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 180:sc= -0.311 (180deg=-0.311) USER MOD Set 1.2: A 644 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 536 MET CE :methyl 140:sc= -1.07 (180deg=-2.47) USER MOD Set 2.2: A 547 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 2.3: A 606 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot -142:sc= 0.286 USER MOD Single : A 530 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 532 ASN :FLIP amide:sc= -0.0719 F(o=-0.69,f=-0.072) USER MOD Single : A 539 HIS :FLIP no HD1:sc= -0.0635 F(o=-0.64,f=-0.063) USER MOD Single : A 543 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 545 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00453) USER MOD Single : A 550 CYS SG : rot 170:sc=-0.000823 USER MOD Single : A 551 MET CE :methyl -133:sc=-0.00714 (180deg=-1) USER MOD Single : A 557 MET CE :methyl 155:sc= -2.26 (180deg=-3.65!) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.1) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot -130:sc= -0.0473 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN : amide:sc= -2.65 K(o=-2.7,f=-6!) USER MOD Single : A 576 TYR OH : rot -30:sc= 0.365 USER MOD Single : A 583 TYR OH : rot -43:sc= -0.0267 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 160:sc= 0.524 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -170:sc= 0 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.19) USER MOD Single : A 597 ASN : amide:sc= -2.02! C(o=-2!,f=-3.6!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.582 K(o=0.58,f=-0.3) USER MOD Single : A 605 THR OG1 : rot -150:sc= 0.311 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot -123:sc= 0.0743 USER MOD Single : A 613 HIS : no HD1:sc= 0.0952 K(o=0.095,f=-2.9!) USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 623 CYS SG : rot -130:sc= 0 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 169:sc= -0.187 (180deg=-0.326) USER MOD Single : A 634 SER OG : rot 180:sc= 0 USER MOD Single : A 636 SER OG : rot 180:sc= 0 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 80:sc= 1.2 USER MOD Single : A 645 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.498 16.793 -6.399 1.00 0.00 N ATOM 215 CA GLU A 524 -0.013 15.464 -6.067 1.00 0.00 C ATOM 216 C GLU A 524 1.246 15.547 -5.208 1.00 0.00 C ATOM 217 O GLU A 524 1.959 16.552 -5.147 1.00 0.00 O ATOM 218 CB GLU A 524 0.153 14.571 -7.313 1.00 0.00 C ATOM 219 CG GLU A 524 1.225 15.060 -8.295 1.00 0.00 C ATOM 220 CD GLU A 524 1.541 14.021 -9.375 1.00 0.00 C ATOM 221 OE1 GLU A 524 2.343 13.090 -9.105 1.00 0.00 O ATOM 222 OE2 GLU A 524 1.067 14.178 -10.519 1.00 0.00 O ATOM 0 HA GLU A 524 -0.774 14.968 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.404 13.560 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.802 14.512 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 524 0.887 15.982 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 524 2.136 15.299 -7.746 1.00 0.00 H new ATOM 229 N ILE A 525 1.488 14.452 -4.500 1.00 0.00 N ATOM 230 CA ILE A 525 2.588 14.233 -3.595 1.00 0.00 C ATOM 231 C ILE A 525 3.277 12.976 -4.074 1.00 0.00 C ATOM 232 O ILE A 525 2.660 12.056 -4.623 1.00 0.00 O ATOM 233 CB ILE A 525 2.099 14.074 -2.141 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.898 14.986 -1.851 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.225 14.373 -1.139 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.420 14.259 -2.105 1.00 0.00 C ATOM 0 H ILE A 525 0.872 13.641 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 525 3.268 15.085 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 525 1.787 13.036 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 525 0.936 15.324 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.953 15.875 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.849 14.252 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 525 4.052 13.683 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.573 15.396 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -1.252 14.929 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.467 13.944 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -0.483 13.384 -1.458 1.00 0.00 H new ATOM 248 N LEU A 526 4.559 12.944 -3.785 1.00 0.00 N ATOM 249 CA LEU A 526 5.448 11.830 -4.016 1.00 0.00 C ATOM 250 C LEU A 526 6.434 11.774 -2.856 1.00 0.00 C ATOM 251 O LEU A 526 6.585 12.766 -2.136 1.00 0.00 O ATOM 252 CB LEU A 526 6.156 11.993 -5.359 1.00 0.00 C ATOM 253 CG LEU A 526 6.409 10.649 -6.062 1.00 0.00 C ATOM 254 CD1 LEU A 526 5.142 10.138 -6.760 1.00 0.00 C ATOM 255 CD2 LEU A 526 7.539 10.799 -7.080 1.00 0.00 C ATOM 0 H LEU A 526 5.034 13.740 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 526 4.896 10.891 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.555 12.630 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.107 12.503 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 526 6.695 9.920 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 526 5.354 9.186 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 526 4.351 10.000 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 526 4.820 10.864 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 526 7.713 9.843 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 526 7.262 11.547 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 526 8.449 11.114 -6.570 1.00 0.00 H new ATOM 267 N GLY A 527 7.153 10.665 -2.724 1.00 0.00 N ATOM 268 CA GLY A 527 8.178 10.514 -1.707 1.00 0.00 C ATOM 269 C GLY A 527 7.656 9.909 -0.408 1.00 0.00 C ATOM 270 O GLY A 527 6.542 9.383 -0.357 1.00 0.00 O ATOM 0 H GLY A 527 7.039 9.846 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 527 8.977 9.884 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.616 11.489 -1.495 1.00 0.00 H new ATOM 274 N THR A 528 8.494 9.918 0.628 1.00 0.00 N ATOM 275 CA THR A 528 8.199 9.307 1.914 1.00 0.00 C ATOM 276 C THR A 528 7.528 10.354 2.814 1.00 0.00 C ATOM 277 O THR A 528 7.995 11.491 2.910 1.00 0.00 O ATOM 278 CB THR A 528 9.489 8.718 2.513 1.00 0.00 C ATOM 279 OG1 THR A 528 10.161 7.922 1.552 1.00 0.00 O ATOM 280 CG2 THR A 528 9.200 7.823 3.727 1.00 0.00 C ATOM 0 H THR A 528 9.413 10.360 0.592 1.00 0.00 H new ATOM 0 HA THR A 528 7.502 8.476 1.809 1.00 0.00 H new ATOM 0 HB THR A 528 10.103 9.565 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.545 7.134 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.137 7.428 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.701 8.408 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.556 6.997 3.425 1.00 0.00 H new ATOM 288 N VAL A 529 6.432 9.984 3.467 1.00 0.00 N ATOM 289 CA VAL A 529 5.559 10.859 4.238 1.00 0.00 C ATOM 290 C VAL A 529 5.201 10.193 5.572 1.00 0.00 C ATOM 291 O VAL A 529 5.334 8.977 5.731 1.00 0.00 O ATOM 292 CB VAL A 529 4.312 11.210 3.393 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.665 12.177 2.259 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.622 9.987 2.766 1.00 0.00 C ATOM 0 H VAL A 529 6.113 9.015 3.473 1.00 0.00 H new ATOM 0 HA VAL A 529 6.068 11.793 4.476 1.00 0.00 H new ATOM 0 HB VAL A 529 3.621 11.669 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.768 12.405 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.070 13.098 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.408 11.718 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.757 10.313 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.322 9.471 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.297 9.308 3.555 1.00 0.00 H new ATOM 304 N SER A 530 4.714 10.968 6.541 1.00 0.00 N ATOM 305 CA SER A 530 4.401 10.493 7.887 1.00 0.00 C ATOM 306 C SER A 530 2.901 10.204 8.014 1.00 0.00 C ATOM 307 O SER A 530 2.303 10.350 9.082 1.00 0.00 O ATOM 308 CB SER A 530 4.940 11.514 8.902 1.00 0.00 C ATOM 309 OG SER A 530 4.576 12.845 8.556 1.00 0.00 O ATOM 0 H SER A 530 4.523 11.961 6.409 1.00 0.00 H new ATOM 0 HA SER A 530 4.892 9.543 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.555 11.278 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.026 11.436 8.954 1.00 0.00 H new ATOM 0 HG SER A 530 4.934 13.466 9.224 1.00 0.00 H new ATOM 315 N TRP A 531 2.262 9.799 6.916 1.00 0.00 N ATOM 316 CA TRP A 531 0.894 9.335 6.904 1.00 0.00 C ATOM 317 C TRP A 531 0.817 8.043 7.716 1.00 0.00 C ATOM 318 O TRP A 531 1.814 7.531 8.234 1.00 0.00 O ATOM 319 CB TRP A 531 0.418 9.140 5.456 1.00 0.00 C ATOM 320 CG TRP A 531 0.511 10.330 4.547 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.910 11.578 4.889 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.210 10.397 3.120 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.879 12.401 3.787 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.481 11.722 2.659 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.215 9.455 2.158 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.355 12.094 1.313 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.348 9.821 0.805 1.00 0.00 C ATOM 328 CH2 TRP A 531 -0.062 11.131 0.379 1.00 0.00 C ATOM 0 H TRP A 531 2.700 9.788 5.995 1.00 0.00 H new ATOM 0 HA TRP A 531 0.231 10.071 7.359 1.00 0.00 H new ATOM 0 HB2 TRP A 531 0.997 8.329 5.014 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.621 8.812 5.481 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.209 11.883 5.881 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.121 13.392 3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.440 8.444 2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.575 13.104 1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.674 9.086 0.084 1.00 0.00 H new ATOM 0 HH2 TRP A 531 -0.163 11.396 -0.663 1.00 0.00 H new ATOM 339 N ASN A 532 -0.387 7.505 7.821 1.00 0.00 N ATOM 340 CA ASN A 532 -0.730 6.346 8.624 1.00 0.00 C ATOM 341 C ASN A 532 -1.702 5.550 7.764 1.00 0.00 C ATOM 342 O ASN A 532 -2.211 6.094 6.784 1.00 0.00 O ATOM 343 CB ASN A 532 -1.406 6.753 9.951 1.00 0.00 C ATOM 344 CG ASN A 532 -0.834 7.998 10.638 1.00 0.00 C ATOM 345 OD1 ASN A 532 -0.995 9.174 10.048 1.00 0.00 O flip ATOM 346 ND2 ASN A 532 -0.283 7.918 11.732 1.00 0.00 N flip ATOM 0 H ASN A 532 -1.191 7.885 7.322 1.00 0.00 H new ATOM 0 HA ASN A 532 0.158 5.776 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.466 6.922 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.336 5.915 10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -0.164 7.008 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 532 0.056 8.761 12.195 1.00 0.00 H new ATOM 353 N LEU A 533 -2.015 4.306 8.130 1.00 0.00 N ATOM 354 CA LEU A 533 -2.895 3.409 7.369 1.00 0.00 C ATOM 355 C LEU A 533 -4.147 4.146 6.878 1.00 0.00 C ATOM 356 O LEU A 533 -4.490 4.066 5.707 1.00 0.00 O ATOM 357 CB LEU A 533 -3.242 2.194 8.256 1.00 0.00 C ATOM 358 CG LEU A 533 -3.680 0.900 7.533 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.049 -0.137 8.590 1.00 0.00 C ATOM 360 CD2 LEU A 533 -4.883 1.060 6.611 1.00 0.00 C ATOM 0 H LEU A 533 -1.656 3.881 8.985 1.00 0.00 H new ATOM 0 HA LEU A 533 -2.383 3.056 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -2.371 1.962 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -4.041 2.489 8.937 1.00 0.00 H new ATOM 0 HG LEU A 533 -2.838 0.604 6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -4.362 -1.060 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -3.183 -0.336 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -4.866 0.243 9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -5.117 0.101 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -5.741 1.403 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -4.652 1.790 5.836 1.00 0.00 H new ATOM 372 N ARG A 534 -4.823 4.909 7.734 1.00 0.00 N ATOM 373 CA ARG A 534 -6.031 5.624 7.330 1.00 0.00 C ATOM 374 C ARG A 534 -5.776 6.771 6.353 1.00 0.00 C ATOM 375 O ARG A 534 -6.419 6.798 5.310 1.00 0.00 O ATOM 376 CB ARG A 534 -6.732 6.158 8.576 1.00 0.00 C ATOM 377 CG ARG A 534 -7.143 5.016 9.516 1.00 0.00 C ATOM 378 CD ARG A 534 -8.568 5.241 9.989 1.00 0.00 C ATOM 379 NE ARG A 534 -8.658 6.239 11.061 1.00 0.00 N ATOM 380 CZ ARG A 534 -9.777 6.848 11.455 1.00 0.00 C ATOM 381 NH1 ARG A 534 -10.883 6.754 10.725 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.775 7.524 12.594 1.00 0.00 N ATOM 0 H ARG A 534 -4.556 5.048 8.709 1.00 0.00 H new ATOM 0 HA ARG A 534 -6.657 4.908 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.070 6.845 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.614 6.727 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.066 4.059 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -6.467 4.972 10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -9.180 5.563 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -8.983 4.297 10.342 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.795 6.487 11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -10.878 6.214 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -11.737 7.221 11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.925 7.573 13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -10.623 7.995 12.909 1.00 0.00 H new ATOM 396 N GLU A 535 -4.872 7.702 6.665 1.00 0.00 N ATOM 397 CA GLU A 535 -4.491 8.797 5.758 1.00 0.00 C ATOM 398 C GLU A 535 -4.124 8.250 4.377 1.00 0.00 C ATOM 399 O GLU A 535 -4.570 8.733 3.335 1.00 0.00 O ATOM 400 CB GLU A 535 -3.286 9.544 6.333 1.00 0.00 C ATOM 401 CG GLU A 535 -3.703 10.585 7.371 1.00 0.00 C ATOM 402 CD GLU A 535 -4.311 9.961 8.620 1.00 0.00 C ATOM 403 OE1 GLU A 535 -3.792 8.917 9.080 1.00 0.00 O ATOM 404 OE2 GLU A 535 -5.323 10.495 9.127 1.00 0.00 O ATOM 0 H GLU A 535 -4.379 7.721 7.558 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.340 9.474 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.601 8.830 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.743 10.034 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -2.834 11.179 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -4.424 11.269 6.924 1.00 0.00 H new ATOM 411 N MET A 536 -3.320 7.191 4.393 1.00 0.00 N ATOM 412 CA MET A 536 -2.915 6.441 3.229 1.00 0.00 C ATOM 413 C MET A 536 -4.130 5.977 2.439 1.00 0.00 C ATOM 414 O MET A 536 -4.199 6.255 1.236 1.00 0.00 O ATOM 415 CB MET A 536 -2.068 5.256 3.702 1.00 0.00 C ATOM 416 CG MET A 536 -0.677 5.696 4.162 1.00 0.00 C ATOM 417 SD MET A 536 0.446 5.949 2.784 1.00 0.00 S ATOM 418 CE MET A 536 0.692 4.212 2.380 1.00 0.00 C ATOM 0 H MET A 536 -2.922 6.824 5.257 1.00 0.00 H new ATOM 0 HA MET A 536 -2.325 7.068 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.578 4.750 4.522 1.00 0.00 H new ATOM 0 HB3 MET A 536 -1.971 4.533 2.892 1.00 0.00 H new ATOM 0 HG2 MET A 536 -0.761 6.620 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.263 4.943 4.832 1.00 0.00 H new ATOM 0 HE1 MET A 536 0.711 4.089 1.297 1.00 0.00 H new ATOM 0 HE2 MET A 536 1.638 3.871 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 536 -0.124 3.622 2.798 1.00 0.00 H new ATOM 428 N LEU A 537 -5.055 5.267 3.090 1.00 0.00 N ATOM 429 CA LEU A 537 -6.269 4.783 2.457 1.00 0.00 C ATOM 430 C LEU A 537 -7.011 5.932 1.808 1.00 0.00 C ATOM 431 O LEU A 537 -7.376 5.802 0.646 1.00 0.00 O ATOM 432 CB LEU A 537 -7.191 4.052 3.450 1.00 0.00 C ATOM 433 CG LEU A 537 -6.705 2.648 3.830 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.621 2.023 4.883 1.00 0.00 C ATOM 435 CD2 LEU A 537 -6.734 1.696 2.658 1.00 0.00 C ATOM 0 H LEU A 537 -4.976 5.014 4.075 1.00 0.00 H new ATOM 0 HA LEU A 537 -5.973 4.062 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.282 4.652 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.188 3.976 3.016 1.00 0.00 H new ATOM 0 HG LEU A 537 -5.687 2.783 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.257 1.028 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -7.626 2.647 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -8.634 1.949 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -6.381 0.715 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -7.754 1.610 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -6.088 2.074 1.866 1.00 0.00 H new ATOM 447 N ALA A 538 -7.207 7.048 2.512 1.00 0.00 N ATOM 448 CA ALA A 538 -7.961 8.170 1.987 1.00 0.00 C ATOM 449 C ALA A 538 -7.319 8.735 0.715 1.00 0.00 C ATOM 450 O ALA A 538 -8.033 8.957 -0.267 1.00 0.00 O ATOM 451 CB ALA A 538 -8.110 9.241 3.070 1.00 0.00 C ATOM 0 H ALA A 538 -6.847 7.192 3.455 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.954 7.822 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.677 10.083 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.636 8.821 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -7.123 9.583 3.382 1.00 0.00 H new ATOM 457 N HIS A 539 -5.997 8.959 0.696 1.00 0.00 N ATOM 458 CA HIS A 539 -5.327 9.415 -0.529 1.00 0.00 C ATOM 459 C HIS A 539 -5.523 8.389 -1.648 1.00 0.00 C ATOM 460 O HIS A 539 -5.907 8.758 -2.758 1.00 0.00 O ATOM 461 CB HIS A 539 -3.836 9.707 -0.293 1.00 0.00 C ATOM 462 CG HIS A 539 -3.144 10.265 -1.523 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.152 9.662 -2.260 1.00 0.00 N flip ATOM 464 CD2 HIS A 539 -3.397 11.503 -2.089 1.00 0.00 C flip ATOM 465 CE1 HIS A 539 -1.783 10.565 -3.246 1.00 0.00 C flip ATOM 466 NE2 HIS A 539 -2.556 11.662 -3.125 1.00 0.00 N flip ATOM 0 H HIS A 539 -5.381 8.835 1.499 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.786 10.356 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.735 10.416 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.335 8.789 0.015 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -4.139 12.215 -1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.009 10.415 -3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -2.510 12.485 -3.726 1.00 0.00 H new ATOM 475 N ALA A 540 -5.233 7.115 -1.370 1.00 0.00 N ATOM 476 CA ALA A 540 -5.368 6.023 -2.328 1.00 0.00 C ATOM 477 C ALA A 540 -6.781 5.968 -2.926 1.00 0.00 C ATOM 478 O ALA A 540 -6.904 5.855 -4.141 1.00 0.00 O ATOM 479 CB ALA A 540 -5.003 4.701 -1.649 1.00 0.00 C ATOM 0 H ALA A 540 -4.893 6.812 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.681 6.199 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.104 3.885 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -3.974 4.747 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -5.671 4.529 -0.805 1.00 0.00 H new ATOM 485 N GLU A 541 -7.840 6.059 -2.114 1.00 0.00 N ATOM 486 CA GLU A 541 -9.229 6.097 -2.527 1.00 0.00 C ATOM 487 C GLU A 541 -9.482 7.263 -3.484 1.00 0.00 C ATOM 488 O GLU A 541 -10.029 7.074 -4.571 1.00 0.00 O ATOM 489 CB GLU A 541 -10.120 6.234 -1.268 1.00 0.00 C ATOM 490 CG GLU A 541 -11.244 5.208 -1.252 1.00 0.00 C ATOM 491 CD GLU A 541 -12.503 5.632 -0.483 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.448 6.531 0.386 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.543 4.942 -0.598 1.00 0.00 O ATOM 0 H GLU A 541 -7.735 6.110 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.472 5.175 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.507 6.114 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.544 7.237 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -11.524 4.983 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -10.865 4.284 -0.816 1.00 0.00 H new ATOM 500 N GLU A 542 -9.080 8.466 -3.066 1.00 0.00 N ATOM 501 CA GLU A 542 -9.388 9.721 -3.738 1.00 0.00 C ATOM 502 C GLU A 542 -8.726 9.764 -5.107 1.00 0.00 C ATOM 503 O GLU A 542 -9.351 10.185 -6.079 1.00 0.00 O ATOM 504 CB GLU A 542 -8.914 10.878 -2.849 1.00 0.00 C ATOM 505 CG GLU A 542 -9.179 12.259 -3.468 1.00 0.00 C ATOM 506 CD GLU A 542 -9.118 13.382 -2.428 1.00 0.00 C ATOM 507 OE1 GLU A 542 -9.608 13.205 -1.294 1.00 0.00 O ATOM 508 OE2 GLU A 542 -8.492 14.436 -2.679 1.00 0.00 O ATOM 0 H GLU A 542 -8.515 8.592 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 542 -10.463 9.810 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -9.416 10.816 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -7.846 10.770 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -8.445 12.451 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -10.160 12.260 -3.944 1.00 0.00 H new ATOM 515 N THR A 543 -7.477 9.307 -5.194 1.00 0.00 N ATOM 516 CA THR A 543 -6.675 9.357 -6.414 1.00 0.00 C ATOM 517 C THR A 543 -6.730 8.056 -7.226 1.00 0.00 C ATOM 518 O THR A 543 -6.110 7.954 -8.286 1.00 0.00 O ATOM 519 CB THR A 543 -5.238 9.756 -6.053 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.641 8.880 -5.113 1.00 0.00 O ATOM 521 CG2 THR A 543 -5.180 11.161 -5.458 1.00 0.00 C ATOM 0 H THR A 543 -6.987 8.885 -4.405 1.00 0.00 H new ATOM 0 HA THR A 543 -7.103 10.113 -7.072 1.00 0.00 H new ATOM 0 HB THR A 543 -4.689 9.708 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.940 9.116 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 543 -4.147 11.410 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 543 -5.566 11.879 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 543 -5.786 11.198 -4.553 1.00 0.00 H new ATOM 529 N ARG A 544 -7.435 7.038 -6.717 1.00 0.00 N ATOM 530 CA ARG A 544 -7.420 5.653 -7.202 1.00 0.00 C ATOM 531 C ARG A 544 -5.997 5.104 -7.411 1.00 0.00 C ATOM 532 O ARG A 544 -5.808 4.174 -8.191 1.00 0.00 O ATOM 533 CB ARG A 544 -8.360 5.497 -8.411 1.00 0.00 C ATOM 534 CG ARG A 544 -9.830 5.689 -7.998 1.00 0.00 C ATOM 535 CD ARG A 544 -10.457 4.441 -7.341 1.00 0.00 C ATOM 536 NE ARG A 544 -11.396 3.747 -8.245 1.00 0.00 N ATOM 537 CZ ARG A 544 -12.046 2.603 -7.994 1.00 0.00 C ATOM 538 NH1 ARG A 544 -12.000 2.044 -6.792 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.749 2.000 -8.947 1.00 0.00 N ATOM 0 H ARG A 544 -8.059 7.163 -5.920 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.822 5.009 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -8.096 6.226 -9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -8.229 4.509 -8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.897 6.527 -7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -10.414 5.957 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.666 3.753 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -10.981 4.736 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.567 4.182 -9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -11.465 2.485 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -12.500 1.173 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -12.797 2.408 -9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.240 1.129 -8.745 1.00 0.00 H new ATOM 553 N LYS A 545 -4.991 5.648 -6.708 1.00 0.00 N ATOM 554 CA LYS A 545 -3.610 5.167 -6.777 1.00 0.00 C ATOM 555 C LYS A 545 -3.513 3.803 -6.109 1.00 0.00 C ATOM 556 O LYS A 545 -4.128 3.599 -5.057 1.00 0.00 O ATOM 557 CB LYS A 545 -2.623 6.203 -6.211 1.00 0.00 C ATOM 558 CG LYS A 545 -2.546 7.370 -7.211 1.00 0.00 C ATOM 559 CD LYS A 545 -1.608 8.516 -6.815 1.00 0.00 C ATOM 560 CE LYS A 545 -1.863 9.770 -7.675 1.00 0.00 C ATOM 561 NZ LYS A 545 -1.732 9.539 -9.129 1.00 0.00 N ATOM 0 H LYS A 545 -5.118 6.437 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.319 5.038 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.957 6.557 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.639 5.756 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -2.226 6.978 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -3.549 7.775 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.751 8.759 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -0.572 8.197 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -2.865 10.144 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -1.163 10.551 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -1.884 10.433 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 -0.779 9.179 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 -2.441 8.842 -9.435 1.00 0.00 H new ATOM 575 N LEU A 546 -2.811 2.864 -6.741 1.00 0.00 N ATOM 576 CA LEU A 546 -2.840 1.456 -6.352 1.00 0.00 C ATOM 577 C LEU A 546 -2.140 1.242 -5.007 1.00 0.00 C ATOM 578 O LEU A 546 -1.139 1.888 -4.682 1.00 0.00 O ATOM 579 CB LEU A 546 -2.243 0.601 -7.485 1.00 0.00 C ATOM 580 CG LEU A 546 -2.212 -0.935 -7.311 1.00 0.00 C ATOM 581 CD1 LEU A 546 -0.950 -1.446 -6.629 1.00 0.00 C ATOM 582 CD2 LEU A 546 -3.470 -1.605 -6.766 1.00 0.00 C ATOM 0 H LEU A 546 -2.205 3.059 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.871 1.136 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.801 0.820 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.219 0.937 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 546 -2.188 -1.263 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -0.998 -2.531 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -0.078 -1.168 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -0.869 -1.005 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -3.308 -2.681 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -3.695 -1.207 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -4.307 -1.407 -7.436 1.00 0.00 H new ATOM 594 N MET A 547 -2.631 0.245 -4.276 1.00 0.00 N ATOM 595 CA MET A 547 -2.146 -0.240 -2.991 1.00 0.00 C ATOM 596 C MET A 547 -1.741 -1.721 -3.134 1.00 0.00 C ATOM 597 O MET A 547 -2.608 -2.596 -3.074 1.00 0.00 O ATOM 598 CB MET A 547 -3.240 -0.058 -1.909 1.00 0.00 C ATOM 599 CG MET A 547 -2.752 0.783 -0.730 1.00 0.00 C ATOM 600 SD MET A 547 -3.774 0.672 0.764 1.00 0.00 S ATOM 601 CE MET A 547 -3.004 1.953 1.773 1.00 0.00 C ATOM 0 H MET A 547 -3.442 -0.285 -4.594 1.00 0.00 H new ATOM 0 HA MET A 547 -1.273 0.334 -2.680 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.114 0.417 -2.355 1.00 0.00 H new ATOM 0 HB3 MET A 547 -3.558 -1.036 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 547 -1.736 0.477 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.703 1.826 -1.042 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.210 1.760 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 547 -1.927 1.948 1.607 1.00 0.00 H new ATOM 0 HE3 MET A 547 -3.409 2.926 1.497 1.00 0.00 H new ATOM 611 N PRO A 548 -0.459 -2.071 -3.323 1.00 0.00 N ATOM 612 CA PRO A 548 -0.019 -3.453 -3.153 1.00 0.00 C ATOM 613 C PRO A 548 -0.122 -3.807 -1.661 1.00 0.00 C ATOM 614 O PRO A 548 0.327 -3.024 -0.820 1.00 0.00 O ATOM 615 CB PRO A 548 1.418 -3.461 -3.676 1.00 0.00 C ATOM 616 CG PRO A 548 1.921 -2.065 -3.326 1.00 0.00 C ATOM 617 CD PRO A 548 0.686 -1.189 -3.482 1.00 0.00 C ATOM 0 HA PRO A 548 -0.614 -4.194 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 548 2.017 -4.237 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 548 1.455 -3.646 -4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.316 -2.024 -2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.723 -1.749 -3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.674 -0.396 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.672 -0.706 -4.459 1.00 0.00 H new ATOM 625 N ILE A 549 -0.739 -4.929 -1.289 1.00 0.00 N ATOM 626 CA ILE A 549 -0.844 -5.343 0.112 1.00 0.00 C ATOM 627 C ILE A 549 -0.498 -6.829 0.177 1.00 0.00 C ATOM 628 O ILE A 549 -1.032 -7.637 -0.581 1.00 0.00 O ATOM 629 CB ILE A 549 -2.252 -5.042 0.668 1.00 0.00 C ATOM 630 CG1 ILE A 549 -2.598 -3.541 0.795 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.537 -5.733 2.012 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.113 -2.756 2.008 1.00 0.00 C ATOM 0 H ILE A 549 -1.178 -5.574 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.150 -4.783 0.738 1.00 0.00 H new ATOM 0 HB ILE A 549 -2.901 -5.463 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.211 -3.041 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.684 -3.453 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.543 -5.479 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.457 -6.813 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -1.813 -5.397 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.448 -1.722 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.520 -3.201 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.024 -2.783 2.047 1.00 0.00 H new ATOM 644 N CYS A 550 0.380 -7.186 1.115 1.00 0.00 N ATOM 645 CA CYS A 550 0.652 -8.578 1.434 1.00 0.00 C ATOM 646 C CYS A 550 -0.560 -9.113 2.190 1.00 0.00 C ATOM 647 O CYS A 550 -0.741 -8.809 3.375 1.00 0.00 O ATOM 648 CB CYS A 550 1.932 -8.715 2.265 1.00 0.00 C ATOM 649 SG CYS A 550 2.302 -10.475 2.522 1.00 0.00 S ATOM 0 H CYS A 550 0.917 -6.519 1.669 1.00 0.00 H new ATOM 0 HA CYS A 550 0.815 -9.154 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.763 -8.228 1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.810 -8.214 3.225 1.00 0.00 H new ATOM 0 HG CYS A 550 3.489 -10.598 3.037 1.00 0.00 H new ATOM 655 N MET A 551 -1.401 -9.893 1.516 1.00 0.00 N ATOM 656 CA MET A 551 -2.652 -10.408 2.071 1.00 0.00 C ATOM 657 C MET A 551 -2.438 -11.327 3.280 1.00 0.00 C ATOM 658 O MET A 551 -3.382 -11.616 4.015 1.00 0.00 O ATOM 659 CB MET A 551 -3.402 -11.152 0.961 1.00 0.00 C ATOM 660 CG MET A 551 -2.738 -12.490 0.597 1.00 0.00 C ATOM 661 SD MET A 551 -3.064 -13.068 -1.084 1.00 0.00 S ATOM 662 CE MET A 551 -4.853 -13.257 -0.951 1.00 0.00 C ATOM 0 H MET A 551 -1.231 -10.190 0.555 1.00 0.00 H new ATOM 0 HA MET A 551 -3.236 -9.562 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.428 -11.334 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.451 -10.521 0.074 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.661 -12.392 0.730 1.00 0.00 H new ATOM 0 HG3 MET A 551 -3.078 -13.251 1.300 1.00 0.00 H new ATOM 0 HE1 MET A 551 -5.149 -14.222 -1.364 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.147 -13.205 0.097 1.00 0.00 H new ATOM 0 HE3 MET A 551 -5.345 -12.459 -1.506 1.00 0.00 H new ATOM 672 N ASP A 552 -1.210 -11.811 3.477 1.00 0.00 N ATOM 673 CA ASP A 552 -0.866 -12.743 4.539 1.00 0.00 C ATOM 674 C ASP A 552 -1.044 -12.097 5.920 1.00 0.00 C ATOM 675 O ASP A 552 -1.323 -12.796 6.893 1.00 0.00 O ATOM 676 CB ASP A 552 0.582 -13.206 4.338 1.00 0.00 C ATOM 677 CG ASP A 552 0.998 -14.382 5.231 1.00 0.00 C ATOM 678 OD1 ASP A 552 0.360 -15.462 5.173 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.062 -14.291 5.894 1.00 0.00 O ATOM 0 H ASP A 552 -0.416 -11.558 2.889 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.535 -13.602 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.719 -13.491 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.250 -12.366 4.529 1.00 0.00 H new ATOM 684 N VAL A 553 -0.899 -10.768 6.016 1.00 0.00 N ATOM 685 CA VAL A 553 -0.990 -10.005 7.257 1.00 0.00 C ATOM 686 C VAL A 553 -2.459 -9.686 7.540 1.00 0.00 C ATOM 687 O VAL A 553 -3.010 -8.712 7.019 1.00 0.00 O ATOM 688 CB VAL A 553 -0.137 -8.723 7.173 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.115 -8.004 8.533 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.310 -9.014 6.755 1.00 0.00 C ATOM 0 H VAL A 553 -0.709 -10.181 5.204 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.595 -10.598 8.082 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.598 -8.092 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.491 -7.101 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -1.132 -7.736 8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.312 -8.665 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.871 -8.080 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 553 1.772 -9.680 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.317 -9.489 5.774 1.00 0.00 H new ATOM 700 N ARG A 554 -3.102 -10.500 8.371 1.00 0.00 N ATOM 701 CA ARG A 554 -4.527 -10.377 8.674 1.00 0.00 C ATOM 702 C ARG A 554 -4.868 -9.043 9.353 1.00 0.00 C ATOM 703 O ARG A 554 -5.918 -8.485 9.054 1.00 0.00 O ATOM 704 CB ARG A 554 -4.965 -11.588 9.508 1.00 0.00 C ATOM 705 CG ARG A 554 -4.854 -12.928 8.735 1.00 0.00 C ATOM 706 CD ARG A 554 -6.160 -13.375 8.069 1.00 0.00 C ATOM 707 NE ARG A 554 -7.130 -13.816 9.082 1.00 0.00 N ATOM 708 CZ ARG A 554 -8.396 -14.197 8.899 1.00 0.00 C ATOM 709 NH1 ARG A 554 -8.937 -14.262 7.688 1.00 0.00 N ATOM 710 NH2 ARG A 554 -9.115 -14.488 9.975 1.00 0.00 N ATOM 0 H ARG A 554 -2.646 -11.271 8.858 1.00 0.00 H new ATOM 0 HA ARG A 554 -5.088 -10.372 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -4.353 -11.643 10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.996 -11.446 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -4.083 -12.832 7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.525 -13.706 9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.579 -12.553 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -5.959 -14.188 7.371 1.00 0.00 H new ATOM 0 HE ARG A 554 -6.793 -13.833 10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -8.382 -14.017 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -9.907 -14.557 7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -8.697 -14.417 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -10.086 -14.783 9.875 1.00 0.00 H new ATOM 724 N ALA A 555 -4.003 -8.482 10.205 1.00 0.00 N ATOM 725 CA ALA A 555 -4.308 -7.239 10.920 1.00 0.00 C ATOM 726 C ALA A 555 -4.468 -6.033 9.986 1.00 0.00 C ATOM 727 O ALA A 555 -5.310 -5.168 10.224 1.00 0.00 O ATOM 728 CB ALA A 555 -3.225 -6.956 11.963 1.00 0.00 C ATOM 0 H ALA A 555 -3.084 -8.871 10.416 1.00 0.00 H new ATOM 0 HA ALA A 555 -5.270 -7.385 11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -3.460 -6.031 12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -3.183 -7.779 12.677 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -2.259 -6.856 11.467 1.00 0.00 H new ATOM 734 N ILE A 556 -3.673 -5.962 8.914 1.00 0.00 N ATOM 735 CA ILE A 556 -3.809 -4.909 7.908 1.00 0.00 C ATOM 736 C ILE A 556 -5.155 -5.092 7.201 1.00 0.00 C ATOM 737 O ILE A 556 -5.908 -4.124 7.034 1.00 0.00 O ATOM 738 CB ILE A 556 -2.592 -4.936 6.963 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.340 -4.393 7.681 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.821 -4.207 5.627 1.00 0.00 C ATOM 741 CD1 ILE A 556 -1.284 -2.872 7.853 1.00 0.00 C ATOM 0 H ILE A 556 -2.924 -6.627 8.722 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.813 -3.916 8.357 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.435 -5.982 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -1.279 -4.855 8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.458 -4.711 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.919 -4.271 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.651 -4.673 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.055 -3.160 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.364 -2.598 8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -1.307 -2.394 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -2.141 -2.540 8.439 1.00 0.00 H new ATOM 753 N MET A 557 -5.477 -6.341 6.839 1.00 0.00 N ATOM 754 CA MET A 557 -6.748 -6.695 6.228 1.00 0.00 C ATOM 755 C MET A 557 -7.888 -6.219 7.121 1.00 0.00 C ATOM 756 O MET A 557 -8.836 -5.637 6.607 1.00 0.00 O ATOM 757 CB MET A 557 -6.884 -8.209 5.970 1.00 0.00 C ATOM 758 CG MET A 557 -5.705 -8.912 5.282 1.00 0.00 C ATOM 759 SD MET A 557 -5.901 -9.268 3.527 1.00 0.00 S ATOM 760 CE MET A 557 -6.265 -7.596 2.982 1.00 0.00 C ATOM 0 H MET A 557 -4.851 -7.136 6.967 1.00 0.00 H new ATOM 0 HA MET A 557 -6.792 -6.202 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 557 -7.059 -8.700 6.927 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.774 -8.370 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.817 -8.293 5.408 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.516 -9.851 5.802 1.00 0.00 H new ATOM 0 HE1 MET A 557 -5.992 -7.488 1.932 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.330 -7.398 3.102 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.694 -6.886 3.580 1.00 0.00 H new ATOM 770 N ALA A 558 -7.796 -6.401 8.441 1.00 0.00 N ATOM 771 CA ALA A 558 -8.846 -6.021 9.370 1.00 0.00 C ATOM 772 C ALA A 558 -9.211 -4.536 9.258 1.00 0.00 C ATOM 773 O ALA A 558 -10.401 -4.228 9.280 1.00 0.00 O ATOM 774 CB ALA A 558 -8.462 -6.406 10.802 1.00 0.00 C ATOM 0 H ALA A 558 -6.982 -6.820 8.891 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.744 -6.577 9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.260 -6.114 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.311 -7.484 10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.541 -5.895 11.082 1.00 0.00 H new ATOM 780 N THR A 559 -8.258 -3.610 9.083 1.00 0.00 N ATOM 781 CA THR A 559 -8.627 -2.199 8.959 1.00 0.00 C ATOM 782 C THR A 559 -9.217 -1.932 7.569 1.00 0.00 C ATOM 783 O THR A 559 -10.197 -1.194 7.476 1.00 0.00 O ATOM 784 CB THR A 559 -7.444 -1.268 9.303 1.00 0.00 C ATOM 785 OG1 THR A 559 -7.122 -1.409 10.678 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.801 0.210 9.085 1.00 0.00 C ATOM 0 H THR A 559 -7.258 -3.805 9.026 1.00 0.00 H new ATOM 0 HA THR A 559 -9.401 -1.970 9.691 1.00 0.00 H new ATOM 0 HB THR A 559 -6.614 -1.547 8.653 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.370 -0.821 10.900 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.943 0.833 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.070 0.369 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.644 0.478 9.721 1.00 0.00 H new ATOM 794 N ILE A 560 -8.678 -2.517 6.499 1.00 0.00 N ATOM 795 CA ILE A 560 -9.248 -2.349 5.168 1.00 0.00 C ATOM 796 C ILE A 560 -10.669 -2.935 5.163 1.00 0.00 C ATOM 797 O ILE A 560 -11.637 -2.206 4.989 1.00 0.00 O ATOM 798 CB ILE A 560 -8.316 -2.976 4.116 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.920 -2.319 4.114 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.886 -2.802 2.694 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.850 -3.291 3.601 1.00 0.00 C ATOM 0 H ILE A 560 -7.849 -3.110 6.531 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.332 -1.295 4.904 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.237 -4.030 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -6.936 -1.427 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.666 -1.995 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.207 -3.255 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.860 -3.288 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -8.995 -1.740 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.877 -2.800 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.819 -4.171 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.092 -3.595 2.583 1.00 0.00 H new ATOM 813 N GLN A 561 -10.849 -4.230 5.407 1.00 0.00 N ATOM 814 CA GLN A 561 -12.153 -4.867 5.285 1.00 0.00 C ATOM 815 C GLN A 561 -13.208 -4.178 6.187 1.00 0.00 C ATOM 816 O GLN A 561 -14.380 -4.148 5.820 1.00 0.00 O ATOM 817 CB GLN A 561 -12.076 -6.350 5.674 1.00 0.00 C ATOM 818 CG GLN A 561 -11.152 -7.211 4.801 1.00 0.00 C ATOM 819 CD GLN A 561 -11.325 -8.680 5.157 1.00 0.00 C ATOM 820 OE1 GLN A 561 -10.543 -9.237 5.916 1.00 0.00 O ATOM 821 NE2 GLN A 561 -12.350 -9.349 4.646 1.00 0.00 N ATOM 0 H GLN A 561 -10.101 -4.861 5.692 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.453 -4.772 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.740 -6.420 6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -13.081 -6.771 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.382 -7.054 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -10.114 -6.912 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -13.000 -8.882 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -12.488 -10.331 4.885 1.00 0.00 H new ATOM 830 N ARG A 562 -12.839 -3.616 7.356 1.00 0.00 N ATOM 831 CA ARG A 562 -13.792 -2.898 8.221 1.00 0.00 C ATOM 832 C ARG A 562 -14.206 -1.565 7.621 1.00 0.00 C ATOM 833 O ARG A 562 -15.368 -1.169 7.705 1.00 0.00 O ATOM 834 CB ARG A 562 -13.250 -2.756 9.660 1.00 0.00 C ATOM 835 CG ARG A 562 -12.390 -1.559 10.104 1.00 0.00 C ATOM 836 CD ARG A 562 -13.194 -0.298 10.431 1.00 0.00 C ATOM 837 NE ARG A 562 -12.357 0.754 11.030 1.00 0.00 N ATOM 838 CZ ARG A 562 -12.801 1.981 11.336 1.00 0.00 C ATOM 839 NH1 ARG A 562 -14.016 2.373 10.958 1.00 0.00 N ATOM 840 NH2 ARG A 562 -12.027 2.813 12.023 1.00 0.00 N ATOM 0 H ARG A 562 -11.887 -3.647 7.721 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.698 -3.501 8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -14.115 -2.782 10.323 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.665 -3.653 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -11.812 -1.847 10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -11.675 -1.326 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.657 0.082 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.002 -0.552 11.117 1.00 0.00 H new ATOM 0 HE ARG A 562 -11.380 0.536 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -14.616 1.738 10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -14.347 3.308 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -11.096 2.518 12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -12.364 3.747 12.257 1.00 0.00 H new ATOM 854 N LYS A 563 -13.233 -0.846 7.070 1.00 0.00 N ATOM 855 CA LYS A 563 -13.425 0.425 6.383 1.00 0.00 C ATOM 856 C LYS A 563 -14.342 0.245 5.172 1.00 0.00 C ATOM 857 O LYS A 563 -15.149 1.135 4.924 1.00 0.00 O ATOM 858 CB LYS A 563 -12.044 0.966 5.985 1.00 0.00 C ATOM 859 CG LYS A 563 -12.008 2.341 5.320 1.00 0.00 C ATOM 860 CD LYS A 563 -12.424 3.553 6.171 1.00 0.00 C ATOM 861 CE LYS A 563 -11.576 4.756 5.719 1.00 0.00 C ATOM 862 NZ LYS A 563 -12.310 6.038 5.698 1.00 0.00 N ATOM 0 H LYS A 563 -12.257 -1.143 7.091 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.913 1.146 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.424 1.005 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.581 0.249 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -10.994 2.514 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -12.655 2.308 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -13.486 3.764 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.265 3.349 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.718 4.852 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -11.185 4.557 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -11.673 6.798 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -13.114 5.967 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -12.661 6.253 6.653 1.00 0.00 H new ATOM 876 N TYR A 564 -14.251 -0.877 4.455 1.00 0.00 N ATOM 877 CA TYR A 564 -14.968 -1.121 3.209 1.00 0.00 C ATOM 878 C TYR A 564 -15.799 -2.403 3.359 1.00 0.00 C ATOM 879 O TYR A 564 -15.281 -3.506 3.180 1.00 0.00 O ATOM 880 CB TYR A 564 -13.976 -1.192 2.029 1.00 0.00 C ATOM 881 CG TYR A 564 -13.011 -0.014 1.870 1.00 0.00 C ATOM 882 CD1 TYR A 564 -11.823 0.030 2.628 1.00 0.00 C ATOM 883 CD2 TYR A 564 -13.262 1.031 0.956 1.00 0.00 C ATOM 884 CE1 TYR A 564 -10.935 1.108 2.552 1.00 0.00 C ATOM 885 CE2 TYR A 564 -12.381 2.128 0.876 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.258 2.203 1.730 1.00 0.00 C ATOM 887 OH TYR A 564 -10.514 3.327 1.828 1.00 0.00 O ATOM 0 H TYR A 564 -13.660 -1.660 4.735 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.651 -0.299 2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.387 -2.103 2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.550 -1.289 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -11.592 -0.794 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -14.131 0.990 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -10.014 1.100 3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -12.565 2.914 0.159 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.105 4.102 1.931 1.00 0.00 H new ATOM 897 N LYS A 565 -17.077 -2.273 3.736 1.00 0.00 N ATOM 898 CA LYS A 565 -17.956 -3.407 4.027 1.00 0.00 C ATOM 899 C LYS A 565 -18.033 -4.412 2.871 1.00 0.00 C ATOM 900 O LYS A 565 -17.932 -4.028 1.712 1.00 0.00 O ATOM 901 CB LYS A 565 -19.325 -2.874 4.467 1.00 0.00 C ATOM 902 CG LYS A 565 -20.270 -2.621 3.290 1.00 0.00 C ATOM 903 CD LYS A 565 -21.662 -2.098 3.672 1.00 0.00 C ATOM 904 CE LYS A 565 -22.383 -3.059 4.625 1.00 0.00 C ATOM 905 NZ LYS A 565 -22.356 -2.581 6.021 1.00 0.00 N ATOM 0 H LYS A 565 -17.532 -1.367 3.848 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.533 -3.984 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.785 -3.588 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.187 -1.946 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.802 -1.903 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.389 -3.551 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.567 -1.120 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -22.260 -1.961 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -23.418 -3.179 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.916 -4.042 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -22.854 -3.261 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.370 -2.490 6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -22.825 -1.655 6.080 1.00 0.00 H new ATOM 919 N GLY A 566 -18.327 -5.679 3.165 1.00 0.00 N ATOM 920 CA GLY A 566 -18.659 -6.706 2.178 1.00 0.00 C ATOM 921 C GLY A 566 -17.440 -7.394 1.560 1.00 0.00 C ATOM 922 O GLY A 566 -17.554 -8.529 1.090 1.00 0.00 O ATOM 0 H GLY A 566 -18.341 -6.028 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.288 -7.460 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.250 -6.253 1.382 1.00 0.00 H new ATOM 926 N ILE A 567 -16.285 -6.732 1.516 1.00 0.00 N ATOM 927 CA ILE A 567 -15.070 -7.253 0.893 1.00 0.00 C ATOM 928 C ILE A 567 -14.534 -8.444 1.717 1.00 0.00 C ATOM 929 O ILE A 567 -14.524 -8.388 2.955 1.00 0.00 O ATOM 930 CB ILE A 567 -14.097 -6.062 0.757 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.040 -6.277 -0.333 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.444 -5.735 2.097 1.00 0.00 C ATOM 933 CD1 ILE A 567 -11.653 -5.673 -0.026 1.00 0.00 C ATOM 0 H ILE A 567 -16.166 -5.803 1.919 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.237 -7.661 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.695 -5.206 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -12.924 -7.348 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.408 -5.848 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.763 -4.893 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.214 -5.476 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -12.887 -6.602 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -10.976 -5.877 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -11.747 -4.595 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.256 -6.119 0.886 1.00 0.00 H new ATOM 945 N LYS A 568 -14.067 -9.528 1.074 1.00 0.00 N ATOM 946 CA LYS A 568 -13.936 -10.839 1.754 1.00 0.00 C ATOM 947 C LYS A 568 -12.681 -11.631 1.347 1.00 0.00 C ATOM 948 O LYS A 568 -12.683 -12.858 1.333 1.00 0.00 O ATOM 949 CB LYS A 568 -15.244 -11.595 1.413 1.00 0.00 C ATOM 950 CG LYS A 568 -15.612 -12.906 2.130 1.00 0.00 C ATOM 951 CD LYS A 568 -16.186 -12.746 3.536 1.00 0.00 C ATOM 952 CE LYS A 568 -15.102 -12.408 4.556 1.00 0.00 C ATOM 953 NZ LYS A 568 -15.592 -12.612 5.926 1.00 0.00 N ATOM 0 H LYS A 568 -13.776 -9.529 0.096 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.802 -10.704 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.067 -10.899 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.218 -11.812 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -16.337 -13.443 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.721 -13.530 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -16.940 -11.959 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -16.688 -13.668 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -14.225 -13.032 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -14.787 -11.372 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -14.838 -12.376 6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -16.414 -11.998 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -15.871 -13.606 6.051 1.00 0.00 H new ATOM 967 N ILE A 569 -11.559 -10.924 1.255 1.00 0.00 N ATOM 968 CA ILE A 569 -10.228 -11.318 0.767 1.00 0.00 C ATOM 969 C ILE A 569 -10.233 -12.125 -0.546 1.00 0.00 C ATOM 970 O ILE A 569 -11.045 -13.022 -0.777 1.00 0.00 O ATOM 971 CB ILE A 569 -9.327 -11.847 1.900 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.345 -10.896 3.124 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.870 -11.995 1.420 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.207 -9.402 2.776 1.00 0.00 C ATOM 0 H ILE A 569 -11.553 -9.949 1.553 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.734 -10.403 0.439 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.722 -12.820 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.277 -11.044 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.534 -11.175 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.254 -12.370 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.831 -12.695 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.493 -11.025 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.230 -8.811 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.262 -9.235 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -10.032 -9.101 2.130 1.00 0.00 H new ATOM 986 N GLN A 570 -9.365 -11.700 -1.464 1.00 0.00 N ATOM 987 CA GLN A 570 -9.425 -12.012 -2.877 1.00 0.00 C ATOM 988 C GLN A 570 -8.031 -11.757 -3.467 1.00 0.00 C ATOM 989 O GLN A 570 -7.621 -10.607 -3.533 1.00 0.00 O ATOM 990 CB GLN A 570 -10.527 -11.153 -3.541 1.00 0.00 C ATOM 991 CG GLN A 570 -10.712 -9.684 -3.070 1.00 0.00 C ATOM 992 CD GLN A 570 -11.472 -9.480 -1.751 1.00 0.00 C ATOM 993 OE1 GLN A 570 -12.518 -10.076 -1.493 1.00 0.00 O ATOM 994 NE2 GLN A 570 -10.986 -8.641 -0.837 1.00 0.00 N ATOM 0 H GLN A 570 -8.571 -11.105 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.689 -13.054 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -10.331 -11.134 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -11.477 -11.668 -3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -9.726 -9.231 -2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.236 -9.137 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -10.121 -8.132 -1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.479 -8.508 0.046 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.271 -12.794 -3.817 1.00 0.00 N ATOM 1004 CA GLU A 571 -5.970 -12.666 -4.470 1.00 0.00 C ATOM 1005 C GLU A 571 -6.189 -12.018 -5.835 1.00 0.00 C ATOM 1006 O GLU A 571 -7.247 -12.200 -6.449 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.333 -14.064 -4.615 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.854 -14.108 -5.074 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.646 -14.558 -6.540 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -4.431 -15.382 -7.078 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.639 -14.155 -7.168 1.00 0.00 O ATOM 0 H GLU A 571 -7.547 -13.762 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.294 -12.046 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.407 -14.573 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.928 -14.637 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.419 -13.117 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.304 -14.784 -4.419 1.00 0.00 H new ATOM 1018 N GLY A 572 -5.174 -11.326 -6.334 1.00 0.00 N ATOM 1019 CA GLY A 572 -5.221 -10.644 -7.619 1.00 0.00 C ATOM 1020 C GLY A 572 -5.447 -9.151 -7.446 1.00 0.00 C ATOM 1021 O GLY A 572 -5.017 -8.547 -6.459 1.00 0.00 O ATOM 0 H GLY A 572 -4.282 -11.221 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -4.288 -10.812 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -6.020 -11.066 -8.228 1.00 0.00 H new ATOM 1025 N ILE A 573 -6.038 -8.539 -8.469 1.00 0.00 N ATOM 1026 CA ILE A 573 -6.432 -7.139 -8.475 1.00 0.00 C ATOM 1027 C ILE A 573 -7.793 -7.037 -7.784 1.00 0.00 C ATOM 1028 O ILE A 573 -8.709 -7.819 -8.057 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.416 -6.630 -9.932 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.934 -6.372 -10.311 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.284 -5.366 -10.121 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.665 -6.187 -11.809 1.00 0.00 C ATOM 0 H ILE A 573 -6.261 -9.020 -9.340 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.744 -6.499 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.854 -7.379 -10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.591 -5.482 -9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.333 -7.207 -9.951 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -7.240 -5.047 -11.162 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.317 -5.590 -9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.909 -4.568 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.601 -6.013 -11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.970 -7.084 -12.347 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -5.232 -5.332 -12.178 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.931 -6.049 -6.904 1.00 0.00 N ATOM 1045 CA VAL A 574 -9.040 -5.892 -5.982 1.00 0.00 C ATOM 1046 C VAL A 574 -9.503 -4.440 -6.075 1.00 0.00 C ATOM 1047 O VAL A 574 -8.756 -3.520 -5.771 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.572 -6.322 -4.576 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.653 -6.101 -3.507 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.116 -7.781 -4.532 1.00 0.00 C ATOM 0 H VAL A 574 -7.239 -5.305 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.896 -6.523 -6.222 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.719 -5.682 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.275 -6.419 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.914 -5.043 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.539 -6.683 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.797 -8.032 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -8.942 -8.429 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.283 -7.923 -5.221 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.719 -4.210 -6.556 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.257 -2.876 -6.807 1.00 0.00 C ATOM 1062 C ASP A 575 -12.388 -2.617 -5.825 1.00 0.00 C ATOM 1063 O ASP A 575 -13.494 -3.135 -6.000 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.692 -2.763 -8.266 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.244 -1.362 -8.568 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -13.432 -1.056 -8.315 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -11.463 -0.531 -9.081 1.00 0.00 O ATOM 0 H ASP A 575 -11.372 -4.959 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.499 -2.108 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.845 -2.973 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.454 -3.512 -8.481 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.093 -1.894 -4.741 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.028 -1.714 -3.640 1.00 0.00 C ATOM 1074 C TYR A 576 -12.731 -0.398 -2.906 1.00 0.00 C ATOM 1075 O TYR A 576 -12.093 -0.388 -1.848 1.00 0.00 O ATOM 1076 CB TYR A 576 -12.994 -2.974 -2.745 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.370 -3.464 -2.359 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.088 -2.811 -1.345 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -14.913 -4.597 -2.989 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.331 -3.311 -0.921 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.144 -5.112 -2.556 1.00 0.00 C ATOM 1082 CZ TYR A 576 -16.863 -4.479 -1.523 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.056 -5.007 -1.130 1.00 0.00 O ATOM 0 H TYR A 576 -11.200 -1.420 -4.607 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.053 -1.616 -3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.465 -3.770 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.426 -2.755 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.683 -1.920 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.384 -5.070 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.879 -2.807 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.544 -6.002 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.206 -4.806 -0.183 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.176 0.729 -3.467 1.00 0.00 N ATOM 1094 CA GLY A 577 -12.855 2.048 -2.924 1.00 0.00 C ATOM 1095 C GLY A 577 -11.469 2.461 -3.374 1.00 0.00 C ATOM 1096 O GLY A 577 -11.292 3.153 -4.369 1.00 0.00 O ATOM 0 H GLY A 577 -13.762 0.752 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -13.590 2.779 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -12.903 2.025 -1.835 1.00 0.00 H new ATOM 1100 N VAL A 578 -10.469 1.972 -2.660 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.128 1.839 -3.113 1.00 0.00 C ATOM 1102 C VAL A 578 -8.982 0.610 -3.984 1.00 0.00 C ATOM 1103 O VAL A 578 -9.755 -0.353 -3.941 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.154 2.173 -1.969 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -8.635 2.125 -0.516 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -6.676 1.744 -2.153 1.00 0.00 C ATOM 0 H VAL A 578 -10.595 1.645 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 578 -8.809 2.587 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 578 -8.168 3.248 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -7.812 2.390 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -9.453 2.832 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -8.982 1.119 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -6.100 2.039 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -6.624 0.662 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -6.264 2.229 -3.038 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.020 0.734 -4.872 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.618 -0.296 -5.786 1.00 0.00 C ATOM 1118 C ARG A 579 -6.445 -0.953 -5.100 1.00 0.00 C ATOM 1119 O ARG A 579 -5.420 -0.315 -4.858 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.235 0.319 -7.128 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.021 -0.757 -8.198 1.00 0.00 C ATOM 1122 CD ARG A 579 -8.324 -1.236 -8.836 1.00 0.00 C ATOM 1123 NE ARG A 579 -8.036 -1.978 -10.069 1.00 0.00 N ATOM 1124 CZ ARG A 579 -8.832 -2.170 -11.121 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -10.102 -1.793 -11.123 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -8.338 -2.743 -12.204 1.00 0.00 N ATOM 0 H ARG A 579 -7.479 1.592 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.404 -1.017 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.018 1.005 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.324 0.906 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.366 -0.363 -8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -6.508 -1.608 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -8.868 -1.872 -8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -8.966 -0.383 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 579 -7.109 -2.400 -10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -10.501 -1.339 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -10.681 -1.956 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -7.360 -3.032 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -8.935 -2.897 -13.017 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.634 -2.199 -4.726 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.627 -3.038 -4.107 1.00 0.00 C ATOM 1142 C PHE A 580 -5.085 -4.078 -5.091 1.00 0.00 C ATOM 1143 O PHE A 580 -5.727 -4.426 -6.080 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.208 -3.691 -2.860 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.570 -2.696 -1.804 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -7.687 -1.869 -1.968 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -5.741 -2.516 -0.699 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -7.934 -0.842 -1.054 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -6.079 -1.613 0.326 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.178 -0.749 0.129 1.00 0.00 C ATOM 0 H PHE A 580 -7.527 -2.676 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.780 -2.418 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.094 -4.263 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.485 -4.398 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -8.357 -2.025 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -4.822 -3.080 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -8.708 -0.117 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -5.510 -1.582 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 580 -7.437 -0.020 0.883 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.896 -4.594 -4.798 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.275 -5.746 -5.437 1.00 0.00 C ATOM 1162 C PHE A 581 -2.765 -6.661 -4.321 1.00 0.00 C ATOM 1163 O PHE A 581 -1.852 -6.274 -3.591 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.176 -5.224 -6.367 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.175 -6.222 -6.905 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.550 -7.157 -7.885 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.162 -6.158 -6.473 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.586 -8.034 -8.413 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.120 -7.047 -6.982 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.740 -7.996 -7.942 1.00 0.00 C ATOM 0 H PHE A 581 -3.307 -4.196 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.959 -6.331 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.658 -4.741 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.624 -4.451 -5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.572 -7.202 -8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.454 -5.418 -5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.864 -8.739 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.142 -7.001 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.467 -8.700 -8.321 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.402 -7.819 -4.139 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.137 -8.808 -3.097 1.00 0.00 C ATOM 1182 C PHE A 582 -2.359 -9.985 -3.688 1.00 0.00 C ATOM 1183 O PHE A 582 -2.732 -10.496 -4.747 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.475 -9.297 -2.514 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.301 -8.303 -1.704 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.833 -7.014 -1.395 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.579 -8.679 -1.256 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.615 -6.142 -0.618 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.398 -7.773 -0.563 1.00 0.00 C ATOM 1190 CZ PHE A 582 -6.913 -6.496 -0.233 1.00 0.00 C ATOM 0 H PHE A 582 -4.163 -8.107 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.541 -8.357 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.092 -9.651 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.269 -10.158 -1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -3.868 -6.692 -1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.937 -9.680 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.210 -5.188 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.402 -8.058 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.533 -5.798 0.310 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.298 -10.415 -3.006 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.386 -11.488 -3.399 1.00 0.00 C ATOM 1202 C TYR A 583 0.093 -12.221 -2.142 1.00 0.00 C ATOM 1203 O TYR A 583 0.068 -11.667 -1.035 1.00 0.00 O ATOM 1204 CB TYR A 583 0.814 -10.897 -4.162 1.00 0.00 C ATOM 1205 CG TYR A 583 1.356 -9.635 -3.517 1.00 0.00 C ATOM 1206 CD1 TYR A 583 2.202 -9.706 -2.394 1.00 0.00 C ATOM 1207 CD2 TYR A 583 0.871 -8.391 -3.951 1.00 0.00 C ATOM 1208 CE1 TYR A 583 2.540 -8.538 -1.687 1.00 0.00 C ATOM 1209 CE2 TYR A 583 1.204 -7.223 -3.256 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.020 -7.293 -2.111 1.00 0.00 C ATOM 1211 OH TYR A 583 2.257 -6.155 -1.410 1.00 0.00 O ATOM 0 H TYR A 583 -1.037 -9.999 -2.112 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.901 -12.192 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.608 -11.642 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.515 -10.676 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.593 -10.661 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 583 0.238 -8.335 -4.825 1.00 0.00 H new ATOM 0 HE1 TYR A 583 3.191 -8.591 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 583 0.835 -6.267 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 583 2.155 -6.334 -0.452 1.00 0.00 H new ATOM 1221 N THR A 584 0.536 -13.466 -2.323 1.00 0.00 N ATOM 1222 CA THR A 584 0.794 -14.383 -1.221 1.00 0.00 C ATOM 1223 C THR A 584 2.148 -14.132 -0.526 1.00 0.00 C ATOM 1224 O THR A 584 3.044 -13.509 -1.104 1.00 0.00 O ATOM 1225 CB THR A 584 0.616 -15.832 -1.693 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.662 -16.234 -2.555 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.721 -16.089 -2.402 1.00 0.00 C ATOM 0 H THR A 584 0.725 -13.864 -3.243 1.00 0.00 H new ATOM 0 HA THR A 584 0.054 -14.190 -0.444 1.00 0.00 H new ATOM 0 HB THR A 584 0.634 -16.423 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.517 -17.162 -2.834 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.776 -17.134 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.543 -15.866 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.795 -15.450 -3.282 1.00 0.00 H new ATOM 1235 N SER A 585 2.350 -14.656 0.692 1.00 0.00 N ATOM 1236 CA SER A 585 3.641 -14.610 1.390 1.00 0.00 C ATOM 1237 C SER A 585 4.650 -15.636 0.857 1.00 0.00 C ATOM 1238 O SER A 585 5.827 -15.566 1.229 1.00 0.00 O ATOM 1239 CB SER A 585 3.451 -14.810 2.901 1.00 0.00 C ATOM 1240 OG SER A 585 3.779 -13.640 3.632 1.00 0.00 O ATOM 0 H SER A 585 1.617 -15.126 1.223 1.00 0.00 H new ATOM 0 HA SER A 585 4.053 -13.619 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 585 2.417 -15.087 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 585 4.075 -15.637 3.240 1.00 0.00 H new ATOM 0 HG SER A 585 3.353 -13.675 4.514 1.00 0.00 H new ATOM 1246 N LYS A 586 4.245 -16.595 0.014 1.00 0.00 N ATOM 1247 CA LYS A 586 5.221 -17.380 -0.734 1.00 0.00 C ATOM 1248 C LYS A 586 5.877 -16.506 -1.784 1.00 0.00 C ATOM 1249 O LYS A 586 7.061 -16.734 -2.046 1.00 0.00 O ATOM 1250 CB LYS A 586 4.622 -18.646 -1.361 1.00 0.00 C ATOM 1251 CG LYS A 586 4.470 -19.767 -0.321 1.00 0.00 C ATOM 1252 CD LYS A 586 3.824 -21.035 -0.895 1.00 0.00 C ATOM 1253 CE LYS A 586 4.199 -22.290 -0.102 1.00 0.00 C ATOM 1254 NZ LYS A 586 3.543 -22.389 1.217 1.00 0.00 N ATOM 0 H LYS A 586 3.270 -16.838 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 586 5.974 -17.728 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.649 -18.414 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 586 5.260 -18.987 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.452 -20.017 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 586 3.867 -19.404 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 586 2.740 -20.919 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 586 4.132 -21.159 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 586 3.940 -23.170 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 586 5.280 -22.308 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 3.847 -23.263 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 3.808 -21.569 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 2.511 -22.404 1.091 1.00 0.00 H new ATOM 1268 N GLU A 587 5.192 -15.496 -2.333 1.00 0.00 N ATOM 1269 CA GLU A 587 5.852 -14.679 -3.346 1.00 0.00 C ATOM 1270 C GLU A 587 6.948 -13.824 -2.680 1.00 0.00 C ATOM 1271 O GLU A 587 6.710 -13.271 -1.601 1.00 0.00 O ATOM 1272 CB GLU A 587 4.798 -13.854 -4.089 1.00 0.00 C ATOM 1273 CG GLU A 587 5.344 -13.292 -5.408 1.00 0.00 C ATOM 1274 CD GLU A 587 4.269 -12.898 -6.434 1.00 0.00 C ATOM 1275 OE1 GLU A 587 3.063 -12.951 -6.114 1.00 0.00 O ATOM 1276 OE2 GLU A 587 4.674 -12.601 -7.589 1.00 0.00 O ATOM 0 H GLU A 587 4.232 -15.237 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 587 6.351 -15.299 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.926 -14.475 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.464 -13.033 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.955 -12.417 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.002 -14.035 -5.859 1.00 0.00 H new ATOM 1283 N PRO A 588 8.163 -13.692 -3.239 1.00 0.00 N ATOM 1284 CA PRO A 588 9.173 -12.785 -2.705 1.00 0.00 C ATOM 1285 C PRO A 588 8.853 -11.341 -3.067 1.00 0.00 C ATOM 1286 O PRO A 588 8.072 -11.044 -3.975 1.00 0.00 O ATOM 1287 CB PRO A 588 10.509 -13.244 -3.293 1.00 0.00 C ATOM 1288 CG PRO A 588 10.130 -13.948 -4.593 1.00 0.00 C ATOM 1289 CD PRO A 588 8.681 -14.411 -4.389 1.00 0.00 C ATOM 0 HA PRO A 588 9.205 -12.814 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.173 -12.399 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.031 -13.918 -2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.212 -13.273 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.790 -14.793 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.082 -14.204 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.640 -15.487 -4.221 1.00 0.00 H new ATOM 1297 N VAL A 589 9.489 -10.433 -2.342 1.00 0.00 N ATOM 1298 CA VAL A 589 9.375 -9.003 -2.559 1.00 0.00 C ATOM 1299 C VAL A 589 10.037 -8.667 -3.904 1.00 0.00 C ATOM 1300 O VAL A 589 9.497 -7.880 -4.680 1.00 0.00 O ATOM 1301 CB VAL A 589 10.021 -8.261 -1.368 1.00 0.00 C ATOM 1302 CG1 VAL A 589 9.615 -6.779 -1.323 1.00 0.00 C ATOM 1303 CG2 VAL A 589 9.680 -8.879 0.001 1.00 0.00 C ATOM 0 H VAL A 589 10.111 -10.677 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 589 8.335 -8.682 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 589 11.092 -8.359 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.092 -6.297 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 589 9.932 -6.287 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 589 8.532 -6.701 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.168 -8.307 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 589 8.601 -8.858 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.030 -9.911 0.032 1.00 0.00 H new ATOM 1313 N ALA A 590 11.148 -9.333 -4.247 1.00 0.00 N ATOM 1314 CA ALA A 590 11.769 -9.184 -5.556 1.00 0.00 C ATOM 1315 C ALA A 590 10.799 -9.514 -6.702 1.00 0.00 C ATOM 1316 O ALA A 590 10.811 -8.811 -7.716 1.00 0.00 O ATOM 1317 CB ALA A 590 13.020 -10.060 -5.621 1.00 0.00 C ATOM 0 H ALA A 590 11.632 -9.982 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 590 12.050 -8.139 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.489 -9.952 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.721 -9.751 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.743 -11.102 -5.464 1.00 0.00 H new ATOM 1323 N SER A 591 9.934 -10.523 -6.535 1.00 0.00 N ATOM 1324 CA SER A 591 8.953 -10.904 -7.541 1.00 0.00 C ATOM 1325 C SER A 591 7.912 -9.806 -7.725 1.00 0.00 C ATOM 1326 O SER A 591 7.587 -9.463 -8.864 1.00 0.00 O ATOM 1327 CB SER A 591 8.237 -12.177 -7.099 1.00 0.00 C ATOM 1328 OG SER A 591 8.786 -13.343 -7.663 1.00 0.00 O ATOM 0 H SER A 591 9.901 -11.096 -5.692 1.00 0.00 H new ATOM 0 HA SER A 591 9.477 -11.066 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.279 -12.252 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.184 -12.109 -7.373 1.00 0.00 H new ATOM 0 HG SER A 591 8.199 -14.105 -7.475 1.00 0.00 H new ATOM 1334 N ILE A 592 7.347 -9.283 -6.630 1.00 0.00 N ATOM 1335 CA ILE A 592 6.270 -8.311 -6.750 1.00 0.00 C ATOM 1336 C ILE A 592 6.804 -6.986 -7.299 1.00 0.00 C ATOM 1337 O ILE A 592 6.085 -6.314 -8.027 1.00 0.00 O ATOM 1338 CB ILE A 592 5.470 -8.151 -5.446 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.230 -7.452 -4.303 1.00 0.00 C ATOM 1340 CG2 ILE A 592 4.954 -9.511 -4.954 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.513 -6.190 -3.843 1.00 0.00 C ATOM 0 H ILE A 592 7.615 -9.514 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 592 5.550 -8.693 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 592 4.640 -7.495 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.336 -8.138 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.236 -7.199 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.391 -9.374 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.306 -9.950 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 592 5.798 -10.175 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.078 -5.724 -3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.431 -5.494 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.516 -6.448 -3.486 1.00 0.00 H new ATOM 1353 N ILE A 593 8.070 -6.641 -7.033 1.00 0.00 N ATOM 1354 CA ILE A 593 8.734 -5.504 -7.659 1.00 0.00 C ATOM 1355 C ILE A 593 8.724 -5.721 -9.174 1.00 0.00 C ATOM 1356 O ILE A 593 8.153 -4.899 -9.883 1.00 0.00 O ATOM 1357 CB ILE A 593 10.136 -5.281 -7.045 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.971 -4.696 -5.624 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.984 -4.328 -7.907 1.00 0.00 C ATOM 1360 CD1 ILE A 593 11.233 -4.820 -4.766 1.00 0.00 C ATOM 0 H ILE A 593 8.660 -7.149 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 593 8.202 -4.573 -7.463 1.00 0.00 H new ATOM 0 HB ILE A 593 10.655 -6.239 -7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.695 -3.644 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 593 9.148 -5.205 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.963 -4.194 -7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.107 -4.752 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.483 -3.363 -7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 593 11.048 -4.390 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.498 -5.872 -4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 593 12.053 -4.287 -5.246 1.00 0.00 H new ATOM 1372 N THR A 594 9.248 -6.847 -9.671 1.00 0.00 N ATOM 1373 CA THR A 594 9.255 -7.208 -11.095 1.00 0.00 C ATOM 1374 C THR A 594 7.856 -7.119 -11.752 1.00 0.00 C ATOM 1375 O THR A 594 7.729 -6.883 -12.957 1.00 0.00 O ATOM 1376 CB THR A 594 9.967 -8.576 -11.237 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.208 -8.406 -11.898 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.177 -9.652 -11.967 1.00 0.00 C ATOM 0 H THR A 594 9.690 -7.551 -9.080 1.00 0.00 H new ATOM 0 HA THR A 594 9.822 -6.475 -11.668 1.00 0.00 H new ATOM 0 HB THR A 594 10.090 -8.931 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.655 -9.274 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.765 -10.568 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.246 -9.844 -11.434 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.953 -9.315 -12.979 1.00 0.00 H new ATOM 1386 N LYS A 595 6.803 -7.246 -10.950 1.00 0.00 N ATOM 1387 CA LYS A 595 5.402 -7.205 -11.378 1.00 0.00 C ATOM 1388 C LYS A 595 4.922 -5.763 -11.436 1.00 0.00 C ATOM 1389 O LYS A 595 4.410 -5.327 -12.459 1.00 0.00 O ATOM 1390 CB LYS A 595 4.509 -8.036 -10.435 1.00 0.00 C ATOM 1391 CG LYS A 595 3.970 -9.298 -11.118 1.00 0.00 C ATOM 1392 CD LYS A 595 3.010 -10.060 -10.193 1.00 0.00 C ATOM 1393 CE LYS A 595 2.773 -11.504 -10.639 1.00 0.00 C ATOM 1394 NZ LYS A 595 3.862 -12.414 -10.225 1.00 0.00 N ATOM 0 H LYS A 595 6.902 -7.386 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 595 5.332 -7.643 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.080 -8.318 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.674 -7.424 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 595 3.453 -9.025 -12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 595 4.800 -9.946 -11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.413 -10.060 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.055 -9.535 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 595 1.830 -11.859 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 595 2.673 -11.533 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 3.551 -13.400 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 4.699 -12.246 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 4.102 -12.237 -9.229 1.00 0.00 H new ATOM 1408 N LEU A 596 5.105 -5.010 -10.353 1.00 0.00 N ATOM 1409 CA LEU A 596 4.765 -3.594 -10.276 1.00 0.00 C ATOM 1410 C LEU A 596 5.508 -2.809 -11.349 1.00 0.00 C ATOM 1411 O LEU A 596 4.933 -1.885 -11.911 1.00 0.00 O ATOM 1412 CB LEU A 596 5.072 -3.053 -8.875 1.00 0.00 C ATOM 1413 CG LEU A 596 4.128 -3.631 -7.802 1.00 0.00 C ATOM 1414 CD1 LEU A 596 4.718 -3.364 -6.420 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.717 -3.039 -7.881 1.00 0.00 C ATOM 0 H LEU A 596 5.502 -5.376 -9.488 1.00 0.00 H new ATOM 0 HA LEU A 596 3.697 -3.475 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.103 -3.291 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.988 -1.966 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 596 4.039 -4.702 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 596 4.055 -3.771 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 596 5.695 -3.841 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.826 -2.290 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 596 2.093 -3.480 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.767 -1.960 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.286 -3.255 -8.858 1.00 0.00 H new ATOM 1427 N ASN A 597 6.729 -3.215 -11.701 1.00 0.00 N ATOM 1428 CA ASN A 597 7.474 -2.656 -12.827 1.00 0.00 C ATOM 1429 C ASN A 597 6.699 -2.847 -14.138 1.00 0.00 C ATOM 1430 O ASN A 597 6.573 -1.903 -14.921 1.00 0.00 O ATOM 1431 CB ASN A 597 8.858 -3.309 -12.960 1.00 0.00 C ATOM 1432 CG ASN A 597 9.775 -3.120 -11.759 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.792 -2.091 -11.085 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.546 -4.146 -11.458 1.00 0.00 N ATOM 0 H ASN A 597 7.233 -3.950 -11.205 1.00 0.00 H new ATOM 0 HA ASN A 597 7.604 -1.591 -12.633 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.725 -4.377 -13.132 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.352 -2.903 -13.843 1.00 0.00 H new ATOM 0 HD21 ASN A 597 11.171 -4.095 -10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.517 -4.990 -12.029 1.00 0.00 H new ATOM 1441 N SER A 598 6.159 -4.051 -14.361 1.00 0.00 N ATOM 1442 CA SER A 598 5.358 -4.429 -15.527 1.00 0.00 C ATOM 1443 C SER A 598 4.093 -3.573 -15.629 1.00 0.00 C ATOM 1444 O SER A 598 3.637 -3.282 -16.728 1.00 0.00 O ATOM 1445 CB SER A 598 4.974 -5.918 -15.413 1.00 0.00 C ATOM 1446 OG SER A 598 4.953 -6.589 -16.662 1.00 0.00 O ATOM 0 H SER A 598 6.275 -4.822 -13.703 1.00 0.00 H new ATOM 0 HA SER A 598 5.950 -4.263 -16.427 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.681 -6.419 -14.751 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.991 -5.998 -14.949 1.00 0.00 H new ATOM 0 HG SER A 598 4.705 -7.527 -16.525 1.00 0.00 H new ATOM 1452 N LEU A 599 3.527 -3.161 -14.497 1.00 0.00 N ATOM 1453 CA LEU A 599 2.308 -2.378 -14.382 1.00 0.00 C ATOM 1454 C LEU A 599 2.649 -0.896 -14.545 1.00 0.00 C ATOM 1455 O LEU A 599 1.916 -0.172 -15.213 1.00 0.00 O ATOM 1456 CB LEU A 599 1.635 -2.703 -13.034 1.00 0.00 C ATOM 1457 CG LEU A 599 1.182 -4.181 -12.924 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.934 -4.565 -11.464 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.104 -4.442 -13.716 1.00 0.00 C ATOM 0 H LEU A 599 3.933 -3.379 -13.587 1.00 0.00 H new ATOM 0 HA LEU A 599 1.595 -2.628 -15.168 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.330 -2.481 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.771 -2.053 -12.900 1.00 0.00 H new ATOM 0 HG LEU A 599 1.987 -4.786 -13.341 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.617 -5.606 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.853 -4.436 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.155 -3.927 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.388 -5.489 -13.613 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.904 -3.809 -13.330 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.064 -4.213 -14.768 1.00 0.00 H new ATOM 1471 N ASN A 600 3.793 -0.466 -13.994 1.00 0.00 N ATOM 1472 CA ASN A 600 4.360 0.885 -14.020 1.00 0.00 C ATOM 1473 C ASN A 600 3.360 1.964 -13.590 1.00 0.00 C ATOM 1474 O ASN A 600 3.424 3.111 -14.037 1.00 0.00 O ATOM 1475 CB ASN A 600 5.184 1.184 -15.300 1.00 0.00 C ATOM 1476 CG ASN A 600 4.592 0.622 -16.588 1.00 0.00 C ATOM 1477 OD1 ASN A 600 3.935 1.324 -17.352 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.871 -0.645 -16.869 1.00 0.00 N ATOM 0 H ASN A 600 4.393 -1.109 -13.477 1.00 0.00 H new ATOM 0 HA ASN A 600 5.116 0.923 -13.236 1.00 0.00 H new ATOM 0 HB2 ASN A 600 5.287 2.264 -15.405 1.00 0.00 H new ATOM 0 HB3 ASN A 600 6.188 0.779 -15.171 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.537 -1.060 -17.739 1.00 0.00 H new ATOM 0 HD22 ASN A 600 5.419 -1.204 -16.215 1.00 0.00 H new ATOM 1485 N GLU A 601 2.468 1.609 -12.666 1.00 0.00 N ATOM 1486 CA GLU A 601 1.395 2.469 -12.186 1.00 0.00 C ATOM 1487 C GLU A 601 1.840 3.344 -11.001 1.00 0.00 C ATOM 1488 O GLU A 601 2.822 2.998 -10.335 1.00 0.00 O ATOM 1489 CB GLU A 601 0.213 1.605 -11.778 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.355 0.839 -12.972 1.00 0.00 C ATOM 1491 CD GLU A 601 -0.991 1.654 -14.110 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -1.071 2.900 -14.071 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -1.476 1.013 -15.073 1.00 0.00 O ATOM 0 H GLU A 601 2.475 0.691 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 601 1.112 3.142 -12.995 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.524 0.901 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.565 2.232 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 601 0.449 0.239 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -1.106 0.144 -12.597 1.00 0.00 H new ATOM 1500 N PRO A 602 1.119 4.438 -10.690 1.00 0.00 N ATOM 1501 CA PRO A 602 1.356 5.279 -9.523 1.00 0.00 C ATOM 1502 C PRO A 602 0.902 4.566 -8.241 1.00 0.00 C ATOM 1503 O PRO A 602 -0.294 4.353 -8.038 1.00 0.00 O ATOM 1504 CB PRO A 602 0.562 6.573 -9.760 1.00 0.00 C ATOM 1505 CG PRO A 602 -0.203 6.377 -11.075 1.00 0.00 C ATOM 1506 CD PRO A 602 -0.097 4.881 -11.354 1.00 0.00 C ATOM 0 HA PRO A 602 2.416 5.495 -9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 602 -0.125 6.763 -8.936 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.230 7.432 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -1.242 6.691 -10.981 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.236 6.964 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.968 4.349 -10.970 1.00 0.00 H new ATOM 0 HD3 PRO A 602 -0.051 4.686 -12.425 1.00 0.00 H new ATOM 1514 N LEU A 603 1.838 4.195 -7.364 1.00 0.00 N ATOM 1515 CA LEU A 603 1.511 3.494 -6.121 1.00 0.00 C ATOM 1516 C LEU A 603 1.482 4.455 -4.938 1.00 0.00 C ATOM 1517 O LEU A 603 2.147 5.498 -4.940 1.00 0.00 O ATOM 1518 CB LEU A 603 2.522 2.381 -5.810 1.00 0.00 C ATOM 1519 CG LEU A 603 2.887 1.456 -6.973 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.954 0.470 -6.483 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.688 0.713 -7.558 1.00 0.00 C ATOM 0 H LEU A 603 2.834 4.370 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 603 0.525 3.055 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.437 2.843 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.122 1.771 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 603 3.270 2.070 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.230 -0.201 -7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.834 1.021 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.557 -0.112 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.019 0.076 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.228 0.099 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.960 1.434 -7.930 1.00 0.00 H new ATOM 1533 N VAL A 604 0.786 4.038 -3.882 1.00 0.00 N ATOM 1534 CA VAL A 604 0.899 4.602 -2.550 1.00 0.00 C ATOM 1535 C VAL A 604 0.870 3.408 -1.576 1.00 0.00 C ATOM 1536 O VAL A 604 -0.097 2.648 -1.519 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.174 5.705 -2.372 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.612 5.196 -2.476 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.004 6.487 -1.067 1.00 0.00 C ATOM 0 H VAL A 604 0.110 3.276 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 604 1.829 5.134 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 604 -0.002 6.376 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.303 6.028 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.770 4.749 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.790 4.447 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.782 7.247 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.083 5.804 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.974 6.968 -1.056 1.00 0.00 H new ATOM 1549 N THR A 605 1.973 3.157 -0.870 1.00 0.00 N ATOM 1550 CA THR A 605 2.112 2.037 0.060 1.00 0.00 C ATOM 1551 C THR A 605 3.196 2.344 1.103 1.00 0.00 C ATOM 1552 O THR A 605 3.574 3.497 1.305 1.00 0.00 O ATOM 1553 CB THR A 605 2.308 0.731 -0.736 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.420 -0.411 0.082 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.463 0.743 -1.731 1.00 0.00 C ATOM 0 H THR A 605 2.810 3.737 -0.930 1.00 0.00 H new ATOM 0 HA THR A 605 1.202 1.891 0.643 1.00 0.00 H new ATOM 0 HB THR A 605 1.385 0.673 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 605 2.986 -1.077 -0.362 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.516 -0.220 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.302 1.532 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.398 0.926 -1.201 1.00 0.00 H new ATOM 1563 N MET A 606 3.621 1.341 1.855 1.00 0.00 N ATOM 1564 CA MET A 606 4.647 1.352 2.872 1.00 0.00 C ATOM 1565 C MET A 606 5.825 0.559 2.302 1.00 0.00 C ATOM 1566 O MET A 606 5.776 0.136 1.139 1.00 0.00 O ATOM 1567 CB MET A 606 4.076 0.734 4.161 1.00 0.00 C ATOM 1568 CG MET A 606 2.577 0.942 4.326 1.00 0.00 C ATOM 1569 SD MET A 606 1.561 -0.347 3.553 1.00 0.00 S ATOM 1570 CE MET A 606 0.011 0.563 3.469 1.00 0.00 C ATOM 0 H MET A 606 3.213 0.412 1.754 1.00 0.00 H new ATOM 0 HA MET A 606 4.984 2.356 3.131 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.288 -0.335 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.591 1.165 5.020 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.342 0.986 5.389 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.306 1.908 3.900 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.810 -0.132 3.290 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.155 1.086 4.411 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.058 1.287 2.655 1.00 0.00 H new ATOM 1580 N PRO A 607 6.891 0.311 3.071 1.00 0.00 N ATOM 1581 CA PRO A 607 7.769 -0.780 2.725 1.00 0.00 C ATOM 1582 C PRO A 607 6.979 -2.087 2.904 1.00 0.00 C ATOM 1583 O PRO A 607 6.751 -2.537 4.027 1.00 0.00 O ATOM 1584 CB PRO A 607 8.978 -0.605 3.631 1.00 0.00 C ATOM 1585 CG PRO A 607 8.546 0.272 4.803 1.00 0.00 C ATOM 1586 CD PRO A 607 7.167 0.793 4.419 1.00 0.00 C ATOM 0 HA PRO A 607 8.124 -0.803 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.335 -1.572 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.801 -0.141 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.508 -0.300 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.247 1.091 4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.411 0.436 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.143 1.882 4.452 1.00 0.00 H new ATOM 1594 N ILE A 608 6.483 -2.642 1.796 1.00 0.00 N ATOM 1595 CA ILE A 608 5.715 -3.880 1.684 1.00 0.00 C ATOM 1596 C ILE A 608 6.422 -4.998 2.444 1.00 0.00 C ATOM 1597 O ILE A 608 5.923 -5.487 3.457 1.00 0.00 O ATOM 1598 CB ILE A 608 5.521 -4.233 0.188 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.642 -3.194 -0.539 1.00 0.00 C ATOM 1600 CG2 ILE A 608 4.942 -5.641 -0.010 1.00 0.00 C ATOM 1601 CD1 ILE A 608 4.831 -3.281 -2.057 1.00 0.00 C ATOM 0 H ILE A 608 6.619 -2.203 0.886 1.00 0.00 H new ATOM 0 HA ILE A 608 4.729 -3.751 2.130 1.00 0.00 H new ATOM 0 HB ILE A 608 6.517 -4.214 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.594 -3.360 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.897 -2.192 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 608 4.825 -5.840 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 608 5.618 -6.377 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 608 3.971 -5.707 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 608 4.200 -2.538 -2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 608 5.875 -3.090 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 608 4.552 -4.277 -2.402 1.00 0.00 H new ATOM 1613 N GLY A 609 7.572 -5.423 1.926 1.00 0.00 N ATOM 1614 CA GLY A 609 8.406 -6.439 2.529 1.00 0.00 C ATOM 1615 C GLY A 609 9.216 -5.739 3.581 1.00 0.00 C ATOM 1616 O GLY A 609 10.332 -5.369 3.264 1.00 0.00 O ATOM 0 H GLY A 609 7.952 -5.056 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 609 7.800 -7.232 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.052 -6.905 1.785 1.00 0.00 H new ATOM 1620 N TYR A 610 8.648 -5.494 4.757 1.00 0.00 N ATOM 1621 CA TYR A 610 9.280 -4.930 5.943 1.00 0.00 C ATOM 1622 C TYR A 610 9.305 -5.966 7.051 1.00 0.00 C ATOM 1623 O TYR A 610 10.377 -6.322 7.506 1.00 0.00 O ATOM 1624 CB TYR A 610 8.566 -3.648 6.382 1.00 0.00 C ATOM 1625 CG TYR A 610 8.977 -3.118 7.744 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.335 -2.884 8.039 1.00 0.00 C ATOM 1627 CD2 TYR A 610 7.994 -2.870 8.723 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.704 -2.407 9.310 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.361 -2.403 9.997 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.721 -2.168 10.294 1.00 0.00 C ATOM 1631 OH TYR A 610 10.092 -1.669 11.504 1.00 0.00 O ATOM 0 H TYR A 610 7.662 -5.700 4.917 1.00 0.00 H new ATOM 0 HA TYR A 610 10.309 -4.659 5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 610 8.751 -2.874 5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.492 -3.833 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.091 -3.071 7.291 1.00 0.00 H new ATOM 0 HD2 TYR A 610 6.953 -3.040 8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.744 -2.223 9.534 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.604 -2.224 10.747 1.00 0.00 H new ATOM 0 HH TYR A 610 9.299 -1.560 12.070 1.00 0.00 H new ATOM 1641 N VAL A 611 8.156 -6.486 7.467 1.00 0.00 N ATOM 1642 CA VAL A 611 8.046 -7.421 8.586 1.00 0.00 C ATOM 1643 C VAL A 611 7.203 -8.641 8.188 1.00 0.00 C ATOM 1644 O VAL A 611 7.218 -9.691 8.824 1.00 0.00 O ATOM 1645 CB VAL A 611 7.483 -6.611 9.776 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.584 -7.414 10.711 1.00 0.00 C ATOM 1647 CG2 VAL A 611 8.628 -5.964 10.560 1.00 0.00 C ATOM 0 H VAL A 611 7.260 -6.268 7.031 1.00 0.00 H new ATOM 0 HA VAL A 611 9.007 -7.844 8.878 1.00 0.00 H new ATOM 0 HB VAL A 611 6.843 -5.843 9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.232 -6.771 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 611 5.730 -7.798 10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.147 -8.247 11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 611 8.221 -5.396 11.396 1.00 0.00 H new ATOM 0 HG22 VAL A 611 9.294 -6.740 10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 611 9.186 -5.295 9.904 1.00 0.00 H new ATOM 1657 N THR A 612 6.475 -8.520 7.092 1.00 0.00 N ATOM 1658 CA THR A 612 5.550 -9.488 6.526 1.00 0.00 C ATOM 1659 C THR A 612 6.330 -10.751 6.149 1.00 0.00 C ATOM 1660 O THR A 612 6.069 -11.871 6.599 1.00 0.00 O ATOM 1661 CB THR A 612 4.890 -8.772 5.322 1.00 0.00 C ATOM 1662 OG1 THR A 612 5.820 -8.472 4.296 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.422 -7.383 5.764 1.00 0.00 C ATOM 0 H THR A 612 6.519 -7.672 6.528 1.00 0.00 H new ATOM 0 HA THR A 612 4.771 -9.817 7.213 1.00 0.00 H new ATOM 0 HB THR A 612 4.101 -9.439 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 612 5.809 -7.509 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.956 -6.871 4.922 1.00 0.00 H new ATOM 0 HG22 THR A 612 3.699 -7.483 6.573 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.278 -6.804 6.112 1.00 0.00 H new ATOM 1671 N HIS A 613 7.397 -10.479 5.407 1.00 0.00 N ATOM 1672 CA HIS A 613 8.389 -11.383 4.854 1.00 0.00 C ATOM 1673 C HIS A 613 9.620 -11.428 5.762 1.00 0.00 C ATOM 1674 O HIS A 613 10.654 -11.912 5.316 1.00 0.00 O ATOM 1675 CB HIS A 613 8.744 -10.924 3.416 1.00 0.00 C ATOM 1676 CG HIS A 613 8.853 -12.060 2.425 1.00 0.00 C ATOM 1677 ND1 HIS A 613 9.443 -13.294 2.646 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.270 -12.085 1.186 1.00 0.00 C ATOM 1679 CE1 HIS A 613 9.146 -14.075 1.589 1.00 0.00 C ATOM 1680 NE2 HIS A 613 8.410 -13.371 0.707 1.00 0.00 N ATOM 0 H HIS A 613 7.607 -9.514 5.153 1.00 0.00 H new ATOM 0 HA HIS A 613 7.990 -12.396 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 613 7.984 -10.223 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.690 -10.383 3.440 1.00 0.00 H new ATOM 0 HD2 HIS A 613 7.793 -11.258 0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 613 9.450 -15.104 1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 613 8.022 -13.728 -0.166 1.00 0.00 H new ATOM 1689 N GLY A 614 9.531 -10.875 6.979 1.00 0.00 N ATOM 1690 CA GLY A 614 10.618 -10.788 7.939 1.00 0.00 C ATOM 1691 C GLY A 614 11.816 -10.040 7.371 1.00 0.00 C ATOM 1692 O GLY A 614 12.923 -10.573 7.438 1.00 0.00 O ATOM 0 H GLY A 614 8.665 -10.464 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.268 -10.283 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.923 -11.792 8.234 1.00 0.00 H new ATOM 1696 N PHE A 615 11.598 -8.862 6.765 1.00 0.00 N ATOM 1697 CA PHE A 615 12.717 -8.026 6.297 1.00 0.00 C ATOM 1698 C PHE A 615 13.215 -7.129 7.451 1.00 0.00 C ATOM 1699 O PHE A 615 12.844 -7.333 8.607 1.00 0.00 O ATOM 1700 CB PHE A 615 12.289 -7.257 5.030 1.00 0.00 C ATOM 1701 CG PHE A 615 12.369 -8.013 3.710 1.00 0.00 C ATOM 1702 CD1 PHE A 615 12.342 -9.419 3.638 1.00 0.00 C ATOM 1703 CD2 PHE A 615 12.505 -7.279 2.519 1.00 0.00 C ATOM 1704 CE1 PHE A 615 12.472 -10.069 2.401 1.00 0.00 C ATOM 1705 CE2 PHE A 615 12.687 -7.922 1.286 1.00 0.00 C ATOM 1706 CZ PHE A 615 12.672 -9.322 1.227 1.00 0.00 C ATOM 0 H PHE A 615 10.673 -8.471 6.589 1.00 0.00 H new ATOM 0 HA PHE A 615 13.571 -8.638 6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.261 -6.920 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 615 12.909 -6.364 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 615 12.221 -10.001 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.469 -6.200 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 615 12.418 -11.146 2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 615 12.838 -7.342 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 615 12.814 -9.826 0.282 1.00 0.00 H new ATOM 1716 N ASN A 616 14.070 -6.142 7.159 1.00 0.00 N ATOM 1717 CA ASN A 616 14.422 -5.042 8.065 1.00 0.00 C ATOM 1718 C ASN A 616 14.019 -3.738 7.379 1.00 0.00 C ATOM 1719 O ASN A 616 13.869 -3.736 6.156 1.00 0.00 O ATOM 1720 CB ASN A 616 15.942 -5.016 8.354 1.00 0.00 C ATOM 1721 CG ASN A 616 16.501 -6.288 8.991 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.807 -7.014 9.692 1.00 0.00 O ATOM 1723 ND2 ASN A 616 17.770 -6.593 8.780 1.00 0.00 N ATOM 0 H ASN A 616 14.550 -6.085 6.261 1.00 0.00 H new ATOM 0 HA ASN A 616 13.905 -5.173 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.471 -4.833 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.157 -4.174 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 616 18.170 -7.432 9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 616 18.349 -5.989 8.196 1.00 0.00 H new ATOM 1730 N LEU A 617 13.926 -2.605 8.099 1.00 0.00 N ATOM 1731 CA LEU A 617 13.677 -1.298 7.454 1.00 0.00 C ATOM 1732 C LEU A 617 14.786 -1.010 6.445 1.00 0.00 C ATOM 1733 O LEU A 617 14.535 -0.388 5.418 1.00 0.00 O ATOM 1734 CB LEU A 617 13.577 -0.124 8.455 1.00 0.00 C ATOM 1735 CG LEU A 617 13.052 1.210 7.847 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.555 1.205 7.517 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.286 2.385 8.809 1.00 0.00 C ATOM 0 H LEU A 617 14.018 -2.565 9.114 1.00 0.00 H new ATOM 0 HA LEU A 617 12.708 -1.373 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 617 12.919 -0.418 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.563 0.053 8.886 1.00 0.00 H new ATOM 0 HG LEU A 617 13.615 1.320 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.271 2.171 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.345 0.419 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 617 10.983 1.022 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 617 12.910 3.304 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 617 12.761 2.198 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.353 2.487 9.005 1.00 0.00 H new ATOM 1749 N GLU A 618 15.995 -1.494 6.719 1.00 0.00 N ATOM 1750 CA GLU A 618 17.082 -1.492 5.754 1.00 0.00 C ATOM 1751 C GLU A 618 16.656 -2.248 4.491 1.00 0.00 C ATOM 1752 O GLU A 618 16.388 -1.615 3.474 1.00 0.00 O ATOM 1753 CB GLU A 618 18.375 -2.035 6.378 1.00 0.00 C ATOM 1754 CG GLU A 618 19.477 -2.034 5.310 1.00 0.00 C ATOM 1755 CD GLU A 618 20.888 -2.253 5.845 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.062 -3.047 6.799 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.803 -1.664 5.236 1.00 0.00 O ATOM 0 H GLU A 618 16.245 -1.899 7.621 1.00 0.00 H new ATOM 0 HA GLU A 618 17.304 -0.467 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.672 -1.420 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.217 -3.045 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.256 -2.812 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 618 19.449 -1.082 4.780 1.00 0.00 H new ATOM 1764 N GLU A 619 16.587 -3.582 4.530 1.00 0.00 N ATOM 1765 CA GLU A 619 16.404 -4.410 3.333 1.00 0.00 C ATOM 1766 C GLU A 619 15.131 -4.065 2.575 1.00 0.00 C ATOM 1767 O GLU A 619 15.074 -4.214 1.358 1.00 0.00 O ATOM 1768 CB GLU A 619 16.259 -5.885 3.715 1.00 0.00 C ATOM 1769 CG GLU A 619 17.527 -6.419 4.378 1.00 0.00 C ATOM 1770 CD GLU A 619 17.465 -7.938 4.417 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.482 -8.573 3.337 1.00 0.00 O ATOM 1772 OE2 GLU A 619 17.304 -8.500 5.519 1.00 0.00 O ATOM 0 H GLU A 619 16.657 -4.120 5.394 1.00 0.00 H new ATOM 0 HA GLU A 619 17.282 -4.222 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.414 -6.005 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.038 -6.473 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.407 -6.093 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.620 -6.020 5.388 1.00 0.00 H new ATOM 1779 N ALA A 620 14.098 -3.641 3.294 1.00 0.00 N ATOM 1780 CA ALA A 620 12.816 -3.284 2.740 1.00 0.00 C ATOM 1781 C ALA A 620 12.937 -2.042 1.858 1.00 0.00 C ATOM 1782 O ALA A 620 12.432 -2.054 0.734 1.00 0.00 O ATOM 1783 CB ALA A 620 11.857 -3.115 3.916 1.00 0.00 C ATOM 0 H ALA A 620 14.140 -3.536 4.308 1.00 0.00 H new ATOM 0 HA ALA A 620 12.426 -4.058 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 620 10.869 -2.843 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.791 -4.052 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.225 -2.329 4.576 1.00 0.00 H new ATOM 1789 N ALA A 621 13.626 -1.003 2.344 1.00 0.00 N ATOM 1790 CA ALA A 621 14.062 0.145 1.568 1.00 0.00 C ATOM 1791 C ALA A 621 15.035 -0.289 0.459 1.00 0.00 C ATOM 1792 O ALA A 621 14.893 0.182 -0.663 1.00 0.00 O ATOM 1793 CB ALA A 621 14.736 1.151 2.505 1.00 0.00 C ATOM 0 H ALA A 621 13.901 -0.944 3.324 1.00 0.00 H new ATOM 0 HA ALA A 621 13.198 0.610 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.067 2.017 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.026 1.471 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.596 0.683 2.984 1.00 0.00 H new ATOM 1799 N ARG A 622 16.013 -1.173 0.714 1.00 0.00 N ATOM 1800 CA ARG A 622 16.941 -1.662 -0.309 1.00 0.00 C ATOM 1801 C ARG A 622 16.189 -2.299 -1.480 1.00 0.00 C ATOM 1802 O ARG A 622 16.475 -1.961 -2.628 1.00 0.00 O ATOM 1803 CB ARG A 622 17.982 -2.617 0.297 1.00 0.00 C ATOM 1804 CG ARG A 622 18.740 -1.998 1.493 1.00 0.00 C ATOM 1805 CD ARG A 622 20.240 -2.206 1.376 1.00 0.00 C ATOM 1806 NE ARG A 622 20.986 -1.432 2.390 1.00 0.00 N ATOM 1807 CZ ARG A 622 21.366 -0.147 2.344 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.409 0.539 1.208 1.00 0.00 N ATOM 1809 NH2 ARG A 622 21.680 0.451 3.480 1.00 0.00 N ATOM 0 H ARG A 622 16.180 -1.568 1.640 1.00 0.00 H new ATOM 0 HA ARG A 622 17.485 -0.806 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.484 -3.530 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.699 -2.902 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 622 18.524 -0.931 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.382 -2.444 2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 622 20.469 -3.266 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 622 20.570 -1.912 0.380 1.00 0.00 H new ATOM 0 HE ARG A 622 21.246 -1.942 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 622 21.148 0.089 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 622 21.703 1.516 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 622 21.630 -0.065 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 622 21.973 1.428 3.478 1.00 0.00 H new ATOM 1823 N CYS A 623 15.205 -3.158 -1.212 1.00 0.00 N ATOM 1824 CA CYS A 623 14.319 -3.711 -2.226 1.00 0.00 C ATOM 1825 C CYS A 623 13.627 -2.563 -2.970 1.00 0.00 C ATOM 1826 O CYS A 623 13.630 -2.516 -4.197 1.00 0.00 O ATOM 1827 CB CYS A 623 13.304 -4.684 -1.582 1.00 0.00 C ATOM 1828 SG CYS A 623 13.499 -6.333 -2.313 1.00 0.00 S ATOM 0 H CYS A 623 15.002 -3.491 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 623 14.895 -4.287 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.463 -4.731 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.288 -4.323 -1.739 1.00 0.00 H new ATOM 0 HG CYS A 623 12.338 -6.782 -2.687 1.00 0.00 H new ATOM 1834 N MET A 624 13.070 -1.604 -2.236 1.00 0.00 N ATOM 1835 CA MET A 624 12.349 -0.471 -2.800 1.00 0.00 C ATOM 1836 C MET A 624 13.190 0.424 -3.708 1.00 0.00 C ATOM 1837 O MET A 624 12.674 0.879 -4.728 1.00 0.00 O ATOM 1838 CB MET A 624 11.734 0.327 -1.653 1.00 0.00 C ATOM 1839 CG MET A 624 10.366 -0.271 -1.368 1.00 0.00 C ATOM 1840 SD MET A 624 9.179 0.331 -2.586 1.00 0.00 S ATOM 1841 CE MET A 624 8.694 1.774 -1.631 1.00 0.00 C ATOM 0 H MET A 624 13.108 -1.594 -1.217 1.00 0.00 H new ATOM 0 HA MET A 624 11.575 -0.870 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.367 0.277 -0.767 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.645 1.380 -1.922 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.419 -1.359 -1.403 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.041 0.000 -0.363 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.941 2.338 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 624 8.281 1.455 -0.674 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.566 2.405 -1.457 1.00 0.00 H new ATOM 1851 N ARG A 625 14.472 0.655 -3.405 1.00 0.00 N ATOM 1852 CA ARG A 625 15.405 1.356 -4.296 1.00 0.00 C ATOM 1853 C ARG A 625 15.503 0.679 -5.666 1.00 0.00 C ATOM 1854 O ARG A 625 15.917 1.325 -6.625 1.00 0.00 O ATOM 1855 CB ARG A 625 16.803 1.436 -3.668 1.00 0.00 C ATOM 1856 CG ARG A 625 16.838 2.329 -2.421 1.00 0.00 C ATOM 1857 CD ARG A 625 18.112 2.108 -1.604 1.00 0.00 C ATOM 1858 NE ARG A 625 19.277 2.802 -2.171 1.00 0.00 N ATOM 1859 CZ ARG A 625 20.176 2.315 -3.033 1.00 0.00 C ATOM 1860 NH1 ARG A 625 20.160 1.051 -3.439 1.00 0.00 N ATOM 1861 NH2 ARG A 625 21.111 3.112 -3.511 1.00 0.00 N ATOM 0 H ARG A 625 14.896 0.358 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 625 15.011 2.363 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.136 0.433 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.507 1.820 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.774 3.375 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.967 2.122 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.949 2.455 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.322 1.040 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 625 19.416 3.767 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 625 19.444 0.413 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 625 20.864 0.718 -4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 625 21.144 4.090 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 625 21.802 2.751 -4.169 1.00 0.00 H new ATOM 1875 N SER A 626 15.187 -0.613 -5.768 1.00 0.00 N ATOM 1876 CA SER A 626 15.226 -1.360 -7.014 1.00 0.00 C ATOM 1877 C SER A 626 13.994 -1.071 -7.885 1.00 0.00 C ATOM 1878 O SER A 626 14.094 -1.154 -9.106 1.00 0.00 O ATOM 1879 CB SER A 626 15.339 -2.857 -6.675 1.00 0.00 C ATOM 1880 OG SER A 626 16.295 -3.491 -7.488 1.00 0.00 O ATOM 0 H SER A 626 14.892 -1.174 -4.969 1.00 0.00 H new ATOM 0 HA SER A 626 16.092 -1.050 -7.599 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.613 -2.976 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.369 -3.337 -6.807 1.00 0.00 H new ATOM 0 HG SER A 626 16.348 -4.440 -7.251 1.00 0.00 H new ATOM 1886 N LEU A 627 12.837 -0.731 -7.298 1.00 0.00 N ATOM 1887 CA LEU A 627 11.583 -0.534 -8.032 1.00 0.00 C ATOM 1888 C LEU A 627 11.750 0.569 -9.078 1.00 0.00 C ATOM 1889 O LEU A 627 12.344 1.615 -8.806 1.00 0.00 O ATOM 1890 CB LEU A 627 10.460 -0.193 -7.037 1.00 0.00 C ATOM 1891 CG LEU A 627 9.075 0.042 -7.676 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.370 -1.267 -8.044 1.00 0.00 C ATOM 1893 CD2 LEU A 627 8.179 0.806 -6.699 1.00 0.00 C ATOM 0 H LEU A 627 12.747 -0.584 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 627 11.317 -1.451 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.377 -1.004 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.745 0.701 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 627 9.242 0.613 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.400 -1.045 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.980 -1.820 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 627 8.228 -1.868 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.202 0.970 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 627 8.061 0.226 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.635 1.767 -6.463 1.00 0.00 H new ATOM 1905 N LYS A 628 11.211 0.337 -10.275 1.00 0.00 N ATOM 1906 CA LYS A 628 11.486 1.120 -11.479 1.00 0.00 C ATOM 1907 C LYS A 628 10.325 2.035 -11.860 1.00 0.00 C ATOM 1908 O LYS A 628 10.351 2.628 -12.940 1.00 0.00 O ATOM 1909 CB LYS A 628 11.857 0.135 -12.610 1.00 0.00 C ATOM 1910 CG LYS A 628 13.033 -0.815 -12.297 1.00 0.00 C ATOM 1911 CD LYS A 628 14.442 -0.207 -12.426 1.00 0.00 C ATOM 1912 CE LYS A 628 14.722 0.941 -11.448 1.00 0.00 C ATOM 1913 NZ LYS A 628 14.699 2.278 -12.096 1.00 0.00 N ATOM 0 H LYS A 628 10.551 -0.424 -10.438 1.00 0.00 H new ATOM 0 HA LYS A 628 12.321 1.796 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.979 -0.466 -12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 628 12.103 0.709 -13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.912 -1.189 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.967 -1.675 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 628 15.181 -0.993 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 628 14.577 0.157 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.981 0.918 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 628 15.696 0.786 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 14.708 3.018 -11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 15.535 2.383 -12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 13.838 2.370 -12.671 1.00 0.00 H new ATOM 1927 N ALA A 629 9.321 2.150 -10.994 1.00 0.00 N ATOM 1928 CA ALA A 629 8.057 2.827 -11.219 1.00 0.00 C ATOM 1929 C ALA A 629 7.650 3.578 -9.929 1.00 0.00 C ATOM 1930 O ALA A 629 8.289 3.368 -8.888 1.00 0.00 O ATOM 1931 CB ALA A 629 7.074 1.744 -11.675 1.00 0.00 C ATOM 0 H ALA A 629 9.377 1.746 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 629 8.095 3.595 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 629 6.099 2.193 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 629 7.442 1.281 -12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.982 0.986 -10.897 1.00 0.00 H new ATOM 1937 N PRO A 630 6.659 4.494 -9.974 1.00 0.00 N ATOM 1938 CA PRO A 630 6.394 5.433 -8.884 1.00 0.00 C ATOM 1939 C PRO A 630 5.940 4.755 -7.597 1.00 0.00 C ATOM 1940 O PRO A 630 5.243 3.740 -7.636 1.00 0.00 O ATOM 1941 CB PRO A 630 5.315 6.407 -9.374 1.00 0.00 C ATOM 1942 CG PRO A 630 5.020 6.032 -10.826 1.00 0.00 C ATOM 1943 CD PRO A 630 5.754 4.721 -11.090 1.00 0.00 C ATOM 0 HA PRO A 630 7.323 5.945 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.416 6.329 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 630 5.661 7.438 -9.302 1.00 0.00 H new ATOM 0 HG2 PRO A 630 3.948 5.916 -10.987 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.362 6.812 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.046 3.897 -11.183 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.307 4.773 -12.028 1.00 0.00 H new ATOM 1951 N ALA A 631 6.291 5.354 -6.454 1.00 0.00 N ATOM 1952 CA ALA A 631 5.921 4.849 -5.141 1.00 0.00 C ATOM 1953 C ALA A 631 6.049 5.927 -4.061 1.00 0.00 C ATOM 1954 O ALA A 631 7.167 6.324 -3.714 1.00 0.00 O ATOM 1955 CB ALA A 631 6.831 3.664 -4.801 1.00 0.00 C ATOM 0 H ALA A 631 6.845 6.210 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 631 4.877 4.538 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 631 6.567 3.273 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.704 2.882 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.870 3.994 -4.793 1.00 0.00 H new ATOM 1961 N VAL A 632 4.931 6.394 -3.509 1.00 0.00 N ATOM 1962 CA VAL A 632 4.897 7.124 -2.233 1.00 0.00 C ATOM 1963 C VAL A 632 5.235 6.116 -1.113 1.00 0.00 C ATOM 1964 O VAL A 632 5.034 4.912 -1.298 1.00 0.00 O ATOM 1965 CB VAL A 632 3.492 7.754 -2.083 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.274 8.633 -0.841 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.167 8.671 -3.268 1.00 0.00 C ATOM 0 H VAL A 632 4.012 6.278 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 632 5.624 7.934 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 632 2.853 6.874 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.255 9.019 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.435 8.039 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.977 9.466 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.174 9.099 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.904 9.473 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.192 8.094 -4.192 1.00 0.00 H new ATOM 1977 N VAL A 633 5.749 6.548 0.043 1.00 0.00 N ATOM 1978 CA VAL A 633 6.037 5.637 1.159 1.00 0.00 C ATOM 1979 C VAL A 633 5.513 6.235 2.461 1.00 0.00 C ATOM 1980 O VAL A 633 5.542 7.448 2.632 1.00 0.00 O ATOM 1981 CB VAL A 633 7.532 5.264 1.207 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.791 4.189 2.279 1.00 0.00 C ATOM 1983 CG2 VAL A 633 8.009 4.704 -0.138 1.00 0.00 C ATOM 0 H VAL A 633 5.975 7.525 0.232 1.00 0.00 H new ATOM 0 HA VAL A 633 5.511 4.695 1.006 1.00 0.00 H new ATOM 0 HB VAL A 633 8.078 6.178 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.852 3.940 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.492 4.570 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.213 3.295 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.067 4.450 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.436 3.810 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.863 5.453 -0.916 1.00 0.00 H new ATOM 1993 N SER A 634 5.058 5.401 3.397 1.00 0.00 N ATOM 1994 CA SER A 634 4.699 5.817 4.743 1.00 0.00 C ATOM 1995 C SER A 634 5.190 4.755 5.717 1.00 0.00 C ATOM 1996 O SER A 634 5.349 3.592 5.343 1.00 0.00 O ATOM 1997 CB SER A 634 3.181 6.036 4.783 1.00 0.00 C ATOM 1998 OG SER A 634 2.582 5.933 6.065 1.00 0.00 O ATOM 0 H SER A 634 4.928 4.403 3.233 1.00 0.00 H new ATOM 0 HA SER A 634 5.168 6.757 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.963 7.024 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.709 5.309 4.121 1.00 0.00 H new ATOM 0 HG SER A 634 1.618 6.089 5.989 1.00 0.00 H new ATOM 2004 N VAL A 635 5.378 5.162 6.968 1.00 0.00 N ATOM 2005 CA VAL A 635 5.830 4.335 8.080 1.00 0.00 C ATOM 2006 C VAL A 635 4.990 4.703 9.308 1.00 0.00 C ATOM 2007 O VAL A 635 4.370 5.770 9.324 1.00 0.00 O ATOM 2008 CB VAL A 635 7.336 4.571 8.319 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.210 3.755 7.361 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.726 6.048 8.175 1.00 0.00 C ATOM 0 H VAL A 635 5.210 6.128 7.248 1.00 0.00 H new ATOM 0 HA VAL A 635 5.700 3.274 7.867 1.00 0.00 H new ATOM 0 HB VAL A 635 7.514 4.246 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.261 3.955 7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.008 2.693 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 635 7.983 4.036 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.795 6.161 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.487 6.391 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.173 6.643 8.902 1.00 0.00 H new ATOM 2020 N SER A 636 4.953 3.857 10.338 1.00 0.00 N ATOM 2021 CA SER A 636 4.163 4.108 11.544 1.00 0.00 C ATOM 2022 C SER A 636 4.811 5.170 12.448 1.00 0.00 C ATOM 2023 O SER A 636 4.128 5.672 13.352 1.00 0.00 O ATOM 2024 CB SER A 636 3.947 2.795 12.318 1.00 0.00 C ATOM 2025 OG SER A 636 2.581 2.554 12.621 1.00 0.00 O ATOM 0 H SER A 636 5.470 2.978 10.360 1.00 0.00 H new ATOM 0 HA SER A 636 3.196 4.501 11.230 1.00 0.00 H new ATOM 0 HB2 SER A 636 4.336 1.964 11.730 1.00 0.00 H new ATOM 0 HB3 SER A 636 4.520 2.826 13.245 1.00 0.00 H new ATOM 0 HG SER A 636 2.499 1.709 13.110 1.00 0.00 H new ATOM 2031 N SER A 637 6.084 5.531 12.227 1.00 0.00 N ATOM 2032 CA SER A 637 6.816 6.463 13.084 1.00 0.00 C ATOM 2033 C SER A 637 7.476 7.581 12.270 1.00 0.00 C ATOM 2034 O SER A 637 7.948 7.333 11.159 1.00 0.00 O ATOM 2035 CB SER A 637 7.871 5.724 13.924 1.00 0.00 C ATOM 2036 OG SER A 637 8.469 4.627 13.249 1.00 0.00 O ATOM 0 H SER A 637 6.634 5.180 11.443 1.00 0.00 H new ATOM 0 HA SER A 637 6.090 6.920 13.756 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.650 6.429 14.216 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.406 5.365 14.842 1.00 0.00 H new ATOM 0 HG SER A 637 9.130 4.203 13.836 1.00 0.00 H new ATOM 2042 N PRO A 638 7.600 8.798 12.828 1.00 0.00 N ATOM 2043 CA PRO A 638 8.244 9.910 12.147 1.00 0.00 C ATOM 2044 C PRO A 638 9.748 9.663 11.993 1.00 0.00 C ATOM 2045 O PRO A 638 10.305 9.955 10.938 1.00 0.00 O ATOM 2046 CB PRO A 638 7.931 11.142 12.999 1.00 0.00 C ATOM 2047 CG PRO A 638 7.734 10.578 14.406 1.00 0.00 C ATOM 2048 CD PRO A 638 7.137 9.198 14.148 1.00 0.00 C ATOM 0 HA PRO A 638 7.876 10.043 11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.746 11.865 12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 638 7.036 11.655 12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.677 10.514 14.950 1.00 0.00 H new ATOM 0 HG3 PRO A 638 7.065 11.201 15.000 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.460 8.485 14.907 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.048 9.231 14.185 1.00 0.00 H new ATOM 2056 N ASP A 639 10.409 9.075 12.994 1.00 0.00 N ATOM 2057 CA ASP A 639 11.847 8.790 12.954 1.00 0.00 C ATOM 2058 C ASP A 639 12.194 7.695 11.947 1.00 0.00 C ATOM 2059 O ASP A 639 13.342 7.571 11.509 1.00 0.00 O ATOM 2060 CB ASP A 639 12.340 8.390 14.348 1.00 0.00 C ATOM 2061 CG ASP A 639 12.719 9.625 15.146 1.00 0.00 C ATOM 2062 OD1 ASP A 639 13.754 10.243 14.828 1.00 0.00 O ATOM 2063 OD2 ASP A 639 11.956 10.026 16.058 1.00 0.00 O ATOM 0 H ASP A 639 9.959 8.781 13.861 1.00 0.00 H new ATOM 0 HA ASP A 639 12.349 9.702 12.630 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.561 7.835 14.871 1.00 0.00 H new ATOM 0 HB3 ASP A 639 13.200 7.727 14.261 1.00 0.00 H new ATOM 2068 N ALA A 640 11.197 6.918 11.532 1.00 0.00 N ATOM 2069 CA ALA A 640 11.370 5.932 10.489 1.00 0.00 C ATOM 2070 C ALA A 640 11.363 6.621 9.129 1.00 0.00 C ATOM 2071 O ALA A 640 12.050 6.128 8.251 1.00 0.00 O ATOM 2072 CB ALA A 640 10.322 4.823 10.590 1.00 0.00 C ATOM 0 H ALA A 640 10.252 6.960 11.913 1.00 0.00 H new ATOM 0 HA ALA A 640 12.337 5.444 10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.481 4.099 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.412 4.324 11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.325 5.254 10.496 1.00 0.00 H new ATOM 2078 N VAL A 641 10.696 7.770 8.942 1.00 0.00 N ATOM 2079 CA VAL A 641 10.790 8.531 7.694 1.00 0.00 C ATOM 2080 C VAL A 641 12.250 8.943 7.489 1.00 0.00 C ATOM 2081 O VAL A 641 12.792 8.769 6.399 1.00 0.00 O ATOM 2082 CB VAL A 641 9.854 9.760 7.724 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.982 10.620 6.460 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.378 9.386 7.913 1.00 0.00 C ATOM 0 H VAL A 641 10.085 8.190 9.643 1.00 0.00 H new ATOM 0 HA VAL A 641 10.468 7.912 6.857 1.00 0.00 H new ATOM 0 HB VAL A 641 10.182 10.335 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.304 11.471 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 641 11.007 10.979 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.726 10.022 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.772 10.292 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.057 8.746 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.255 8.854 8.856 1.00 0.00 H new ATOM 2094 N THR A 642 12.890 9.448 8.546 1.00 0.00 N ATOM 2095 CA THR A 642 14.265 9.896 8.574 1.00 0.00 C ATOM 2096 C THR A 642 15.171 8.717 8.225 1.00 0.00 C ATOM 2097 O THR A 642 16.096 8.838 7.419 1.00 0.00 O ATOM 2098 CB THR A 642 14.523 10.409 10.004 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.640 11.468 10.335 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.965 10.867 10.213 1.00 0.00 C ATOM 0 H THR A 642 12.429 9.557 9.449 1.00 0.00 H new ATOM 0 HA THR A 642 14.466 10.689 7.854 1.00 0.00 H new ATOM 0 HB THR A 642 14.340 9.562 10.666 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.824 11.774 11.248 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.090 11.218 11.237 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.642 10.032 10.030 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.193 11.678 9.521 1.00 0.00 H new ATOM 2108 N THR A 643 14.920 7.573 8.858 1.00 0.00 N ATOM 2109 CA THR A 643 15.802 6.433 8.738 1.00 0.00 C ATOM 2110 C THR A 643 15.631 5.754 7.368 1.00 0.00 C ATOM 2111 O THR A 643 16.606 5.317 6.764 1.00 0.00 O ATOM 2112 CB THR A 643 15.577 5.504 9.941 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.678 6.265 11.136 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.618 4.387 10.021 1.00 0.00 C ATOM 0 H THR A 643 14.110 7.419 9.458 1.00 0.00 H new ATOM 0 HA THR A 643 16.846 6.743 8.768 1.00 0.00 H new ATOM 0 HB THR A 643 14.591 5.054 9.820 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.839 6.748 11.288 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.413 3.760 10.889 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.572 3.781 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.613 4.823 10.115 1.00 0.00 H new ATOM 2122 N TYR A 644 14.408 5.730 6.838 1.00 0.00 N ATOM 2123 CA TYR A 644 14.067 5.210 5.528 1.00 0.00 C ATOM 2124 C TYR A 644 14.803 5.993 4.440 1.00 0.00 C ATOM 2125 O TYR A 644 15.547 5.405 3.653 1.00 0.00 O ATOM 2126 CB TYR A 644 12.542 5.270 5.383 1.00 0.00 C ATOM 2127 CG TYR A 644 12.043 4.601 4.140 1.00 0.00 C ATOM 2128 CD1 TYR A 644 11.909 5.298 2.928 1.00 0.00 C ATOM 2129 CD2 TYR A 644 11.739 3.240 4.211 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.523 4.602 1.771 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.369 2.540 3.065 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.305 3.206 1.822 1.00 0.00 C ATOM 2133 OH TYR A 644 11.018 2.504 0.695 1.00 0.00 O ATOM 0 H TYR A 644 13.596 6.091 7.339 1.00 0.00 H new ATOM 0 HA TYR A 644 14.384 4.173 5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.082 4.799 6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.224 6.313 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.101 6.360 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 644 11.791 2.727 5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.392 5.134 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.131 1.488 3.127 1.00 0.00 H new ATOM 0 HH TYR A 644 10.901 1.557 0.920 1.00 0.00 H new ATOM 2143 N ASN A 645 14.671 7.327 4.459 1.00 0.00 N ATOM 2144 CA ASN A 645 15.439 8.246 3.618 1.00 0.00 C ATOM 2145 C ASN A 645 16.939 7.965 3.724 1.00 0.00 C ATOM 2146 O ASN A 645 17.680 8.072 2.747 1.00 0.00 O ATOM 2147 CB ASN A 645 15.192 9.683 4.101 1.00 0.00 C ATOM 2148 CG ASN A 645 14.917 10.615 2.944 1.00 0.00 C ATOM 2149 OD1 ASN A 645 15.812 10.971 2.177 1.00 0.00 O ATOM 2150 ND2 ASN A 645 13.667 11.018 2.814 1.00 0.00 N ATOM 0 H ASN A 645 14.012 7.804 5.074 1.00 0.00 H new ATOM 0 HA ASN A 645 15.121 8.112 2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.347 9.697 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 645 16.061 10.036 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 645 13.411 11.649 2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.957 10.698 3.473 1.00 0.00 H new ATOM 2157 N GLY A 646 17.382 7.622 4.935 1.00 0.00 N ATOM 2158 CA GLY A 646 18.722 7.190 5.266 1.00 0.00 C ATOM 2159 C GLY A 646 19.197 6.106 4.311 1.00 0.00 C ATOM 2160 O GLY A 646 20.181 6.316 3.605 1.00 0.00 O ATOM 0 H GLY A 646 16.772 7.643 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.403 8.040 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.744 6.814 6.289 1.00 0.00 H new ATOM 2164 N TYR A 647 18.516 4.964 4.232 1.00 0.00 N ATOM 2165 CA TYR A 647 18.949 3.885 3.340 1.00 0.00 C ATOM 2166 C TYR A 647 18.806 4.290 1.869 1.00 0.00 C ATOM 2167 O TYR A 647 19.585 3.845 1.026 1.00 0.00 O ATOM 2168 CB TYR A 647 18.151 2.605 3.609 1.00 0.00 C ATOM 2169 CG TYR A 647 18.050 2.208 5.069 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.203 1.884 5.813 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.788 2.172 5.687 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.094 1.509 7.165 1.00 0.00 C ATOM 2173 CE2 TYR A 647 16.676 1.802 7.034 1.00 0.00 C ATOM 2174 CZ TYR A 647 17.823 1.453 7.778 1.00 0.00 C ATOM 2175 OH TYR A 647 17.693 1.049 9.073 1.00 0.00 O ATOM 0 H TYR A 647 17.672 4.761 4.767 1.00 0.00 H new ATOM 0 HA TYR A 647 20.003 3.694 3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.144 2.732 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.610 1.786 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.175 1.924 5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 647 15.904 2.430 5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 647 19.980 1.265 7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 647 15.705 1.784 7.506 1.00 0.00 H new ATOM 0 HH TYR A 647 16.748 1.073 9.330 1.00 0.00 H new ATOM 2185 N LEU A 648 17.837 5.151 1.538 1.00 0.00 N ATOM 2186 CA LEU A 648 17.600 5.579 0.157 1.00 0.00 C ATOM 2187 C LEU A 648 18.746 6.424 -0.384 1.00 0.00 C ATOM 2188 O LEU A 648 18.909 6.500 -1.602 1.00 0.00 O ATOM 2189 CB LEU A 648 16.326 6.417 0.027 1.00 0.00 C ATOM 2190 CG LEU A 648 14.983 5.745 0.351 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.981 6.056 -0.759 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.992 4.223 0.505 1.00 0.00 C ATOM 0 H LEU A 648 17.199 5.568 2.216 1.00 0.00 H new ATOM 0 HA LEU A 648 17.507 4.656 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.430 7.285 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.275 6.789 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 648 14.722 6.157 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.027 5.580 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.841 7.135 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.359 5.675 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 648 13.985 3.874 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.334 3.765 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.664 3.943 1.316 1.00 0.00 H new ATOM 2204 N THR A 649 19.508 7.052 0.507 1.00 0.00 N ATOM 2205 CA THR A 649 20.665 7.861 0.158 1.00 0.00 C ATOM 2206 C THR A 649 21.970 7.127 0.494 1.00 0.00 C ATOM 2207 O THR A 649 22.975 7.356 -0.174 1.00 0.00 O ATOM 2208 CB THR A 649 20.498 9.268 0.763 1.00 0.00 C ATOM 2209 OG1 THR A 649 21.045 10.240 -0.098 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.089 9.428 2.162 1.00 0.00 C ATOM 0 H THR A 649 19.332 7.010 1.511 1.00 0.00 H new ATOM 0 HA THR A 649 20.733 8.014 -0.919 1.00 0.00 H new ATOM 0 HB THR A 649 19.423 9.412 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 649 20.931 11.129 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.927 10.448 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 649 20.604 8.730 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 649 22.159 9.221 2.131 1.00 0.00 H new