00 C ATOM 1163 O PHE A 581 -1.941 -5.724 -3.512 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.064 -4.483 -6.240 1.00 0.00 C ATOM 1165 CG PHE A 581 -0.999 -5.451 -6.741 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.219 -6.235 -7.891 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.272 -5.469 -6.132 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.161 -6.994 -8.433 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.329 -6.232 -6.661 1.00 0.00 C ATOM 1170 CZ PHE A 581 1.106 -6.987 -7.820 1.00 0.00 C ATOM 0 H PHE A 581 -3.393 -3.632 -3.899 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.862 -5.564 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.488 -3.978 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.565 -3.722 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.194 -6.255 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.438 -4.884 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.324 -7.584 -9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.297 -6.236 -6.181 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.911 -7.567 -8.246 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.525 -7.152 -4.235 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.274 -8.239 -3.305 1.00 0.00 C ATOM 1182 C PHE A 582 -2.452 -9.307 -4.025 1.00 0.00 C ATOM 1183 O PHE A 582 -2.614 -9.526 -5.228 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.604 -8.805 -2.773 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.395 -7.945 -1.789 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.065 -6.600 -1.516 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.500 -8.511 -1.120 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.869 -5.826 -0.662 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.332 -7.723 -0.312 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.012 -6.379 -0.077 1.00 0.00 C ATOM 0 H PHE A 582 -4.329 -7.330 -4.837 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.713 -7.881 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.246 -9.014 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.394 -9.760 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.187 -6.162 -1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.708 -9.565 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.603 -4.800 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.220 -8.152 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.646 -5.773 0.553 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.566 -9.962 -3.283 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.505 -10.819 -3.793 1.00 0.00 C ATOM 1202 C TYR A 583 -0.145 -11.865 -2.732 1.00 0.00 C ATOM 1203 O TYR A 583 -0.645 -11.829 -1.605 1.00 0.00 O ATOM 1204 CB TYR A 583 0.703 -9.950 -4.193 1.00 0.00 C ATOM 1205 CG TYR A 583 1.172 -8.978 -3.123 1.00 0.00 C ATOM 1206 CD1 TYR A 583 2.027 -9.410 -2.089 1.00 0.00 C ATOM 1207 CD2 TYR A 583 0.734 -7.639 -3.148 1.00 0.00 C ATOM 1208 CE1 TYR A 583 2.419 -8.517 -1.074 1.00 0.00 C ATOM 1209 CE2 TYR A 583 1.105 -6.757 -2.127 1.00 0.00 C ATOM 1210 CZ TYR A 583 1.945 -7.187 -1.084 1.00 0.00 C ATOM 1211 OH TYR A 583 2.305 -6.295 -0.124 1.00 0.00 O ATOM 0 H TYR A 583 -1.569 -9.907 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.835 -11.354 -4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.533 -10.606 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.445 -9.385 -5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.383 -10.430 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 583 0.110 -7.292 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 583 3.082 -8.849 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 583 0.744 -5.739 -2.140 1.00 0.00 H new ATOM 0 HH TYR A 583 1.878 -5.431 -0.303 1.00 0.00 H new ATOM 1221 N THR A 584 0.713 -12.821 -3.082 1.00 0.00 N ATOM 1222 CA THR A 584 0.908 -14.025 -2.284 1.00 0.00 C ATOM 1223 C THR A 584 2.120 -13.872 -1.369 1.00 0.00 C ATOM 1224 O THR A 584 3.229 -13.645 -1.846 1.00 0.00 O ATOM 1225 CB THR A 584 1.005 -15.242 -3.224 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.853 -15.026 -4.342 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.373 -15.587 -3.796 1.00 0.00 C ATOM 0 H THR A 584 1.289 -12.782 -3.923 1.00 0.00 H new ATOM 0 HA THR A 584 0.055 -14.186 -1.625 1.00 0.00 H new ATOM 0 HB THR A 584 1.414 -16.043 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 584 2.423 -14.246 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.287 -16.449 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.057 -15.823 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.758 -14.735 -4.357 1.00 0.00 H new ATOM 1235 N SER A 585 1.944 -14.034 -0.055 1.00 0.00 N ATOM 1236 CA SER A 585 3.039 -13.959 0.908 1.00 0.00 C ATOM 1237 C SER A 585 4.144 -14.986 0.658 1.00 0.00 C ATOM 1238 O SER A 585 5.288 -14.751 1.060 1.00 0.00 O ATOM 1239 CB SER A 585 2.514 -14.101 2.337 1.00 0.00 C ATOM 1240 OG SER A 585 1.438 -15.023 2.461 1.00 0.00 O ATOM 0 H SER A 585 1.035 -14.221 0.369 1.00 0.00 H new ATOM 0 HA SER A 585 3.486 -12.974 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 585 3.331 -14.420 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.187 -13.124 2.693 1.00 0.00 H new ATOM 0 HG SER A 585 1.375 -15.329 3.390 1.00 0.00 H new ATOM 1246 N LYS A 586 3.836 -16.105 -0.001 1.00 0.00 N ATOM 1247 CA LYS A 586 4.835 -17.088 -0.386 1.00 0.00 C ATOM 1248 C LYS A 586 5.785 -16.564 -1.444 1.00 0.00 C ATOM 1249 O LYS A 586 6.888 -17.114 -1.534 1.00 0.00 O ATOM 1250 CB LYS A 586 4.154 -18.357 -0.907 1.00 0.00 C ATOM 1251 CG LYS A 586 3.576 -19.212 0.224 1.00 0.00 C ATOM 1252 CD LYS A 586 4.577 -20.208 0.828 1.00 0.00 C ATOM 1253 CE LYS A 586 5.569 -19.530 1.780 1.00 0.00 C ATOM 1254 NZ LYS A 586 6.356 -20.499 2.567 1.00 0.00 N ATOM 0 H LYS A 586 2.886 -16.350 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 586 5.418 -17.311 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.355 -18.082 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.874 -18.947 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 586 3.212 -18.554 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 586 2.715 -19.763 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 586 4.034 -20.985 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 586 5.126 -20.700 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 586 6.247 -18.900 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 586 5.024 -18.874 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 7.010 -19.988 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 5.714 -21.084 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 6.899 -21.109 1.923 1.00 0.00 H new ATOM 1268 N GLU A 587 5.395 -15.572 -2.245 1.00 0.00 N ATOM 1269 CA GLU A 587 6.297 -15.054 -3.257 1.00 0.00 C ATOM 1270 C GLU A 587 7.318 -14.101 -2.611 1.00 0.00 C ATOM 1271 O GLU A 587 7.153 -13.672 -1.466 1.00 0.00 O ATOM 1272 CB GLU A 587 5.528 -14.451 -4.438 1.00 0.00 C ATOM 1273 CG GLU A 587 5.264 -12.958 -4.336 1.00 0.00 C ATOM 1274 CD GLU A 587 4.176 -12.621 -5.346 1.00 0.00 C ATOM 1275 OE1 GLU A 587 4.539 -12.392 -6.529 1.00 0.00 O ATOM 1276 OE2 GLU A 587 2.976 -12.661 -4.998 1.00 0.00 O ATOM 0 H GLU A 587 4.480 -15.123 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 587 6.871 -15.873 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 587 6.087 -14.644 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.573 -14.968 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 587 4.948 -12.692 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.172 -12.392 -4.546 1.00 0.00 H new ATOM 1283 N PRO A 588 8.415 -13.787 -3.308 1.00 0.00 N ATOM 1284 CA PRO A 588 9.447 -12.896 -2.823 1.00 0.00 C ATOM 1285 C PRO A 588 9.061 -11.438 -3.066 1.00 0.00 C ATOM 1286 O PRO A 588 8.379 -11.094 -4.029 1.00 0.00 O ATOM 1287 CB PRO A 588 10.703 -13.312 -3.596 1.00 0.00 C ATOM 1288 CG PRO A 588 10.211 -13.971 -4.882 1.00 0.00 C ATOM 1289 CD PRO A 588 8.756 -14.336 -4.600 1.00 0.00 C ATOM 0 HA PRO A 588 9.605 -12.968 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.329 -12.447 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.309 -14.004 -3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.291 -13.292 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.801 -14.855 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.102 -13.932 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.624 -15.418 -4.604 1.00 0.00 H new ATOM 1297 N VAL A 589 9.623 -10.556 -2.252 1.00 0.00 N ATOM 1298 CA VAL A 589 9.654 -9.113 -2.462 1.00 0.00 C ATOM 1299 C VAL A 589 10.269 -8.772 -3.817 1.00 0.00 C ATOM 1300 O VAL A 589 9.781 -7.949 -4.585 1.00 0.00 O ATOM 1301 CB VAL A 589 10.323 -8.491 -1.242 1.00 0.00 C ATOM 1302 CG1 VAL A 589 11.794 -8.681 -1.148 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.098 -6.980 -1.098 1.00 0.00 C ATOM 0 H VAL A 589 10.090 -10.837 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 589 8.657 -8.678 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 589 9.824 -9.045 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 589 12.166 -8.199 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 589 12.022 -9.746 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 589 12.275 -8.237 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.608 -6.620 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 589 10.496 -6.468 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 589 9.030 -6.778 -1.013 1.00 0.00 H new ATOM 1313 N ALA A 590 11.290 -9.540 -4.153 1.00 0.00 N ATOM 1314 CA ALA A 590 11.895 -9.519 -5.478 1.00 0.00 C ATOM 1315 C ALA A 590 10.876 -9.753 -6.614 1.00 0.00 C ATOM 1316 O ALA A 590 11.009 -9.150 -7.677 1.00 0.00 O ATOM 1317 CB ALA A 590 13.016 -10.555 -5.539 1.00 0.00 C ATOM 0 H ALA A 590 11.728 -10.201 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 590 12.299 -8.519 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.470 -10.541 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.771 -10.318 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.607 -11.546 -5.341 1.00 0.00 H new ATOM 1323 N SER A 591 9.864 -10.610 -6.417 1.00 0.00 N ATOM 1324 CA SER A 591 8.837 -10.861 -7.430 1.00 0.00 C ATOM 1325 C SER A 591 7.957 -9.638 -7.556 1.00 0.00 C ATOM 1326 O SER A 591 7.779 -9.143 -8.671 1.00 0.00 O ATOM 1327 CB SER A 591 7.983 -12.089 -7.078 1.00 0.00 C ATOM 1328 OG SER A 591 6.869 -12.301 -7.931 1.00 0.00 O ATOM 0 H SER A 591 9.737 -11.143 -5.557 1.00 0.00 H new ATOM 0 HA SER A 591 9.332 -11.066 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.617 -12.975 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.624 -11.984 -6.054 1.00 0.00 H new ATOM 0 HG SER A 591 6.040 -12.203 -7.417 1.00 0.00 H new ATOM 1334 N ILE A 592 7.357 -9.200 -6.447 1.00 0.00 N ATOM 1335 CA ILE A 592 6.290 -8.218 -6.513 1.00 0.00 C ATOM 1336 C ILE A 592 6.824 -6.927 -7.131 1.00 0.00 C ATOM 1337 O ILE A 592 6.177 -6.401 -8.021 1.00 0.00 O ATOM 1338 CB ILE A 592 5.584 -8.061 -5.151 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.475 -7.443 -4.065 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.122 -9.437 -4.636 1.00 0.00 C ATOM 1341 CD1 ILE A 592 6.379 -5.918 -3.970 1.00 0.00 C ATOM 0 H ILE A 592 7.594 -9.510 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 592 5.496 -8.560 -7.177 1.00 0.00 H new ATOM 0 HB ILE A 592 4.746 -7.388 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.206 -7.874 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.511 -7.720 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.624 -9.317 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.428 -9.879 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 592 5.986 -10.090 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 592 7.039 -5.560 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.678 -5.475 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 592 5.352 -5.632 -3.743 1.00 0.00 H new ATOM 1353 N ILE A 593 8.045 -6.492 -6.795 1.00 0.00 N ATOM 1354 CA ILE A 593 8.687 -5.315 -7.394 1.00 0.00 C ATOM 1355 C ILE A 593 8.628 -5.430 -8.923 1.00 0.00 C ATOM 1356 O ILE A 593 8.021 -4.597 -9.591 1.00 0.00 O ATOM 1357 CB ILE A 593 10.127 -5.196 -6.844 1.00 0.00 C ATOM 1358 CG1 ILE A 593 10.073 -4.812 -5.344 1.00 0.00 C ATOM 1359 CG2 ILE A 593 11.007 -4.177 -7.597 1.00 0.00 C ATOM 1360 CD1 ILE A 593 11.441 -4.861 -4.663 1.00 0.00 C ATOM 0 H ILE A 593 8.622 -6.953 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 593 8.164 -4.397 -7.127 1.00 0.00 H new ATOM 0 HB ILE A 593 10.591 -6.171 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.661 -3.807 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 593 9.392 -5.487 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 593 12.001 -4.154 -7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.087 -4.469 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.556 -3.187 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 593 11.336 -4.582 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.845 -5.871 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 593 12.119 -4.165 -5.158 1.00 0.00 H new ATOM 1372 N THR A 594 9.191 -6.508 -9.466 1.00 0.00 N ATOM 1373 CA THR A 594 9.183 -6.870 -10.879 1.00 0.00 C ATOM 1374 C THR A 594 7.769 -6.891 -11.501 1.00 0.00 C ATOM 1375 O THR A 594 7.620 -6.744 -12.716 1.00 0.00 O ATOM 1376 CB THR A 594 9.958 -8.193 -10.956 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.344 -7.905 -11.001 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.542 -9.141 -12.076 1.00 0.00 C ATOM 0 H THR A 594 9.693 -7.190 -8.898 1.00 0.00 H new ATOM 0 HA THR A 594 9.669 -6.117 -11.499 1.00 0.00 H new ATOM 0 HB THR A 594 9.705 -8.751 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.851 -8.742 -11.049 1.00 0.00 H new ATOM 0 HG21 THR A 594 10.154 -10.042 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.493 -9.409 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 594 9.682 -8.650 -13.039 1.00 0.00 H new ATOM 1386 N LYS A 595 6.725 -7.057 -10.693 1.00 0.00 N ATOM 1387 CA LYS A 595 5.319 -7.098 -11.093 1.00 0.00 C ATOM 1388 C LYS A 595 4.723 -5.694 -11.123 1.00 0.00 C ATOM 1389 O LYS A 595 4.085 -5.348 -12.112 1.00 0.00 O ATOM 1390 CB LYS A 595 4.524 -8.029 -10.156 1.00 0.00 C ATOM 1391 CG LYS A 595 3.332 -8.677 -10.877 1.00 0.00 C ATOM 1392 CD LYS A 595 2.741 -9.837 -10.057 1.00 0.00 C ATOM 1393 CE LYS A 595 1.808 -10.738 -10.869 1.00 0.00 C ATOM 1394 NZ LYS A 595 2.548 -11.679 -11.735 1.00 0.00 N ATOM 0 H LYS A 595 6.843 -7.173 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 595 5.254 -7.502 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.183 -8.807 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 595 4.165 -7.461 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 595 2.562 -7.927 -11.056 1.00 0.00 H new ATOM 0 HG3 LYS A 595 3.651 -9.045 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.555 -10.439 -9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.193 -9.430 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 595 1.168 -11.300 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 595 1.154 -10.120 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 1.873 -12.267 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 3.140 -11.144 -12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 3.153 -12.289 -11.148 1.00 0.00 H new ATOM 1408 N LEU A 596 4.975 -4.856 -10.108 1.00 0.00 N ATOM 1409 CA LEU A 596 4.494 -3.475 -10.073 1.00 0.00 C ATOM 1410 C LEU A 596 4.956 -2.724 -11.318 1.00 0.00 C ATOM 1411 O LEU A 596 4.212 -1.946 -11.908 1.00 0.00 O ATOM 1412 CB LEU A 596 4.994 -2.739 -8.813 1.00 0.00 C ATOM 1413 CG LEU A 596 4.230 -2.977 -7.494 1.00 0.00 C ATOM 1414 CD1 LEU A 596 2.708 -2.981 -7.654 1.00 0.00 C ATOM 1415 CD2 LEU A 596 4.647 -4.233 -6.754 1.00 0.00 C ATOM 0 H LEU A 596 5.520 -5.121 -9.288 1.00 0.00 H new ATOM 0 HA LEU A 596 3.405 -3.504 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.035 -3.018 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.979 -1.669 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 596 4.516 -2.114 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 596 2.241 -3.154 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.381 -2.019 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 596 2.417 -3.773 -8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 596 4.063 -4.327 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 596 4.472 -5.103 -7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 596 5.706 -4.173 -6.504 1.00 0.00 H new ATOM 1427 N ASN A 597 6.175 -2.996 -11.769 1.00 0.00 N ATOM 1428 CA ASN A 597 6.740 -2.354 -12.951 1.00 0.00 C ATOM 1429 C ASN A 597 5.951 -2.651 -14.226 1.00 0.00 C ATOM 1430 O ASN A 597 6.014 -1.884 -15.182 1.00 0.00 O ATOM 1431 CB ASN A 597 8.155 -2.852 -13.180 1.00 0.00 C ATOM 1432 CG ASN A 597 9.045 -2.811 -11.953 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.027 -1.885 -11.147 1.00 0.00 O ATOM 1434 ND2 ASN A 597 9.865 -3.834 -11.838 1.00 0.00 N ATOM 0 H ASN A 597 6.801 -3.669 -11.325 1.00 0.00 H new ATOM 0 HA ASN A 597 6.708 -1.282 -12.756 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.110 -3.878 -13.546 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.614 -2.253 -13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.519 -3.878 -11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 597 9.847 -4.583 -12.531 1.00 0.00 H new ATOM 1441 N SER A 598 5.240 -3.777 -14.276 1.00 0.00 N ATOM 1442 CA SER A 598 4.361 -4.113 -15.381 1.00 0.00 C ATOM 1443 C SER A 598 3.101 -3.233 -15.385 1.00 0.00 C ATOM 1444 O SER A 598 2.527 -3.025 -16.458 1.00 0.00 O ATOM 1445 CB SER A 598 4.004 -5.603 -15.290 1.00 0.00 C ATOM 1446 OG SER A 598 4.457 -6.288 -16.441 1.00 0.00 O ATOM 0 H SER A 598 5.262 -4.484 -13.541 1.00 0.00 H new ATOM 0 HA SER A 598 4.875 -3.921 -16.323 1.00 0.00 H new ATOM 0 HB2 SER A 598 4.455 -6.038 -14.398 1.00 0.00 H new ATOM 0 HB3 SER A 598 2.925 -5.720 -15.190 1.00 0.00 H new ATOM 0 HG SER A 598 4.224 -7.237 -16.369 1.00 0.00 H new ATOM 1452 N LEU A 599 2.683 -2.706 -14.228 1.00 0.00 N ATOM 1453 CA LEU A 599 1.511 -1.863 -14.040 1.00 0.00 C ATOM 1454 C LEU A 599 1.907 -0.420 -14.344 1.00 0.00 C ATOM 1455 O LEU A 599 1.212 0.254 -15.099 1.00 0.00 O ATOM 1456 CB LEU A 599 0.981 -2.002 -12.597 1.00 0.00 C ATOM 1457 CG LEU A 599 0.589 -3.439 -12.194 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.345 -3.516 -10.688 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.676 -3.890 -12.925 1.00 0.00 C ATOM 0 H LEU A 599 3.185 -2.869 -13.355 1.00 0.00 H new ATOM 0 HA LEU A 599 0.711 -2.169 -14.713 1.00 0.00 H new ATOM 0 HB2 LEU A 599 1.743 -1.640 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.112 -1.355 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 599 1.412 -4.097 -12.471 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.069 -4.535 -10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.254 -3.232 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.462 -2.836 -10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.929 -4.906 -12.622 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -1.499 -3.221 -12.674 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -0.503 -3.865 -14.001 1.00 0.00 H new ATOM 1471 N ASN A 600 3.059 0.045 -13.839 1.00 0.00 N ATOM 1472 CA ASN A 600 3.641 1.386 -14.061 1.00 0.00 C ATOM 1473 C ASN A 600 2.890 2.499 -13.360 1.00 0.00 C ATOM 1474 O ASN A 600 3.283 3.666 -13.460 1.00 0.00 O ATOM 1475 CB ASN A 600 3.809 1.746 -15.553 1.00 0.00 C ATOM 1476 CG ASN A 600 4.680 0.748 -16.271 1.00 0.00 C ATOM 1477 OD1 ASN A 600 5.889 0.922 -16.331 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.120 -0.309 -16.826 1.00 0.00 N ATOM 0 H ASN A 600 3.644 -0.530 -13.233 1.00 0.00 H new ATOM 0 HA ASN A 600 4.631 1.309 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 600 2.830 1.785 -16.031 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.246 2.741 -15.641 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.697 -0.995 -17.313 1.00 0.00 H new ATOM 0 HD22 ASN A 600 3.110 -0.441 -16.768 1.00 0.00 H new ATOM 1485 N GLU A 601 1.817 2.150 -12.668 1.00 0.00 N ATOM 1486 CA GLU A 601 0.906 3.094 -12.099 1.00 0.00 C ATOM 1487 C GLU A 601 1.507 3.684 -10.817 1.00 0.00 C ATOM 1488 O GLU A 601 2.314 3.022 -10.159 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.421 2.397 -11.781 1.00 0.00 C ATOM 1490 CG GLU A 601 -1.027 1.540 -12.899 1.00 0.00 C ATOM 1491 CD GLU A 601 -2.446 1.084 -12.532 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.788 1.016 -11.330 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -3.270 0.816 -13.437 1.00 0.00 O ATOM 0 H GLU A 601 1.562 1.179 -12.490 1.00 0.00 H new ATOM 0 HA GLU A 601 0.726 3.900 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -0.273 1.763 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -1.149 3.159 -11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -1.053 2.111 -13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -0.396 0.670 -13.078 1.00 0.00 H new ATOM 1500 N PRO A 602 1.105 4.899 -10.427 1.00 0.00 N ATOM 1501 CA PRO A 602 1.579 5.553 -9.219 1.00 0.00 C ATOM 1502 C PRO A 602 1.034 4.862 -7.973 1.00 0.00 C ATOM 1503 O PRO A 602 -0.157 4.927 -7.683 1.00 0.00 O ATOM 1504 CB PRO A 602 1.126 7.002 -9.332 1.00 0.00 C ATOM 1505 CG PRO A 602 -0.033 6.989 -10.334 1.00 0.00 C ATOM 1506 CD PRO A 602 0.193 5.740 -11.177 1.00 0.00 C ATOM 0 HA PRO A 602 2.663 5.499 -9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.805 7.390 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.938 7.642 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.996 6.953 -9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 602 -0.032 7.888 -10.951 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.748 5.222 -11.364 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.613 5.998 -12.149 1.00 0.00 H new ATOM 1514 N LEU A 603 1.905 4.190 -7.229 1.00 0.00 N ATOM 1515 CA LEU A 603 1.482 3.453 -6.043 1.00 0.00 C ATOM 1516 C LEU A 603 1.377 4.382 -4.836 1.00 0.00 C ATOM 1517 O LEU A 603 1.986 5.456 -4.798 1.00 0.00 O ATOM 1518 CB LEU A 603 2.457 2.308 -5.725 1.00 0.00 C ATOM 1519 CG LEU A 603 2.779 1.407 -6.925 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.850 0.393 -6.542 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.531 0.696 -7.439 1.00 0.00 C ATOM 0 H LEU A 603 2.905 4.140 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 603 0.500 3.030 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.386 2.732 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.034 1.696 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 603 3.155 2.037 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.073 -0.242 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.755 0.918 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.490 -0.223 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.795 0.066 -8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.112 0.077 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.793 1.435 -7.751 1.00 0.00 H new ATOM 1533 N VAL A 604 0.701 3.909 -3.794 1.00 0.00 N ATOM 1534 CA VAL A 604 0.856 4.386 -2.430 1.00 0.00 C ATOM 1535 C VAL A 604 0.861 3.119 -1.555 1.00 0.00 C ATOM 1536 O VAL A 604 -0.129 2.391 -1.525 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.227 5.460 -2.114 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.658 4.910 -2.050 1.00 0.00 C ATOM 1539 CG2 VAL A 604 0.101 6.242 -0.834 1.00 0.00 C ATOM 0 H VAL A 604 0.012 3.162 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 604 1.785 4.923 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 604 -0.197 6.141 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.350 5.722 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.920 4.465 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.722 4.152 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.679 6.981 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 604 0.156 5.553 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 604 1.059 6.748 -0.952 1.00 0.00 H new ATOM 1549 N THR A 605 1.985 2.751 -0.933 1.00 0.00 N ATOM 1550 CA THR A 605 2.034 1.601 -0.020 1.00 0.00 C ATOM 1551 C THR A 605 3.208 1.760 0.960 1.00 0.00 C ATOM 1552 O THR A 605 3.580 2.883 1.297 1.00 0.00 O ATOM 1553 CB THR A 605 1.978 0.263 -0.804 1.00 0.00 C ATOM 1554 OG1 THR A 605 1.794 -0.850 0.053 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.187 0.003 -1.700 1.00 0.00 C ATOM 0 H THR A 605 2.877 3.233 -1.045 1.00 0.00 H new ATOM 0 HA THR A 605 1.143 1.570 0.608 1.00 0.00 H new ATOM 0 HB THR A 605 1.111 0.379 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.169 -1.481 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.064 -0.953 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.270 0.800 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.091 -0.024 -1.092 1.00 0.00 H new ATOM 1563 N MET A 606 3.695 0.657 1.525 1.00 0.00 N ATOM 1564 CA MET A 606 4.729 0.538 2.549 1.00 0.00 C ATOM 1565 C MET A 606 5.894 -0.307 2.025 1.00 0.00 C ATOM 1566 O MET A 606 5.864 -0.717 0.863 1.00 0.00 O ATOM 1567 CB MET A 606 4.106 -0.062 3.821 1.00 0.00 C ATOM 1568 CG MET A 606 2.653 0.348 4.027 1.00 0.00 C ATOM 1569 SD MET A 606 1.456 -0.856 3.393 1.00 0.00 S ATOM 1570 CE MET A 606 0.041 0.224 3.136 1.00 0.00 C ATOM 0 H MET A 606 3.343 -0.260 1.252 1.00 0.00 H new ATOM 0 HA MET A 606 5.132 1.520 2.796 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.166 -1.149 3.770 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.691 0.249 4.686 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.475 0.497 5.092 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.483 1.307 3.538 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.858 -0.379 3.004 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.082 0.875 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.204 0.832 2.246 1.00 0.00 H new ATOM 1580 N PRO A 607 6.949 -0.555 2.819 1.00 0.00 N ATOM 1581 CA PRO A 607 8.140 -1.241 2.346 1.00 0.00 C ATOM 1582 C PRO A 607 8.019 -2.727 2.055 1.00 0.00 C ATOM 1583 O PRO A 607 9.002 -3.348 1.656 1.00 0.00 O ATOM 1584 CB PRO A 607 9.238 -0.911 3.359 1.00 0.00 C ATOM 1585 CG PRO A 607 8.702 0.207 4.238 1.00 0.00 C ATOM 1586 CD PRO A 607 7.200 0.039 4.118 1.00 0.00 C ATOM 0 HA PRO A 607 8.368 -0.875 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.488 -1.787 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 607 10.151 -0.600 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 607 9.039 0.107 5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.028 1.187 3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.817 -0.598 4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 607 6.695 1.001 4.208 1.00 0.00 H new ATOM 1594 N ILE A 608 6.814 -3.263 2.186 1.00 0.00 N ATOM 1595 CA ILE A 608 6.343 -4.578 1.810 1.00 0.00 C ATOM 1596 C ILE A 608 7.179 -5.706 2.411 1.00 0.00 C ATOM 1597 O ILE A 608 6.788 -6.292 3.422 1.00 0.00 O ATOM 1598 CB ILE A 608 6.060 -4.669 0.290 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.850 -3.784 -0.077 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.753 -6.113 -0.163 1.00 0.00 C ATOM 1601 CD1 ILE A 608 4.898 -3.274 -1.514 1.00 0.00 C ATOM 0 H ILE A 608 6.061 -2.719 2.607 1.00 0.00 H new ATOM 0 HA ILE A 608 5.369 -4.736 2.273 1.00 0.00 H new ATOM 0 HB ILE A 608 6.962 -4.327 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.932 -4.354 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.809 -2.933 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.561 -6.125 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.606 -6.754 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.874 -6.481 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 608 4.020 -2.658 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 608 5.799 -2.678 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 608 4.909 -4.121 -2.200 1.00 0.00 H new ATOM 1613 N GLY A 609 8.326 -6.013 1.805 1.00 0.00 N ATOM 1614 CA GLY A 609 9.348 -6.897 2.331 1.00 0.00 C ATOM 1615 C GLY A 609 9.984 -6.241 3.542 1.00 0.00 C ATOM 1616 O GLY A 609 11.111 -5.792 3.463 1.00 0.00 O ATOM 0 H GLY A 609 8.572 -5.631 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.911 -7.857 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 609 10.102 -7.097 1.570 1.00 0.00 H new ATOM 1620 N TYR A 610 9.247 -6.151 4.639 1.00 0.00 N ATOM 1621 CA TYR A 610 9.614 -5.591 5.926 1.00 0.00 C ATOM 1622 C TYR A 610 9.150 -6.557 7.011 1.00 0.00 C ATOM 1623 O TYR A 610 9.933 -6.978 7.845 1.00 0.00 O ATOM 1624 CB TYR A 610 8.987 -4.192 6.052 1.00 0.00 C ATOM 1625 CG TYR A 610 9.284 -3.472 7.352 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.612 -3.353 7.799 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.235 -2.933 8.127 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.873 -2.735 9.023 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.498 -2.331 9.375 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.835 -2.234 9.824 1.00 0.00 C ATOM 1631 OH TYR A 610 10.175 -1.652 11.005 1.00 0.00 O ATOM 0 H TYR A 610 8.289 -6.501 4.649 1.00 0.00 H new ATOM 0 HA TYR A 610 10.692 -5.468 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.340 -3.576 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.906 -4.283 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.424 -3.737 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.220 -2.982 7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.894 -2.640 9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.689 -1.949 9.980 1.00 0.00 H new ATOM 0 HH TYR A 610 9.365 -1.346 11.464 1.00 0.00 H new ATOM 1641 N VAL A 611 7.900 -7.003 6.934 1.00 0.00 N ATOM 1642 CA VAL A 611 7.185 -7.620 8.052 1.00 0.00 C ATOM 1643 C VAL A 611 6.606 -8.979 7.686 1.00 0.00 C ATOM 1644 O VAL A 611 6.714 -9.941 8.442 1.00 0.00 O ATOM 1645 CB VAL A 611 6.087 -6.703 8.608 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.624 -5.810 9.727 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.425 -5.858 7.524 1.00 0.00 C ATOM 0 H VAL A 611 7.344 -6.946 6.081 1.00 0.00 H new ATOM 0 HA VAL A 611 7.926 -7.774 8.836 1.00 0.00 H new ATOM 0 HB VAL A 611 5.320 -7.358 9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 611 5.822 -5.172 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 611 7.001 -6.431 10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.432 -5.189 9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 611 4.656 -5.228 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 611 6.175 -5.229 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 611 4.970 -6.512 6.780 1.00 0.00 H new ATOM 1657 N THR A 612 6.012 -9.084 6.500 1.00 0.00 N ATOM 1658 CA THR A 612 5.621 -10.355 5.908 1.00 0.00 C ATOM 1659 C THR A 612 6.886 -11.213 5.807 1.00 0.00 C ATOM 1660 O THR A 612 6.979 -12.266 6.435 1.00 0.00 O ATOM 1661 CB THR A 612 4.861 -10.128 4.576 1.00 0.00 C ATOM 1662 OG1 THR A 612 4.960 -11.233 3.697 1.00 0.00 O ATOM 1663 CG2 THR A 612 5.319 -8.872 3.824 1.00 0.00 C ATOM 0 H THR A 612 5.787 -8.277 5.918 1.00 0.00 H new ATOM 0 HA THR A 612 4.905 -10.900 6.523 1.00 0.00 H new ATOM 0 HB THR A 612 3.823 -9.997 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 612 4.464 -11.042 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.748 -8.772 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.156 -7.994 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 612 6.380 -8.956 3.587 1.00 0.00 H new ATOM 1671 N HIS A 613 7.899 -10.714 5.091 1.00 0.00 N ATOM 1672 CA HIS A 613 9.146 -11.436 4.861 1.00 0.00 C ATOM 1673 C HIS A 613 10.128 -11.311 6.038 1.00 0.00 C ATOM 1674 O HIS A 613 11.229 -11.844 5.942 1.00 0.00 O ATOM 1675 CB HIS A 613 9.756 -10.994 3.509 1.00 0.00 C ATOM 1676 CG HIS A 613 10.547 -12.074 2.811 1.00 0.00 C ATOM 1677 ND1 HIS A 613 11.064 -13.226 3.381 1.00 0.00 N ATOM 1678 CD2 HIS A 613 10.831 -12.102 1.473 1.00 0.00 C ATOM 1679 CE1 HIS A 613 11.632 -13.945 2.398 1.00 0.00 C ATOM 1680 NE2 HIS A 613 11.523 -13.272 1.236 1.00 0.00 N ATOM 0 H HIS A 613 7.873 -9.793 4.654 1.00 0.00 H new ATOM 0 HA HIS A 613 8.926 -12.502 4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.953 -10.663 2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.405 -10.134 3.678 1.00 0.00 H new ATOM 0 HD1 HIS A 613 11.021 -13.482 4.367 1.00 0.00 H new ATOM 0 HD2 HIS A 613 10.565 -11.352 0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 613 12.102 -14.910 2.520 1.00 0.00 H new ATOM 1689 N GLY A 614 9.760 -10.599 7.113 1.00 0.00 N ATOM 1690 CA GLY A 614 10.597 -10.370 8.286 1.00 0.00 C ATOM 1691 C GLY A 614 11.974 -9.838 7.907 1.00 0.00 C ATOM 1692 O GLY A 614 12.984 -10.403 8.336 1.00 0.00 O ATOM 0 H GLY A 614 8.844 -10.156 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.104 -9.660 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.708 -11.302 8.840 1.00 0.00 H new ATOM 1696 N PHE A 615 12.007 -8.808 7.058 1.00 0.00 N ATOM 1697 CA PHE A 615 13.246 -8.086 6.741 1.00 0.00 C ATOM 1698 C PHE A 615 13.534 -7.079 7.866 1.00 0.00 C ATOM 1699 O PHE A 615 12.744 -6.934 8.801 1.00 0.00 O ATOM 1700 CB PHE A 615 13.061 -7.395 5.384 1.00 0.00 C ATOM 1701 CG PHE A 615 13.240 -8.236 4.125 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.277 -9.648 4.150 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.338 -7.594 2.874 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.319 -10.378 2.947 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.455 -8.311 1.702 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.355 -9.708 1.711 1.00 0.00 C ATOM 0 H PHE A 615 11.183 -8.451 6.573 1.00 0.00 H new ATOM 0 HA PHE A 615 14.099 -8.760 6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 615 12.059 -6.967 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.764 -6.564 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.273 -10.169 5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 615 13.321 -6.515 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.324 -11.458 2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.625 -7.792 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.306 -10.261 0.785 1.00 0.00 H new ATOM 1716 N ASN A 616 14.663 -6.371 7.825 1.00 0.00 N ATOM 1717 CA ASN A 616 14.807 -5.127 8.595 1.00 0.00 C ATOM 1718 C ASN A 616 14.306 -3.958 7.766 1.00 0.00 C ATOM 1719 O ASN A 616 14.161 -4.072 6.552 1.00 0.00 O ATOM 1720 CB ASN A 616 16.273 -4.823 8.930 1.00 0.00 C ATOM 1721 CG ASN A 616 16.956 -5.922 9.728 1.00 0.00 C ATOM 1722 OD1 ASN A 616 16.368 -6.498 10.641 1.00 0.00 O ATOM 1723 ND2 ASN A 616 18.198 -6.227 9.426 1.00 0.00 N ATOM 0 H ASN A 616 15.483 -6.629 7.276 1.00 0.00 H new ATOM 0 HA ASN A 616 14.237 -5.259 9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.823 -4.663 8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.322 -3.892 9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 616 18.688 -6.951 9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 616 18.672 -5.740 8.666 1.00 0.00 H new ATOM 1730 N LEU A 617 14.160 -2.792 8.397 1.00 0.00 N ATOM 1731 CA LEU A 617 13.836 -1.538 7.721 1.00 0.00 C ATOM 1732 C LEU A 617 14.890 -1.209 6.662 1.00 0.00 C ATOM 1733 O LEU A 617 14.549 -0.768 5.568 1.00 0.00 O ATOM 1734 CB LEU A 617 13.735 -0.414 8.766 1.00 0.00 C ATOM 1735 CG LEU A 617 13.210 0.911 8.188 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.737 0.805 7.763 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.347 2.019 9.235 1.00 0.00 C ATOM 0 H LEU A 617 14.265 -2.692 9.407 1.00 0.00 H new ATOM 0 HA LEU A 617 12.878 -1.637 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.077 -0.736 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.719 -0.246 9.205 1.00 0.00 H new ATOM 0 HG LEU A 617 13.805 1.144 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.405 1.762 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.633 0.034 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.127 0.544 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 617 12.974 2.957 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 617 12.768 1.756 10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.396 2.134 9.508 1.00 0.00 H new ATOM 1749 N GLU A 618 16.160 -1.461 6.980 1.00 0.00 N ATOM 1750 CA GLU A 618 17.310 -1.235 6.108 1.00 0.00 C ATOM 1751 C GLU A 618 17.207 -2.099 4.848 1.00 0.00 C ATOM 1752 O GLU A 618 17.494 -1.661 3.734 1.00 0.00 O ATOM 1753 CB GLU A 618 18.616 -1.559 6.862 1.00 0.00 C ATOM 1754 CG GLU A 618 18.620 -1.046 8.309 1.00 0.00 C ATOM 1755 CD GLU A 618 20.003 -0.993 8.954 1.00 0.00 C ATOM 1756 OE1 GLU A 618 20.878 -0.242 8.469 1.00 0.00 O ATOM 1757 OE2 GLU A 618 20.194 -1.658 9.995 1.00 0.00 O ATOM 0 H GLU A 618 16.425 -1.843 7.888 1.00 0.00 H new ATOM 0 HA GLU A 618 17.319 -0.186 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.768 -2.638 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.457 -1.120 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 618 18.184 -0.047 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 618 17.976 -1.687 8.911 1.00 0.00 H new ATOM 1764 N GLU A 619 16.779 -3.347 5.025 1.00 0.00 N ATOM 1765 CA GLU A 619 16.699 -4.305 3.937 1.00 0.00 C ATOM 1766 C GLU A 619 15.488 -3.976 3.091 1.00 0.00 C ATOM 1767 O GLU A 619 15.585 -3.837 1.878 1.00 0.00 O ATOM 1768 CB GLU A 619 16.639 -5.752 4.446 1.00 0.00 C ATOM 1769 CG GLU A 619 17.849 -6.014 5.341 1.00 0.00 C ATOM 1770 CD GLU A 619 17.923 -7.445 5.846 1.00 0.00 C ATOM 1771 OE1 GLU A 619 16.978 -7.864 6.555 1.00 0.00 O ATOM 1772 OE2 GLU A 619 18.967 -8.084 5.571 1.00 0.00 O ATOM 0 H GLU A 619 16.480 -3.717 5.927 1.00 0.00 H new ATOM 0 HA GLU A 619 17.604 -4.230 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.716 -5.918 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.634 -6.447 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.759 -5.784 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.815 -5.336 6.194 1.00 0.00 H new ATOM 1779 N ALA A 620 14.352 -3.774 3.740 1.00 0.00 N ATOM 1780 CA ALA A 620 13.123 -3.391 3.096 1.00 0.00 C ATOM 1781 C ALA A 620 13.323 -2.123 2.259 1.00 0.00 C ATOM 1782 O ALA A 620 12.752 -2.016 1.176 1.00 0.00 O ATOM 1783 CB ALA A 620 12.094 -3.178 4.207 1.00 0.00 C ATOM 0 H ALA A 620 14.266 -3.876 4.751 1.00 0.00 H new ATOM 0 HA ALA A 620 12.780 -4.162 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.140 -2.885 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.966 -4.104 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.441 -2.393 4.879 1.00 0.00 H new ATOM 1789 N ALA A 621 14.160 -1.188 2.718 1.00 0.00 N ATOM 1790 CA ALA A 621 14.566 -0.019 1.958 1.00 0.00 C ATOM 1791 C ALA A 621 15.412 -0.396 0.738 1.00 0.00 C ATOM 1792 O ALA A 621 15.110 0.096 -0.345 1.00 0.00 O ATOM 1793 CB ALA A 621 15.332 0.948 2.870 1.00 0.00 C ATOM 0 H ALA A 621 14.578 -1.230 3.647 1.00 0.00 H new ATOM 0 HA ALA A 621 13.667 0.471 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.636 1.824 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.689 1.258 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.216 0.450 3.267 1.00 0.00 H new ATOM 1799 N ARG A 622 16.459 -1.234 0.826 1.00 0.00 N ATOM 1800 CA ARG A 622 17.361 -1.366 -0.316 1.00 0.00 C ATOM 1801 C ARG A 622 16.712 -2.239 -1.375 1.00 0.00 C ATOM 1802 O ARG A 622 16.836 -1.983 -2.569 1.00 0.00 O ATOM 1803 CB ARG A 622 18.726 -1.831 0.114 1.00 0.00 C ATOM 1804 CG ARG A 622 19.084 -3.292 -0.015 1.00 0.00 C ATOM 1805 CD ARG A 622 18.694 -4.162 1.148 1.00 0.00 C ATOM 1806 NE ARG A 622 19.355 -5.474 1.168 1.00 0.00 N ATOM 1807 CZ ARG A 622 20.374 -5.802 1.964 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.140 -4.861 2.507 1.00 0.00 N ATOM 1809 NH2 ARG A 622 20.616 -7.077 2.231 1.00 0.00 N ATOM 0 H ARG A 622 16.691 -1.804 1.640 1.00 0.00 H new ATOM 0 HA ARG A 622 17.530 -0.390 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 622 19.460 -1.262 -0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.852 -1.554 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 622 18.611 -3.685 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 622 20.161 -3.372 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 622 18.927 -3.637 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 622 17.615 -4.312 1.129 1.00 0.00 H new ATOM 0 HE ARG A 622 19.009 -6.187 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.951 -3.877 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 622 21.917 -5.123 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 622 20.024 -7.804 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 622 21.394 -7.332 2.839 1.00 0.00 H new ATOM 1823 N CYS A 623 15.956 -3.235 -0.923 1.00 0.00 N ATOM 1824 CA CYS A 623 15.005 -3.971 -1.725 1.00 0.00 C ATOM 1825 C CYS A 623 14.108 -2.988 -2.476 1.00 0.00 C ATOM 1826 O CYS A 623 13.925 -3.127 -3.681 1.00 0.00 O ATOM 1827 CB CYS A 623 14.235 -4.892 -0.770 1.00 0.00 C ATOM 1828 SG CYS A 623 15.388 -6.180 -0.218 1.00 0.00 S ATOM 0 H CYS A 623 15.996 -3.557 0.044 1.00 0.00 H new ATOM 0 HA CYS A 623 15.484 -4.585 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.851 -4.329 0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 623 13.375 -5.335 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 623 14.992 -6.656 0.925 1.00 0.00 H new ATOM 1834 N MET A 624 13.627 -1.942 -1.805 1.00 0.00 N ATOM 1835 CA MET A 624 12.742 -0.964 -2.434 1.00 0.00 C ATOM 1836 C MET A 624 13.484 -0.101 -3.455 1.00 0.00 C ATOM 1837 O MET A 624 12.918 0.188 -4.509 1.00 0.00 O ATOM 1838 CB MET A 624 12.028 -0.125 -1.375 1.00 0.00 C ATOM 1839 CG MET A 624 10.816 -0.899 -0.837 1.00 0.00 C ATOM 1840 SD MET A 624 9.292 -0.586 -1.743 1.00 0.00 S ATOM 1841 CE MET A 624 9.012 1.089 -1.117 1.00 0.00 C ATOM 0 H MET A 624 13.836 -1.751 -0.825 1.00 0.00 H new ATOM 0 HA MET A 624 11.979 -1.507 -2.991 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.713 0.111 -0.560 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.705 0.823 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A 624 11.035 -1.966 -0.870 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.665 -0.637 0.210 1.00 0.00 H new ATOM 0 HE1 MET A 624 8.632 1.719 -1.921 1.00 0.00 H new ATOM 0 HE2 MET A 624 8.284 1.057 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.951 1.501 -0.746 1.00 0.00 H new ATOM 1851 N ARG A 625 14.757 0.242 -3.229 1.00 0.00 N ATOM 1852 CA ARG A 625 15.608 0.898 -4.236 1.00 0.00 C ATOM 1853 C ARG A 625 15.650 0.148 -5.578 1.00 0.00 C ATOM 1854 O ARG A 625 15.972 0.753 -6.600 1.00 0.00 O ATOM 1855 CB ARG A 625 17.039 1.124 -3.718 1.00 0.00 C ATOM 1856 CG ARG A 625 17.125 1.993 -2.457 1.00 0.00 C ATOM 1857 CD ARG A 625 18.485 1.845 -1.765 1.00 0.00 C ATOM 1858 NE ARG A 625 19.313 3.047 -1.871 1.00 0.00 N ATOM 1859 CZ ARG A 625 20.630 3.131 -1.659 1.00 0.00 C ATOM 1860 NH1 ARG A 625 21.391 2.067 -1.399 1.00 0.00 N ATOM 1861 NH2 ARG A 625 21.177 4.334 -1.690 1.00 0.00 N ATOM 0 H ARG A 625 15.230 0.073 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 625 15.141 1.866 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.494 0.156 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.629 1.590 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.962 3.038 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.331 1.712 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.327 1.610 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 625 19.020 1.002 -2.203 1.00 0.00 H new ATOM 0 HE ARG A 625 18.836 3.909 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 625 20.971 1.138 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 625 22.393 2.182 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 625 20.597 5.153 -1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 625 22.179 4.443 -1.533 1.00 0.00 H new ATOM 1875 N SER A 626 15.344 -1.154 -5.609 1.00 0.00 N ATOM 1876 CA SER A 626 15.330 -1.949 -6.832 1.00 0.00 C ATOM 1877 C SER A 626 14.153 -1.545 -7.740 1.00 0.00 C ATOM 1878 O SER A 626 14.235 -1.711 -8.962 1.00 0.00 O ATOM 1879 CB SER A 626 15.257 -3.435 -6.428 1.00 0.00 C ATOM 1880 OG SER A 626 15.736 -4.325 -7.419 1.00 0.00 O ATOM 0 H SER A 626 15.097 -1.686 -4.775 1.00 0.00 H new ATOM 0 HA SER A 626 16.237 -1.772 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.833 -3.581 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.222 -3.688 -6.197 1.00 0.00 H new ATOM 0 HG SER A 626 15.661 -5.247 -7.095 1.00 0.00 H new ATOM 1886 N LEU A 627 13.060 -1.014 -7.173 1.00 0.00 N ATOM 1887 CA LEU A 627 11.808 -0.747 -7.869 1.00 0.00 C ATOM 1888 C LEU A 627 11.993 0.337 -8.921 1.00 0.00 C ATOM 1889 O LEU A 627 12.867 1.203 -8.808 1.00 0.00 O ATOM 1890 CB LEU A 627 10.723 -0.396 -6.830 1.00 0.00 C ATOM 1891 CG LEU A 627 9.304 -0.884 -7.179 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.435 -0.898 -5.924 1.00 0.00 C ATOM 1893 CD2 LEU A 627 8.533 -0.083 -8.193 1.00 0.00 C ATOM 0 H LEU A 627 13.029 -0.753 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 627 11.482 -1.636 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 627 11.011 -0.821 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.698 0.686 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 627 9.491 -1.865 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.433 -1.244 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.874 -1.569 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 627 8.377 0.109 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.553 -0.535 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 627 8.409 0.938 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.077 -0.071 -9.137 1.00 0.00 H new ATOM 1905 N LYS A 628 11.187 0.229 -9.972 1.00 0.00 N ATOM 1906 CA LYS A 628 11.275 0.974 -11.217 1.00 0.00 C ATOM 1907 C LYS A 628 9.871 1.345 -11.720 1.00 0.00 C ATOM 1908 O LYS A 628 9.657 1.477 -12.924 1.00 0.00 O ATOM 1909 CB LYS A 628 12.158 0.199 -12.208 1.00 0.00 C ATOM 1910 CG LYS A 628 11.700 -1.235 -12.434 1.00 0.00 C ATOM 1911 CD LYS A 628 12.752 -2.134 -13.076 1.00 0.00 C ATOM 1912 CE LYS A 628 13.803 -2.440 -12.004 1.00 0.00 C ATOM 1913 NZ LYS A 628 14.758 -3.465 -12.446 1.00 0.00 N ATOM 0 H LYS A 628 10.404 -0.425 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 628 11.770 1.935 -11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 628 12.167 0.724 -13.163 1.00 0.00 H new ATOM 0 HB3 LYS A 628 13.184 0.191 -11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 628 11.406 -1.666 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 628 10.812 -1.226 -13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 628 12.299 -3.054 -13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.209 -1.639 -13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 628 14.342 -1.526 -11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 628 13.306 -2.776 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 15.451 -3.642 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 14.248 -4.345 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 15.252 -3.134 -13.299 1.00 0.00 H new ATOM 1927 N ALA A 629 8.923 1.479 -10.786 1.00 0.00 N ATOM 1928 CA ALA A 629 7.616 2.110 -10.937 1.00 0.00 C ATOM 1929 C ALA A 629 7.497 3.267 -9.925 1.00 0.00 C ATOM 1930 O ALA A 629 8.205 3.251 -8.914 1.00 0.00 O ATOM 1931 CB ALA A 629 6.518 1.072 -10.659 1.00 0.00 C ATOM 0 H ALA A 629 9.063 1.123 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 629 7.504 2.495 -11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.539 1.539 -10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.609 0.247 -11.366 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.625 0.692 -9.643 1.00 0.00 H new ATOM 1937 N PRO A 630 6.595 4.240 -10.138 1.00 0.00 N ATOM 1938 CA PRO A 630 6.313 5.282 -9.154 1.00 0.00 C ATOM 1939 C PRO A 630 5.598 4.746 -7.919 1.00 0.00 C ATOM 1940 O PRO A 630 4.729 3.882 -8.031 1.00 0.00 O ATOM 1941 CB PRO A 630 5.457 6.325 -9.877 1.00 0.00 C ATOM 1942 CG PRO A 630 4.889 5.596 -11.096 1.00 0.00 C ATOM 1943 CD PRO A 630 5.892 4.486 -11.386 1.00 0.00 C ATOM 0 HA PRO A 630 7.243 5.709 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.660 6.697 -9.233 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.054 7.187 -10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 630 3.899 5.190 -10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 630 4.786 6.269 -11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.386 3.585 -11.732 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.586 4.784 -12.172 1.00 0.00 H new ATOM 1951 N ALA A 631 5.918 5.287 -6.739 1.00 0.00 N ATOM 1952 CA ALA A 631 5.353 4.862 -5.476 1.00 0.00 C ATOM 1953 C ALA A 631 5.601 5.918 -4.401 1.00 0.00 C ATOM 1954 O ALA A 631 6.754 6.253 -4.117 1.00 0.00 O ATOM 1955 CB ALA A 631 6.008 3.540 -5.059 1.00 0.00 C ATOM 0 H ALA A 631 6.592 6.047 -6.645 1.00 0.00 H new ATOM 0 HA ALA A 631 4.277 4.727 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.589 3.211 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 631 5.818 2.784 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.083 3.685 -4.951 1.00 0.00 H new ATOM 1961 N VAL A 632 4.537 6.405 -3.773 1.00 0.00 N ATOM 1962 CA VAL A 632 4.600 6.920 -2.405 1.00 0.00 C ATOM 1963 C VAL A 632 4.833 5.732 -1.462 1.00 0.00 C ATOM 1964 O VAL A 632 4.302 4.643 -1.701 1.00 0.00 O ATOM 1965 CB VAL A 632 3.291 7.667 -2.074 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.159 8.065 -0.603 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.199 8.975 -2.847 1.00 0.00 C ATOM 0 H VAL A 632 3.609 6.455 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 632 5.418 7.630 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 632 2.508 6.958 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.213 8.585 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.186 7.171 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.984 8.723 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.267 9.482 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.042 9.614 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.222 8.768 -3.917 1.00 0.00 H new ATOM 1977 N VAL A 633 5.567 5.963 -0.370 1.00 0.00 N ATOM 1978 CA VAL A 633 5.896 4.960 0.643 1.00 0.00 C ATOM 1979 C VAL A 633 5.422 5.464 2.009 1.00 0.00 C ATOM 1980 O VAL A 633 5.142 6.653 2.179 1.00 0.00 O ATOM 1981 CB VAL A 633 7.405 4.615 0.575 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.788 3.402 1.443 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.849 4.326 -0.866 1.00 0.00 C ATOM 0 H VAL A 633 5.960 6.881 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 633 5.375 4.021 0.458 1.00 0.00 H new ATOM 0 HB VAL A 633 7.915 5.497 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.857 3.212 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.544 3.609 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.234 2.525 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.913 4.088 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.283 3.481 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.667 5.204 -1.486 1.00 0.00 H new ATOM 1993 N SER A 634 5.309 4.576 2.994 1.00 0.00 N ATOM 1994 CA SER A 634 4.853 4.898 4.333 1.00 0.00 C ATOM 1995 C SER A 634 5.565 3.996 5.322 1.00 0.00 C ATOM 1996 O SER A 634 5.777 2.821 5.036 1.00 0.00 O ATOM 1997 CB SER A 634 3.334 4.706 4.350 1.00 0.00 C ATOM 1998 OG SER A 634 2.794 4.112 5.515 1.00 0.00 O ATOM 0 H SER A 634 5.539 3.590 2.874 1.00 0.00 H new ATOM 0 HA SER A 634 5.080 5.926 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.864 5.680 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 634 3.056 4.093 3.492 1.00 0.00 H new ATOM 0 HG SER A 634 2.896 4.726 6.272 1.00 0.00 H new ATOM 2004 N VAL A 635 5.829 4.500 6.520 1.00 0.00 N ATOM 2005 CA VAL A 635 6.305 3.720 7.658 1.00 0.00 C ATOM 2006 C VAL A 635 5.361 3.948 8.829 1.00 0.00 C ATOM 2007 O VAL A 635 4.524 4.853 8.779 1.00 0.00 O ATOM 2008 CB VAL A 635 7.753 4.104 8.009 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.723 3.435 7.039 1.00 0.00 C ATOM 2010 CG2 VAL A 635 8.002 5.617 8.007 1.00 0.00 C ATOM 0 H VAL A 635 5.715 5.491 6.735 1.00 0.00 H new ATOM 0 HA VAL A 635 6.311 2.659 7.410 1.00 0.00 H new ATOM 0 HB VAL A 635 7.921 3.752 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.745 3.713 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.614 2.352 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.503 3.761 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 635 9.043 5.815 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.789 6.020 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.351 6.094 8.740 1.00 0.00 H new ATOM 2020 N SER A 636 5.513 3.161 9.895 1.00 0.00 N ATOM 2021 CA SER A 636 4.798 3.386 11.138 1.00 0.00 C ATOM 2022 C SER A 636 5.089 4.783 11.677 1.00 0.00 C ATOM 2023 O SER A 636 4.159 5.498 12.053 1.00 0.00 O ATOM 2024 CB SER A 636 5.156 2.294 12.158 1.00 0.00 C ATOM 2025 OG SER A 636 6.523 1.899 12.117 1.00 0.00 O ATOM 0 H SER A 636 6.135 2.353 9.915 1.00 0.00 H new ATOM 0 HA SER A 636 3.726 3.327 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 636 4.921 2.654 13.160 1.00 0.00 H new ATOM 0 HB3 SER A 636 4.529 1.421 11.977 1.00 0.00 H new ATOM 0 HG SER A 636 6.683 1.205 12.790 1.00 0.00 H new ATOM 2031 N SER A 637 6.357 5.205 11.677 1.00 0.00 N ATOM 2032 CA SER A 637 6.767 6.208 12.655 1.00 0.00 C ATOM 2033 C SER A 637 7.407 7.422 11.976 1.00 0.00 C ATOM 2034 O SER A 637 8.209 7.249 11.056 1.00 0.00 O ATOM 2035 CB SER A 637 7.678 5.556 13.695 1.00 0.00 C ATOM 2036 OG SER A 637 7.059 4.392 14.224 1.00 0.00 O ATOM 0 H SER A 637 7.086 4.884 11.040 1.00 0.00 H new ATOM 0 HA SER A 637 5.889 6.592 13.174 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.633 5.295 13.240 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.890 6.262 14.498 1.00 0.00 H new ATOM 0 HG SER A 637 7.650 3.980 14.888 1.00 0.00 H new ATOM 2042 N PRO A 638 7.089 8.654 12.410 1.00 0.00 N ATOM 2043 CA PRO A 638 7.505 9.868 11.718 1.00 0.00 C ATOM 2044 C PRO A 638 9.021 10.049 11.790 1.00 0.00 C ATOM 2045 O PRO A 638 9.675 10.278 10.777 1.00 0.00 O ATOM 2046 CB PRO A 638 6.733 11.006 12.390 1.00 0.00 C ATOM 2047 CG PRO A 638 6.437 10.480 13.797 1.00 0.00 C ATOM 2048 CD PRO A 638 6.276 8.976 13.575 1.00 0.00 C ATOM 0 HA PRO A 638 7.281 9.836 10.652 1.00 0.00 H new ATOM 0 HB2 PRO A 638 7.323 11.922 12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 638 5.815 11.238 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 638 7.249 10.701 14.490 1.00 0.00 H new ATOM 0 HG3 PRO A 638 5.533 10.926 14.213 1.00 0.00 H new ATOM 0 HD2 PRO A 638 6.607 8.415 14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.231 8.716 13.406 1.00 0.00 H new ATOM 2056 N ASP A 639 9.606 9.843 12.971 1.00 0.00 N ATOM 2057 CA ASP A 639 11.050 9.944 13.219 1.00 0.00 C ATOM 2058 C ASP A 639 11.844 8.863 12.465 1.00 0.00 C ATOM 2059 O ASP A 639 13.071 8.904 12.347 1.00 0.00 O ATOM 2060 CB ASP A 639 11.278 9.837 14.738 1.00 0.00 C ATOM 2061 CG ASP A 639 12.222 10.907 15.273 1.00 0.00 C ATOM 2062 OD1 ASP A 639 12.098 12.079 14.853 1.00 0.00 O ATOM 2063 OD2 ASP A 639 12.998 10.612 16.206 1.00 0.00 O ATOM 0 H ASP A 639 9.076 9.594 13.806 1.00 0.00 H new ATOM 0 HA ASP A 639 11.413 10.902 12.846 1.00 0.00 H new ATOM 0 HB2 ASP A 639 10.319 9.916 15.251 1.00 0.00 H new ATOM 0 HB3 ASP A 639 11.684 8.852 14.971 1.00 0.00 H new ATOM 2068 N ALA A 640 11.118 7.900 11.899 1.00 0.00 N ATOM 2069 CA ALA A 640 11.601 6.739 11.191 1.00 0.00 C ATOM 2070 C ALA A 640 11.327 6.824 9.689 1.00 0.00 C ATOM 2071 O ALA A 640 11.839 5.985 8.946 1.00 0.00 O ATOM 2072 CB ALA A 640 10.959 5.491 11.772 1.00 0.00 C ATOM 0 H ALA A 640 10.099 7.923 11.932 1.00 0.00 H new ATOM 0 HA ALA A 640 12.683 6.695 11.317 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.323 4.613 11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 640 11.217 5.407 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.876 5.557 11.667 1.00 0.00 H new ATOM 2078 N VAL A 641 10.576 7.831 9.233 1.00 0.00 N ATOM 2079 CA VAL A 641 10.648 8.307 7.855 1.00 0.00 C ATOM 2080 C VAL A 641 12.089 8.761 7.630 1.00 0.00 C ATOM 2081 O VAL A 641 12.714 8.324 6.670 1.00 0.00 O ATOM 2082 CB VAL A 641 9.646 9.453 7.581 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.744 9.946 6.131 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.185 9.052 7.823 1.00 0.00 C ATOM 0 H VAL A 641 9.903 8.336 9.810 1.00 0.00 H new ATOM 0 HA VAL A 641 10.373 7.511 7.163 1.00 0.00 H new ATOM 0 HB VAL A 641 9.923 10.238 8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.027 10.751 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.752 10.314 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.523 9.123 5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.535 9.901 7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 641 7.922 8.222 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.059 8.747 8.862 1.00 0.00 H new ATOM 2094 N THR A 642 12.648 9.546 8.557 1.00 0.00 N ATOM 2095 CA THR A 642 14.002 10.056 8.515 1.00 0.00 C ATOM 2096 C THR A 642 14.973 8.876 8.519 1.00 0.00 C ATOM 2097 O THR A 642 15.989 8.895 7.826 1.00 0.00 O ATOM 2098 CB THR A 642 14.205 10.923 9.772 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.146 11.839 10.008 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.525 11.701 9.713 1.00 0.00 C ATOM 0 H THR A 642 12.139 9.850 9.387 1.00 0.00 H new ATOM 0 HA THR A 642 14.180 10.650 7.619 1.00 0.00 H new ATOM 0 HB THR A 642 14.225 10.214 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.335 12.356 10.819 1.00 0.00 H new ATOM 0 HG21 THR A 642 15.634 12.301 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.357 11.001 9.640 1.00 0.00 H new ATOM 0 HG23 THR A 642 15.523 12.355 8.841 1.00 0.00 H new ATOM 2108 N THR A 643 14.656 7.833 9.294 1.00 0.00 N ATOM 2109 CA THR A 643 15.462 6.633 9.316 1.00 0.00 C ATOM 2110 C THR A 643 15.464 5.982 7.919 1.00 0.00 C ATOM 2111 O THR A 643 16.515 5.844 7.298 1.00 0.00 O ATOM 2112 CB THR A 643 15.008 5.705 10.454 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.153 6.320 11.728 1.00 0.00 O ATOM 2114 CG2 THR A 643 15.821 4.420 10.506 1.00 0.00 C ATOM 0 H THR A 643 13.844 7.807 9.911 1.00 0.00 H new ATOM 0 HA THR A 643 16.502 6.873 9.537 1.00 0.00 H new ATOM 0 HB THR A 643 13.961 5.490 10.241 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.853 5.701 12.426 1.00 0.00 H new ATOM 0 HG21 THR A 643 15.464 3.796 11.326 1.00 0.00 H new ATOM 0 HG22 THR A 643 15.710 3.881 9.565 1.00 0.00 H new ATOM 0 HG23 THR A 643 16.872 4.661 10.665 1.00 0.00 H new ATOM 2122 N TYR A 644 14.287 5.626 7.395 1.00 0.00 N ATOM 2123 CA TYR A 644 14.119 4.937 6.124 1.00 0.00 C ATOM 2124 C TYR A 644 14.742 5.718 4.961 1.00 0.00 C ATOM 2125 O TYR A 644 15.493 5.158 4.161 1.00 0.00 O ATOM 2126 CB TYR A 644 12.618 4.710 5.918 1.00 0.00 C ATOM 2127 CG TYR A 644 12.280 3.907 4.683 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.389 2.509 4.721 1.00 0.00 C ATOM 2129 CD2 TYR A 644 11.860 4.543 3.504 1.00 0.00 C ATOM 2130 CE1 TYR A 644 12.042 1.732 3.606 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.522 3.777 2.375 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.605 2.369 2.424 1.00 0.00 C ATOM 2133 OH TYR A 644 11.274 1.630 1.333 1.00 0.00 O ATOM 0 H TYR A 644 13.401 5.818 7.863 1.00 0.00 H new ATOM 0 HA TYR A 644 14.643 3.982 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.215 4.199 6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.120 5.678 5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.744 2.025 5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 644 11.797 5.620 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 644 12.109 0.655 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.198 4.267 1.468 1.00 0.00 H new ATOM 0 HH TYR A 644 11.734 1.986 0.545 1.00 0.00 H new ATOM 2143 N ASN A 645 14.452 7.017 4.870 1.00 0.00 N ATOM 2144 CA ASN A 645 15.013 7.883 3.836 1.00 0.00 C ATOM 2145 C ASN A 645 16.518 8.049 3.989 1.00 0.00 C ATOM 2146 O ASN A 645 17.208 8.262 2.991 1.00 0.00 O ATOM 2147 CB ASN A 645 14.333 9.265 3.818 1.00 0.00 C ATOM 2148 CG ASN A 645 13.376 9.384 2.644 1.00 0.00 C ATOM 2149 OD1 ASN A 645 13.660 8.928 1.536 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.208 9.963 2.838 1.00 0.00 N ATOM 0 H ASN A 645 13.821 7.497 5.512 1.00 0.00 H new ATOM 0 HA ASN A 645 14.818 7.389 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 645 13.791 9.420 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.090 10.046 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.540 10.033 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 645 11.972 10.341 3.756 1.00 0.00 H new ATOM 2157 N GLY A 646 17.045 7.920 5.206 1.00 0.00 N ATOM 2158 CA GLY A 646 18.468 7.841 5.473 1.00 0.00 C ATOM 2159 C GLY A 646 19.083 6.718 4.647 1.00 0.00 C ATOM 2160 O GLY A 646 20.104 6.932 3.999 1.00 0.00 O ATOM 0 H GLY A 646 16.474 7.867 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 646 18.947 8.789 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.639 7.661 6.534 1.00 0.00 H new ATOM 2164 N TYR A 647 18.440 5.549 4.591 1.00 0.00 N ATOM 2165 CA TYR A 647 18.927 4.407 3.825 1.00 0.00 C ATOM 2166 C TYR A 647 18.720 4.590 2.323 1.00 0.00 C ATOM 2167 O TYR A 647 19.557 4.131 1.544 1.00 0.00 O ATOM 2168 CB TYR A 647 18.221 3.115 4.264 1.00 0.00 C ATOM 2169 CG TYR A 647 18.125 2.888 5.760 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.210 3.195 6.602 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.945 2.354 6.308 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.110 2.998 7.986 1.00 0.00 C ATOM 2173 CE2 TYR A 647 16.852 2.126 7.690 1.00 0.00 C ATOM 2174 CZ TYR A 647 17.931 2.455 8.540 1.00 0.00 C ATOM 2175 OH TYR A 647 17.837 2.180 9.872 1.00 0.00 O ATOM 0 H TYR A 647 17.563 5.371 5.080 1.00 0.00 H new ATOM 0 HA TYR A 647 19.996 4.336 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.212 3.117 3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.746 2.269 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.124 3.584 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.110 2.119 5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 647 19.936 3.262 8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 647 15.952 1.697 8.105 1.00 0.00 H new ATOM 0 HH TYR A 647 16.950 1.812 10.068 1.00 0.00 H new ATOM 2185 N LEU A 648 17.625 5.226 1.890 1.00 0.00 N ATOM 2186 CA LEU A 648 17.377 5.400 0.455 1.00 0.00 C ATOM 2187 C LEU A 648 18.414 6.339 -0.161 1.00 0.00 C ATOM 2188 O LEU A 648 18.966 6.040 -1.221 1.00 0.00 O ATOM 2189 CB LEU A 648 15.959 5.918 0.157 1.00 0.00 C ATOM 2190 CG LEU A 648 14.789 4.957 0.462 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.546 5.427 -0.299 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.013 3.504 0.032 1.00 0.00 C ATOM 0 H LEU A 648 16.909 5.622 2.500 1.00 0.00 H new ATOM 0 HA LEU A 648 17.465 4.412 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 648 15.805 6.833 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 648 15.911 6.188 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 648 14.687 4.979 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.715 4.754 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.285 6.436 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 648 13.753 5.426 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.136 2.909 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.175 3.464 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.887 3.103 0.546 1.00 0.00 H new ATOM 2204 N THR A 649 18.711 7.446 0.517 1.00 0.00 N ATOM 2205 CA THR A 649 19.716 8.413 0.109 1.00 0.00 C ATOM 2206 C THR A 649 21.090 7.790 0.345 1.00 0.00 C ATOM 2207 O THR A 649 21.970 7.906 -0.512 1.00 0.00 O ATOM 2208 CB THR A 649 19.519 9.706 0.923 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.183 10.149 0.773 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.443 10.848 0.491 1.00 0.00 C ATOM 0 H THR A 649 18.244 7.698 1.388 1.00 0.00 H new ATOM 0 HA THR A 649 19.628 8.669 -0.947 1.00 0.00 H new ATOM 0 HB THR A 649 19.759 9.458 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 649 17.607 9.673 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.249 11.726 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 649 21.482 10.542 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.257 11.091 -0.555 1.00 0.00 H new