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 624 MET CE :methyl -166:sc= 0 (180deg=-0.216) USER MOD Set 1.2: A 644 TYR OH : rot 50:sc= 0 USER MOD Set 2.1: A 605 THR OG1 : rot 145:sc= 0.754 USER MOD Set 2.2: A 606 MET CE :methyl 163:sc=-0.00514 (180deg=-0.331) USER MOD Set 3.1: A 550 CYS SG : rot 74:sc= 0.788 USER MOD Set 3.2: A 585 SER OG : rot 63:sc= 0.00761 USER MOD Set 3.3: A 612 THR OG1 : rot 68:sc= 1.79 USER MOD Set 3.4: A 613 HIS : +bothHN:sc= 0.972 K(o=3.6,f=-5.3!) USER MOD Set 4.1: A 557 MET CE :methyl -110:sc= -1.94 (180deg=-3.8!) USER MOD Set 4.2: A 561 GLN : amide:sc= -2.23 K(o=-4.2,f=-8.4) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 530 SER OG : rot 180:sc= -0.134 USER MOD Single : A 532 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 536 MET CE :methyl 167:sc= -2.3 (180deg=-2.57) USER MOD Single : A 539 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.014) USER MOD Single : A 543 THR OG1 : rot -78:sc= 1.22 USER MOD Single : A 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 547 MET CE :methyl 179:sc= -0.281 (180deg=-0.29) USER MOD Single : A 551 MET CE :methyl -179:sc= -0.433 (180deg=-0.433) USER MOD Single : A 559 THR OG1 : rot 74:sc= 0.051 USER MOD Single : A 563 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0141) USER MOD Single : A 564 TYR OH : rot 130:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -2.67 F(o=-6!,f=-2.7) USER MOD Single : A 576 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -160:sc= 0 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= -0.532 K(o=-0.53,f=-3.9!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.207 K(o=0.21,f=-0.6) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 616 ASN : amide:sc= 0.355 X(o=0.35,f=0) USER MOD Single : A 623 CYS SG : rot 170:sc= -0.0076 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 634 SER OG : rot -140:sc= -0.123 USER MOD Single : A 636 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 645 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 647 TYR OH : rot -31:sc= 1.24 USER MOD Single : A 649 THR OG1 : rot 86:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 0.241 17.133 -6.002 1.00 0.00 N ATOM 215 CA GLU A 524 0.472 15.773 -5.501 1.00 0.00 C ATOM 216 C GLU A 524 1.783 15.690 -4.724 1.00 0.00 C ATOM 217 O GLU A 524 2.619 16.591 -4.784 1.00 0.00 O ATOM 218 CB GLU A 524 0.452 14.731 -6.643 1.00 0.00 C ATOM 219 CG GLU A 524 1.311 15.093 -7.871 1.00 0.00 C ATOM 220 CD GLU A 524 0.424 15.409 -9.075 1.00 0.00 C ATOM 221 OE1 GLU A 524 -0.196 16.496 -9.124 1.00 0.00 O ATOM 222 OE2 GLU A 524 0.251 14.485 -9.900 1.00 0.00 O ATOM 0 HA GLU A 524 -0.347 15.537 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.795 13.775 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.579 14.590 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.940 15.953 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 524 1.978 14.265 -8.111 1.00 0.00 H new ATOM 229 N ILE A 525 1.959 14.577 -4.009 1.00 0.00 N ATOM 230 CA ILE A 525 3.119 14.250 -3.194 1.00 0.00 C ATOM 231 C ILE A 525 3.729 12.973 -3.747 1.00 0.00 C ATOM 232 O ILE A 525 3.030 12.109 -4.299 1.00 0.00 O ATOM 233 CB ILE A 525 2.780 14.082 -1.700 1.00 0.00 C ATOM 234 CG1 ILE A 525 1.552 14.910 -1.305 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.965 14.485 -0.805 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.251 14.142 -1.571 1.00 0.00 C ATOM 0 H ILE A 525 1.253 13.841 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 525 3.824 15.080 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 525 2.561 13.025 -1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 525 1.612 15.172 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 525 1.546 15.845 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 525 3.691 14.354 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 525 4.826 13.857 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 525 4.219 15.530 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.601 14.757 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 525 0.180 13.903 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 525 0.248 13.220 -0.990 1.00 0.00 H new ATOM 248 N LEU A 526 5.027 12.837 -3.530 1.00 0.00 N ATOM 249 CA LEU A 526 5.826 11.667 -3.833 1.00 0.00 C ATOM 250 C LEU A 526 6.954 11.581 -2.810 1.00 0.00 C ATOM 251 O LEU A 526 7.286 12.578 -2.164 1.00 0.00 O ATOM 252 CB LEU A 526 6.380 11.784 -5.251 1.00 0.00 C ATOM 253 CG LEU A 526 6.584 10.421 -5.933 1.00 0.00 C ATOM 254 CD1 LEU A 526 5.235 9.889 -6.438 1.00 0.00 C ATOM 255 CD2 LEU A 526 7.550 10.568 -7.101 1.00 0.00 C ATOM 0 H LEU A 526 5.581 13.585 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 526 5.223 10.761 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.699 12.386 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.332 12.314 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 526 7.000 9.718 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 526 5.383 8.923 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 526 4.551 9.774 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 526 4.812 10.592 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 526 7.691 9.599 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 526 7.142 11.275 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 526 8.509 10.935 -6.736 1.00 0.00 H new ATOM 267 N GLY A 527 7.607 10.429 -2.730 1.00 0.00 N ATOM 268 CA GLY A 527 8.613 10.152 -1.713 1.00 0.00 C ATOM 269 C GLY A 527 7.980 9.592 -0.445 1.00 0.00 C ATOM 270 O GLY A 527 6.850 9.093 -0.489 1.00 0.00 O ATOM 0 H GLY A 527 7.452 9.654 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.341 9.441 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 527 9.156 11.067 -1.477 1.00 0.00 H new ATOM 274 N THR A 528 8.728 9.588 0.659 1.00 0.00 N ATOM 275 CA THR A 528 8.291 8.970 1.891 1.00 0.00 C ATOM 276 C THR A 528 7.620 10.038 2.765 1.00 0.00 C ATOM 277 O THR A 528 7.937 11.228 2.668 1.00 0.00 O ATOM 278 CB THR A 528 9.501 8.288 2.547 1.00 0.00 C ATOM 279 OG1 THR A 528 10.264 7.564 1.594 1.00 0.00 O ATOM 280 CG2 THR A 528 9.077 7.286 3.619 1.00 0.00 C ATOM 0 H THR A 528 9.652 10.016 0.714 1.00 0.00 H new ATOM 0 HA THR A 528 7.545 8.193 1.726 1.00 0.00 H new ATOM 0 HB THR A 528 10.089 9.092 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 528 11.028 7.142 2.039 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.962 6.826 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.513 7.802 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.453 6.514 3.169 1.00 0.00 H new ATOM 288 N VAL A 529 6.669 9.624 3.597 1.00 0.00 N ATOM 289 CA VAL A 529 5.861 10.497 4.439 1.00 0.00 C ATOM 290 C VAL A 529 5.581 9.798 5.775 1.00 0.00 C ATOM 291 O VAL A 529 5.738 8.583 5.910 1.00 0.00 O ATOM 292 CB VAL A 529 4.559 10.898 3.702 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.801 11.922 2.585 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.822 9.708 3.076 1.00 0.00 C ATOM 0 H VAL A 529 6.433 8.638 3.706 1.00 0.00 H new ATOM 0 HA VAL A 529 6.404 11.418 4.650 1.00 0.00 H new ATOM 0 HB VAL A 529 3.943 11.335 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.854 12.166 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.236 12.827 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.485 11.502 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.920 10.061 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.471 9.219 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.550 8.997 3.856 1.00 0.00 H new ATOM 304 N SER A 530 5.154 10.570 6.773 1.00 0.00 N ATOM 305 CA SER A 530 4.903 10.128 8.141 1.00 0.00 C ATOM 306 C SER A 530 3.398 9.927 8.345 1.00 0.00 C ATOM 307 O SER A 530 2.844 10.339 9.367 1.00 0.00 O ATOM 308 CB SER A 530 5.432 11.185 9.122 1.00 0.00 C ATOM 309 OG SER A 530 6.672 11.763 8.741 1.00 0.00 O ATOM 0 H SER A 530 4.966 11.564 6.643 1.00 0.00 H new ATOM 0 HA SER A 530 5.415 9.183 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.690 11.977 9.221 1.00 0.00 H new ATOM 0 HB3 SER A 530 5.544 10.728 10.105 1.00 0.00 H new ATOM 0 HG SER A 530 6.944 12.425 9.410 1.00 0.00 H new ATOM 315 N TRP A 531 2.719 9.403 7.329 1.00 0.00 N ATOM 316 CA TRP A 531 1.285 9.263 7.255 1.00 0.00 C ATOM 317 C TRP A 531 0.838 8.106 8.152 1.00 0.00 C ATOM 318 O TRP A 531 1.516 7.687 9.094 1.00 0.00 O ATOM 319 CB TRP A 531 0.883 9.123 5.770 1.00 0.00 C ATOM 320 CG TRP A 531 0.911 10.362 4.930 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.270 11.607 5.323 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.602 10.468 3.508 1.00 0.00 C ATOM 323 NE1 TRP A 531 1.138 12.483 4.267 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.808 11.821 3.105 1.00 0.00 C ATOM 325 CE3 TRP A 531 0.269 9.530 2.502 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.711 12.225 1.767 1.00 0.00 C ATOM 327 CZ3 TRP A 531 0.174 9.924 1.154 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.410 11.263 0.789 1.00 0.00 C ATOM 0 H TRP A 531 3.188 9.049 6.495 1.00 0.00 H new ATOM 0 HA TRP A 531 0.766 10.143 7.635 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.544 8.389 5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.126 8.712 5.731 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.608 11.873 6.313 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.268 13.492 4.337 1.00 0.00 H new ATOM 0 HE3 TRP A 531 0.086 8.500 2.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.865 13.258 1.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.081 9.197 0.397 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.359 11.552 -0.250 1.00 0.00 H new ATOM 339 N ASN A 532 -0.391 7.670 7.926 1.00 0.00 N ATOM 340 CA ASN A 532 -1.125 6.710 8.717 1.00 0.00 C ATOM 341 C ASN A 532 -1.729 5.769 7.707 1.00 0.00 C ATOM 342 O ASN A 532 -2.108 6.217 6.624 1.00 0.00 O ATOM 343 CB ASN A 532 -2.256 7.393 9.509 1.00 0.00 C ATOM 344 CG ASN A 532 -1.699 8.358 10.536 1.00 0.00 C ATOM 345 OD1 ASN A 532 -1.222 9.503 10.080 1.00 0.00 O flip ATOM 346 ND2 ASN A 532 -1.668 8.052 11.720 1.00 0.00 N flip ATOM 0 H ASN A 532 -0.934 8.004 7.130 1.00 0.00 H new ATOM 0 HA ASN A 532 -0.480 6.212 9.441 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.913 7.927 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -2.863 6.637 10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -2.049 7.156 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -1.261 8.692 12.402 1.00 0.00 H new ATOM 353 N LEU A 533 -1.976 4.524 8.097 1.00 0.00 N ATOM 354 CA LEU A 533 -2.709 3.575 7.265 1.00 0.00 C ATOM 355 C LEU A 533 -4.031 4.192 6.779 1.00 0.00 C ATOM 356 O LEU A 533 -4.440 3.976 5.646 1.00 0.00 O ATOM 357 CB LEU A 533 -2.895 2.285 8.085 1.00 0.00 C ATOM 358 CG LEU A 533 -3.241 0.987 7.334 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.714 0.809 6.965 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.380 0.788 6.090 1.00 0.00 C ATOM 0 H LEU A 533 -1.676 4.144 8.995 1.00 0.00 H new ATOM 0 HA LEU A 533 -2.157 3.328 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -1.976 2.111 8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -3.683 2.466 8.816 1.00 0.00 H new ATOM 0 HG LEU A 533 -3.015 0.215 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -4.846 -0.137 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -5.319 0.808 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.029 1.629 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.663 -0.142 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -2.531 1.623 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -1.330 0.740 6.378 1.00 0.00 H new ATOM 372 N ARG A 534 -4.666 5.027 7.609 1.00 0.00 N ATOM 373 CA ARG A 534 -5.884 5.766 7.284 1.00 0.00 C ATOM 374 C ARG A 534 -5.631 6.936 6.324 1.00 0.00 C ATOM 375 O ARG A 534 -6.424 7.106 5.400 1.00 0.00 O ATOM 376 CB ARG A 534 -6.507 6.313 8.575 1.00 0.00 C ATOM 377 CG ARG A 534 -6.706 5.283 9.698 1.00 0.00 C ATOM 378 CD ARG A 534 -7.771 4.213 9.416 1.00 0.00 C ATOM 379 NE ARG A 534 -8.815 4.216 10.457 1.00 0.00 N ATOM 380 CZ ARG A 534 -8.682 3.819 11.732 1.00 0.00 C ATOM 381 NH1 ARG A 534 -7.623 3.124 12.134 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.618 4.120 12.619 1.00 0.00 N ATOM 0 H ARG A 534 -4.333 5.211 8.555 1.00 0.00 H new ATOM 0 HA ARG A 534 -6.558 5.069 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -5.875 7.118 8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.474 6.754 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -5.755 4.786 9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -6.977 5.812 10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -8.224 4.395 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.301 3.231 9.371 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.736 4.556 10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.889 2.881 11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.544 2.833 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.439 4.653 12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -9.518 3.819 13.588 1.00 0.00 H new ATOM 396 N GLU A 535 -4.580 7.745 6.529 1.00 0.00 N ATOM 397 CA GLU A 535 -4.207 8.820 5.596 1.00 0.00 C ATOM 398 C GLU A 535 -4.035 8.241 4.193 1.00 0.00 C ATOM 399 O GLU A 535 -4.597 8.731 3.218 1.00 0.00 O ATOM 400 CB GLU A 535 -2.894 9.467 6.027 1.00 0.00 C ATOM 401 CG GLU A 535 -3.085 10.422 7.197 1.00 0.00 C ATOM 402 CD GLU A 535 -3.255 11.866 6.746 1.00 0.00 C ATOM 403 OE1 GLU A 535 -4.306 12.158 6.130 1.00 0.00 O ATOM 404 OE2 GLU A 535 -2.377 12.703 7.054 1.00 0.00 O ATOM 0 H GLU A 535 -3.968 7.673 7.342 1.00 0.00 H new ATOM 0 HA GLU A 535 -4.996 9.572 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.182 8.690 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.463 10.008 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -3.960 10.118 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -2.226 10.351 7.864 1.00 0.00 H new ATOM 411 N MET A 536 -3.271 7.153 4.106 1.00 0.00 N ATOM 412 CA MET A 536 -2.930 6.493 2.865 1.00 0.00 C ATOM 413 C MET A 536 -4.170 6.020 2.123 1.00 0.00 C ATOM 414 O MET A 536 -4.214 6.147 0.902 1.00 0.00 O ATOM 415 CB MET A 536 -2.054 5.292 3.179 1.00 0.00 C ATOM 416 CG MET A 536 -0.710 5.685 3.786 1.00 0.00 C ATOM 417 SD MET A 536 0.203 4.241 4.350 1.00 0.00 S ATOM 418 CE MET A 536 0.602 3.616 2.711 1.00 0.00 C ATOM 0 H MET A 536 -2.865 6.700 4.925 1.00 0.00 H new ATOM 0 HA MET A 536 -2.406 7.206 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.581 4.634 3.870 1.00 0.00 H new ATOM 0 HB3 MET A 536 -1.883 4.724 2.265 1.00 0.00 H new ATOM 0 HG2 MET A 536 -0.119 6.225 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.872 6.365 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.365 2.842 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.294 3.195 2.254 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.977 4.431 2.092 1.00 0.00 H new ATOM 428 N LEU A 537 -5.151 5.473 2.853 1.00 0.00 N ATOM 429 CA LEU A 537 -6.424 5.060 2.279 1.00 0.00 C ATOM 430 C LEU A 537 -7.077 6.259 1.602 1.00 0.00 C ATOM 431 O LEU A 537 -7.404 6.167 0.424 1.00 0.00 O ATOM 432 CB LEU A 537 -7.367 4.436 3.331 1.00 0.00 C ATOM 433 CG LEU A 537 -7.021 2.997 3.761 1.00 0.00 C ATOM 434 CD1 LEU A 537 -8.018 2.500 4.815 1.00 0.00 C ATOM 435 CD2 LEU A 537 -7.058 1.992 2.616 1.00 0.00 C ATOM 0 H LEU A 537 -5.078 5.307 3.857 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.231 4.281 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.366 5.071 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.382 4.444 2.934 1.00 0.00 H new ATOM 0 HG LEU A 537 -6.004 3.053 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.760 1.482 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -7.978 3.151 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -9.025 2.513 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -6.804 1.001 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.058 1.970 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -6.338 2.285 1.852 1.00 0.00 H new ATOM 447 N ALA A 538 -7.238 7.375 2.318 1.00 0.00 N ATOM 448 CA ALA A 538 -7.861 8.575 1.774 1.00 0.00 C ATOM 449 C ALA A 538 -7.095 9.089 0.547 1.00 0.00 C ATOM 450 O ALA A 538 -7.713 9.432 -0.466 1.00 0.00 O ATOM 451 CB ALA A 538 -7.967 9.641 2.868 1.00 0.00 C ATOM 0 H ALA A 538 -6.939 7.468 3.289 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.868 8.331 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.433 10.537 2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.573 9.260 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.970 9.886 3.235 1.00 0.00 H new ATOM 457 N HIS A 539 -5.758 9.103 0.612 1.00 0.00 N ATOM 458 CA HIS A 539 -4.900 9.506 -0.498 1.00 0.00 C ATOM 459 C HIS A 539 -5.155 8.628 -1.724 1.00 0.00 C ATOM 460 O HIS A 539 -5.259 9.148 -2.837 1.00 0.00 O ATOM 461 CB HIS A 539 -3.420 9.451 -0.073 1.00 0.00 C ATOM 462 CG HIS A 539 -2.505 10.012 -1.133 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.410 11.350 -1.441 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.702 9.318 -2.002 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.613 11.468 -2.511 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.138 10.256 -2.856 1.00 0.00 N ATOM 0 H HIS A 539 -5.240 8.831 1.448 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.139 10.534 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.288 10.011 0.853 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.141 8.418 0.136 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.540 8.250 -2.019 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.386 12.393 -3.019 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.480 10.062 -3.611 1.00 0.00 H new ATOM 475 N ALA A 540 -5.218 7.307 -1.542 1.00 0.00 N ATOM 476 CA ALA A 540 -5.572 6.357 -2.587 1.00 0.00 C ATOM 477 C ALA A 540 -6.927 6.728 -3.200 1.00 0.00 C ATOM 478 O ALA A 540 -6.946 6.970 -4.401 1.00 0.00 O ATOM 479 CB ALA A 540 -5.542 4.919 -2.057 1.00 0.00 C ATOM 0 H ALA A 540 -5.020 6.864 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.828 6.409 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.810 4.230 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.540 4.685 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.254 4.818 -1.238 1.00 0.00 H new ATOM 485 N GLU A 541 -8.025 6.846 -2.432 1.00 0.00 N ATOM 486 CA GLU A 541 -9.348 7.105 -2.972 1.00 0.00 C ATOM 487 C GLU A 541 -9.378 8.373 -3.841 1.00 0.00 C ATOM 488 O GLU A 541 -10.028 8.396 -4.889 1.00 0.00 O ATOM 489 CB GLU A 541 -10.376 7.256 -1.842 1.00 0.00 C ATOM 490 CG GLU A 541 -10.391 6.270 -0.674 1.00 0.00 C ATOM 491 CD GLU A 541 -11.790 6.081 -0.083 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.240 6.942 0.708 1.00 0.00 O ATOM 493 OE2 GLU A 541 -12.456 5.055 -0.351 1.00 0.00 O ATOM 0 H GLU A 541 -8.007 6.762 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.603 6.249 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -10.248 8.253 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -11.365 7.228 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.010 5.306 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -9.716 6.625 0.105 1.00 0.00 H new ATOM 500 N GLU A 542 -8.660 9.417 -3.405 1.00 0.00 N ATOM 501 CA GLU A 542 -8.528 10.682 -4.117 1.00 0.00 C ATOM 502 C GLU A 542 -7.798 10.467 -5.442 1.00 0.00 C ATOM 503 O GLU A 542 -8.316 10.788 -6.512 1.00 0.00 O ATOM 504 CB GLU A 542 -7.781 11.707 -3.236 1.00 0.00 C ATOM 505 CG GLU A 542 -7.497 13.005 -4.010 1.00 0.00 C ATOM 506 CD GLU A 542 -7.046 14.146 -3.105 1.00 0.00 C ATOM 507 OE1 GLU A 542 -5.826 14.299 -2.884 1.00 0.00 O ATOM 508 OE2 GLU A 542 -7.929 14.917 -2.661 1.00 0.00 O ATOM 0 H GLU A 542 -8.145 9.398 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.521 11.075 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.376 11.931 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.842 11.275 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -6.728 12.815 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.396 13.307 -4.547 1.00 0.00 H new ATOM 515 N THR A 543 -6.559 9.981 -5.368 1.00 0.00 N ATOM 516 CA THR A 543 -5.638 9.983 -6.499 1.00 0.00 C ATOM 517 C THR A 543 -5.803 8.748 -7.397 1.00 0.00 C ATOM 518 O THR A 543 -5.212 8.684 -8.479 1.00 0.00 O ATOM 519 CB THR A 543 -4.200 10.178 -5.995 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.811 9.186 -5.064 1.00 0.00 O ATOM 521 CG2 THR A 543 -3.983 11.546 -5.340 1.00 0.00 C ATOM 0 H THR A 543 -6.167 9.574 -4.519 1.00 0.00 H new ATOM 0 HA THR A 543 -5.883 10.827 -7.144 1.00 0.00 H new ATOM 0 HB THR A 543 -3.585 10.101 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.200 9.389 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 543 -2.950 11.628 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.192 12.333 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.653 11.651 -4.486 1.00 0.00 H new ATOM 529 N ARG A 544 -6.620 7.776 -6.978 1.00 0.00 N ATOM 530 CA ARG A 544 -6.777 6.436 -7.546 1.00 0.00 C ATOM 531 C ARG A 544 -5.455 5.693 -7.675 1.00 0.00 C ATOM 532 O ARG A 544 -5.264 4.917 -8.614 1.00 0.00 O ATOM 533 CB ARG A 544 -7.603 6.482 -8.845 1.00 0.00 C ATOM 534 CG ARG A 544 -9.008 7.053 -8.619 1.00 0.00 C ATOM 535 CD ARG A 544 -9.780 6.212 -7.592 1.00 0.00 C ATOM 536 NE ARG A 544 -11.132 5.908 -8.054 1.00 0.00 N ATOM 537 CZ ARG A 544 -12.237 6.580 -7.745 1.00 0.00 C ATOM 538 NH1 ARG A 544 -12.233 7.548 -6.826 1.00 0.00 N ATOM 539 NH2 ARG A 544 -13.350 6.268 -8.395 1.00 0.00 N ATOM 0 H ARG A 544 -7.233 7.917 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.352 5.838 -6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.081 7.089 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.684 5.476 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -8.935 8.083 -8.271 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.553 7.073 -9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.242 5.283 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.831 6.749 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.239 5.104 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -11.368 7.788 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -13.095 8.048 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -13.338 5.535 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -14.218 6.761 -8.186 1.00 0.00 H new ATOM 553 N LYS A 545 -4.527 5.943 -6.755 1.00 0.00 N ATOM 554 CA LYS A 545 -3.195 5.359 -6.771 1.00 0.00 C ATOM 555 C LYS A 545 -3.254 3.976 -6.129 1.00 0.00 C ATOM 556 O LYS A 545 -3.482 3.875 -4.926 1.00 0.00 O ATOM 557 CB LYS A 545 -2.203 6.344 -6.130 1.00 0.00 C ATOM 558 CG LYS A 545 -1.916 7.430 -7.188 1.00 0.00 C ATOM 559 CD LYS A 545 -1.000 8.575 -6.767 1.00 0.00 C ATOM 560 CE LYS A 545 -0.904 9.540 -7.965 1.00 0.00 C ATOM 561 NZ LYS A 545 0.090 10.611 -7.766 1.00 0.00 N ATOM 0 H LYS A 545 -4.686 6.568 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.826 5.197 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.624 6.785 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.285 5.835 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.477 6.947 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.868 7.856 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.400 9.086 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -0.014 8.199 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -0.646 8.974 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -1.882 9.988 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 0.109 11.227 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 -0.167 11.172 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 1.030 10.190 -7.625 1.00 0.00 H new ATOM 575 N LEU A 546 -3.063 2.933 -6.951 1.00 0.00 N ATOM 576 CA LEU A 546 -3.086 1.507 -6.604 1.00 0.00 C ATOM 577 C LEU A 546 -2.379 1.284 -5.259 1.00 0.00 C ATOM 578 O LEU A 546 -1.287 1.811 -5.017 1.00 0.00 O ATOM 579 CB LEU A 546 -2.347 0.704 -7.698 1.00 0.00 C ATOM 580 CG LEU A 546 -2.094 -0.778 -7.330 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.403 -1.551 -7.164 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.245 -1.508 -8.371 1.00 0.00 C ATOM 0 H LEU A 546 -2.876 3.075 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 546 -4.121 1.174 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.928 0.745 -8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.391 1.185 -7.903 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.552 -0.748 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.184 -2.587 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -3.995 -1.097 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.964 -1.521 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.100 -2.543 -8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.753 -1.486 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.276 -1.016 -8.460 1.00 0.00 H new ATOM 594 N MET A 547 -2.951 0.415 -4.435 1.00 0.00 N ATOM 595 CA MET A 547 -2.518 0.148 -3.079 1.00 0.00 C ATOM 596 C MET A 547 -2.140 -1.340 -2.965 1.00 0.00 C ATOM 597 O MET A 547 -3.001 -2.168 -2.676 1.00 0.00 O ATOM 598 CB MET A 547 -3.676 0.596 -2.174 1.00 0.00 C ATOM 599 CG MET A 547 -3.246 0.982 -0.763 1.00 0.00 C ATOM 600 SD MET A 547 -4.331 2.226 -0.023 1.00 0.00 S ATOM 601 CE MET A 547 -3.636 2.326 1.638 1.00 0.00 C ATOM 0 H MET A 547 -3.760 -0.142 -4.709 1.00 0.00 H new ATOM 0 HA MET A 547 -1.623 0.692 -2.776 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.176 1.447 -2.636 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.408 -0.209 -2.112 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.237 0.092 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.226 1.364 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 547 -4.186 3.067 2.218 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.714 1.354 2.124 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.588 2.618 1.577 1.00 0.00 H new ATOM 611 N PRO A 548 -0.897 -1.756 -3.263 1.00 0.00 N ATOM 612 CA PRO A 548 -0.516 -3.158 -3.138 1.00 0.00 C ATOM 613 C PRO A 548 -0.391 -3.546 -1.660 1.00 0.00 C ATOM 614 O PRO A 548 0.180 -2.784 -0.866 1.00 0.00 O ATOM 615 CB PRO A 548 0.790 -3.309 -3.913 1.00 0.00 C ATOM 616 CG PRO A 548 1.372 -1.898 -4.009 1.00 0.00 C ATOM 617 CD PRO A 548 0.233 -0.937 -3.658 1.00 0.00 C ATOM 0 HA PRO A 548 -1.266 -3.834 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.476 -3.983 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.613 -3.729 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.209 -1.776 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 548 1.751 -1.701 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.527 -0.267 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.023 -0.311 -4.513 1.00 0.00 H new ATOM 625 N ILE A 549 -0.909 -4.728 -1.306 1.00 0.00 N ATOM 626 CA ILE A 549 -1.003 -5.237 0.057 1.00 0.00 C ATOM 627 C ILE A 549 -0.650 -6.723 0.048 1.00 0.00 C ATOM 628 O ILE A 549 -1.074 -7.454 -0.843 1.00 0.00 O ATOM 629 CB ILE A 549 -2.436 -5.065 0.614 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.052 -3.664 0.479 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.521 -5.511 2.077 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.402 -2.586 1.341 1.00 0.00 C ATOM 0 H ILE A 549 -1.288 -5.379 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.315 -4.678 0.691 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.032 -5.712 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.993 -3.357 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.110 -3.723 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.540 -5.378 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.243 -6.562 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -1.840 -4.911 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.907 -1.634 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.484 -2.862 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.350 -2.490 1.072 1.00 0.00 H new ATOM 644 N CYS A 550 0.028 -7.198 1.092 1.00 0.00 N ATOM 645 CA CYS A 550 0.150 -8.629 1.322 1.00 0.00 C ATOM 646 C CYS A 550 -1.075 -9.124 2.096 1.00 0.00 C ATOM 647 O CYS A 550 -1.272 -8.721 3.240 1.00 0.00 O ATOM 648 CB CYS A 550 1.438 -8.937 2.091 1.00 0.00 C ATOM 649 SG CYS A 550 1.928 -10.634 1.683 1.00 0.00 S ATOM 0 H CYS A 550 0.497 -6.614 1.785 1.00 0.00 H new ATOM 0 HA CYS A 550 0.198 -9.147 0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.225 -8.235 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.278 -8.832 3.164 1.00 0.00 H new ATOM 0 HG CYS A 550 2.420 -10.666 0.480 1.00 0.00 H new ATOM 655 N MET A 551 -1.854 -10.046 1.522 1.00 0.00 N ATOM 656 CA MET A 551 -3.030 -10.653 2.166 1.00 0.00 C ATOM 657 C MET A 551 -2.722 -11.401 3.477 1.00 0.00 C ATOM 658 O MET A 551 -3.646 -11.833 4.174 1.00 0.00 O ATOM 659 CB MET A 551 -3.721 -11.603 1.177 1.00 0.00 C ATOM 660 CG MET A 551 -2.813 -12.778 0.772 1.00 0.00 C ATOM 661 SD MET A 551 -3.569 -14.043 -0.281 1.00 0.00 S ATOM 662 CE MET A 551 -4.090 -13.067 -1.711 1.00 0.00 C ATOM 0 H MET A 551 -1.685 -10.400 0.580 1.00 0.00 H new ATOM 0 HA MET A 551 -3.686 -9.827 2.441 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.636 -11.990 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 551 -4.014 -11.048 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.942 -12.376 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.450 -13.260 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.587 -13.715 -2.432 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.780 -12.288 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.217 -12.609 -2.176 1.00 0.00 H new ATOM 672 N ASP A 552 -1.438 -11.615 3.762 1.00 0.00 N ATOM 673 CA ASP A 552 -0.909 -12.239 4.963 1.00 0.00 C ATOM 674 C ASP A 552 -1.128 -11.396 6.211 1.00 0.00 C ATOM 675 O ASP A 552 -1.588 -11.943 7.212 1.00 0.00 O ATOM 676 CB ASP A 552 0.585 -12.493 4.750 1.00 0.00 C ATOM 677 CG ASP A 552 1.375 -12.705 6.035 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.138 -13.717 6.723 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.260 -11.865 6.311 1.00 0.00 O ATOM 0 H ASP A 552 -0.698 -11.338 3.117 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.445 -13.174 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.705 -13.370 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.012 -11.648 4.210 1.00 0.00 H new ATOM 684 N VAL A 553 -0.795 -10.099 6.173 1.00 0.00 N ATOM 685 CA VAL A 553 -0.769 -9.244 7.359 1.00 0.00 C ATOM 686 C VAL A 553 -2.189 -8.975 7.830 1.00 0.00 C ATOM 687 O VAL A 553 -2.792 -7.957 7.496 1.00 0.00 O ATOM 688 CB VAL A 553 0.077 -7.972 7.151 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.148 -7.298 5.802 1.00 0.00 C ATOM 690 CG2 VAL A 553 0.121 -7.016 8.340 1.00 0.00 C ATOM 0 H VAL A 553 -0.536 -9.615 5.314 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.259 -9.772 8.164 1.00 0.00 H new ATOM 0 HB VAL A 553 1.100 -8.345 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.481 -6.411 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 553 0.109 -7.992 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 553 -1.195 -7.009 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 553 0.741 -6.155 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 553 -0.889 -6.680 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 553 0.542 -7.529 9.204 1.00 0.00 H new ATOM 700 N ARG A 554 -2.740 -9.868 8.647 1.00 0.00 N ATOM 701 CA ARG A 554 -4.099 -9.743 9.160 1.00 0.00 C ATOM 702 C ARG A 554 -4.272 -8.460 9.962 1.00 0.00 C ATOM 703 O ARG A 554 -5.400 -7.997 10.114 1.00 0.00 O ATOM 704 CB ARG A 554 -4.442 -10.948 10.035 1.00 0.00 C ATOM 705 CG ARG A 554 -4.247 -12.310 9.369 1.00 0.00 C ATOM 706 CD ARG A 554 -5.114 -12.506 8.121 1.00 0.00 C ATOM 707 NE ARG A 554 -5.656 -13.868 8.073 1.00 0.00 N ATOM 708 CZ ARG A 554 -4.977 -15.010 7.929 1.00 0.00 C ATOM 709 NH1 ARG A 554 -3.685 -15.001 7.612 1.00 0.00 N ATOM 710 NH2 ARG A 554 -5.613 -16.160 8.122 1.00 0.00 N ATOM 0 H ARG A 554 -2.253 -10.703 8.973 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.777 -9.707 8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.829 -10.910 10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.481 -10.862 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.198 -12.426 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.477 -13.095 10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -5.931 -11.784 8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -4.521 -12.314 7.227 1.00 0.00 H new ATOM 0 HE ARG A 554 -6.669 -13.954 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -3.200 -14.114 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -3.180 -15.881 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -6.601 -16.160 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -5.113 -17.043 8.017 1.00 0.00 H new ATOM 724 N ALA A 555 -3.182 -7.863 10.444 1.00 0.00 N ATOM 725 CA ALA A 555 -3.190 -6.534 11.014 1.00 0.00 C ATOM 726 C ALA A 555 -3.704 -5.502 10.007 1.00 0.00 C ATOM 727 O ALA A 555 -4.688 -4.808 10.288 1.00 0.00 O ATOM 728 CB ALA A 555 -1.793 -6.209 11.550 1.00 0.00 C ATOM 0 H ALA A 555 -2.261 -8.302 10.445 1.00 0.00 H new ATOM 0 HA ALA A 555 -3.885 -6.495 11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -1.793 -5.208 11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.519 -6.934 12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.071 -6.253 10.735 1.00 0.00 H new ATOM 734 N ILE A 556 -3.081 -5.431 8.830 1.00 0.00 N ATOM 735 CA ILE A 556 -3.503 -4.545 7.749 1.00 0.00 C ATOM 736 C ILE A 556 -4.891 -4.989 7.263 1.00 0.00 C ATOM 737 O ILE A 556 -5.787 -4.154 7.103 1.00 0.00 O ATOM 738 CB ILE A 556 -2.401 -4.571 6.669 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.138 -3.827 7.156 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.857 -4.038 5.303 1.00 0.00 C ATOM 741 CD1 ILE A 556 -1.228 -2.302 7.215 1.00 0.00 C ATOM 0 H ILE A 556 -2.262 -5.993 8.600 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.616 -3.507 8.063 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.161 -5.623 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.888 -4.193 8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.309 -4.095 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.028 -4.088 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.685 -4.644 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.183 -3.003 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.282 -1.895 7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -1.439 -1.911 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -2.027 -2.011 7.896 1.00 0.00 H new ATOM 753 N MET A 557 -5.106 -6.296 7.081 1.00 0.00 N ATOM 754 CA MET A 557 -6.299 -6.785 6.393 1.00 0.00 C ATOM 755 C MET A 557 -7.545 -6.558 7.249 1.00 0.00 C ATOM 756 O MET A 557 -8.586 -6.163 6.733 1.00 0.00 O ATOM 757 CB MET A 557 -6.185 -8.262 5.978 1.00 0.00 C ATOM 758 CG MET A 557 -4.979 -8.627 5.099 1.00 0.00 C ATOM 759 SD MET A 557 -4.623 -7.475 3.755 1.00 0.00 S ATOM 760 CE MET A 557 -6.052 -7.797 2.711 1.00 0.00 C ATOM 0 H MET A 557 -4.472 -7.029 7.400 1.00 0.00 H new ATOM 0 HA MET A 557 -6.390 -6.208 5.473 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.147 -8.870 6.882 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.094 -8.540 5.445 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.097 -8.701 5.735 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.148 -9.616 4.672 1.00 0.00 H new ATOM 0 HE1 MET A 557 -5.733 -8.315 1.807 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.766 -8.418 3.252 1.00 0.00 H new ATOM 0 HE3 MET A 557 -6.525 -6.853 2.440 1.00 0.00 H new ATOM 770 N ALA A 558 -7.461 -6.725 8.570 1.00 0.00 N ATOM 771 CA ALA A 558 -8.592 -6.444 9.454 1.00 0.00 C ATOM 772 C ALA A 558 -8.913 -4.948 9.537 1.00 0.00 C ATOM 773 O ALA A 558 -9.941 -4.576 10.100 1.00 0.00 O ATOM 774 CB ALA A 558 -8.310 -6.997 10.847 1.00 0.00 C ATOM 0 H ALA A 558 -6.623 -7.053 9.050 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.467 -6.937 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.156 -6.785 11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.159 -8.075 10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.413 -6.527 11.250 1.00 0.00 H new ATOM 780 N THR A 559 -8.066 -4.080 8.981 1.00 0.00 N ATOM 781 CA THR A 559 -8.430 -2.693 8.754 1.00 0.00 C ATOM 782 C THR A 559 -9.199 -2.570 7.426 1.00 0.00 C ATOM 783 O THR A 559 -10.272 -1.962 7.413 1.00 0.00 O ATOM 784 CB THR A 559 -7.183 -1.793 8.843 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.417 -2.108 10.001 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.604 -0.323 8.949 1.00 0.00 C ATOM 0 H THR A 559 -7.121 -4.321 8.681 1.00 0.00 H new ATOM 0 HA THR A 559 -9.105 -2.342 9.535 1.00 0.00 H new ATOM 0 HB THR A 559 -6.588 -1.960 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 559 -5.949 -2.958 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.716 0.306 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.184 -0.046 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.212 -0.182 9.843 1.00 0.00 H new ATOM 794 N ILE A 560 -8.692 -3.127 6.316 1.00 0.00 N ATOM 795 CA ILE A 560 -9.308 -2.990 4.992 1.00 0.00 C ATOM 796 C ILE A 560 -10.655 -3.730 4.964 1.00 0.00 C ATOM 797 O ILE A 560 -11.686 -3.082 4.797 1.00 0.00 O ATOM 798 CB ILE A 560 -8.350 -3.443 3.865 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.035 -2.631 3.866 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.029 -3.278 2.487 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.929 -3.325 3.065 1.00 0.00 C ATOM 0 H ILE A 560 -7.840 -3.687 6.314 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.506 -1.935 4.802 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.114 -4.491 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.220 -1.642 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.701 -2.484 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.344 -3.600 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.933 -3.886 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.290 -2.231 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.024 -2.718 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.724 -4.303 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.251 -3.448 2.031 1.00 0.00 H new ATOM 813 N GLN A 561 -10.681 -5.055 5.143 1.00 0.00 N ATOM 814 CA GLN A 561 -11.875 -5.887 5.049 1.00 0.00 C ATOM 815 C GLN A 561 -12.947 -5.579 6.105 1.00 0.00 C ATOM 816 O GLN A 561 -14.025 -6.158 6.071 1.00 0.00 O ATOM 817 CB GLN A 561 -11.488 -7.368 5.078 1.00 0.00 C ATOM 818 CG GLN A 561 -10.861 -7.877 3.767 1.00 0.00 C ATOM 819 CD GLN A 561 -9.643 -7.085 3.312 1.00 0.00 C ATOM 820 OE1 GLN A 561 -8.684 -6.938 4.049 1.00 0.00 O ATOM 821 NE2 GLN A 561 -9.659 -6.522 2.116 1.00 0.00 N ATOM 0 H GLN A 561 -9.842 -5.591 5.364 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.338 -5.644 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -10.784 -7.533 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.376 -7.961 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -10.575 -8.921 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -11.615 -7.847 2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.465 -6.649 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -8.866 -5.961 1.806 1.00 0.00 H new ATOM 830 N ARG A 562 -12.661 -4.682 7.050 1.00 0.00 N ATOM 831 CA ARG A 562 -13.641 -4.118 7.972 1.00 0.00 C ATOM 832 C ARG A 562 -14.173 -2.775 7.477 1.00 0.00 C ATOM 833 O ARG A 562 -15.361 -2.504 7.641 1.00 0.00 O ATOM 834 CB ARG A 562 -12.960 -4.031 9.342 1.00 0.00 C ATOM 835 CG ARG A 562 -13.807 -3.462 10.485 1.00 0.00 C ATOM 836 CD ARG A 562 -13.628 -1.946 10.658 1.00 0.00 C ATOM 837 NE ARG A 562 -13.939 -1.514 12.031 1.00 0.00 N ATOM 838 CZ ARG A 562 -13.189 -1.683 13.128 1.00 0.00 C ATOM 839 NH1 ARG A 562 -12.022 -2.321 13.072 1.00 0.00 N ATOM 840 NH2 ARG A 562 -13.622 -1.201 14.284 1.00 0.00 N ATOM 0 H ARG A 562 -11.718 -4.321 7.197 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.525 -4.751 8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.631 -5.031 9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.065 -3.417 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.858 -3.680 10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.539 -3.964 11.415 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -12.602 -1.670 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.275 -1.421 9.956 1.00 0.00 H new ATOM 0 HE ARG A 562 -14.828 -1.031 12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -11.685 -2.691 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -11.465 -2.440 13.918 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -14.515 -0.710 14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -13.063 -1.321 15.128 1.00 0.00 H new ATOM 854 N LYS A 563 -13.305 -1.928 6.908 1.00 0.00 N ATOM 855 CA LYS A 563 -13.641 -0.624 6.338 1.00 0.00 C ATOM 856 C LYS A 563 -14.653 -0.786 5.210 1.00 0.00 C ATOM 857 O LYS A 563 -15.702 -0.149 5.235 1.00 0.00 O ATOM 858 CB LYS A 563 -12.358 0.051 5.810 1.00 0.00 C ATOM 859 CG LYS A 563 -12.557 1.420 5.123 1.00 0.00 C ATOM 860 CD LYS A 563 -12.456 2.650 6.027 1.00 0.00 C ATOM 861 CE LYS A 563 -11.071 2.710 6.684 1.00 0.00 C ATOM 862 NZ LYS A 563 -11.146 2.453 8.139 1.00 0.00 N ATOM 0 H LYS A 563 -12.311 -2.144 6.831 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.085 0.002 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.668 0.180 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.879 -0.625 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -11.816 1.516 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.537 1.425 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.630 3.554 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.229 2.612 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.415 1.975 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.627 3.690 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.185 2.367 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.638 3.241 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -11.668 1.570 8.309 1.00 0.00 H new ATOM 876 N TYR A 564 -14.273 -1.517 4.168 1.00 0.00 N ATOM 877 CA TYR A 564 -14.935 -1.475 2.868 1.00 0.00 C ATOM 878 C TYR A 564 -16.062 -2.494 2.894 1.00 0.00 C ATOM 879 O TYR A 564 -16.018 -3.501 2.200 1.00 0.00 O ATOM 880 CB TYR A 564 -13.901 -1.740 1.770 1.00 0.00 C ATOM 881 CG TYR A 564 -12.922 -0.600 1.564 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.255 0.431 0.672 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.708 -0.544 2.276 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.369 1.501 0.460 1.00 0.00 C ATOM 885 CE2 TYR A 564 -10.821 0.533 2.092 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.147 1.557 1.168 1.00 0.00 C ATOM 887 OH TYR A 564 -10.305 2.606 0.966 1.00 0.00 O ATOM 0 H TYR A 564 -13.486 -2.165 4.202 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.369 -0.498 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.345 -2.644 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.422 -1.933 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.198 0.402 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.456 -1.334 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.622 2.280 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -9.898 0.579 2.651 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.040 2.984 1.830 1.00 0.00 H new ATOM 897 N LYS A 565 -17.053 -2.268 3.752 1.00 0.00 N ATOM 898 CA LYS A 565 -17.991 -3.223 4.252 1.00 0.00 C ATOM 899 C LYS A 565 -17.427 -4.620 4.480 1.00 0.00 C ATOM 900 O LYS A 565 -16.238 -4.819 4.692 1.00 0.00 O ATOM 901 CB LYS A 565 -19.269 -3.079 3.438 1.00 0.00 C ATOM 902 CG LYS A 565 -19.159 -3.827 2.116 1.00 0.00 C ATOM 903 CD LYS A 565 -20.457 -4.383 1.526 1.00 0.00 C ATOM 904 CE LYS A 565 -20.530 -5.864 1.907 1.00 0.00 C ATOM 905 NZ LYS A 565 -21.523 -6.611 1.121 1.00 0.00 N ATOM 0 H LYS A 565 -17.219 -1.337 4.134 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.254 -3.006 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -20.114 -3.464 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.467 -2.024 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.713 -3.156 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -18.465 -4.657 2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.319 -3.842 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.469 -4.263 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.549 -6.318 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.774 -5.950 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.527 -7.606 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -22.466 -6.199 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -21.279 -6.556 0.112 1.00 0.00 H new ATOM 919 N GLY A 566 -18.345 -5.571 4.483 1.00 0.00 N ATOM 920 CA GLY A 566 -18.228 -6.990 4.274 1.00 0.00 C ATOM 921 C GLY A 566 -17.313 -7.514 3.168 1.00 0.00 C ATOM 922 O GLY A 566 -17.498 -8.681 2.814 1.00 0.00 O ATOM 0 H GLY A 566 -19.319 -5.322 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -17.893 -7.432 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.229 -7.375 4.080 1.00 0.00 H new ATOM 926 N ILE A 567 -16.429 -6.717 2.563 1.00 0.00 N ATOM 927 CA ILE A 567 -15.553 -7.193 1.476 1.00 0.00 C ATOM 928 C ILE A 567 -14.802 -8.471 1.894 1.00 0.00 C ATOM 929 O ILE A 567 -14.353 -8.601 3.038 1.00 0.00 O ATOM 930 CB ILE A 567 -14.621 -6.058 1.008 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.839 -6.336 -0.282 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.703 -5.581 2.129 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.396 -6.777 -0.129 1.00 0.00 C ATOM 0 H ILE A 567 -16.297 -5.735 2.805 1.00 0.00 H new ATOM 0 HA ILE A 567 -16.161 -7.473 0.616 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.300 -5.248 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -14.371 -7.105 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.854 -5.431 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.062 -4.781 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.305 -5.210 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.086 -6.411 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.959 -6.940 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -11.833 -6.004 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.358 -7.704 0.443 1.00 0.00 H new ATOM 945 N LYS A 568 -14.669 -9.432 0.979 1.00 0.00 N ATOM 946 CA LYS A 568 -14.108 -10.764 1.213 1.00 0.00 C ATOM 947 C LYS A 568 -12.767 -10.849 0.502 1.00 0.00 C ATOM 948 O LYS A 568 -12.709 -10.457 -0.651 1.00 0.00 O ATOM 949 CB LYS A 568 -15.088 -11.780 0.615 1.00 0.00 C ATOM 950 CG LYS A 568 -14.730 -13.248 0.865 1.00 0.00 C ATOM 951 CD LYS A 568 -15.723 -14.115 0.083 1.00 0.00 C ATOM 952 CE LYS A 568 -15.391 -15.601 0.176 1.00 0.00 C ATOM 953 NZ LYS A 568 -16.203 -16.383 -0.775 1.00 0.00 N ATOM 0 H LYS A 568 -14.962 -9.298 0.011 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.962 -10.963 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.080 -11.589 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.149 -11.614 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -13.709 -13.452 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.780 -13.477 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -16.730 -13.945 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -15.723 -13.810 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -14.332 -15.755 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -15.571 -15.955 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -15.959 -17.391 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -17.212 -16.252 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -16.011 -16.058 -1.744 1.00 0.00 H new ATOM 967 N ILE A 569 -11.696 -11.308 1.155 1.00 0.00 N ATOM 968 CA ILE A 569 -10.358 -11.486 0.575 1.00 0.00 C ATOM 969 C ILE A 569 -10.429 -12.210 -0.775 1.00 0.00 C ATOM 970 O ILE A 569 -11.267 -13.080 -1.005 1.00 0.00 O ATOM 971 CB ILE A 569 -9.385 -12.196 1.546 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.239 -11.457 2.889 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.980 -12.370 0.928 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.574 -10.085 2.774 1.00 0.00 C ATOM 0 H ILE A 569 -11.736 -11.576 2.138 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.954 -10.489 0.400 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.829 -13.174 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.226 -11.335 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.656 -12.076 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.328 -12.873 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.053 -12.969 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.566 -11.392 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.508 -9.629 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.572 -10.200 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.167 -9.447 2.119 1.00 0.00 H new ATOM 986 N GLN A 570 -9.520 -11.809 -1.658 1.00 0.00 N ATOM 987 CA GLN A 570 -9.413 -12.171 -3.056 1.00 0.00 C ATOM 988 C GLN A 570 -7.934 -12.467 -3.329 1.00 0.00 C ATOM 989 O GLN A 570 -7.125 -12.484 -2.396 1.00 0.00 O ATOM 990 CB GLN A 570 -9.890 -10.986 -3.905 1.00 0.00 C ATOM 991 CG GLN A 570 -11.271 -10.418 -3.537 1.00 0.00 C ATOM 992 CD GLN A 570 -11.224 -9.069 -2.802 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.676 -8.948 -1.590 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.721 -8.084 -3.337 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.777 -11.166 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 570 -10.022 -13.041 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.155 -10.185 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -9.911 -11.296 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -11.858 -10.302 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.794 -11.142 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -12.142 -8.164 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.713 -7.184 -2.857 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.556 -12.645 -4.588 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.176 -12.677 -5.038 1.00 0.00 C ATOM 1005 C GLU A 571 -6.054 -11.777 -6.267 1.00 0.00 C ATOM 1006 O GLU A 571 -7.060 -11.479 -6.919 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.842 -14.127 -5.377 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.343 -14.451 -5.379 1.00 0.00 C ATOM 1009 CD GLU A 571 -4.121 -15.800 -6.053 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -4.547 -16.823 -5.468 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -3.611 -15.798 -7.198 1.00 0.00 O ATOM 0 H GLU A 571 -8.225 -12.775 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.484 -12.317 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -6.341 -14.779 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -6.253 -14.361 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.792 -13.673 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.963 -14.475 -4.358 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.830 -11.398 -6.617 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.566 -10.564 -7.773 1.00 0.00 C ATOM 1020 C GLY A 572 -4.995 -9.128 -7.505 1.00 0.00 C ATOM 1021 O GLY A 572 -5.015 -8.646 -6.369 1.00 0.00 O ATOM 0 H GLY A 572 -3.992 -11.665 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.503 -10.593 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.101 -10.954 -8.639 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.291 -8.417 -8.586 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.921 -7.110 -8.534 1.00 0.00 C ATOM 1027 C ILE A 573 -7.220 -7.212 -7.733 1.00 0.00 C ATOM 1028 O ILE A 573 -7.998 -8.154 -7.901 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.112 -6.616 -9.987 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.857 -5.802 -10.361 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.421 -5.851 -10.238 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.756 -5.454 -11.845 1.00 0.00 C ATOM 0 H ILE A 573 -5.096 -8.739 -9.534 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.306 -6.372 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.217 -7.482 -10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.850 -4.879 -9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.971 -6.367 -10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.468 -5.544 -11.283 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.269 -6.497 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -7.455 -4.969 -9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.846 -4.882 -12.023 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.729 -6.372 -12.433 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.621 -4.860 -12.139 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.475 -6.195 -6.913 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.718 -6.009 -6.200 1.00 0.00 C ATOM 1046 C VAL A 574 -9.242 -4.635 -6.578 1.00 0.00 C ATOM 1047 O VAL A 574 -8.533 -3.631 -6.499 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.455 -6.241 -4.695 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.545 -5.655 -3.786 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.321 -7.746 -4.442 1.00 0.00 C ATOM 0 H VAL A 574 -6.794 -5.459 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.499 -6.722 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.533 -5.717 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.296 -5.855 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.610 -4.578 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.504 -6.115 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.135 -7.922 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.243 -8.248 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.490 -8.141 -5.027 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.489 -4.604 -7.031 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.279 -3.405 -7.233 1.00 0.00 C ATOM 1062 C ASP A 575 -12.405 -3.480 -6.227 1.00 0.00 C ATOM 1063 O ASP A 575 -13.367 -4.219 -6.455 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.833 -3.357 -8.659 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.965 -2.323 -8.792 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -12.910 -1.263 -8.122 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -13.919 -2.578 -9.559 1.00 0.00 O ATOM 0 H ASP A 575 -10.996 -5.454 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.680 -2.504 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -11.030 -3.110 -9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.205 -4.343 -8.939 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.247 -2.794 -5.097 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.338 -2.675 -4.134 1.00 0.00 C ATOM 1074 C TYR A 576 -13.100 -1.440 -3.278 1.00 0.00 C ATOM 1075 O TYR A 576 -12.356 -1.488 -2.295 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.475 -3.957 -3.293 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.864 -4.206 -2.723 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.389 -3.397 -1.693 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.576 -5.351 -3.130 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.597 -3.743 -1.060 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.777 -5.707 -2.499 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.289 -4.915 -1.451 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.419 -5.311 -0.801 1.00 0.00 O ATOM 0 H TYR A 576 -11.386 -2.318 -4.828 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.287 -2.556 -4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -13.193 -4.810 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.763 -3.911 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.860 -2.506 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -15.194 -5.961 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.996 -3.115 -0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.311 -6.590 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.758 -6.136 -1.207 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.688 -0.311 -3.666 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.571 0.956 -2.954 1.00 0.00 C ATOM 1095 C GLY A 577 -12.284 1.692 -3.303 1.00 0.00 C ATOM 1096 O GLY A 577 -12.314 2.905 -3.510 1.00 0.00 O ATOM 0 H GLY A 577 -14.271 -0.252 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.426 1.587 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.603 0.772 -1.880 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.175 0.972 -3.404 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.858 1.404 -3.843 1.00 0.00 C ATOM 1102 C VAL A 578 -9.319 0.251 -4.676 1.00 0.00 C ATOM 1103 O VAL A 578 -9.650 -0.919 -4.446 1.00 0.00 O ATOM 1104 CB VAL A 578 -9.008 1.751 -2.590 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.493 1.551 -2.716 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.250 3.209 -2.199 1.00 0.00 C ATOM 0 H VAL A 578 -11.176 -0.018 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.853 2.308 -4.452 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.344 1.038 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -7.010 1.827 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.281 0.505 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.109 2.179 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.654 3.454 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.962 3.860 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.306 3.355 -1.973 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.479 0.585 -5.655 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.612 -0.392 -6.275 1.00 0.00 C ATOM 1118 C ARG A 579 -6.639 -0.886 -5.226 1.00 0.00 C ATOM 1119 O ARG A 579 -5.726 -0.140 -4.864 1.00 0.00 O ATOM 1120 CB ARG A 579 -6.816 0.230 -7.436 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.579 0.139 -8.749 1.00 0.00 C ATOM 1122 CD ARG A 579 -6.695 0.198 -9.996 1.00 0.00 C ATOM 1123 NE ARG A 579 -7.472 -0.058 -11.220 1.00 0.00 N ATOM 1124 CZ ARG A 579 -7.728 -1.236 -11.805 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -7.312 -2.391 -11.288 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -8.413 -1.243 -12.943 1.00 0.00 N ATOM 0 H ARG A 579 -8.387 1.529 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.218 -1.206 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -6.600 1.275 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -5.858 -0.280 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -8.145 -0.792 -8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.303 0.953 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -6.222 1.178 -10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -5.895 -0.537 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 579 -7.864 0.764 -11.680 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -6.779 -2.398 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -7.526 -3.268 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -8.731 -0.365 -13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -8.621 -2.127 -13.408 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.799 -2.123 -4.779 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.751 -2.837 -4.079 1.00 0.00 C ATOM 1142 C PHE A 580 -5.115 -3.870 -5.021 1.00 0.00 C ATOM 1143 O PHE A 580 -5.631 -4.135 -6.108 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.319 -3.459 -2.801 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.796 -2.472 -1.742 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.883 -1.833 -0.882 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.168 -2.193 -1.602 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.329 -0.988 0.148 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.618 -1.331 -0.583 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.703 -0.744 0.308 1.00 0.00 C ATOM 0 H PHE A 580 -7.661 -2.657 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.958 -2.154 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.155 -4.104 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.554 -4.097 -2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.824 -1.995 -1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.880 -2.642 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.616 -0.527 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.673 -1.120 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.054 -0.110 1.109 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.001 -4.479 -4.615 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.367 -5.591 -5.321 1.00 0.00 C ATOM 1162 C PHE A 581 -2.840 -6.557 -4.275 1.00 0.00 C ATOM 1163 O PHE A 581 -1.912 -6.214 -3.542 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.252 -5.090 -6.248 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.334 -6.160 -6.803 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.731 -6.877 -7.942 1.00 0.00 C ATOM 1167 CD2 PHE A 581 -0.070 -6.403 -6.230 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.857 -7.798 -8.535 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.810 -7.331 -6.816 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.415 -8.017 -7.981 1.00 0.00 C ATOM 0 H PHE A 581 -3.504 -4.206 -3.767 1.00 0.00 H new ATOM 0 HA PHE A 581 -4.088 -6.099 -5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.709 -4.559 -7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.648 -4.365 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.713 -6.719 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.225 -5.874 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -1.162 -8.340 -9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 581 1.779 -7.516 -6.377 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.093 -8.714 -8.450 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.475 -7.719 -4.166 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.114 -8.785 -3.253 1.00 0.00 C ATOM 1182 C PHE A 582 -2.305 -9.833 -4.011 1.00 0.00 C ATOM 1183 O PHE A 582 -2.582 -10.144 -5.170 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.389 -9.389 -2.640 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.285 -8.459 -1.828 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.859 -7.178 -1.426 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.574 -8.893 -1.461 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.710 -6.343 -0.682 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.421 -8.063 -0.702 1.00 0.00 C ATOM 1190 CZ PHE A 582 -6.991 -6.782 -0.322 1.00 0.00 C ATOM 0 H PHE A 582 -4.288 -7.948 -4.737 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.501 -8.400 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -4.986 -9.810 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.094 -10.218 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -3.870 -6.835 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.916 -9.871 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.375 -5.360 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.401 -8.412 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.645 -6.137 0.246 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.313 -10.410 -3.349 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.424 -11.440 -3.875 1.00 0.00 C ATOM 1202 C TYR A 583 -0.145 -12.429 -2.747 1.00 0.00 C ATOM 1203 O TYR A 583 -0.359 -12.101 -1.574 1.00 0.00 O ATOM 1204 CB TYR A 583 0.865 -10.784 -4.398 1.00 0.00 C ATOM 1205 CG TYR A 583 1.541 -9.898 -3.374 1.00 0.00 C ATOM 1206 CD1 TYR A 583 1.205 -8.533 -3.283 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.450 -10.462 -2.465 1.00 0.00 C ATOM 1208 CE1 TYR A 583 1.774 -7.732 -2.281 1.00 0.00 C ATOM 1209 CE2 TYR A 583 3.018 -9.674 -1.456 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.675 -8.308 -1.362 1.00 0.00 C ATOM 1211 OH TYR A 583 3.215 -7.555 -0.377 1.00 0.00 O ATOM 0 H TYR A 583 -1.094 -10.162 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.877 -11.973 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.560 -11.563 -4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.631 -10.192 -5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 583 0.508 -8.102 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.712 -11.507 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 583 1.524 -6.683 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.714 -10.109 -0.754 1.00 0.00 H new ATOM 0 HH TYR A 583 3.813 -8.108 0.167 1.00 0.00 H new ATOM 1221 N THR A 584 0.315 -13.636 -3.080 1.00 0.00 N ATOM 1222 CA THR A 584 0.560 -14.660 -2.076 1.00 0.00 C ATOM 1223 C THR A 584 1.771 -14.271 -1.234 1.00 0.00 C ATOM 1224 O THR A 584 2.761 -13.763 -1.764 1.00 0.00 O ATOM 1225 CB THR A 584 0.688 -16.052 -2.721 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.855 -16.193 -3.511 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.531 -16.401 -3.585 1.00 0.00 C ATOM 0 H THR A 584 0.524 -13.923 -4.036 1.00 0.00 H new ATOM 0 HA THR A 584 -0.295 -14.726 -1.404 1.00 0.00 H new ATOM 0 HB THR A 584 0.752 -16.743 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.884 -17.095 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.397 -17.391 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.429 -16.394 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.634 -15.665 -4.383 1.00 0.00 H new ATOM 1235 N SER A 585 1.748 -14.555 0.069 1.00 0.00 N ATOM 1236 CA SER A 585 2.900 -14.289 0.914 1.00 0.00 C ATOM 1237 C SER A 585 4.113 -15.149 0.543 1.00 0.00 C ATOM 1238 O SER A 585 5.226 -14.885 0.998 1.00 0.00 O ATOM 1239 CB SER A 585 2.517 -14.457 2.381 1.00 0.00 C ATOM 1240 OG SER A 585 3.323 -13.645 3.214 1.00 0.00 O ATOM 0 H SER A 585 0.950 -14.965 0.553 1.00 0.00 H new ATOM 0 HA SER A 585 3.205 -13.256 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 585 1.468 -14.196 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.626 -15.502 2.671 1.00 0.00 H new ATOM 0 HG SER A 585 3.177 -12.702 2.992 1.00 0.00 H new ATOM 1246 N LYS A 586 3.917 -16.180 -0.283 1.00 0.00 N ATOM 1247 CA LYS A 586 4.995 -16.974 -0.847 1.00 0.00 C ATOM 1248 C LYS A 586 5.735 -16.236 -1.957 1.00 0.00 C ATOM 1249 O LYS A 586 6.866 -16.627 -2.258 1.00 0.00 O ATOM 1250 CB LYS A 586 4.430 -18.322 -1.329 1.00 0.00 C ATOM 1251 CG LYS A 586 4.999 -19.415 -0.425 1.00 0.00 C ATOM 1252 CD LYS A 586 4.340 -20.782 -0.599 1.00 0.00 C ATOM 1253 CE LYS A 586 5.163 -21.731 0.274 1.00 0.00 C ATOM 1254 NZ LYS A 586 4.710 -23.132 0.221 1.00 0.00 N ATOM 0 H LYS A 586 2.990 -16.485 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 586 5.737 -17.158 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.341 -18.318 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.706 -18.503 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 586 6.067 -19.512 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 586 4.892 -19.103 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 586 3.297 -20.760 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 586 4.351 -21.096 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 586 6.206 -21.684 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 586 5.124 -21.385 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 5.313 -23.715 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 3.724 -23.191 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 4.773 -23.480 -0.757 1.00 0.00 H new ATOM 1268 N GLU A 587 5.156 -15.195 -2.555 1.00 0.00 N ATOM 1269 CA GLU A 587 5.839 -14.455 -3.607 1.00 0.00 C ATOM 1270 C GLU A 587 6.926 -13.543 -3.001 1.00 0.00 C ATOM 1271 O GLU A 587 6.606 -12.733 -2.123 1.00 0.00 O ATOM 1272 CB GLU A 587 4.819 -13.677 -4.439 1.00 0.00 C ATOM 1273 CG GLU A 587 5.501 -13.133 -5.699 1.00 0.00 C ATOM 1274 CD GLU A 587 4.521 -12.657 -6.771 1.00 0.00 C ATOM 1275 OE1 GLU A 587 3.439 -13.258 -6.956 1.00 0.00 O ATOM 1276 OE2 GLU A 587 4.870 -11.732 -7.537 1.00 0.00 O ATOM 0 H GLU A 587 4.223 -14.850 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 587 6.346 -15.150 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.987 -14.325 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.405 -12.857 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 587 6.152 -12.304 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.138 -13.910 -6.121 1.00 0.00 H new ATOM 1283 N PRO A 588 8.207 -13.667 -3.406 1.00 0.00 N ATOM 1284 CA PRO A 588 9.292 -12.808 -2.938 1.00 0.00 C ATOM 1285 C PRO A 588 9.078 -11.336 -3.244 1.00 0.00 C ATOM 1286 O PRO A 588 8.320 -10.945 -4.131 1.00 0.00 O ATOM 1287 CB PRO A 588 10.571 -13.283 -3.621 1.00 0.00 C ATOM 1288 CG PRO A 588 10.242 -14.677 -4.112 1.00 0.00 C ATOM 1289 CD PRO A 588 8.730 -14.665 -4.321 1.00 0.00 C ATOM 0 HA PRO A 588 9.343 -12.886 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 588 10.848 -12.627 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.411 -13.294 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.768 -14.905 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.536 -15.433 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.481 -14.417 -5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.300 -15.645 -4.116 1.00 0.00 H new ATOM 1297 N VAL A 589 9.841 -10.516 -2.533 1.00 0.00 N ATOM 1298 CA VAL A 589 9.773 -9.063 -2.643 1.00 0.00 C ATOM 1299 C VAL A 589 10.234 -8.656 -4.050 1.00 0.00 C ATOM 1300 O VAL A 589 9.628 -7.783 -4.670 1.00 0.00 O ATOM 1301 CB VAL A 589 10.631 -8.396 -1.536 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.436 -6.871 -1.493 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.338 -8.907 -0.120 1.00 0.00 C ATOM 0 H VAL A 589 10.531 -10.843 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 589 8.748 -8.720 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 589 11.650 -8.663 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 589 11.056 -6.447 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.725 -6.440 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.389 -6.644 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.980 -8.390 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.294 -8.716 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.532 -9.979 -0.072 1.00 0.00 H new ATOM 1313 N ALA A 590 11.272 -9.307 -4.583 1.00 0.00 N ATOM 1314 CA ALA A 590 11.760 -9.032 -5.930 1.00 0.00 C ATOM 1315 C ALA A 590 10.697 -9.366 -6.980 1.00 0.00 C ATOM 1316 O ALA A 590 10.521 -8.638 -7.958 1.00 0.00 O ATOM 1317 CB ALA A 590 13.020 -9.852 -6.197 1.00 0.00 C ATOM 0 H ALA A 590 11.793 -10.035 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 590 11.989 -7.969 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.382 -9.645 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.789 -9.584 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.789 -10.913 -6.106 1.00 0.00 H new ATOM 1323 N SER A 591 9.992 -10.477 -6.785 1.00 0.00 N ATOM 1324 CA SER A 591 9.015 -11.001 -7.705 1.00 0.00 C ATOM 1325 C SER A 591 7.766 -10.119 -7.749 1.00 0.00 C ATOM 1326 O SER A 591 7.240 -9.900 -8.844 1.00 0.00 O ATOM 1327 CB SER A 591 8.723 -12.426 -7.244 1.00 0.00 C ATOM 1328 OG SER A 591 9.947 -13.127 -7.077 1.00 0.00 O ATOM 0 H SER A 591 10.097 -11.050 -5.948 1.00 0.00 H new ATOM 0 HA SER A 591 9.386 -11.008 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.169 -12.410 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 591 8.096 -12.936 -7.976 1.00 0.00 H new ATOM 0 HG SER A 591 9.777 -14.092 -7.096 1.00 0.00 H new ATOM 1334 N ILE A 592 7.319 -9.548 -6.618 1.00 0.00 N ATOM 1335 CA ILE A 592 6.228 -8.589 -6.675 1.00 0.00 C ATOM 1336 C ILE A 592 6.715 -7.275 -7.305 1.00 0.00 C ATOM 1337 O ILE A 592 5.976 -6.650 -8.061 1.00 0.00 O ATOM 1338 CB ILE A 592 5.519 -8.413 -5.317 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.266 -7.557 -4.278 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.148 -9.727 -4.623 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.457 -6.296 -4.002 1.00 0.00 C ATOM 0 H ILE A 592 7.689 -9.732 -5.685 1.00 0.00 H new ATOM 0 HA ILE A 592 5.450 -8.985 -7.328 1.00 0.00 H new ATOM 0 HB ILE A 592 4.621 -7.882 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.409 -8.122 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.257 -7.295 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.654 -9.511 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.474 -10.298 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.051 -10.308 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 592 5.978 -5.683 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.337 -5.731 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.476 -6.571 -3.615 1.00 0.00 H new ATOM 1353 N ILE A 593 7.969 -6.867 -7.063 1.00 0.00 N ATOM 1354 CA ILE A 593 8.558 -5.682 -7.680 1.00 0.00 C ATOM 1355 C ILE A 593 8.540 -5.819 -9.205 1.00 0.00 C ATOM 1356 O ILE A 593 7.990 -4.944 -9.870 1.00 0.00 O ATOM 1357 CB ILE A 593 9.952 -5.391 -7.065 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.736 -4.669 -5.715 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.850 -4.563 -7.999 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.999 -4.507 -4.865 1.00 0.00 C ATOM 0 H ILE A 593 8.602 -7.356 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 593 7.959 -4.798 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 593 10.476 -6.335 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.317 -3.682 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.995 -5.222 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.813 -4.389 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.003 -5.106 -8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.372 -3.607 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.750 -3.990 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.410 -5.490 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.737 -3.926 -5.417 1.00 0.00 H new ATOM 1372 N THR A 594 9.074 -6.909 -9.771 1.00 0.00 N ATOM 1373 CA THR A 594 9.149 -7.094 -11.225 1.00 0.00 C ATOM 1374 C THR A 594 7.762 -7.141 -11.903 1.00 0.00 C ATOM 1375 O THR A 594 7.663 -7.083 -13.131 1.00 0.00 O ATOM 1376 CB THR A 594 10.046 -8.306 -11.553 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.753 -8.077 -12.758 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.253 -9.600 -11.698 1.00 0.00 C ATOM 0 H THR A 594 9.465 -7.684 -9.236 1.00 0.00 H new ATOM 0 HA THR A 594 9.619 -6.212 -11.659 1.00 0.00 H new ATOM 0 HB THR A 594 10.734 -8.418 -10.715 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.320 -8.851 -12.957 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.933 -10.420 -11.929 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.731 -9.813 -10.765 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.527 -9.493 -12.504 1.00 0.00 H new ATOM 1386 N LYS A 595 6.703 -7.256 -11.101 1.00 0.00 N ATOM 1387 CA LYS A 595 5.306 -7.240 -11.514 1.00 0.00 C ATOM 1388 C LYS A 595 4.776 -5.816 -11.460 1.00 0.00 C ATOM 1389 O LYS A 595 4.338 -5.304 -12.483 1.00 0.00 O ATOM 1390 CB LYS A 595 4.473 -8.193 -10.640 1.00 0.00 C ATOM 1391 CG LYS A 595 4.359 -9.569 -11.306 1.00 0.00 C ATOM 1392 CD LYS A 595 3.097 -10.330 -10.889 1.00 0.00 C ATOM 1393 CE LYS A 595 2.765 -11.336 -11.992 1.00 0.00 C ATOM 1394 NZ LYS A 595 1.351 -11.745 -11.951 1.00 0.00 N ATOM 0 H LYS A 595 6.806 -7.369 -10.093 1.00 0.00 H new ATOM 0 HA LYS A 595 5.226 -7.595 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.936 -8.295 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.479 -7.775 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 595 4.361 -9.444 -12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 595 5.236 -10.164 -11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.257 -10.843 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.267 -9.639 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 595 2.988 -10.896 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 595 3.401 -12.215 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 1.165 -12.427 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 1.144 -12.187 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 0.744 -10.910 -12.078 1.00 0.00 H new ATOM 1408 N LEU A 596 4.911 -5.130 -10.319 1.00 0.00 N ATOM 1409 CA LEU A 596 4.519 -3.728 -10.165 1.00 0.00 C ATOM 1410 C LEU A 596 5.127 -2.848 -11.265 1.00 0.00 C ATOM 1411 O LEU A 596 4.472 -1.934 -11.759 1.00 0.00 O ATOM 1412 CB LEU A 596 4.948 -3.193 -8.789 1.00 0.00 C ATOM 1413 CG LEU A 596 4.206 -3.784 -7.574 1.00 0.00 C ATOM 1414 CD1 LEU A 596 4.925 -3.340 -6.293 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.737 -3.359 -7.514 1.00 0.00 C ATOM 0 H LEU A 596 5.300 -5.539 -9.469 1.00 0.00 H new ATOM 0 HA LEU A 596 3.433 -3.686 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.015 -3.380 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.811 -2.112 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 596 4.217 -4.870 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 596 4.410 -3.752 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 596 5.953 -3.701 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.923 -2.252 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 596 2.265 -3.805 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.675 -2.273 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.224 -3.696 -8.414 1.00 0.00 H new ATOM 1427 N ASN A 597 6.364 -3.130 -11.683 1.00 0.00 N ATOM 1428 CA ASN A 597 7.039 -2.391 -12.756 1.00 0.00 C ATOM 1429 C ASN A 597 6.311 -2.522 -14.096 1.00 0.00 C ATOM 1430 O ASN A 597 6.357 -1.607 -14.916 1.00 0.00 O ATOM 1431 CB ASN A 597 8.464 -2.905 -12.969 1.00 0.00 C ATOM 1432 CG ASN A 597 9.349 -2.813 -11.743 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.318 -1.865 -10.964 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.154 -3.837 -11.570 1.00 0.00 N ATOM 0 H ASN A 597 6.929 -3.881 -11.285 1.00 0.00 H new ATOM 0 HA ASN A 597 7.044 -1.349 -12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.418 -3.945 -13.293 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.925 -2.339 -13.779 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.782 -3.862 -10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.151 -4.607 -12.239 1.00 0.00 H new ATOM 1441 N SER A 598 5.675 -3.664 -14.346 1.00 0.00 N ATOM 1442 CA SER A 598 4.869 -3.956 -15.525 1.00 0.00 C ATOM 1443 C SER A 598 3.443 -3.365 -15.475 1.00 0.00 C ATOM 1444 O SER A 598 2.713 -3.380 -16.470 1.00 0.00 O ATOM 1445 CB SER A 598 4.802 -5.473 -15.622 1.00 0.00 C ATOM 1446 OG SER A 598 5.657 -5.910 -16.653 1.00 0.00 O ATOM 0 H SER A 598 5.711 -4.450 -13.697 1.00 0.00 H new ATOM 0 HA SER A 598 5.333 -3.492 -16.396 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.096 -5.923 -14.674 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.779 -5.792 -15.822 1.00 0.00 H new ATOM 0 HG SER A 598 5.618 -6.887 -16.718 1.00 0.00 H new ATOM 1452 N LEU A 599 3.037 -2.822 -14.332 1.00 0.00 N ATOM 1453 CA LEU A 599 1.876 -1.971 -14.163 1.00 0.00 C ATOM 1454 C LEU A 599 2.352 -0.545 -14.418 1.00 0.00 C ATOM 1455 O LEU A 599 1.708 0.166 -15.187 1.00 0.00 O ATOM 1456 CB LEU A 599 1.280 -2.102 -12.748 1.00 0.00 C ATOM 1457 CG LEU A 599 1.013 -3.544 -12.274 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.544 -3.514 -10.819 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.022 -4.268 -13.138 1.00 0.00 C ATOM 0 H LEU A 599 3.538 -2.975 -13.457 1.00 0.00 H new ATOM 0 HA LEU A 599 1.084 -2.258 -14.855 1.00 0.00 H new ATOM 0 HB2 LEU A 599 1.958 -1.625 -12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.342 -1.547 -12.714 1.00 0.00 H new ATOM 0 HG LEU A 599 1.946 -4.100 -12.366 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.353 -4.531 -10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.316 -3.061 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.372 -2.928 -10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.170 -5.279 -12.758 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.967 -3.726 -13.105 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.333 -4.316 -14.168 1.00 0.00 H new ATOM 1471 N ASN A 600 3.496 -0.161 -13.817 1.00 0.00 N ATOM 1472 CA ASN A 600 4.146 1.162 -13.871 1.00 0.00 C ATOM 1473 C ASN A 600 3.220 2.309 -13.469 1.00 0.00 C ATOM 1474 O ASN A 600 3.517 3.480 -13.705 1.00 0.00 O ATOM 1475 CB ASN A 600 4.952 1.407 -15.167 1.00 0.00 C ATOM 1476 CG ASN A 600 4.292 0.918 -16.437 1.00 0.00 C ATOM 1477 OD1 ASN A 600 3.613 1.657 -17.139 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.520 -0.349 -16.762 1.00 0.00 N ATOM 0 H ASN A 600 4.027 -0.814 -13.241 1.00 0.00 H new ATOM 0 HA ASN A 600 4.907 1.144 -13.091 1.00 0.00 H new ATOM 0 HB2 ASN A 600 5.140 2.476 -15.263 1.00 0.00 H new ATOM 0 HB3 ASN A 600 5.922 0.920 -15.070 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.125 -0.735 -17.620 1.00 0.00 H new ATOM 0 HD22 ASN A 600 5.090 -0.937 -16.154 1.00 0.00 H new ATOM 1485 N GLU A 601 2.127 1.969 -12.793 1.00 0.00 N ATOM 1486 CA GLU A 601 1.140 2.884 -12.291 1.00 0.00 C ATOM 1487 C GLU A 601 1.588 3.401 -10.922 1.00 0.00 C ATOM 1488 O GLU A 601 2.265 2.685 -10.181 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.215 2.168 -12.175 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.607 1.485 -13.490 1.00 0.00 C ATOM 1491 CD GLU A 601 -2.122 1.400 -13.678 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.807 2.445 -13.721 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.642 0.264 -13.766 1.00 0.00 O ATOM 0 H GLU A 601 1.906 0.997 -12.576 1.00 0.00 H new ATOM 0 HA GLU A 601 1.032 3.726 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 601 -0.168 1.425 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.984 2.887 -11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.171 2.034 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -0.184 0.481 -13.514 1.00 0.00 H new ATOM 1500 N PRO A 602 1.180 4.622 -10.556 1.00 0.00 N ATOM 1501 CA PRO A 602 1.602 5.271 -9.328 1.00 0.00 C ATOM 1502 C PRO A 602 0.998 4.588 -8.105 1.00 0.00 C ATOM 1503 O PRO A 602 -0.223 4.457 -8.015 1.00 0.00 O ATOM 1504 CB PRO A 602 1.155 6.732 -9.457 1.00 0.00 C ATOM 1505 CG PRO A 602 0.069 6.715 -10.533 1.00 0.00 C ATOM 1506 CD PRO A 602 0.452 5.534 -11.415 1.00 0.00 C ATOM 0 HA PRO A 602 2.681 5.207 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.769 7.112 -8.511 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.986 7.376 -9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.922 6.586 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.050 7.647 -11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.433 5.055 -11.834 1.00 0.00 H new ATOM 0 HD3 PRO A 602 1.068 5.856 -12.255 1.00 0.00 H new ATOM 1514 N LEU A 603 1.840 4.172 -7.163 1.00 0.00 N ATOM 1515 CA LEU A 603 1.428 3.439 -5.974 1.00 0.00 C ATOM 1516 C LEU A 603 1.409 4.356 -4.751 1.00 0.00 C ATOM 1517 O LEU A 603 2.134 5.359 -4.694 1.00 0.00 O ATOM 1518 CB LEU A 603 2.415 2.291 -5.682 1.00 0.00 C ATOM 1519 CG LEU A 603 2.773 1.377 -6.866 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.815 0.364 -6.393 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.553 0.655 -7.436 1.00 0.00 C ATOM 0 H LEU A 603 2.845 4.339 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 603 0.429 3.046 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.337 2.724 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.995 1.673 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 603 3.171 1.994 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.083 -0.295 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.704 0.891 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.402 -0.228 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.861 0.023 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.100 0.038 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.827 1.389 -7.786 1.00 0.00 H new ATOM 1533 N VAL A 604 0.697 3.928 -3.710 1.00 0.00 N ATOM 1534 CA VAL A 604 0.894 4.381 -2.339 1.00 0.00 C ATOM 1535 C VAL A 604 0.903 3.132 -1.457 1.00 0.00 C ATOM 1536 O VAL A 604 -0.066 2.373 -1.412 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.145 5.454 -1.940 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.602 5.008 -2.092 1.00 0.00 C ATOM 1539 CG2 VAL A 604 0.070 5.942 -0.498 1.00 0.00 C ATOM 0 H VAL A 604 -0.050 3.240 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 604 1.846 4.896 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 604 0.025 6.267 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.264 5.820 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.796 4.748 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.784 4.138 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.679 6.695 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.024 5.101 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 604 1.065 6.376 -0.406 1.00 0.00 H new ATOM 1549 N THR A 605 2.018 2.865 -0.786 1.00 0.00 N ATOM 1550 CA THR A 605 2.088 1.795 0.201 1.00 0.00 C ATOM 1551 C THR A 605 3.204 2.094 1.203 1.00 0.00 C ATOM 1552 O THR A 605 3.591 3.249 1.383 1.00 0.00 O ATOM 1553 CB THR A 605 2.106 0.406 -0.486 1.00 0.00 C ATOM 1554 OG1 THR A 605 1.763 -0.641 0.410 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.388 0.080 -1.244 1.00 0.00 C ATOM 0 H THR A 605 2.891 3.379 -0.909 1.00 0.00 H new ATOM 0 HA THR A 605 1.184 1.751 0.808 1.00 0.00 H new ATOM 0 HB THR A 605 1.330 0.478 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.253 -1.327 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.305 -0.911 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.544 0.819 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.233 0.099 -0.555 1.00 0.00 H new ATOM 1563 N MET A 606 3.590 1.082 1.965 1.00 0.00 N ATOM 1564 CA MET A 606 4.594 1.098 3.021 1.00 0.00 C ATOM 1565 C MET A 606 5.790 0.283 2.501 1.00 0.00 C ATOM 1566 O MET A 606 5.705 -0.276 1.402 1.00 0.00 O ATOM 1567 CB MET A 606 3.974 0.461 4.278 1.00 0.00 C ATOM 1568 CG MET A 606 2.560 0.934 4.611 1.00 0.00 C ATOM 1569 SD MET A 606 1.579 -0.249 5.562 1.00 0.00 S ATOM 1570 CE MET A 606 0.518 -0.754 4.184 1.00 0.00 C ATOM 0 H MET A 606 3.178 0.156 1.853 1.00 0.00 H new ATOM 0 HA MET A 606 4.925 2.104 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 606 3.958 -0.621 4.148 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.621 0.670 5.130 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.625 1.867 5.171 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.036 1.157 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 606 0.021 -1.692 4.432 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.231 0.016 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 606 1.125 -0.890 3.289 1.00 0.00 H new ATOM 1580 N PRO A 607 6.899 0.122 3.243 1.00 0.00 N ATOM 1581 CA PRO A 607 7.923 -0.833 2.853 1.00 0.00 C ATOM 1582 C PRO A 607 7.340 -2.248 2.934 1.00 0.00 C ATOM 1583 O PRO A 607 7.283 -2.846 4.004 1.00 0.00 O ATOM 1584 CB PRO A 607 9.108 -0.578 3.776 1.00 0.00 C ATOM 1585 CG PRO A 607 8.518 0.106 5.000 1.00 0.00 C ATOM 1586 CD PRO A 607 7.272 0.807 4.473 1.00 0.00 C ATOM 0 HA PRO A 607 8.264 -0.723 1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.605 -1.510 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.855 0.053 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.270 -0.616 5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.220 0.817 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.464 0.761 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.471 1.862 4.284 1.00 0.00 H new ATOM 1594 N ILE A 608 6.826 -2.754 1.813 1.00 0.00 N ATOM 1595 CA ILE A 608 6.050 -3.982 1.732 1.00 0.00 C ATOM 1596 C ILE A 608 6.773 -5.166 2.385 1.00 0.00 C ATOM 1597 O ILE A 608 6.228 -5.828 3.271 1.00 0.00 O ATOM 1598 CB ILE A 608 5.598 -4.189 0.259 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.187 -3.577 0.110 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.655 -5.658 -0.177 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.544 -3.745 -1.271 1.00 0.00 C ATOM 0 H ILE A 608 6.945 -2.301 0.907 1.00 0.00 H new ATOM 0 HA ILE A 608 5.139 -3.904 2.326 1.00 0.00 H new ATOM 0 HB ILE A 608 6.291 -3.681 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.532 -4.029 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.244 -2.513 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.329 -5.743 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.678 -6.025 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.999 -6.252 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 608 2.557 -3.282 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 608 4.170 -3.267 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.447 -4.806 -1.500 1.00 0.00 H new ATOM 1613 N GLY A 609 7.999 -5.445 1.970 1.00 0.00 N ATOM 1614 CA GLY A 609 8.792 -6.502 2.566 1.00 0.00 C ATOM 1615 C GLY A 609 9.535 -5.881 3.731 1.00 0.00 C ATOM 1616 O GLY A 609 10.661 -5.454 3.542 1.00 0.00 O ATOM 0 H GLY A 609 8.468 -4.946 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.156 -7.320 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.489 -6.920 1.840 1.00 0.00 H new ATOM 1620 N TYR A 610 8.883 -5.750 4.883 1.00 0.00 N ATOM 1621 CA TYR A 610 9.389 -5.239 6.163 1.00 0.00 C ATOM 1622 C TYR A 610 8.953 -6.132 7.324 1.00 0.00 C ATOM 1623 O TYR A 610 9.749 -6.381 8.220 1.00 0.00 O ATOM 1624 CB TYR A 610 8.867 -3.809 6.369 1.00 0.00 C ATOM 1625 CG TYR A 610 9.170 -3.118 7.689 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.493 -2.787 8.025 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.122 -2.722 8.545 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.765 -2.085 9.213 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.388 -2.052 9.753 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.719 -1.734 10.097 1.00 0.00 C ATOM 1631 OH TYR A 610 10.004 -1.050 11.237 1.00 0.00 O ATOM 0 H TYR A 610 7.902 -6.021 4.956 1.00 0.00 H new ATOM 0 HA TYR A 610 10.479 -5.237 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.270 -3.189 5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.784 -3.828 6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.303 -3.072 7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.100 -2.936 8.269 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.782 -1.812 9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.577 -1.782 10.414 1.00 0.00 H new ATOM 0 HH TYR A 610 9.176 -0.885 11.735 1.00 0.00 H new ATOM 1641 N VAL A 611 7.717 -6.641 7.299 1.00 0.00 N ATOM 1642 CA VAL A 611 7.087 -7.304 8.444 1.00 0.00 C ATOM 1643 C VAL A 611 6.563 -8.678 8.060 1.00 0.00 C ATOM 1644 O VAL A 611 7.107 -9.682 8.506 1.00 0.00 O ATOM 1645 CB VAL A 611 6.040 -6.429 9.163 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.703 -5.538 10.221 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.262 -5.557 8.182 1.00 0.00 C ATOM 0 H VAL A 611 7.119 -6.603 6.473 1.00 0.00 H new ATOM 0 HA VAL A 611 7.867 -7.456 9.190 1.00 0.00 H new ATOM 0 HB VAL A 611 5.341 -7.109 9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 611 5.943 -4.931 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 611 7.204 -6.163 10.961 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.434 -4.886 9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 611 4.535 -4.956 8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 611 5.952 -4.900 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 611 4.743 -6.192 7.464 1.00 0.00 H new ATOM 1657 N THR A 612 5.564 -8.735 7.176 1.00 0.00 N ATOM 1658 CA THR A 612 4.974 -9.955 6.630 1.00 0.00 C ATOM 1659 C THR A 612 6.072 -10.967 6.274 1.00 0.00 C ATOM 1660 O THR A 612 6.121 -12.081 6.793 1.00 0.00 O ATOM 1661 CB THR A 612 4.049 -9.598 5.440 1.00 0.00 C ATOM 1662 OG1 THR A 612 3.890 -10.717 4.601 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.533 -8.439 4.558 1.00 0.00 C ATOM 0 H THR A 612 5.126 -7.892 6.806 1.00 0.00 H new ATOM 0 HA THR A 612 4.350 -10.441 7.380 1.00 0.00 H new ATOM 0 HB THR A 612 3.117 -9.283 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.376 -11.407 5.070 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.816 -8.269 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 612 4.623 -7.536 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.504 -8.688 4.131 1.00 0.00 H new ATOM 1671 N HIS A 613 6.985 -10.546 5.400 1.00 0.00 N ATOM 1672 CA HIS A 613 8.083 -11.337 4.855 1.00 0.00 C ATOM 1673 C HIS A 613 9.366 -11.207 5.695 1.00 0.00 C ATOM 1674 O HIS A 613 10.458 -11.490 5.196 1.00 0.00 O ATOM 1675 CB HIS A 613 8.320 -10.859 3.422 1.00 0.00 C ATOM 1676 CG HIS A 613 7.286 -11.243 2.400 1.00 0.00 C ATOM 1677 ND1 HIS A 613 5.918 -11.385 2.587 1.00 0.00 N ATOM 1678 CD2 HIS A 613 7.575 -11.492 1.085 1.00 0.00 C ATOM 1679 CE1 HIS A 613 5.401 -11.713 1.395 1.00 0.00 C ATOM 1680 NE2 HIS A 613 6.382 -11.818 0.476 1.00 0.00 N ATOM 0 H HIS A 613 6.977 -9.594 5.035 1.00 0.00 H new ATOM 0 HA HIS A 613 7.817 -12.394 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.398 -9.772 3.435 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.285 -11.244 3.091 1.00 0.00 H new ATOM 0 HD1 HIS A 613 5.406 -11.263 3.461 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.547 -11.443 0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 613 4.351 -11.870 1.199 1.00 0.00 H new ATOM 0 HE2 HIS A 613 6.262 -12.091 -0.499 1.00 0.00 H new ATOM 1689 N GLY A 614 9.265 -10.711 6.929 1.00 0.00 N ATOM 1690 CA GLY A 614 10.335 -10.791 7.905 1.00 0.00 C ATOM 1691 C GLY A 614 11.650 -10.149 7.478 1.00 0.00 C ATOM 1692 O GLY A 614 12.709 -10.723 7.744 1.00 0.00 O ATOM 0 H GLY A 614 8.429 -10.240 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.000 -10.317 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.519 -11.841 8.134 1.00 0.00 H new ATOM 1696 N PHE A 615 11.589 -9.007 6.785 1.00 0.00 N ATOM 1697 CA PHE A 615 12.761 -8.160 6.573 1.00 0.00 C ATOM 1698 C PHE A 615 12.946 -7.294 7.823 1.00 0.00 C ATOM 1699 O PHE A 615 12.387 -7.565 8.884 1.00 0.00 O ATOM 1700 CB PHE A 615 12.595 -7.346 5.262 1.00 0.00 C ATOM 1701 CG PHE A 615 13.123 -7.958 3.966 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.544 -9.301 3.875 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.100 -7.188 2.786 1.00 0.00 C ATOM 1704 CE1 PHE A 615 14.000 -9.827 2.653 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.550 -7.706 1.566 1.00 0.00 C ATOM 1706 CZ PHE A 615 14.018 -9.022 1.498 1.00 0.00 C ATOM 0 H PHE A 615 10.734 -8.649 6.360 1.00 0.00 H new ATOM 0 HA PHE A 615 13.669 -8.748 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.533 -7.144 5.127 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.088 -6.384 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.516 -9.931 4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.727 -6.175 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 615 14.337 -10.852 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.536 -7.090 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 615 14.391 -9.418 0.565 1.00 0.00 H new ATOM 1716 N ASN A 616 13.766 -6.259 7.706 1.00 0.00 N ATOM 1717 CA ASN A 616 13.975 -5.194 8.678 1.00 0.00 C ATOM 1718 C ASN A 616 13.919 -3.891 7.902 1.00 0.00 C ATOM 1719 O ASN A 616 13.811 -3.947 6.677 1.00 0.00 O ATOM 1720 CB ASN A 616 15.349 -5.350 9.315 1.00 0.00 C ATOM 1721 CG ASN A 616 15.537 -6.712 9.949 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.117 -6.915 11.085 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.126 -7.643 9.210 1.00 0.00 N ATOM 0 H ASN A 616 14.342 -6.132 6.874 1.00 0.00 H new ATOM 0 HA ASN A 616 13.224 -5.220 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.118 -5.195 8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 616 15.486 -4.577 10.072 1.00 0.00 H new ATOM 0 HD21 ASN A 616 16.249 -8.585 9.580 1.00 0.00 H new ATOM 0 HD22 ASN A 616 16.455 -7.416 8.272 1.00 0.00 H new ATOM 1730 N LEU A 617 14.021 -2.726 8.561 1.00 0.00 N ATOM 1731 CA LEU A 617 13.929 -1.451 7.846 1.00 0.00 C ATOM 1732 C LEU A 617 14.951 -1.458 6.719 1.00 0.00 C ATOM 1733 O LEU A 617 14.581 -1.181 5.583 1.00 0.00 O ATOM 1734 CB LEU A 617 14.091 -0.199 8.752 1.00 0.00 C ATOM 1735 CG LEU A 617 13.507 1.102 8.126 1.00 0.00 C ATOM 1736 CD1 LEU A 617 14.161 1.418 6.814 1.00 0.00 C ATOM 1737 CD2 LEU A 617 11.973 1.106 8.104 1.00 0.00 C ATOM 0 H LEU A 617 14.164 -2.644 9.568 1.00 0.00 H new ATOM 0 HA LEU A 617 12.918 -1.367 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.599 -0.385 9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.150 -0.048 8.963 1.00 0.00 H new ATOM 0 HG LEU A 617 13.760 1.937 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 617 13.731 2.332 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 617 15.231 1.557 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 617 13.997 0.595 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 617 11.618 2.035 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 617 11.615 0.261 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 617 11.594 1.025 9.123 1.00 0.00 H new ATOM 1749 N GLU A 618 16.209 -1.783 7.026 1.00 0.00 N ATOM 1750 CA GLU A 618 17.302 -1.519 6.098 1.00 0.00 C ATOM 1751 C GLU A 618 17.036 -2.264 4.802 1.00 0.00 C ATOM 1752 O GLU A 618 16.943 -1.660 3.737 1.00 0.00 O ATOM 1753 CB GLU A 618 18.653 -1.989 6.645 1.00 0.00 C ATOM 1754 CG GLU A 618 18.955 -1.238 7.933 1.00 0.00 C ATOM 1755 CD GLU A 618 20.429 -0.903 8.187 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.304 -1.195 7.337 1.00 0.00 O ATOM 1757 OE2 GLU A 618 20.688 -0.204 9.192 1.00 0.00 O ATOM 0 H GLU A 618 16.491 -2.225 7.901 1.00 0.00 H new ATOM 0 HA GLU A 618 17.349 -0.441 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.630 -3.063 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.439 -1.810 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 618 18.387 -0.308 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 618 18.589 -1.832 8.771 1.00 0.00 H new ATOM 1764 N GLU A 619 16.883 -3.582 4.937 1.00 0.00 N ATOM 1765 CA GLU A 619 16.581 -4.496 3.844 1.00 0.00 C ATOM 1766 C GLU A 619 15.345 -4.033 3.086 1.00 0.00 C ATOM 1767 O GLU A 619 15.332 -4.026 1.858 1.00 0.00 O ATOM 1768 CB GLU A 619 16.290 -5.906 4.362 1.00 0.00 C ATOM 1769 CG GLU A 619 17.407 -6.524 5.199 1.00 0.00 C ATOM 1770 CD GLU A 619 17.058 -7.991 5.418 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.384 -8.809 4.528 1.00 0.00 O ATOM 1772 OE2 GLU A 619 16.341 -8.299 6.400 1.00 0.00 O ATOM 0 H GLU A 619 16.969 -4.053 5.838 1.00 0.00 H new ATOM 0 HA GLU A 619 17.456 -4.507 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.380 -5.877 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.091 -6.557 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.365 -6.430 4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.502 -6.006 6.153 1.00 0.00 H new ATOM 1779 N ALA A 620 14.297 -3.663 3.822 1.00 0.00 N ATOM 1780 CA ALA A 620 13.029 -3.279 3.257 1.00 0.00 C ATOM 1781 C ALA A 620 13.191 -2.070 2.346 1.00 0.00 C ATOM 1782 O ALA A 620 12.737 -2.130 1.205 1.00 0.00 O ATOM 1783 CB ALA A 620 12.009 -3.056 4.377 1.00 0.00 C ATOM 0 H ALA A 620 14.318 -3.625 4.841 1.00 0.00 H new ATOM 0 HA ALA A 620 12.646 -4.083 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.051 -2.766 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.886 -3.978 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.363 -2.266 5.039 1.00 0.00 H new ATOM 1789 N ALA A 621 13.849 -1.015 2.824 1.00 0.00 N ATOM 1790 CA ALA A 621 14.139 0.194 2.072 1.00 0.00 C ATOM 1791 C ALA A 621 15.087 -0.101 0.904 1.00 0.00 C ATOM 1792 O ALA A 621 14.833 0.331 -0.221 1.00 0.00 O ATOM 1793 CB ALA A 621 14.779 1.216 3.024 1.00 0.00 C ATOM 0 H ALA A 621 14.205 -0.982 3.779 1.00 0.00 H new ATOM 0 HA ALA A 621 13.213 0.592 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.004 2.131 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.087 1.439 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.700 0.803 3.435 1.00 0.00 H new ATOM 1799 N ARG A 622 16.174 -0.843 1.147 1.00 0.00 N ATOM 1800 CA ARG A 622 17.167 -1.194 0.129 1.00 0.00 C ATOM 1801 C ARG A 622 16.466 -1.927 -1.015 1.00 0.00 C ATOM 1802 O ARG A 622 16.638 -1.547 -2.174 1.00 0.00 O ATOM 1803 CB ARG A 622 18.323 -1.998 0.759 1.00 0.00 C ATOM 1804 CG ARG A 622 19.293 -1.038 1.462 1.00 0.00 C ATOM 1805 CD ARG A 622 19.972 -1.646 2.687 1.00 0.00 C ATOM 1806 NE ARG A 622 21.129 -2.509 2.391 1.00 0.00 N ATOM 1807 CZ ARG A 622 21.721 -3.331 3.274 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.382 -3.346 4.560 1.00 0.00 N ATOM 1809 NH2 ARG A 622 22.665 -4.164 2.860 1.00 0.00 N ATOM 0 H ARG A 622 16.390 -1.221 2.069 1.00 0.00 H new ATOM 0 HA ARG A 622 17.623 -0.297 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.930 -2.721 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.848 -2.563 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.058 -0.722 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.750 -0.143 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 622 20.298 -0.838 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.236 -2.228 3.241 1.00 0.00 H new ATOM 0 HE ARG A 622 21.509 -2.480 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.652 -2.721 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 622 21.852 -3.983 5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 622 22.938 -4.178 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 622 23.119 -4.791 3.524 1.00 0.00 H new ATOM 1823 N CYS A 623 15.638 -2.927 -0.701 1.00 0.00 N ATOM 1824 CA CYS A 623 14.870 -3.671 -1.685 1.00 0.00 C ATOM 1825 C CYS A 623 13.859 -2.768 -2.389 1.00 0.00 C ATOM 1826 O CYS A 623 13.635 -2.933 -3.585 1.00 0.00 O ATOM 1827 CB CYS A 623 14.126 -4.840 -1.025 1.00 0.00 C ATOM 1828 SG CYS A 623 13.713 -6.062 -2.311 1.00 0.00 S ATOM 0 H CYS A 623 15.485 -3.241 0.257 1.00 0.00 H new ATOM 0 HA CYS A 623 15.574 -4.060 -2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.746 -5.297 -0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 623 13.219 -4.484 -0.536 1.00 0.00 H new ATOM 0 HG CYS A 623 13.277 -7.151 -1.751 1.00 0.00 H new ATOM 1834 N MET A 624 13.220 -1.839 -1.674 1.00 0.00 N ATOM 1835 CA MET A 624 12.235 -0.929 -2.258 1.00 0.00 C ATOM 1836 C MET A 624 12.843 -0.094 -3.390 1.00 0.00 C ATOM 1837 O MET A 624 12.190 0.064 -4.415 1.00 0.00 O ATOM 1838 CB MET A 624 11.590 -0.057 -1.173 1.00 0.00 C ATOM 1839 CG MET A 624 10.545 -0.851 -0.371 1.00 0.00 C ATOM 1840 SD MET A 624 8.876 -0.886 -1.063 1.00 0.00 S ATOM 1841 CE MET A 624 8.392 0.824 -0.711 1.00 0.00 C ATOM 0 H MET A 624 13.371 -1.697 -0.675 1.00 0.00 H new ATOM 0 HA MET A 624 11.443 -1.528 -2.707 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.360 0.319 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.117 0.811 -1.633 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.897 -1.878 -0.270 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.492 -0.432 0.634 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.314 0.930 -0.836 1.00 0.00 H new ATOM 0 HE2 MET A 624 8.665 1.076 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.905 1.496 -1.399 1.00 0.00 H new ATOM 1851 N ARG A 625 14.107 0.341 -3.295 1.00 0.00 N ATOM 1852 CA ARG A 625 14.806 1.017 -4.404 1.00 0.00 C ATOM 1853 C ARG A 625 14.849 0.199 -5.700 1.00 0.00 C ATOM 1854 O ARG A 625 15.128 0.760 -6.768 1.00 0.00 O ATOM 1855 CB ARG A 625 16.249 1.332 -4.035 1.00 0.00 C ATOM 1856 CG ARG A 625 16.381 2.213 -2.796 1.00 0.00 C ATOM 1857 CD ARG A 625 17.851 2.329 -2.421 1.00 0.00 C ATOM 1858 NE ARG A 625 18.546 3.398 -3.155 1.00 0.00 N ATOM 1859 CZ ARG A 625 19.190 3.296 -4.324 1.00 0.00 C ATOM 1860 NH1 ARG A 625 19.305 2.152 -4.996 1.00 0.00 N ATOM 1861 NH2 ARG A 625 19.723 4.383 -4.848 1.00 0.00 N ATOM 0 H ARG A 625 14.674 0.237 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 625 14.226 1.924 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.785 0.398 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 625 16.731 1.828 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.964 3.201 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.815 1.785 -1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.934 2.517 -1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.347 1.378 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 625 18.536 4.322 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 625 18.891 1.298 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 625 19.807 2.130 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 625 19.640 5.277 -4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 625 20.219 4.330 -5.738 1.00 0.00 H new ATOM 1875 N SER A 626 14.657 -1.118 -5.628 1.00 0.00 N ATOM 1876 CA SER A 626 14.604 -2.009 -6.778 1.00 0.00 C ATOM 1877 C SER A 626 13.308 -1.790 -7.580 1.00 0.00 C ATOM 1878 O SER A 626 13.231 -2.219 -8.727 1.00 0.00 O ATOM 1879 CB SER A 626 14.767 -3.452 -6.263 1.00 0.00 C ATOM 1880 OG SER A 626 15.517 -4.299 -7.112 1.00 0.00 O ATOM 0 H SER A 626 14.531 -1.605 -4.740 1.00 0.00 H new ATOM 0 HA SER A 626 15.414 -1.798 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.247 -3.423 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 626 13.778 -3.887 -6.120 1.00 0.00 H new ATOM 0 HG SER A 626 15.575 -5.193 -6.714 1.00 0.00 H new ATOM 1886 N LEU A 627 12.296 -1.113 -7.022 1.00 0.00 N ATOM 1887 CA LEU A 627 11.076 -0.735 -7.720 1.00 0.00 C ATOM 1888 C LEU A 627 11.356 0.421 -8.678 1.00 0.00 C ATOM 1889 O LEU A 627 12.033 1.398 -8.347 1.00 0.00 O ATOM 1890 CB LEU A 627 10.003 -0.351 -6.687 1.00 0.00 C ATOM 1891 CG LEU A 627 8.616 -0.080 -7.295 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.924 -1.364 -7.765 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.724 0.608 -6.264 1.00 0.00 C ATOM 0 H LEU A 627 12.310 -0.809 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 627 10.711 -1.576 -8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 627 9.916 -1.153 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.333 0.538 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 627 8.769 0.561 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.949 -1.119 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.536 -1.850 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.794 -2.038 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.743 0.797 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.615 -0.035 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.177 1.553 -5.964 1.00 0.00 H new ATOM 1905 N LYS A 628 10.798 0.322 -9.880 1.00 0.00 N ATOM 1906 CA LYS A 628 11.073 1.198 -11.014 1.00 0.00 C ATOM 1907 C LYS A 628 9.810 1.956 -11.433 1.00 0.00 C ATOM 1908 O LYS A 628 9.791 2.535 -12.515 1.00 0.00 O ATOM 1909 CB LYS A 628 11.679 0.355 -12.159 1.00 0.00 C ATOM 1910 CG LYS A 628 12.785 -0.659 -11.775 1.00 0.00 C ATOM 1911 CD LYS A 628 14.204 -0.079 -11.655 1.00 0.00 C ATOM 1912 CE LYS A 628 14.373 0.915 -10.498 1.00 0.00 C ATOM 1913 NZ LYS A 628 15.219 2.075 -10.850 1.00 0.00 N ATOM 0 H LYS A 628 10.113 -0.401 -10.100 1.00 0.00 H new ATOM 0 HA LYS A 628 11.801 1.960 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.870 -0.193 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 628 12.089 1.038 -12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.518 -1.118 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.799 -1.454 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.911 -0.898 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 628 14.463 0.419 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.391 1.270 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 628 14.812 0.399 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 15.296 2.710 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 16.167 1.744 -11.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 14.790 2.588 -11.646 1.00 0.00 H new ATOM 1927 N ALA A 629 8.768 1.938 -10.597 1.00 0.00 N ATOM 1928 CA ALA A 629 7.475 2.589 -10.781 1.00 0.00 C ATOM 1929 C ALA A 629 7.277 3.630 -9.666 1.00 0.00 C ATOM 1930 O ALA A 629 7.998 3.570 -8.660 1.00 0.00 O ATOM 1931 CB ALA A 629 6.389 1.505 -10.748 1.00 0.00 C ATOM 0 H ALA A 629 8.813 1.432 -9.713 1.00 0.00 H new ATOM 0 HA ALA A 629 7.421 3.110 -11.737 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.411 1.966 -10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.566 0.788 -11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.418 0.990 -9.788 1.00 0.00 H new ATOM 1937 N PRO A 630 6.340 4.589 -9.802 1.00 0.00 N ATOM 1938 CA PRO A 630 6.121 5.631 -8.806 1.00 0.00 C ATOM 1939 C PRO A 630 5.580 5.036 -7.519 1.00 0.00 C ATOM 1940 O PRO A 630 4.673 4.205 -7.540 1.00 0.00 O ATOM 1941 CB PRO A 630 5.124 6.634 -9.387 1.00 0.00 C ATOM 1942 CG PRO A 630 4.990 6.215 -10.844 1.00 0.00 C ATOM 1943 CD PRO A 630 5.398 4.749 -10.894 1.00 0.00 C ATOM 0 HA PRO A 630 7.063 6.126 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.166 6.591 -8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 630 5.489 7.657 -9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 630 3.967 6.348 -11.197 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.630 6.821 -11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 630 4.535 4.094 -10.772 1.00 0.00 H new ATOM 0 HD3 PRO A 630 5.855 4.498 -11.851 1.00 0.00 H new ATOM 1951 N ALA A 631 6.091 5.504 -6.388 1.00 0.00 N ATOM 1952 CA ALA A 631 5.743 4.971 -5.088 1.00 0.00 C ATOM 1953 C ALA A 631 5.895 6.061 -4.042 1.00 0.00 C ATOM 1954 O ALA A 631 7.015 6.464 -3.718 1.00 0.00 O ATOM 1955 CB ALA A 631 6.645 3.776 -4.785 1.00 0.00 C ATOM 0 H ALA A 631 6.763 6.270 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 631 4.707 4.633 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 631 6.391 3.367 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.502 3.010 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.687 4.097 -4.784 1.00 0.00 H new ATOM 1961 N VAL A 632 4.769 6.528 -3.510 1.00 0.00 N ATOM 1962 CA VAL A 632 4.762 7.092 -2.165 1.00 0.00 C ATOM 1963 C VAL A 632 5.043 5.934 -1.204 1.00 0.00 C ATOM 1964 O VAL A 632 4.536 4.825 -1.418 1.00 0.00 O ATOM 1965 CB VAL A 632 3.411 7.780 -1.885 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.229 8.222 -0.426 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.279 9.034 -2.756 1.00 0.00 C ATOM 0 H VAL A 632 3.864 6.528 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 632 5.523 7.863 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 632 2.651 7.033 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.255 8.697 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.289 7.352 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 632 4.013 8.931 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.323 9.517 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.090 9.724 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.330 8.753 -3.808 1.00 0.00 H new ATOM 1977 N VAL A 633 5.827 6.193 -0.161 1.00 0.00 N ATOM 1978 CA VAL A 633 6.118 5.257 0.921 1.00 0.00 C ATOM 1979 C VAL A 633 5.624 5.900 2.213 1.00 0.00 C ATOM 1980 O VAL A 633 5.594 7.124 2.324 1.00 0.00 O ATOM 1981 CB VAL A 633 7.628 4.934 0.977 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.935 3.815 1.985 1.00 0.00 C ATOM 1983 CG2 VAL A 633 8.193 4.502 -0.379 1.00 0.00 C ATOM 0 H VAL A 633 6.294 7.092 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 633 5.612 4.305 0.762 1.00 0.00 H new ATOM 0 HB VAL A 633 8.103 5.865 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 633 9.007 3.618 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.614 4.123 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.402 2.909 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.257 4.288 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.674 3.607 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 633 8.051 5.303 -1.104 1.00 0.00 H new ATOM 1993 N SER A 634 5.282 5.090 3.204 1.00 0.00 N ATOM 1994 CA SER A 634 4.866 5.554 4.513 1.00 0.00 C ATOM 1995 C SER A 634 5.327 4.556 5.572 1.00 0.00 C ATOM 1996 O SER A 634 5.641 3.404 5.259 1.00 0.00 O ATOM 1997 CB SER A 634 3.347 5.721 4.478 1.00 0.00 C ATOM 1998 OG SER A 634 2.849 6.343 5.647 1.00 0.00 O ATOM 0 H SER A 634 5.287 4.074 3.116 1.00 0.00 H new ATOM 0 HA SER A 634 5.315 6.513 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 634 3.069 6.314 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.879 4.744 4.361 1.00 0.00 H new ATOM 0 HG SER A 634 2.011 5.912 5.915 1.00 0.00 H new ATOM 2004 N VAL A 635 5.342 4.997 6.825 1.00 0.00 N ATOM 2005 CA VAL A 635 5.789 4.253 7.996 1.00 0.00 C ATOM 2006 C VAL A 635 4.853 4.572 9.165 1.00 0.00 C ATOM 2007 O VAL A 635 4.017 5.475 9.066 1.00 0.00 O ATOM 2008 CB VAL A 635 7.255 4.622 8.326 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.237 3.871 7.422 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.522 6.130 8.222 1.00 0.00 C ATOM 0 H VAL A 635 5.024 5.936 7.064 1.00 0.00 H new ATOM 0 HA VAL A 635 5.756 3.181 7.802 1.00 0.00 H new ATOM 0 HB VAL A 635 7.412 4.321 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.258 4.153 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.111 2.797 7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.042 4.127 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.565 6.332 8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.313 6.467 7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 635 6.878 6.663 8.921 1.00 0.00 H new ATOM 2020 N SER A 636 4.974 3.847 10.279 1.00 0.00 N ATOM 2021 CA SER A 636 4.253 4.201 11.492 1.00 0.00 C ATOM 2022 C SER A 636 4.781 5.516 12.080 1.00 0.00 C ATOM 2023 O SER A 636 3.966 6.319 12.541 1.00 0.00 O ATOM 2024 CB SER A 636 4.277 3.068 12.531 1.00 0.00 C ATOM 2025 OG SER A 636 5.433 2.255 12.467 1.00 0.00 O ATOM 0 H SER A 636 5.562 3.017 10.361 1.00 0.00 H new ATOM 0 HA SER A 636 3.209 4.351 11.217 1.00 0.00 H new ATOM 0 HB2 SER A 636 4.205 3.502 13.528 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.396 2.441 12.391 1.00 0.00 H new ATOM 0 HG SER A 636 5.382 1.559 13.155 1.00 0.00 H new ATOM 2031 N SER A 637 6.100 5.749 12.064 1.00 0.00 N ATOM 2032 CA SER A 637 6.729 6.791 12.874 1.00 0.00 C ATOM 2033 C SER A 637 7.363 7.889 12.010 1.00 0.00 C ATOM 2034 O SER A 637 7.964 7.597 10.976 1.00 0.00 O ATOM 2035 CB SER A 637 7.760 6.156 13.820 1.00 0.00 C ATOM 2036 OG SER A 637 8.578 5.181 13.180 1.00 0.00 O ATOM 0 H SER A 637 6.756 5.220 11.490 1.00 0.00 H new ATOM 0 HA SER A 637 5.955 7.277 13.468 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.395 6.939 14.234 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.239 5.692 14.657 1.00 0.00 H new ATOM 0 HG SER A 637 9.215 4.813 13.827 1.00 0.00 H new ATOM 2042 N PRO A 638 7.315 9.163 12.432 1.00 0.00 N ATOM 2043 CA PRO A 638 7.903 10.255 11.672 1.00 0.00 C ATOM 2044 C PRO A 638 9.435 10.217 11.731 1.00 0.00 C ATOM 2045 O PRO A 638 10.095 10.691 10.808 1.00 0.00 O ATOM 2046 CB PRO A 638 7.334 11.522 12.313 1.00 0.00 C ATOM 2047 CG PRO A 638 7.129 11.123 13.770 1.00 0.00 C ATOM 2048 CD PRO A 638 6.756 9.645 13.683 1.00 0.00 C ATOM 0 HA PRO A 638 7.662 10.198 10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.022 12.362 12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.397 11.823 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.033 11.275 14.359 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.340 11.710 14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.160 9.090 14.530 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.674 9.514 13.703 1.00 0.00 H new ATOM 2056 N ASP A 639 10.029 9.642 12.782 1.00 0.00 N ATOM 2057 CA ASP A 639 11.488 9.607 12.932 1.00 0.00 C ATOM 2058 C ASP A 639 12.140 8.540 12.047 1.00 0.00 C ATOM 2059 O ASP A 639 13.338 8.553 11.796 1.00 0.00 O ATOM 2060 CB ASP A 639 11.861 9.375 14.400 1.00 0.00 C ATOM 2061 CG ASP A 639 13.021 10.289 14.761 1.00 0.00 C ATOM 2062 OD1 ASP A 639 12.777 11.505 14.914 1.00 0.00 O ATOM 2063 OD2 ASP A 639 14.185 9.842 14.841 1.00 0.00 O ATOM 0 H ASP A 639 9.520 9.193 13.544 1.00 0.00 H new ATOM 0 HA ASP A 639 11.870 10.574 12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.005 9.579 15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 639 12.138 8.333 14.559 1.00 0.00 H new ATOM 2068 N ALA A 640 11.322 7.635 11.522 1.00 0.00 N ATOM 2069 CA ALA A 640 11.706 6.598 10.581 1.00 0.00 C ATOM 2070 C ALA A 640 11.802 7.180 9.178 1.00 0.00 C ATOM 2071 O ALA A 640 12.681 6.769 8.429 1.00 0.00 O ATOM 2072 CB ALA A 640 10.726 5.422 10.628 1.00 0.00 C ATOM 0 H ALA A 640 10.329 7.606 11.753 1.00 0.00 H new ATOM 0 HA ALA A 640 12.686 6.215 10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.037 4.660 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.716 4.996 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.726 5.772 10.373 1.00 0.00 H new ATOM 2078 N VAL A 641 10.999 8.198 8.845 1.00 0.00 N ATOM 2079 CA VAL A 641 11.107 8.915 7.573 1.00 0.00 C ATOM 2080 C VAL A 641 12.503 9.526 7.397 1.00 0.00 C ATOM 2081 O VAL A 641 12.922 9.745 6.259 1.00 0.00 O ATOM 2082 CB VAL A 641 9.979 9.959 7.450 1.00 0.00 C ATOM 2083 CG1 VAL A 641 10.022 10.767 6.143 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.612 9.277 7.542 1.00 0.00 C ATOM 0 H VAL A 641 10.257 8.546 9.452 1.00 0.00 H new ATOM 0 HA VAL A 641 10.980 8.205 6.756 1.00 0.00 H new ATOM 0 HB VAL A 641 10.134 10.653 8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.198 11.480 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.968 11.304 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.930 10.090 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.825 10.026 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.513 8.550 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.523 8.769 8.502 1.00 0.00 H new ATOM 2094 N THR A 642 13.232 9.741 8.491 1.00 0.00 N ATOM 2095 CA THR A 642 14.628 10.113 8.503 1.00 0.00 C ATOM 2096 C THR A 642 15.490 8.865 8.239 1.00 0.00 C ATOM 2097 O THR A 642 16.200 8.837 7.232 1.00 0.00 O ATOM 2098 CB THR A 642 14.900 10.789 9.856 1.00 0.00 C ATOM 2099 OG1 THR A 642 14.229 12.034 9.944 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.390 11.087 10.053 1.00 0.00 C ATOM 0 H THR A 642 12.840 9.654 9.429 1.00 0.00 H new ATOM 0 HA THR A 642 14.886 10.820 7.715 1.00 0.00 H new ATOM 0 HB THR A 642 14.546 10.092 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.415 12.445 10.814 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.541 11.565 11.021 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.955 10.156 10.016 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.736 11.753 9.262 1.00 0.00 H new ATOM 2108 N THR A 643 15.424 7.821 9.084 1.00 0.00 N ATOM 2109 CA THR A 643 16.287 6.637 8.965 1.00 0.00 C ATOM 2110 C THR A 643 16.241 6.067 7.548 1.00 0.00 C ATOM 2111 O THR A 643 17.266 5.794 6.914 1.00 0.00 O ATOM 2112 CB THR A 643 15.857 5.515 9.936 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.192 6.027 11.077 1.00 0.00 O ATOM 2114 CG2 THR A 643 17.055 4.709 10.431 1.00 0.00 C ATOM 0 H THR A 643 14.771 7.776 9.867 1.00 0.00 H new ATOM 0 HA THR A 643 17.296 6.968 9.210 1.00 0.00 H new ATOM 0 HB THR A 643 15.181 4.878 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.935 5.287 11.665 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.713 3.929 11.112 1.00 0.00 H new ATOM 0 HG22 THR A 643 17.562 4.252 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.747 5.369 10.954 1.00 0.00 H new ATOM 2122 N TYR A 644 15.012 5.891 7.078 1.00 0.00 N ATOM 2123 CA TYR A 644 14.639 5.237 5.855 1.00 0.00 C ATOM 2124 C TYR A 644 15.147 6.029 4.647 1.00 0.00 C ATOM 2125 O TYR A 644 15.722 5.441 3.732 1.00 0.00 O ATOM 2126 CB TYR A 644 13.119 5.112 5.919 1.00 0.00 C ATOM 2127 CG TYR A 644 12.478 4.319 4.818 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.264 4.859 3.539 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.082 3.014 5.115 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.732 4.051 2.522 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.581 2.185 4.100 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.425 2.698 2.790 1.00 0.00 C ATOM 2133 OH TYR A 644 10.980 1.894 1.787 1.00 0.00 O ATOM 0 H TYR A 644 14.198 6.232 7.589 1.00 0.00 H new ATOM 0 HA TYR A 644 15.087 4.250 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.851 4.656 6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.691 6.115 5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.508 5.892 3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.161 2.642 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.558 4.462 1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.316 1.161 4.317 1.00 0.00 H new ATOM 0 HH TYR A 644 11.577 1.974 1.014 1.00 0.00 H new ATOM 2143 N ASN A 645 15.014 7.363 4.676 1.00 0.00 N ATOM 2144 CA ASN A 645 15.560 8.265 3.656 1.00 0.00 C ATOM 2145 C ASN A 645 17.055 8.035 3.519 1.00 0.00 C ATOM 2146 O ASN A 645 17.572 7.973 2.406 1.00 0.00 O ATOM 2147 CB ASN A 645 15.324 9.750 4.002 1.00 0.00 C ATOM 2148 CG ASN A 645 14.431 10.433 2.984 1.00 0.00 C ATOM 2149 OD1 ASN A 645 14.888 10.796 1.904 1.00 0.00 O ATOM 2150 ND2 ASN A 645 13.155 10.624 3.286 1.00 0.00 N ATOM 0 H ASN A 645 14.516 7.851 5.421 1.00 0.00 H new ATOM 0 HA ASN A 645 15.043 8.044 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.871 9.825 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 645 16.282 10.268 4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 645 12.535 11.079 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.793 10.316 4.188 1.00 0.00 H new ATOM 2157 N GLY A 646 17.743 7.881 4.648 1.00 0.00 N ATOM 2158 CA GLY A 646 19.164 7.607 4.678 1.00 0.00 C ATOM 2159 C GLY A 646 19.490 6.345 3.886 1.00 0.00 C ATOM 2160 O GLY A 646 20.351 6.380 3.014 1.00 0.00 O ATOM 0 H GLY A 646 17.318 7.945 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.711 8.454 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 646 19.494 7.489 5.710 1.00 0.00 H new ATOM 2164 N TYR A 647 18.761 5.243 4.095 1.00 0.00 N ATOM 2165 CA TYR A 647 19.014 4.003 3.359 1.00 0.00 C ATOM 2166 C TYR A 647 18.756 4.190 1.861 1.00 0.00 C ATOM 2167 O TYR A 647 19.447 3.586 1.039 1.00 0.00 O ATOM 2168 CB TYR A 647 18.171 2.844 3.914 1.00 0.00 C ATOM 2169 CG TYR A 647 18.365 2.570 5.394 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.646 2.325 5.924 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.258 2.522 6.256 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.819 2.126 7.303 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.423 2.299 7.624 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.710 2.123 8.173 1.00 0.00 C ATOM 2175 OH TYR A 647 18.869 1.799 9.484 1.00 0.00 O ATOM 0 H TYR A 647 17.994 5.186 4.765 1.00 0.00 H new ATOM 0 HA TYR A 647 20.065 3.749 3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.118 3.060 3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.411 1.939 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.501 2.290 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.265 2.660 5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.811 1.974 7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.557 2.261 8.268 1.00 0.00 H new ATOM 0 HH TYR A 647 19.602 1.155 9.575 1.00 0.00 H new ATOM 2185 N LEU A 648 17.797 5.048 1.492 1.00 0.00 N ATOM 2186 CA LEU A 648 17.526 5.331 0.085 1.00 0.00 C ATOM 2187 C LEU A 648 18.664 6.143 -0.540 1.00 0.00 C ATOM 2188 O LEU A 648 18.912 5.998 -1.740 1.00 0.00 O ATOM 2189 CB LEU A 648 16.189 6.068 -0.122 1.00 0.00 C ATOM 2190 CG LEU A 648 14.894 5.353 0.325 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.726 5.818 -0.552 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.927 3.824 0.240 1.00 0.00 C ATOM 0 H LEU A 648 17.201 5.554 2.147 1.00 0.00 H new ATOM 0 HA LEU A 648 17.454 4.365 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.246 7.019 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.095 6.299 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 648 14.782 5.619 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.812 5.314 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.600 6.896 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 648 13.934 5.575 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 648 13.972 3.420 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.107 3.521 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.726 3.441 0.875 1.00 0.00 H new ATOM 2204 N THR A 649 19.319 7.001 0.244 1.00 0.00 N ATOM 2205 CA THR A 649 20.416 7.881 -0.162 1.00 0.00 C ATOM 2206 C THR A 649 21.738 7.103 -0.227 1.00 0.00 C ATOM 2207 O THR A 649 22.541 7.334 -1.127 1.00 0.00 O ATOM 2208 CB THR A 649 20.498 9.067 0.824 1.00 0.00 C ATOM 2209 OG1 THR A 649 19.201 9.583 1.066 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.338 10.227 0.285 1.00 0.00 C ATOM 0 H THR A 649 19.086 7.106 1.231 1.00 0.00 H new ATOM 0 HA THR A 649 20.227 8.270 -1.162 1.00 0.00 H new ATOM 0 HB THR A 649 20.962 8.676 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.775 9.073 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 649 21.361 11.032 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 649 22.354 9.882 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.898 10.594 -0.642 1.00 0.00 H new