USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=38 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 -164:sc= -0.499 (180deg=-1.14) USER MOD Set 1.2: A 644 TYR OH : rot 70:sc= -0.0204 USER MOD Set 2.1: A 557 MET CE :methyl 141:sc= -0.632 (180deg=-1.78) USER MOD Set 2.2: A 561 GLN : amide:sc= -3.05! C(o=-3.7!,f=-4.9!) USER MOD Set 3.1: A 550 CYS SG : rot 68:sc= 0.447 USER MOD Set 3.2: A 612 THR OG1 : rot 54:sc= 1.24 USER MOD Set 4.1: A 547 MET CE :methyl -162:sc= -0.0341 (180deg=-0.514) USER MOD Set 4.2: A 605 THR OG1 : rot 150:sc= 0.0407 USER MOD Set 5.1: A 539 HIS : no HE2:sc= -0.71 K(o=0.47,f=-3.3!) USER MOD Set 5.2: A 543 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 528 THR OG1 : rot -132:sc= 0.0713 USER MOD Single : A 530 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 532 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 536 MET CE :methyl 167:sc= -2.72 (180deg=-3.21) USER MOD Single : A 545 LYS NZ :NH3+ 143:sc= -0.0911 (180deg=-1.98!) USER MOD Single : A 551 MET CE :methyl 169:sc= -0.132 (180deg=-0.406) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ -104:sc= -0.245 (180deg=-0.984) USER MOD Single : A 564 TYR OH : rot 110:sc=-0.00559 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -2.96 F(o=-6.2!,f=-3) USER MOD Single : A 576 TYR OH : rot -142:sc= 0.829 USER MOD Single : A 583 TYR OH : rot 180:sc= -0.0495 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.496 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= -0.0767 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.874) USER MOD Single : A 597 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 606 MET CE :methyl -171:sc= -0.0217 (180deg=-0.224) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HE2:sc= 0.89 K(o=0.89,f=-3.6!) USER MOD Single : A 616 ASN : amide:sc= 0.162 X(o=0.16,f=0) USER MOD Single : A 623 CYS SG : rot 140:sc=-0.000777 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 SER OG : rot 108:sc= 1.22 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 79:sc= 0.616 USER MOD Single : A 645 ASN : amide:sc= 0.655 K(o=0.65,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 -0.251 15.750 -6.560 1.00 0.00 N ATOM 215 CA GLU A 524 0.114 14.518 -5.902 1.00 0.00 C ATOM 216 C GLU A 524 1.416 14.699 -5.161 1.00 0.00 C ATOM 217 O GLU A 524 2.245 15.558 -5.481 1.00 0.00 O ATOM 218 CB GLU A 524 0.136 13.317 -6.871 1.00 0.00 C ATOM 219 CG GLU A 524 1.454 13.059 -7.633 1.00 0.00 C ATOM 220 CD GLU A 524 1.422 13.444 -9.111 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.740 12.731 -9.891 1.00 0.00 O ATOM 222 OE2 GLU A 524 2.170 14.370 -9.482 1.00 0.00 O ATOM 0 HA GLU A 524 -0.657 14.277 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -0.110 12.419 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.658 13.458 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 524 2.255 13.614 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 524 1.703 12.001 -7.552 1.00 0.00 H new ATOM 229 N ILE A 525 1.591 13.780 -4.226 1.00 0.00 N ATOM 230 CA ILE A 525 2.761 13.633 -3.414 1.00 0.00 C ATOM 231 C ILE A 525 3.427 12.333 -3.876 1.00 0.00 C ATOM 232 O ILE A 525 2.792 11.456 -4.496 1.00 0.00 O ATOM 233 CB ILE A 525 2.408 13.643 -1.910 1.00 0.00 C ATOM 234 CG1 ILE A 525 1.215 14.570 -1.599 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.595 14.113 -1.050 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.143 13.879 -1.742 1.00 0.00 C ATOM 0 H ILE A 525 0.876 13.085 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 525 3.451 14.468 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 525 2.149 12.613 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 525 1.315 14.951 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 525 1.249 15.431 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 525 3.308 14.106 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 525 4.441 13.442 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.878 15.124 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.938 14.587 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.264 13.522 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -0.196 13.035 -1.054 1.00 0.00 H new ATOM 248 N LEU A 526 4.697 12.220 -3.528 1.00 0.00 N ATOM 249 CA LEU A 526 5.610 11.114 -3.773 1.00 0.00 C ATOM 250 C LEU A 526 6.428 10.941 -2.490 1.00 0.00 C ATOM 251 O LEU A 526 6.128 11.565 -1.476 1.00 0.00 O ATOM 252 CB LEU A 526 6.490 11.409 -5.011 1.00 0.00 C ATOM 253 CG LEU A 526 6.372 10.388 -6.158 1.00 0.00 C ATOM 254 CD1 LEU A 526 6.861 9.004 -5.725 1.00 0.00 C ATOM 255 CD2 LEU A 526 4.950 10.290 -6.723 1.00 0.00 C ATOM 0 H LEU A 526 5.160 12.972 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 526 5.084 10.187 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 526 6.229 12.395 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.532 11.456 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 526 7.015 10.758 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 526 6.764 8.307 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 526 7.906 9.066 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 526 6.261 8.652 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 526 4.928 9.555 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 526 4.265 9.983 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.645 11.262 -7.110 1.00 0.00 H new ATOM 267 N GLY A 527 7.461 10.106 -2.520 1.00 0.00 N ATOM 268 CA GLY A 527 8.400 10.011 -1.413 1.00 0.00 C ATOM 269 C GLY A 527 7.798 9.365 -0.168 1.00 0.00 C ATOM 270 O GLY A 527 6.824 8.608 -0.235 1.00 0.00 O ATOM 0 H GLY A 527 7.668 9.485 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.268 9.434 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.756 11.010 -1.160 1.00 0.00 H new ATOM 274 N THR A 528 8.446 9.597 0.968 1.00 0.00 N ATOM 275 CA THR A 528 8.206 8.891 2.213 1.00 0.00 C ATOM 276 C THR A 528 7.430 9.836 3.146 1.00 0.00 C ATOM 277 O THR A 528 7.790 11.004 3.287 1.00 0.00 O ATOM 278 CB THR A 528 9.578 8.426 2.737 1.00 0.00 C ATOM 279 OG1 THR A 528 10.333 7.826 1.693 1.00 0.00 O ATOM 280 CG2 THR A 528 9.460 7.389 3.847 1.00 0.00 C ATOM 0 H THR A 528 9.176 10.305 1.046 1.00 0.00 H new ATOM 0 HA THR A 528 7.589 7.998 2.114 1.00 0.00 H new ATOM 0 HB THR A 528 10.066 9.321 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.699 6.972 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.456 7.096 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.908 7.815 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.931 6.513 3.472 1.00 0.00 H new ATOM 288 N VAL A 529 6.328 9.368 3.731 1.00 0.00 N ATOM 289 CA VAL A 529 5.314 10.165 4.419 1.00 0.00 C ATOM 290 C VAL A 529 4.937 9.481 5.734 1.00 0.00 C ATOM 291 O VAL A 529 4.972 8.253 5.838 1.00 0.00 O ATOM 292 CB VAL A 529 4.089 10.343 3.498 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.446 11.190 2.268 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.486 9.005 3.028 1.00 0.00 C ATOM 0 H VAL A 529 6.108 8.372 3.738 1.00 0.00 H new ATOM 0 HA VAL A 529 5.705 11.155 4.654 1.00 0.00 H new ATOM 0 HB VAL A 529 3.338 10.854 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.566 11.301 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.787 12.174 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.239 10.698 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.628 9.199 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.237 8.443 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.166 8.426 3.894 1.00 0.00 H new ATOM 304 N SER A 530 4.582 10.231 6.772 1.00 0.00 N ATOM 305 CA SER A 530 4.265 9.644 8.073 1.00 0.00 C ATOM 306 C SER A 530 2.776 9.299 8.094 1.00 0.00 C ATOM 307 O SER A 530 1.986 10.000 8.726 1.00 0.00 O ATOM 308 CB SER A 530 4.765 10.553 9.212 1.00 0.00 C ATOM 309 OG SER A 530 4.605 11.934 8.943 1.00 0.00 O ATOM 0 H SER A 530 4.506 11.248 6.739 1.00 0.00 H new ATOM 0 HA SER A 530 4.795 8.706 8.241 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.228 10.304 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 530 5.819 10.346 9.395 1.00 0.00 H new ATOM 0 HG SER A 530 4.939 12.456 9.702 1.00 0.00 H new ATOM 315 N TRP A 531 2.374 8.304 7.294 1.00 0.00 N ATOM 316 CA TRP A 531 0.985 7.899 7.114 1.00 0.00 C ATOM 317 C TRP A 531 0.892 6.456 7.620 1.00 0.00 C ATOM 318 O TRP A 531 1.932 5.793 7.686 1.00 0.00 O ATOM 319 CB TRP A 531 0.663 7.983 5.614 1.00 0.00 C ATOM 320 CG TRP A 531 0.564 9.341 4.972 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.837 10.534 5.544 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.236 9.652 3.585 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.783 11.540 4.597 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.498 11.033 3.349 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.197 8.895 2.480 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.440 11.601 2.069 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.254 9.447 1.189 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.086 10.793 0.978 1.00 0.00 C ATOM 0 H TRP A 531 3.027 7.747 6.742 1.00 0.00 H new ATOM 0 HA TRP A 531 0.279 8.530 7.655 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.428 7.419 5.079 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.284 7.470 5.450 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.064 10.681 6.590 1.00 0.00 H new ATOM 0 HE1 TRP A 531 0.935 12.529 4.797 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.492 7.867 2.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.665 12.647 1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.561 8.833 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.075 11.205 -0.020 1.00 0.00 H new ATOM 339 N ASN A 532 -0.301 5.926 7.925 1.00 0.00 N ATOM 340 CA ASN A 532 -0.425 4.611 8.575 1.00 0.00 C ATOM 341 C ASN A 532 -1.269 3.651 7.767 1.00 0.00 C ATOM 342 O ASN A 532 -0.767 2.608 7.358 1.00 0.00 O ATOM 343 CB ASN A 532 -0.924 4.751 10.016 1.00 0.00 C ATOM 344 CG ASN A 532 0.261 5.211 10.838 1.00 0.00 C ATOM 345 OD1 ASN A 532 1.157 4.417 11.127 1.00 0.00 O ATOM 346 ND2 ASN A 532 0.323 6.509 11.072 1.00 0.00 N ATOM 0 H ASN A 532 -1.192 6.385 7.733 1.00 0.00 H new ATOM 0 HA ASN A 532 0.573 4.174 8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -1.740 5.471 10.076 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.309 3.801 10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 532 1.149 6.908 11.517 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.455 7.113 10.807 1.00 0.00 H new ATOM 353 N LEU A 533 -2.528 3.978 7.494 1.00 0.00 N ATOM 354 CA LEU A 533 -3.351 3.264 6.529 1.00 0.00 C ATOM 355 C LEU A 533 -4.497 4.172 6.110 1.00 0.00 C ATOM 356 O LEU A 533 -4.735 4.327 4.925 1.00 0.00 O ATOM 357 CB LEU A 533 -3.961 1.983 7.132 1.00 0.00 C ATOM 358 CG LEU A 533 -3.315 0.651 6.706 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.155 -0.460 7.318 1.00 0.00 C ATOM 360 CD2 LEU A 533 -3.253 0.429 5.185 1.00 0.00 C ATOM 0 H LEU A 533 -3.010 4.757 7.943 1.00 0.00 H new ATOM 0 HA LEU A 533 -2.719 2.986 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.907 2.057 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.018 1.950 6.867 1.00 0.00 H new ATOM 0 HG LEU A 533 -2.281 0.662 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -3.735 -1.427 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -4.156 -0.360 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.177 -0.390 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.784 -0.532 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -4.263 0.436 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -2.669 1.226 4.725 1.00 0.00 H new ATOM 372 N ARG A 534 -5.247 4.737 7.057 1.00 0.00 N ATOM 373 CA ARG A 534 -6.367 5.644 6.767 1.00 0.00 C ATOM 374 C ARG A 534 -5.886 6.883 6.016 1.00 0.00 C ATOM 375 O ARG A 534 -6.577 7.355 5.114 1.00 0.00 O ATOM 376 CB ARG A 534 -7.111 6.038 8.049 1.00 0.00 C ATOM 377 CG ARG A 534 -7.929 4.861 8.613 1.00 0.00 C ATOM 378 CD ARG A 534 -7.503 4.443 10.025 1.00 0.00 C ATOM 379 NE ARG A 534 -8.511 4.773 11.044 1.00 0.00 N ATOM 380 CZ ARG A 534 -8.358 4.506 12.349 1.00 0.00 C ATOM 381 NH1 ARG A 534 -7.254 3.917 12.808 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.318 4.831 13.204 1.00 0.00 N ATOM 0 H ARG A 534 -5.097 4.580 8.054 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.068 5.109 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.394 6.376 8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.775 6.877 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.984 5.135 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.830 4.006 7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.315 3.369 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.563 4.935 10.277 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.372 5.229 10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.507 3.661 12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.156 3.722 13.804 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.169 5.282 12.868 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -9.206 4.630 14.198 1.00 0.00 H new ATOM 396 N GLU A 535 -4.692 7.377 6.340 1.00 0.00 N ATOM 397 CA GLU A 535 -4.046 8.463 5.613 1.00 0.00 C ATOM 398 C GLU A 535 -3.869 8.068 4.144 1.00 0.00 C ATOM 399 O GLU A 535 -4.155 8.844 3.227 1.00 0.00 O ATOM 400 CB GLU A 535 -2.680 8.743 6.229 1.00 0.00 C ATOM 401 CG GLU A 535 -2.755 9.351 7.627 1.00 0.00 C ATOM 402 CD GLU A 535 -3.140 8.356 8.715 1.00 0.00 C ATOM 403 OE1 GLU A 535 -2.921 7.130 8.551 1.00 0.00 O ATOM 404 OE2 GLU A 535 -3.634 8.821 9.765 1.00 0.00 O ATOM 0 H GLU A 535 -4.141 7.028 7.125 1.00 0.00 H new ATOM 0 HA GLU A 535 -4.666 9.357 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.114 7.813 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.128 9.419 5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -1.788 9.788 7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -3.480 10.165 7.620 1.00 0.00 H new ATOM 411 N MET A 536 -3.378 6.841 3.948 1.00 0.00 N ATOM 412 CA MET A 536 -3.013 6.240 2.687 1.00 0.00 C ATOM 413 C MET A 536 -4.266 6.051 1.848 1.00 0.00 C ATOM 414 O MET A 536 -4.338 6.646 0.783 1.00 0.00 O ATOM 415 CB MET A 536 -2.290 4.911 2.937 1.00 0.00 C ATOM 416 CG MET A 536 -1.126 4.990 3.931 1.00 0.00 C ATOM 417 SD MET A 536 0.427 5.590 3.250 1.00 0.00 S ATOM 418 CE MET A 536 0.891 4.127 2.340 1.00 0.00 C ATOM 0 H MET A 536 -3.218 6.206 4.730 1.00 0.00 H new ATOM 0 HA MET A 536 -2.329 6.889 2.140 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.014 4.183 3.304 1.00 0.00 H new ATOM 0 HB3 MET A 536 -1.913 4.534 1.986 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.418 5.640 4.756 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.960 3.998 4.351 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.709 4.366 1.660 1.00 0.00 H new ATOM 0 HE2 MET A 536 1.212 3.352 3.036 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.036 3.768 1.767 1.00 0.00 H new ATOM 428 N LEU A 537 -5.243 5.278 2.342 1.00 0.00 N ATOM 429 CA LEU A 537 -6.603 5.144 1.886 1.00 0.00 C ATOM 430 C LEU A 537 -7.147 6.447 1.330 1.00 0.00 C ATOM 431 O LEU A 537 -7.605 6.436 0.196 1.00 0.00 O ATOM 432 CB LEU A 537 -7.446 4.686 3.084 1.00 0.00 C ATOM 433 CG LEU A 537 -7.692 3.179 3.140 1.00 0.00 C ATOM 434 CD1 LEU A 537 -6.517 2.208 3.090 1.00 0.00 C ATOM 435 CD2 LEU A 537 -8.499 2.842 4.397 1.00 0.00 C ATOM 0 H LEU A 537 -5.067 4.679 3.149 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.643 4.418 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -6.948 4.996 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.408 5.198 3.054 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.203 3.015 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -6.888 1.184 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -5.968 2.349 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -5.854 2.396 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -8.676 1.767 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -7.942 3.153 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -9.454 3.366 4.367 1.00 0.00 H new ATOM 447 N ALA A 538 -7.124 7.547 2.092 1.00 0.00 N ATOM 448 CA ALA A 538 -7.757 8.782 1.632 1.00 0.00 C ATOM 449 C ALA A 538 -7.098 9.316 0.355 1.00 0.00 C ATOM 450 O ALA A 538 -7.784 9.751 -0.571 1.00 0.00 O ATOM 451 CB ALA A 538 -7.693 9.823 2.741 1.00 0.00 C ATOM 0 H ALA A 538 -6.683 7.605 3.010 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.798 8.566 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.164 10.746 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.217 9.450 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.652 10.020 2.996 1.00 0.00 H new ATOM 457 N HIS A 539 -5.765 9.274 0.298 1.00 0.00 N ATOM 458 CA HIS A 539 -4.999 9.710 -0.860 1.00 0.00 C ATOM 459 C HIS A 539 -5.071 8.696 -2.004 1.00 0.00 C ATOM 460 O HIS A 539 -5.031 9.078 -3.172 1.00 0.00 O ATOM 461 CB HIS A 539 -3.556 9.938 -0.429 1.00 0.00 C ATOM 462 CG HIS A 539 -2.672 10.363 -1.564 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.778 11.533 -2.296 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.681 9.597 -2.107 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.827 11.488 -3.241 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.129 10.340 -3.133 1.00 0.00 N ATOM 0 H HIS A 539 -5.186 8.932 1.065 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.426 10.639 -1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.530 10.699 0.351 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.163 9.020 0.008 1.00 0.00 H new ATOM 0 HD1 HIS A 539 -3.450 12.285 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.386 8.606 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.647 12.257 -3.978 1.00 0.00 H new ATOM 475 N ALA A 540 -5.134 7.405 -1.694 1.00 0.00 N ATOM 476 CA ALA A 540 -5.381 6.335 -2.648 1.00 0.00 C ATOM 477 C ALA A 540 -6.714 6.583 -3.344 1.00 0.00 C ATOM 478 O ALA A 540 -6.757 6.543 -4.560 1.00 0.00 O ATOM 479 CB ALA A 540 -5.361 4.965 -1.958 1.00 0.00 C ATOM 0 H ALA A 540 -5.010 7.066 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.586 6.329 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.548 4.184 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.386 4.804 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.134 4.933 -1.190 1.00 0.00 H new ATOM 485 N GLU A 541 -7.773 6.898 -2.599 1.00 0.00 N ATOM 486 CA GLU A 541 -9.087 7.259 -3.118 1.00 0.00 C ATOM 487 C GLU A 541 -8.984 8.485 -4.022 1.00 0.00 C ATOM 488 O GLU A 541 -9.460 8.459 -5.155 1.00 0.00 O ATOM 489 CB GLU A 541 -10.041 7.511 -1.931 1.00 0.00 C ATOM 490 CG GLU A 541 -11.074 6.391 -1.791 1.00 0.00 C ATOM 491 CD GLU A 541 -12.358 6.719 -2.546 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.287 7.101 -3.736 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.467 6.556 -1.977 1.00 0.00 O ATOM 0 H GLU A 541 -7.735 6.908 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.485 6.444 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.464 7.591 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.553 8.463 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.655 5.459 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.301 6.233 -0.737 1.00 0.00 H new ATOM 500 N GLU A 542 -8.349 9.549 -3.530 1.00 0.00 N ATOM 501 CA GLU A 542 -8.126 10.800 -4.245 1.00 0.00 C ATOM 502 C GLU A 542 -7.466 10.528 -5.602 1.00 0.00 C ATOM 503 O GLU A 542 -8.020 10.846 -6.653 1.00 0.00 O ATOM 504 CB GLU A 542 -7.265 11.693 -3.339 1.00 0.00 C ATOM 505 CG GLU A 542 -6.895 13.064 -3.908 1.00 0.00 C ATOM 506 CD GLU A 542 -5.963 13.806 -2.950 1.00 0.00 C ATOM 507 OE1 GLU A 542 -4.898 13.260 -2.563 1.00 0.00 O ATOM 508 OE2 GLU A 542 -6.294 14.941 -2.556 1.00 0.00 O ATOM 0 H GLU A 542 -7.962 9.561 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.065 11.309 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -7.796 11.843 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.345 11.159 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -6.410 12.944 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -7.798 13.651 -4.074 1.00 0.00 H new ATOM 515 N THR A 543 -6.295 9.895 -5.589 1.00 0.00 N ATOM 516 CA THR A 543 -5.412 9.834 -6.751 1.00 0.00 C ATOM 517 C THR A 543 -5.511 8.510 -7.526 1.00 0.00 C ATOM 518 O THR A 543 -4.842 8.299 -8.542 1.00 0.00 O ATOM 519 CB THR A 543 -3.986 10.226 -6.331 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.452 9.385 -5.318 1.00 0.00 O ATOM 521 CG2 THR A 543 -3.953 11.653 -5.781 1.00 0.00 C ATOM 0 H THR A 543 -5.931 9.409 -4.770 1.00 0.00 H new ATOM 0 HA THR A 543 -5.748 10.567 -7.484 1.00 0.00 H new ATOM 0 HB THR A 543 -3.386 10.129 -7.236 1.00 0.00 H new ATOM 0 HG1 THR A 543 -3.904 9.569 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 543 -2.934 11.908 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.296 12.347 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.606 11.723 -4.911 1.00 0.00 H new ATOM 529 N ARG A 544 -6.372 7.602 -7.058 1.00 0.00 N ATOM 530 CA ARG A 544 -6.550 6.229 -7.526 1.00 0.00 C ATOM 531 C ARG A 544 -5.229 5.455 -7.536 1.00 0.00 C ATOM 532 O ARG A 544 -5.039 4.541 -8.339 1.00 0.00 O ATOM 533 CB ARG A 544 -7.323 6.185 -8.850 1.00 0.00 C ATOM 534 CG ARG A 544 -8.785 6.640 -8.748 1.00 0.00 C ATOM 535 CD ARG A 544 -8.951 8.143 -8.518 1.00 0.00 C ATOM 536 NE ARG A 544 -10.323 8.578 -8.807 1.00 0.00 N ATOM 537 CZ ARG A 544 -10.738 9.841 -8.910 1.00 0.00 C ATOM 538 NH1 ARG A 544 -9.931 10.862 -8.649 1.00 0.00 N ATOM 539 NH2 ARG A 544 -11.986 10.048 -9.296 1.00 0.00 N ATOM 0 H ARG A 544 -7.005 7.824 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.177 5.700 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -6.810 6.814 -9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.299 5.166 -9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.306 6.363 -9.664 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.267 6.102 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -8.700 8.385 -7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -8.253 8.689 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.022 7.848 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -8.968 10.690 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -10.274 11.819 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -12.594 9.256 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -12.341 11.000 -9.387 1.00 0.00 H new ATOM 553 N LYS A 545 -4.267 5.831 -6.690 1.00 0.00 N ATOM 554 CA LYS A 545 -2.961 5.179 -6.642 1.00 0.00 C ATOM 555 C LYS A 545 -3.141 3.757 -6.120 1.00 0.00 C ATOM 556 O LYS A 545 -3.709 3.566 -5.044 1.00 0.00 O ATOM 557 CB LYS A 545 -1.975 6.009 -5.811 1.00 0.00 C ATOM 558 CG LYS A 545 -1.478 7.198 -6.646 1.00 0.00 C ATOM 559 CD LYS A 545 -0.449 8.050 -5.898 1.00 0.00 C ATOM 560 CE LYS A 545 -0.015 9.220 -6.798 1.00 0.00 C ATOM 561 NZ LYS A 545 1.418 9.581 -6.662 1.00 0.00 N ATOM 0 H LYS A 545 -4.373 6.594 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.528 5.114 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.459 6.366 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.133 5.390 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.036 6.829 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.327 7.822 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -0.877 8.428 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.415 7.444 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -0.218 8.961 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -0.624 10.093 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 1.798 9.851 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 1.514 10.380 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 1.948 8.765 -6.295 1.00 0.00 H new ATOM 575 N LEU A 546 -2.712 2.771 -6.908 1.00 0.00 N ATOM 576 CA LEU A 546 -2.883 1.344 -6.641 1.00 0.00 C ATOM 577 C LEU A 546 -2.156 0.969 -5.339 1.00 0.00 C ATOM 578 O LEU A 546 -1.094 1.517 -5.028 1.00 0.00 O ATOM 579 CB LEU A 546 -2.346 0.579 -7.862 1.00 0.00 C ATOM 580 CG LEU A 546 -2.301 -0.958 -7.750 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.685 -1.608 -7.814 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.431 -1.508 -8.885 1.00 0.00 C ATOM 0 H LEU A 546 -2.218 2.952 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.931 1.082 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.960 0.840 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.337 0.935 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.883 -1.202 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.583 -2.690 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.300 -1.236 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -4.159 -1.361 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.390 -2.595 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.860 -1.219 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.423 -1.101 -8.801 1.00 0.00 H new ATOM 594 N MET A 547 -2.697 0.005 -4.591 1.00 0.00 N ATOM 595 CA MET A 547 -2.288 -0.277 -3.217 1.00 0.00 C ATOM 596 C MET A 547 -1.949 -1.770 -3.029 1.00 0.00 C ATOM 597 O MET A 547 -2.859 -2.564 -2.785 1.00 0.00 O ATOM 598 CB MET A 547 -3.417 0.227 -2.305 1.00 0.00 C ATOM 599 CG MET A 547 -3.013 0.342 -0.837 1.00 0.00 C ATOM 600 SD MET A 547 -3.987 1.586 0.057 1.00 0.00 S ATOM 601 CE MET A 547 -3.019 1.719 1.573 1.00 0.00 C ATOM 0 H MET A 547 -3.440 -0.608 -4.928 1.00 0.00 H new ATOM 0 HA MET A 547 -1.365 0.242 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.750 1.203 -2.659 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.268 -0.449 -2.387 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.135 -0.627 -0.353 1.00 0.00 H new ATOM 0 HG3 MET A 547 -1.956 0.599 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.625 2.182 2.352 1.00 0.00 H new ATOM 0 HE2 MET A 547 -2.711 0.725 1.896 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.136 2.330 1.388 1.00 0.00 H new ATOM 611 N PRO A 548 -0.677 -2.196 -3.158 1.00 0.00 N ATOM 612 CA PRO A 548 -0.281 -3.576 -2.899 1.00 0.00 C ATOM 613 C PRO A 548 -0.421 -3.905 -1.413 1.00 0.00 C ATOM 614 O PRO A 548 0.098 -3.161 -0.577 1.00 0.00 O ATOM 615 CB PRO A 548 1.171 -3.712 -3.370 1.00 0.00 C ATOM 616 CG PRO A 548 1.698 -2.292 -3.547 1.00 0.00 C ATOM 617 CD PRO A 548 0.498 -1.366 -3.346 1.00 0.00 C ATOM 0 HA PRO A 548 -0.921 -4.279 -3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.767 -4.260 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 548 1.226 -4.267 -4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.483 -2.075 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.132 -2.158 -4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.653 -0.722 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.370 -0.713 -4.210 1.00 0.00 H new ATOM 625 N ILE A 549 -1.057 -5.030 -1.082 1.00 0.00 N ATOM 626 CA ILE A 549 -1.229 -5.524 0.280 1.00 0.00 C ATOM 627 C ILE A 549 -0.905 -7.021 0.262 1.00 0.00 C ATOM 628 O ILE A 549 -1.254 -7.728 -0.683 1.00 0.00 O ATOM 629 CB ILE A 549 -2.671 -5.262 0.764 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.116 -3.784 0.710 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.946 -5.847 2.159 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.449 -2.822 1.700 1.00 0.00 C ATOM 0 H ILE A 549 -1.480 -5.641 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.565 -5.009 0.974 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.282 -5.793 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.935 -3.412 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.193 -3.748 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.975 -5.632 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.793 -6.926 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.265 -5.398 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.850 -1.818 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.650 -3.152 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.373 -2.811 1.528 1.00 0.00 H new ATOM 644 N CYS A 550 -0.261 -7.516 1.317 1.00 0.00 N ATOM 645 CA CYS A 550 0.016 -8.935 1.468 1.00 0.00 C ATOM 646 C CYS A 550 -1.119 -9.585 2.263 1.00 0.00 C ATOM 647 O CYS A 550 -1.393 -9.173 3.391 1.00 0.00 O ATOM 648 CB CYS A 550 1.358 -9.092 2.186 1.00 0.00 C ATOM 649 SG CYS A 550 1.855 -10.834 2.186 1.00 0.00 S ATOM 0 H CYS A 550 0.081 -6.942 2.088 1.00 0.00 H new ATOM 0 HA CYS A 550 0.076 -9.427 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.118 -8.488 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.278 -8.727 3.210 1.00 0.00 H new ATOM 0 HG CYS A 550 2.143 -11.203 0.973 1.00 0.00 H new ATOM 655 N MET A 551 -1.733 -10.650 1.738 1.00 0.00 N ATOM 656 CA MET A 551 -2.791 -11.387 2.443 1.00 0.00 C ATOM 657 C MET A 551 -2.300 -12.166 3.677 1.00 0.00 C ATOM 658 O MET A 551 -3.068 -12.901 4.300 1.00 0.00 O ATOM 659 CB MET A 551 -3.555 -12.305 1.482 1.00 0.00 C ATOM 660 CG MET A 551 -2.673 -13.418 0.903 1.00 0.00 C ATOM 661 SD MET A 551 -3.514 -14.639 -0.140 1.00 0.00 S ATOM 662 CE MET A 551 -4.484 -13.557 -1.233 1.00 0.00 C ATOM 0 H MET A 551 -1.513 -11.026 0.816 1.00 0.00 H new ATOM 0 HA MET A 551 -3.472 -10.627 2.827 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.400 -12.752 2.007 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.965 -11.710 0.666 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.878 -12.956 0.318 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.196 -13.944 1.730 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.900 -14.145 -2.051 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.295 -13.100 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.839 -12.777 -1.638 1.00 0.00 H new ATOM 672 N ASP A 552 -1.028 -12.054 4.040 1.00 0.00 N ATOM 673 CA ASP A 552 -0.485 -12.642 5.259 1.00 0.00 C ATOM 674 C ASP A 552 -0.874 -11.839 6.500 1.00 0.00 C ATOM 675 O ASP A 552 -1.136 -12.401 7.562 1.00 0.00 O ATOM 676 CB ASP A 552 1.033 -12.665 5.132 1.00 0.00 C ATOM 677 CG ASP A 552 1.730 -13.283 6.349 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.222 -14.288 6.897 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.825 -12.783 6.709 1.00 0.00 O ATOM 0 H ASP A 552 -0.336 -11.546 3.489 1.00 0.00 H new ATOM 0 HA ASP A 552 -0.891 -13.647 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.308 -13.227 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.395 -11.647 4.992 1.00 0.00 H new ATOM 684 N VAL A 553 -0.933 -10.512 6.384 1.00 0.00 N ATOM 685 CA VAL A 553 -1.040 -9.619 7.530 1.00 0.00 C ATOM 686 C VAL A 553 -2.514 -9.358 7.827 1.00 0.00 C ATOM 687 O VAL A 553 -3.080 -8.337 7.434 1.00 0.00 O ATOM 688 CB VAL A 553 -0.113 -8.400 7.366 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.135 -7.784 5.968 1.00 0.00 C ATOM 690 CG2 VAL A 553 -0.165 -7.399 8.512 1.00 0.00 C ATOM 0 H VAL A 553 -0.908 -10.028 5.487 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.660 -10.076 8.444 1.00 0.00 H new ATOM 0 HB VAL A 553 0.891 -8.816 7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.544 -6.932 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 553 0.182 -8.528 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 553 -1.146 -7.452 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 553 0.520 -6.576 8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 553 -1.179 -7.011 8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 553 0.126 -7.892 9.439 1.00 0.00 H new ATOM 700 N ARG A 554 -3.143 -10.299 8.545 1.00 0.00 N ATOM 701 CA ARG A 554 -4.528 -10.201 9.016 1.00 0.00 C ATOM 702 C ARG A 554 -4.747 -8.870 9.724 1.00 0.00 C ATOM 703 O ARG A 554 -5.803 -8.268 9.541 1.00 0.00 O ATOM 704 CB ARG A 554 -4.857 -11.364 9.969 1.00 0.00 C ATOM 705 CG ARG A 554 -5.013 -12.741 9.305 1.00 0.00 C ATOM 706 CD ARG A 554 -6.347 -12.920 8.560 1.00 0.00 C ATOM 707 NE ARG A 554 -6.445 -14.276 8.001 1.00 0.00 N ATOM 708 CZ ARG A 554 -7.329 -14.741 7.111 1.00 0.00 C ATOM 709 NH1 ARG A 554 -8.276 -13.966 6.597 1.00 0.00 N ATOM 710 NH2 ARG A 554 -7.272 -16.011 6.722 1.00 0.00 N ATOM 0 H ARG A 554 -2.690 -11.170 8.820 1.00 0.00 H new ATOM 0 HA ARG A 554 -5.192 -10.259 8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -4.069 -11.429 10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.781 -11.128 10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -4.192 -12.892 8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.926 -13.515 10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -7.178 -12.740 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -6.426 -12.184 7.760 1.00 0.00 H new ATOM 0 HE ARG A 554 -5.752 -14.947 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -8.343 -12.988 6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -8.936 -14.348 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -6.555 -16.629 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -7.945 -16.367 6.044 1.00 0.00 H new ATOM 724 N ALA A 555 -3.746 -8.382 10.461 1.00 0.00 N ATOM 725 CA ALA A 555 -3.777 -7.087 11.115 1.00 0.00 C ATOM 726 C ALA A 555 -4.018 -5.934 10.135 1.00 0.00 C ATOM 727 O ALA A 555 -4.876 -5.088 10.409 1.00 0.00 O ATOM 728 CB ALA A 555 -2.479 -6.882 11.899 1.00 0.00 C ATOM 0 H ALA A 555 -2.877 -8.892 10.618 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.623 -7.080 11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.501 -5.910 12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.380 -7.666 12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.631 -6.924 11.216 1.00 0.00 H new ATOM 734 N ILE A 556 -3.288 -5.866 9.014 1.00 0.00 N ATOM 735 CA ILE A 556 -3.514 -4.814 8.017 1.00 0.00 C ATOM 736 C ILE A 556 -4.899 -5.018 7.395 1.00 0.00 C ATOM 737 O ILE A 556 -5.656 -4.052 7.248 1.00 0.00 O ATOM 738 CB ILE A 556 -2.336 -4.767 7.006 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.195 -3.958 7.671 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.710 -4.161 5.640 1.00 0.00 C ATOM 741 CD1 ILE A 556 0.156 -3.994 6.948 1.00 0.00 C ATOM 0 H ILE A 556 -2.543 -6.521 8.777 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.524 -3.824 8.473 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.031 -5.789 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -1.513 -2.919 7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.053 -4.332 8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.835 -4.163 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.503 -4.754 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.057 -3.137 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.880 -3.395 7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.508 -5.024 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.041 -3.589 5.943 1.00 0.00 H new ATOM 753 N MET A 557 -5.266 -6.266 7.095 1.00 0.00 N ATOM 754 CA MET A 557 -6.537 -6.575 6.444 1.00 0.00 C ATOM 755 C MET A 557 -7.709 -6.170 7.352 1.00 0.00 C ATOM 756 O MET A 557 -8.714 -5.639 6.891 1.00 0.00 O ATOM 757 CB MET A 557 -6.610 -8.058 6.047 1.00 0.00 C ATOM 758 CG MET A 557 -5.361 -8.611 5.345 1.00 0.00 C ATOM 759 SD MET A 557 -5.710 -9.501 3.820 1.00 0.00 S ATOM 760 CE MET A 557 -6.127 -8.042 2.850 1.00 0.00 C ATOM 0 H MET A 557 -4.693 -7.085 7.296 1.00 0.00 H new ATOM 0 HA MET A 557 -6.608 -5.995 5.524 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.794 -8.649 6.944 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.468 -8.200 5.390 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.685 -7.785 5.125 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.837 -9.277 6.030 1.00 0.00 H new ATOM 0 HE1 MET A 557 -5.729 -8.150 1.841 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.211 -7.934 2.803 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.694 -7.158 3.318 1.00 0.00 H new ATOM 770 N ALA A 558 -7.562 -6.308 8.673 1.00 0.00 N ATOM 771 CA ALA A 558 -8.535 -5.881 9.676 1.00 0.00 C ATOM 772 C ALA A 558 -8.755 -4.362 9.709 1.00 0.00 C ATOM 773 O ALA A 558 -9.664 -3.899 10.400 1.00 0.00 O ATOM 774 CB ALA A 558 -8.082 -6.354 11.058 1.00 0.00 C ATOM 0 H ALA A 558 -6.733 -6.735 9.085 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.488 -6.332 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.807 -6.036 11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.007 -7.441 11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.108 -5.922 11.289 1.00 0.00 H new ATOM 780 N THR A 559 -7.954 -3.572 8.993 1.00 0.00 N ATOM 781 CA THR A 559 -8.226 -2.154 8.786 1.00 0.00 C ATOM 782 C THR A 559 -8.832 -1.891 7.403 1.00 0.00 C ATOM 783 O THR A 559 -9.617 -0.952 7.268 1.00 0.00 O ATOM 784 CB THR A 559 -6.950 -1.347 9.065 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.481 -1.636 10.366 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.198 0.163 8.979 1.00 0.00 C ATOM 0 H THR A 559 -7.100 -3.899 8.542 1.00 0.00 H new ATOM 0 HA THR A 559 -8.985 -1.818 9.492 1.00 0.00 H new ATOM 0 HB THR A 559 -6.218 -1.630 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 559 -5.666 -1.121 10.542 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.270 0.696 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 559 -7.551 0.417 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 559 -7.951 0.451 9.713 1.00 0.00 H new ATOM 794 N ILE A 560 -8.530 -2.708 6.390 1.00 0.00 N ATOM 795 CA ILE A 560 -9.128 -2.601 5.070 1.00 0.00 C ATOM 796 C ILE A 560 -10.530 -3.222 5.127 1.00 0.00 C ATOM 797 O ILE A 560 -11.498 -2.478 5.221 1.00 0.00 O ATOM 798 CB ILE A 560 -8.185 -3.213 4.014 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.847 -2.444 4.003 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.827 -3.180 2.615 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.751 -3.170 3.222 1.00 0.00 C ATOM 0 H ILE A 560 -7.855 -3.468 6.471 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.257 -1.564 4.761 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.002 -4.255 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.004 -1.457 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.514 -2.290 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.141 -3.617 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.755 -3.751 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.040 -2.148 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.834 -2.581 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.569 -4.146 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.067 -3.301 2.187 1.00 0.00 H new ATOM 813 N GLN A 561 -10.682 -4.549 5.133 1.00 0.00 N ATOM 814 CA GLN A 561 -11.952 -5.271 5.079 1.00 0.00 C ATOM 815 C GLN A 561 -12.960 -4.737 6.127 1.00 0.00 C ATOM 816 O GLN A 561 -14.167 -4.778 5.899 1.00 0.00 O ATOM 817 CB GLN A 561 -11.664 -6.757 5.353 1.00 0.00 C ATOM 818 CG GLN A 561 -11.021 -7.545 4.197 1.00 0.00 C ATOM 819 CD GLN A 561 -9.887 -6.854 3.452 1.00 0.00 C ATOM 820 OE1 GLN A 561 -8.873 -6.489 4.026 1.00 0.00 O ATOM 821 NE2 GLN A 561 -10.076 -6.664 2.159 1.00 0.00 N ATOM 0 H GLN A 561 -9.881 -5.179 5.178 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.399 -5.130 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.009 -6.825 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.601 -7.245 5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -10.644 -8.487 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -11.801 -7.792 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.938 -6.984 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -9.360 -6.197 1.602 1.00 0.00 H new ATOM 830 N ARG A 562 -12.506 -4.229 7.289 1.00 0.00 N ATOM 831 CA ARG A 562 -13.376 -3.610 8.289 1.00 0.00 C ATOM 832 C ARG A 562 -13.983 -2.303 7.798 1.00 0.00 C ATOM 833 O ARG A 562 -15.184 -2.101 7.953 1.00 0.00 O ATOM 834 CB ARG A 562 -12.581 -3.383 9.579 1.00 0.00 C ATOM 835 CG ARG A 562 -13.449 -2.821 10.711 1.00 0.00 C ATOM 836 CD ARG A 562 -12.765 -3.056 12.058 1.00 0.00 C ATOM 837 NE ARG A 562 -13.606 -2.551 13.159 1.00 0.00 N ATOM 838 CZ ARG A 562 -13.378 -2.612 14.476 1.00 0.00 C ATOM 839 NH1 ARG A 562 -12.341 -3.261 14.990 1.00 0.00 N ATOM 840 NH2 ARG A 562 -14.191 -1.957 15.293 1.00 0.00 N ATOM 0 H ARG A 562 -11.521 -4.240 7.555 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.207 -4.289 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.137 -4.326 9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -11.759 -2.695 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -13.614 -1.754 10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -14.428 -3.300 10.702 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -12.576 -4.121 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -11.797 -2.556 12.073 1.00 0.00 H new ATOM 0 HE ARG A 562 -14.475 -2.096 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -11.682 -3.738 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -12.203 -3.283 16.000 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -14.971 -1.421 14.914 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -14.036 -1.989 16.301 1.00 0.00 H new ATOM 854 N LYS A 563 -13.152 -1.400 7.273 1.00 0.00 N ATOM 855 CA LYS A 563 -13.573 -0.148 6.657 1.00 0.00 C ATOM 856 C LYS A 563 -14.561 -0.500 5.558 1.00 0.00 C ATOM 857 O LYS A 563 -15.738 -0.152 5.626 1.00 0.00 O ATOM 858 CB LYS A 563 -12.322 0.541 6.080 1.00 0.00 C ATOM 859 CG LYS A 563 -12.533 1.960 5.538 1.00 0.00 C ATOM 860 CD LYS A 563 -12.077 3.064 6.495 1.00 0.00 C ATOM 861 CE LYS A 563 -10.596 2.940 6.884 1.00 0.00 C ATOM 862 NZ LYS A 563 -10.397 2.364 8.235 1.00 0.00 N ATOM 0 H LYS A 563 -12.140 -1.527 7.266 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.047 0.529 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.560 0.579 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.926 -0.080 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -11.993 2.063 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.591 2.100 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.246 4.035 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.689 3.033 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.085 2.316 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.132 3.925 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.141 3.121 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.277 1.908 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -9.633 1.659 8.203 1.00 0.00 H new ATOM 876 N TYR A 564 -14.053 -1.246 4.588 1.00 0.00 N ATOM 877 CA TYR A 564 -14.700 -1.636 3.366 1.00 0.00 C ATOM 878 C TYR A 564 -15.539 -2.881 3.639 1.00 0.00 C ATOM 879 O TYR A 564 -15.273 -3.944 3.085 1.00 0.00 O ATOM 880 CB TYR A 564 -13.600 -1.893 2.330 1.00 0.00 C ATOM 881 CG TYR A 564 -12.730 -0.693 1.981 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.156 0.195 0.982 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.474 -0.489 2.595 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.342 1.276 0.610 1.00 0.00 C ATOM 885 CE2 TYR A 564 -10.653 0.598 2.243 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.102 1.491 1.244 1.00 0.00 C ATOM 887 OH TYR A 564 -10.345 2.559 0.890 1.00 0.00 O ATOM 0 H TYR A 564 -13.105 -1.617 4.650 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.369 -0.865 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -12.956 -2.690 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.066 -2.259 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.111 0.047 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.137 -1.183 3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.669 1.949 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -9.699 0.747 2.727 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.337 3.211 1.621 1.00 0.00 H new ATOM 897 N LYS A 565 -16.524 -2.781 4.534 1.00 0.00 N ATOM 898 CA LYS A 565 -17.445 -3.861 4.821 1.00 0.00 C ATOM 899 C LYS A 565 -18.123 -4.329 3.533 1.00 0.00 C ATOM 900 O LYS A 565 -18.270 -3.541 2.593 1.00 0.00 O ATOM 901 CB LYS A 565 -18.408 -3.398 5.915 1.00 0.00 C ATOM 902 CG LYS A 565 -19.516 -2.535 5.321 1.00 0.00 C ATOM 903 CD LYS A 565 -20.565 -2.088 6.327 1.00 0.00 C ATOM 904 CE LYS A 565 -21.494 -3.241 6.700 1.00 0.00 C ATOM 905 NZ LYS A 565 -22.658 -2.754 7.460 1.00 0.00 N ATOM 0 H LYS A 565 -16.699 -1.937 5.080 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.928 -4.740 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.842 -4.263 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.864 -2.832 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.068 -1.653 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.008 -3.093 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.075 -1.707 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.148 -1.267 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -21.831 -3.748 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.949 -3.975 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -23.275 -3.556 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -22.334 -2.291 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -23.189 -2.071 6.882 1.00 0.00 H new ATOM 919 N GLY A 566 -18.625 -5.561 3.551 1.00 0.00 N ATOM 920 CA GLY A 566 -19.359 -6.143 2.442 1.00 0.00 C ATOM 921 C GLY A 566 -18.454 -6.884 1.463 1.00 0.00 C ATOM 922 O GLY A 566 -18.904 -7.192 0.358 1.00 0.00 O ATOM 0 H GLY A 566 -18.529 -6.188 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -20.109 -6.832 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.893 -5.355 1.912 1.00 0.00 H new ATOM 926 N ILE A 567 -17.194 -7.127 1.829 1.00 0.00 N ATOM 927 CA ILE A 567 -16.170 -7.791 1.031 1.00 0.00 C ATOM 928 C ILE A 567 -15.783 -9.126 1.678 1.00 0.00 C ATOM 929 O ILE A 567 -15.991 -9.346 2.875 1.00 0.00 O ATOM 930 CB ILE A 567 -14.981 -6.808 0.888 1.00 0.00 C ATOM 931 CG1 ILE A 567 -14.001 -7.184 -0.246 1.00 0.00 C ATOM 932 CG2 ILE A 567 -14.230 -6.619 2.217 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.703 -6.375 -0.188 1.00 0.00 C ATOM 0 H ILE A 567 -16.844 -6.848 2.745 1.00 0.00 H new ATOM 0 HA ILE A 567 -16.531 -8.040 0.033 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.429 -5.855 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.767 -8.247 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -14.485 -7.021 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.404 -5.922 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.913 -6.221 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.840 -7.579 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -12.049 -6.677 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.932 -5.313 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.203 -6.558 0.763 1.00 0.00 H new ATOM 945 N LYS A 568 -15.131 -9.993 0.906 1.00 0.00 N ATOM 946 CA LYS A 568 -14.338 -11.125 1.362 1.00 0.00 C ATOM 947 C LYS A 568 -13.034 -11.088 0.573 1.00 0.00 C ATOM 948 O LYS A 568 -13.075 -10.798 -0.614 1.00 0.00 O ATOM 949 CB LYS A 568 -15.138 -12.407 1.093 1.00 0.00 C ATOM 950 CG LYS A 568 -14.388 -13.696 1.493 1.00 0.00 C ATOM 951 CD LYS A 568 -14.079 -14.580 0.274 1.00 0.00 C ATOM 952 CE LYS A 568 -13.090 -15.700 0.618 1.00 0.00 C ATOM 953 NZ LYS A 568 -12.792 -16.546 -0.555 1.00 0.00 N ATOM 0 H LYS A 568 -15.145 -9.917 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 568 -14.115 -11.090 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.080 -12.360 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.387 -12.455 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -13.458 -13.433 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.989 -14.259 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -15.004 -15.016 -0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -13.667 -13.965 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.165 -15.265 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -13.503 -16.317 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -12.120 -17.292 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -13.671 -16.981 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -12.375 -15.962 -1.307 1.00 0.00 H new ATOM 967 N ILE A 569 -11.896 -11.344 1.226 1.00 0.00 N ATOM 968 CA ILE A 569 -10.546 -11.470 0.668 1.00 0.00 C ATOM 969 C ILE A 569 -10.536 -12.170 -0.696 1.00 0.00 C ATOM 970 O ILE A 569 -11.358 -13.042 -0.983 1.00 0.00 O ATOM 971 CB ILE A 569 -9.593 -12.150 1.679 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.536 -11.398 3.027 1.00 0.00 C ATOM 973 CG2 ILE A 569 -8.166 -12.240 1.103 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.028 -9.959 2.907 1.00 0.00 C ATOM 0 H ILE A 569 -11.895 -11.479 2.237 1.00 0.00 H new ATOM 0 HA ILE A 569 -10.175 -10.461 0.488 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.992 -13.149 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.532 -11.387 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.889 -11.946 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.510 -12.721 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.181 -12.825 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.796 -11.237 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.015 -9.494 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.019 -9.963 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.687 -9.394 2.248 1.00 0.00 H new ATOM 986 N GLN A 570 -9.608 -11.722 -1.535 1.00 0.00 N ATOM 987 CA GLN A 570 -9.443 -12.039 -2.934 1.00 0.00 C ATOM 988 C GLN A 570 -7.935 -12.223 -3.183 1.00 0.00 C ATOM 989 O GLN A 570 -7.132 -11.996 -2.278 1.00 0.00 O ATOM 990 CB GLN A 570 -9.993 -10.860 -3.755 1.00 0.00 C ATOM 991 CG GLN A 570 -11.365 -10.287 -3.328 1.00 0.00 C ATOM 992 CD GLN A 570 -11.319 -8.941 -2.580 1.00 0.00 C ATOM 993 OE1 GLN A 570 -11.049 -8.849 -1.271 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.569 -7.913 -3.199 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.892 -11.070 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.975 -12.946 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.262 -10.052 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.067 -11.177 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -11.982 -10.167 -4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.863 -11.019 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.778 -7.956 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.568 -7.014 -2.717 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.541 -12.577 -4.403 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.163 -12.593 -4.871 1.00 0.00 C ATOM 1005 C GLU A 571 -6.131 -11.950 -6.256 1.00 0.00 C ATOM 1006 O GLU A 571 -7.129 -12.000 -6.992 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.728 -14.054 -4.951 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.221 -14.336 -5.071 1.00 0.00 C ATOM 1009 CD GLU A 571 -4.012 -15.666 -5.808 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.935 -16.733 -5.148 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -3.876 -15.638 -7.053 1.00 0.00 O ATOM 0 H GLU A 571 -8.203 -12.873 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.495 -12.046 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -6.097 -14.565 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -6.225 -14.507 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.730 -13.527 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.767 -14.380 -4.081 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.977 -11.398 -6.614 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.828 -10.537 -7.775 1.00 0.00 C ATOM 1020 C GLY A 572 -5.226 -9.111 -7.424 1.00 0.00 C ATOM 1021 O GLY A 572 -5.267 -8.717 -6.255 1.00 0.00 O ATOM 0 H GLY A 572 -4.109 -11.540 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.795 -10.559 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.448 -10.905 -8.592 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.452 -8.301 -8.452 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.994 -6.966 -8.289 1.00 0.00 C ATOM 1027 C ILE A 573 -7.362 -7.079 -7.619 1.00 0.00 C ATOM 1028 O ILE A 573 -8.138 -8.016 -7.839 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.995 -6.238 -9.651 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.559 -5.708 -9.878 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -7.030 -5.091 -9.747 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.299 -5.204 -11.296 1.00 0.00 C ATOM 0 H ILE A 573 -5.263 -8.556 -9.421 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.378 -6.349 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.294 -6.943 -10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.366 -4.898 -9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.849 -6.503 -9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.970 -4.628 -10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -8.032 -5.492 -9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.817 -4.344 -8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.271 -4.850 -11.373 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.457 -6.016 -12.006 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.983 -4.386 -11.522 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.642 -6.069 -6.809 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.859 -5.894 -6.064 1.00 0.00 C ATOM 1046 C VAL A 574 -9.353 -4.499 -6.399 1.00 0.00 C ATOM 1047 O VAL A 574 -8.589 -3.536 -6.426 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.542 -6.128 -4.572 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.546 -5.476 -3.608 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.458 -7.633 -4.306 1.00 0.00 C ATOM 0 H VAL A 574 -6.980 -5.310 -6.652 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.652 -6.599 -6.313 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.586 -5.643 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.253 -5.687 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.557 -4.398 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.542 -5.880 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.234 -7.804 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.411 -8.100 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.669 -8.068 -4.920 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.650 -4.385 -6.629 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.350 -3.121 -6.733 1.00 0.00 C ATOM 1062 C ASP A 575 -12.489 -3.205 -5.742 1.00 0.00 C ATOM 1063 O ASP A 575 -13.547 -3.765 -6.037 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.812 -2.867 -8.163 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.635 -1.574 -8.255 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -13.845 -1.576 -7.941 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -12.056 -0.543 -8.683 1.00 0.00 O ATOM 0 H ASP A 575 -11.260 -5.193 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.710 -2.271 -6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.946 -2.799 -8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.411 -3.709 -8.510 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.230 -2.739 -4.523 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.267 -2.654 -3.508 1.00 0.00 C ATOM 1074 C TYR A 576 -13.059 -1.343 -2.766 1.00 0.00 C ATOM 1075 O TYR A 576 -12.357 -1.287 -1.755 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.336 -3.919 -2.623 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.733 -4.148 -2.091 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.176 -3.393 -0.994 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.585 -5.096 -2.685 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.461 -3.592 -0.465 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.877 -5.297 -2.169 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.326 -4.527 -1.073 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.587 -4.691 -0.604 1.00 0.00 O ATOM 0 H TYR A 576 -11.312 -2.416 -4.218 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.261 -2.636 -3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -13.019 -4.787 -3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.640 -3.820 -1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.524 -2.654 -0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -15.247 -5.669 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.785 -3.034 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.526 -6.039 -2.610 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.829 -5.640 -0.640 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.596 -0.260 -3.331 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.553 1.085 -2.772 1.00 0.00 C ATOM 1095 C GLY A 577 -12.207 1.798 -2.930 1.00 0.00 C ATOM 1096 O GLY A 577 -12.186 3.027 -2.957 1.00 0.00 O ATOM 0 H GLY A 577 -14.090 -0.301 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.326 1.687 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.799 1.032 -1.711 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.103 1.068 -3.048 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.798 1.509 -3.523 1.00 0.00 C ATOM 1102 C VAL A 578 -9.313 0.364 -4.424 1.00 0.00 C ATOM 1103 O VAL A 578 -9.710 -0.795 -4.239 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.883 1.832 -2.309 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.374 1.677 -2.526 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.079 3.276 -1.832 1.00 0.00 C ATOM 0 H VAL A 578 -11.098 0.080 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.808 2.436 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.201 1.082 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.846 1.931 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.150 0.646 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.051 2.343 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.425 3.470 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.835 3.963 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.117 3.422 -1.532 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.464 0.680 -5.404 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.804 -0.314 -6.238 1.00 0.00 C ATOM 1118 C ARG A 579 -6.638 -0.856 -5.412 1.00 0.00 C ATOM 1119 O ARG A 579 -5.657 -0.132 -5.195 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.381 0.316 -7.589 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.863 -0.510 -8.792 1.00 0.00 C ATOM 1122 CD ARG A 579 -7.482 0.135 -10.140 1.00 0.00 C ATOM 1123 NE ARG A 579 -8.632 0.331 -11.046 1.00 0.00 N ATOM 1124 CZ ARG A 579 -8.627 0.796 -12.304 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -7.508 1.129 -12.928 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -9.761 0.920 -12.977 1.00 0.00 N ATOM 0 H ARG A 579 -8.217 1.641 -5.639 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.460 -1.141 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -7.785 1.326 -7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.295 0.404 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -7.434 -1.511 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.946 -0.624 -8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -7.010 1.099 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -6.741 -0.491 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 579 -9.545 0.081 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -6.611 1.035 -12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -7.543 1.479 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -10.645 0.661 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -9.750 1.274 -13.933 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.755 -2.077 -4.897 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.694 -2.784 -4.188 1.00 0.00 C ATOM 1142 C PHE A 580 -5.083 -3.872 -5.088 1.00 0.00 C ATOM 1143 O PHE A 580 -5.589 -4.141 -6.176 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.237 -3.385 -2.882 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.709 -2.412 -1.818 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.792 -1.876 -0.897 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.073 -2.091 -1.698 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.231 -1.053 0.154 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.513 -1.248 -0.663 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.594 -0.728 0.264 1.00 0.00 C ATOM 0 H PHE A 580 -7.617 -2.618 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.905 -2.076 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.069 -4.042 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.457 -4.010 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.740 -2.099 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.785 -2.494 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.523 -0.671 0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.561 -0.999 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 580 -7.934 -0.080 1.059 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.008 -4.518 -4.629 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.336 -5.626 -5.301 1.00 0.00 C ATOM 1162 C PHE A 581 -2.925 -6.648 -4.231 1.00 0.00 C ATOM 1163 O PHE A 581 -2.032 -6.361 -3.437 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.151 -5.075 -6.117 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.278 -6.091 -6.832 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.864 -7.142 -7.560 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.125 -5.943 -6.833 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -1.056 -8.033 -8.283 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.940 -6.834 -7.555 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.340 -7.873 -8.287 1.00 0.00 C ATOM 0 H PHE A 581 -3.567 -4.271 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.988 -6.136 -6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.544 -4.382 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.517 -4.496 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.937 -7.264 -7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.578 -5.138 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -1.508 -8.843 -8.837 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.014 -6.721 -7.547 1.00 0.00 H new ATOM 0 HZ PHE A 581 0.956 -8.553 -8.856 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.631 -7.777 -4.131 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.480 -8.790 -3.089 1.00 0.00 C ATOM 1182 C PHE A 582 -2.681 -9.985 -3.608 1.00 0.00 C ATOM 1183 O PHE A 582 -3.147 -10.730 -4.473 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.859 -9.253 -2.584 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.667 -8.279 -1.737 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.208 -6.984 -1.423 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.908 -8.701 -1.226 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.957 -6.149 -0.576 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.669 -7.859 -0.399 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.171 -6.597 -0.040 1.00 0.00 C ATOM 0 H PHE A 582 -4.356 -8.019 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.934 -8.344 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.461 -9.522 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.715 -10.163 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.275 -6.631 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.280 -9.684 -1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.596 -5.160 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.635 -8.182 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.722 -5.973 0.648 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.500 -10.201 -3.035 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.575 -11.283 -3.356 1.00 0.00 C ATOM 1202 C TYR A 583 -0.171 -12.010 -2.057 1.00 0.00 C ATOM 1203 O TYR A 583 -0.485 -11.559 -0.947 1.00 0.00 O ATOM 1204 CB TYR A 583 0.629 -10.691 -4.112 1.00 0.00 C ATOM 1205 CG TYR A 583 1.395 -9.695 -3.263 1.00 0.00 C ATOM 1206 CD1 TYR A 583 2.316 -10.178 -2.318 1.00 0.00 C ATOM 1207 CD2 TYR A 583 1.082 -8.322 -3.302 1.00 0.00 C ATOM 1208 CE1 TYR A 583 2.841 -9.318 -1.344 1.00 0.00 C ATOM 1209 CE2 TYR A 583 1.657 -7.444 -2.365 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.516 -7.947 -1.364 1.00 0.00 C ATOM 1211 OH TYR A 583 3.067 -7.140 -0.419 1.00 0.00 O ATOM 0 H TYR A 583 -1.144 -9.594 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 583 -1.040 -12.026 -4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.297 -11.496 -4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.281 -10.201 -5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.620 -11.214 -2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 583 0.401 -7.944 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 583 3.495 -9.706 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 583 1.442 -6.387 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 583 2.757 -6.220 -0.553 1.00 0.00 H new ATOM 1221 N THR A 584 0.508 -13.152 -2.187 1.00 0.00 N ATOM 1222 CA THR A 584 0.739 -14.094 -1.096 1.00 0.00 C ATOM 1223 C THR A 584 1.812 -13.619 -0.091 1.00 0.00 C ATOM 1224 O THR A 584 2.590 -12.701 -0.369 1.00 0.00 O ATOM 1225 CB THR A 584 1.070 -15.473 -1.698 1.00 0.00 C ATOM 1226 OG1 THR A 584 2.168 -15.397 -2.578 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.106 -16.026 -2.496 1.00 0.00 C ATOM 0 H THR A 584 0.919 -13.451 -3.071 1.00 0.00 H new ATOM 0 HA THR A 584 -0.173 -14.164 -0.504 1.00 0.00 H new ATOM 0 HB THR A 584 1.300 -16.125 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 584 2.356 -16.287 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 584 0.159 -17.000 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 584 -0.972 -16.132 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.348 -15.342 -3.309 1.00 0.00 H new ATOM 1235 N SER A 585 1.945 -14.299 1.060 1.00 0.00 N ATOM 1236 CA SER A 585 3.216 -14.299 1.796 1.00 0.00 C ATOM 1237 C SER A 585 4.311 -14.853 0.881 1.00 0.00 C ATOM 1238 O SER A 585 5.387 -14.262 0.772 1.00 0.00 O ATOM 1239 CB SER A 585 3.094 -15.110 3.098 1.00 0.00 C ATOM 1240 OG SER A 585 4.302 -15.704 3.536 1.00 0.00 O ATOM 0 H SER A 585 1.201 -14.846 1.493 1.00 0.00 H new ATOM 0 HA SER A 585 3.479 -13.281 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 585 2.720 -14.455 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.350 -15.894 2.955 1.00 0.00 H new ATOM 0 HG SER A 585 4.141 -16.198 4.367 1.00 0.00 H new ATOM 1246 N LYS A 586 4.021 -15.987 0.232 1.00 0.00 N ATOM 1247 CA LYS A 586 4.993 -16.793 -0.481 1.00 0.00 C ATOM 1248 C LYS A 586 5.749 -15.999 -1.530 1.00 0.00 C ATOM 1249 O LYS A 586 6.967 -16.162 -1.643 1.00 0.00 O ATOM 1250 CB LYS A 586 4.277 -18.018 -1.055 1.00 0.00 C ATOM 1251 CG LYS A 586 5.249 -19.142 -1.433 1.00 0.00 C ATOM 1252 CD LYS A 586 4.590 -20.520 -1.347 1.00 0.00 C ATOM 1253 CE LYS A 586 4.384 -20.938 0.117 1.00 0.00 C ATOM 1254 NZ LYS A 586 3.899 -22.325 0.223 1.00 0.00 N ATOM 0 H LYS A 586 3.077 -16.371 0.193 1.00 0.00 H new ATOM 0 HA LYS A 586 5.764 -17.129 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.561 -18.392 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 586 3.708 -17.722 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.617 -18.978 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 586 6.114 -19.112 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 586 3.630 -20.501 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 586 5.211 -21.257 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 586 5.324 -20.838 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 586 3.669 -20.265 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 3.771 -22.573 1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 2.990 -22.414 -0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 4.593 -22.969 -0.207 1.00 0.00 H new ATOM 1268 N GLU A 587 5.052 -15.163 -2.288 1.00 0.00 N ATOM 1269 CA GLU A 587 5.652 -14.463 -3.408 1.00 0.00 C ATOM 1270 C GLU A 587 6.658 -13.410 -2.908 1.00 0.00 C ATOM 1271 O GLU A 587 6.243 -12.496 -2.190 1.00 0.00 O ATOM 1272 CB GLU A 587 4.525 -13.861 -4.240 1.00 0.00 C ATOM 1273 CG GLU A 587 5.100 -13.203 -5.486 1.00 0.00 C ATOM 1274 CD GLU A 587 4.030 -13.035 -6.554 1.00 0.00 C ATOM 1275 OE1 GLU A 587 2.996 -12.381 -6.321 1.00 0.00 O ATOM 1276 OE2 GLU A 587 4.252 -13.520 -7.683 1.00 0.00 O ATOM 0 H GLU A 587 4.064 -14.954 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 587 6.223 -15.145 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.814 -14.638 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 587 3.977 -13.127 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.518 -12.230 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 587 5.918 -13.808 -5.877 1.00 0.00 H new ATOM 1283 N PRO A 588 7.965 -13.499 -3.233 1.00 0.00 N ATOM 1284 CA PRO A 588 8.963 -12.571 -2.706 1.00 0.00 C ATOM 1285 C PRO A 588 8.806 -11.145 -3.237 1.00 0.00 C ATOM 1286 O PRO A 588 8.342 -10.904 -4.351 1.00 0.00 O ATOM 1287 CB PRO A 588 10.337 -13.132 -3.078 1.00 0.00 C ATOM 1288 CG PRO A 588 10.075 -14.197 -4.135 1.00 0.00 C ATOM 1289 CD PRO A 588 8.591 -14.539 -4.034 1.00 0.00 C ATOM 0 HA PRO A 588 8.835 -12.492 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 588 10.988 -12.348 -3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 588 10.835 -13.559 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.323 -13.827 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.691 -15.079 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.139 -14.587 -5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.452 -15.517 -3.573 1.00 0.00 H new ATOM 1297 N VAL A 589 9.338 -10.216 -2.451 1.00 0.00 N ATOM 1298 CA VAL A 589 9.367 -8.775 -2.657 1.00 0.00 C ATOM 1299 C VAL A 589 10.108 -8.496 -3.965 1.00 0.00 C ATOM 1300 O VAL A 589 9.625 -7.766 -4.830 1.00 0.00 O ATOM 1301 CB VAL A 589 10.091 -8.109 -1.451 1.00 0.00 C ATOM 1302 CG1 VAL A 589 9.872 -6.591 -1.385 1.00 0.00 C ATOM 1303 CG2 VAL A 589 9.724 -8.695 -0.076 1.00 0.00 C ATOM 0 H VAL A 589 9.799 -10.475 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 589 8.360 -8.364 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 589 11.139 -8.332 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.401 -6.184 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.252 -6.129 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 589 8.807 -6.381 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.276 -8.169 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 589 8.654 -8.578 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 589 9.981 -9.754 -0.051 1.00 0.00 H new ATOM 1313 N ALA A 590 11.262 -9.150 -4.143 1.00 0.00 N ATOM 1314 CA ALA A 590 12.067 -9.025 -5.343 1.00 0.00 C ATOM 1315 C ALA A 590 11.293 -9.454 -6.593 1.00 0.00 C ATOM 1316 O ALA A 590 11.571 -8.923 -7.670 1.00 0.00 O ATOM 1317 CB ALA A 590 13.345 -9.855 -5.186 1.00 0.00 C ATOM 0 H ALA A 590 11.658 -9.783 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 590 12.328 -7.975 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.952 -9.763 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.911 -9.492 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.082 -10.902 -5.031 1.00 0.00 H new ATOM 1323 N SER A 591 10.342 -10.390 -6.485 1.00 0.00 N ATOM 1324 CA SER A 591 9.524 -10.769 -7.606 1.00 0.00 C ATOM 1325 C SER A 591 8.405 -9.752 -7.837 1.00 0.00 C ATOM 1326 O SER A 591 8.254 -9.318 -8.978 1.00 0.00 O ATOM 1327 CB SER A 591 9.017 -12.180 -7.340 1.00 0.00 C ATOM 1328 OG SER A 591 10.067 -13.117 -7.489 1.00 0.00 O ATOM 0 H SER A 591 10.132 -10.891 -5.622 1.00 0.00 H new ATOM 0 HA SER A 591 10.097 -10.771 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.606 -12.242 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 591 8.207 -12.419 -8.030 1.00 0.00 H new ATOM 0 HG SER A 591 9.728 -14.019 -7.313 1.00 0.00 H new ATOM 1334 N ILE A 592 7.629 -9.334 -6.821 1.00 0.00 N ATOM 1335 CA ILE A 592 6.491 -8.450 -7.096 1.00 0.00 C ATOM 1336 C ILE A 592 6.965 -7.111 -7.660 1.00 0.00 C ATOM 1337 O ILE A 592 6.289 -6.550 -8.516 1.00 0.00 O ATOM 1338 CB ILE A 592 5.564 -8.276 -5.877 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.161 -7.381 -4.775 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.168 -9.622 -5.279 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.536 -5.990 -4.819 1.00 0.00 C ATOM 0 H ILE A 592 7.763 -9.583 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 592 5.883 -8.935 -7.860 1.00 0.00 H new ATOM 0 HB ILE A 592 4.677 -7.772 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 592 5.988 -7.833 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.241 -7.305 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.514 -9.461 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.643 -10.213 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.063 -10.155 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 592 5.970 -5.371 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.731 -5.534 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.460 -6.070 -4.666 1.00 0.00 H new ATOM 1353 N ILE A 593 8.145 -6.626 -7.255 1.00 0.00 N ATOM 1354 CA ILE A 593 8.732 -5.420 -7.826 1.00 0.00 C ATOM 1355 C ILE A 593 8.817 -5.561 -9.347 1.00 0.00 C ATOM 1356 O ILE A 593 8.306 -4.682 -10.036 1.00 0.00 O ATOM 1357 CB ILE A 593 10.076 -5.077 -7.142 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.777 -4.504 -5.734 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.879 -4.076 -7.993 1.00 0.00 C ATOM 1360 CD1 ILE A 593 11.022 -4.275 -4.871 1.00 0.00 C ATOM 0 H ILE A 593 8.712 -7.059 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 593 8.090 -4.562 -7.629 1.00 0.00 H new ATOM 0 HB ILE A 593 10.685 -5.976 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.246 -3.558 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 593 9.107 -5.186 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.821 -3.848 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.083 -4.511 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.303 -3.159 -8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.724 -3.873 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.544 -5.221 -4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.685 -3.568 -5.369 1.00 0.00 H new ATOM 1372 N THR A 594 9.383 -6.661 -9.866 1.00 0.00 N ATOM 1373 CA THR A 594 9.532 -6.919 -11.304 1.00 0.00 C ATOM 1374 C THR A 594 8.202 -6.682 -12.047 1.00 0.00 C ATOM 1375 O THR A 594 8.165 -6.161 -13.163 1.00 0.00 O ATOM 1376 CB THR A 594 10.142 -8.332 -11.512 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.278 -8.293 -12.348 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.223 -9.387 -12.129 1.00 0.00 C ATOM 0 H THR A 594 9.757 -7.411 -9.285 1.00 0.00 H new ATOM 0 HA THR A 594 10.230 -6.210 -11.748 1.00 0.00 H new ATOM 0 HB THR A 594 10.366 -8.626 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.636 -9.199 -12.455 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.763 -10.329 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.352 -9.530 -11.489 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.898 -9.055 -13.115 1.00 0.00 H new ATOM 1386 N LYS A 595 7.113 -7.031 -11.367 1.00 0.00 N ATOM 1387 CA LYS A 595 5.737 -7.025 -11.845 1.00 0.00 C ATOM 1388 C LYS A 595 5.176 -5.606 -11.828 1.00 0.00 C ATOM 1389 O LYS A 595 4.606 -5.155 -12.824 1.00 0.00 O ATOM 1390 CB LYS A 595 4.895 -7.961 -10.955 1.00 0.00 C ATOM 1391 CG LYS A 595 3.900 -8.773 -11.789 1.00 0.00 C ATOM 1392 CD LYS A 595 3.029 -9.651 -10.890 1.00 0.00 C ATOM 1393 CE LYS A 595 3.785 -10.889 -10.403 1.00 0.00 C ATOM 1394 NZ LYS A 595 3.017 -11.636 -9.385 1.00 0.00 N ATOM 0 H LYS A 595 7.176 -7.347 -10.399 1.00 0.00 H new ATOM 0 HA LYS A 595 5.702 -7.383 -12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.553 -8.637 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 595 4.356 -7.373 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 595 3.269 -8.099 -12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 595 4.440 -9.397 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 595 2.691 -9.070 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.138 -9.960 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 595 3.997 -11.542 -11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 595 4.745 -10.587 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 3.613 -12.387 -8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 2.720 -10.987 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 2.177 -12.061 -9.827 1.00 0.00 H new ATOM 1408 N LEU A 596 5.340 -4.896 -10.707 1.00 0.00 N ATOM 1409 CA LEU A 596 4.902 -3.511 -10.538 1.00 0.00 C ATOM 1410 C LEU A 596 5.574 -2.611 -11.576 1.00 0.00 C ATOM 1411 O LEU A 596 4.938 -1.719 -12.131 1.00 0.00 O ATOM 1412 CB LEU A 596 5.241 -2.997 -9.128 1.00 0.00 C ATOM 1413 CG LEU A 596 4.500 -3.653 -7.947 1.00 0.00 C ATOM 1414 CD1 LEU A 596 5.059 -3.079 -6.637 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.980 -3.466 -8.000 1.00 0.00 C ATOM 0 H LEU A 596 5.791 -5.278 -9.876 1.00 0.00 H new ATOM 0 HA LEU A 596 3.821 -3.483 -10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.312 -3.125 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 596 5.041 -1.926 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 596 4.671 -4.728 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 596 4.544 -3.534 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 596 6.125 -3.295 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.905 -2.000 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 596 2.523 -3.953 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.743 -2.402 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.591 -3.910 -8.916 1.00 0.00 H new ATOM 1427 N ASN A 597 6.844 -2.866 -11.892 1.00 0.00 N ATOM 1428 CA ASN A 597 7.577 -2.092 -12.895 1.00 0.00 C ATOM 1429 C ASN A 597 6.883 -2.172 -14.255 1.00 0.00 C ATOM 1430 O ASN A 597 6.925 -1.224 -15.031 1.00 0.00 O ATOM 1431 CB ASN A 597 9.018 -2.588 -13.056 1.00 0.00 C ATOM 1432 CG ASN A 597 9.800 -2.640 -11.757 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.746 -1.735 -10.927 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.525 -3.721 -11.556 1.00 0.00 N ATOM 0 H ASN A 597 7.392 -3.611 -11.462 1.00 0.00 H new ATOM 0 HA ASN A 597 7.593 -1.061 -12.542 1.00 0.00 H new ATOM 0 HB2 ASN A 597 9.002 -3.584 -13.499 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.540 -1.936 -13.757 1.00 0.00 H new ATOM 0 HD21 ASN A 597 11.060 -3.823 -10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.551 -4.456 -12.262 1.00 0.00 H new ATOM 1441 N SER A 598 6.245 -3.302 -14.563 1.00 0.00 N ATOM 1442 CA SER A 598 5.442 -3.479 -15.763 1.00 0.00 C ATOM 1443 C SER A 598 4.107 -2.711 -15.698 1.00 0.00 C ATOM 1444 O SER A 598 3.591 -2.328 -16.747 1.00 0.00 O ATOM 1445 CB SER A 598 5.215 -4.987 -15.951 1.00 0.00 C ATOM 1446 OG SER A 598 5.805 -5.464 -17.141 1.00 0.00 O ATOM 0 H SER A 598 6.276 -4.132 -13.971 1.00 0.00 H new ATOM 0 HA SER A 598 5.973 -3.063 -16.619 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.630 -5.526 -15.099 1.00 0.00 H new ATOM 0 HB3 SER A 598 4.145 -5.194 -15.968 1.00 0.00 H new ATOM 0 HG SER A 598 5.641 -6.427 -17.225 1.00 0.00 H new ATOM 1452 N LEU A 599 3.548 -2.435 -14.514 1.00 0.00 N ATOM 1453 CA LEU A 599 2.303 -1.692 -14.341 1.00 0.00 C ATOM 1454 C LEU A 599 2.559 -0.229 -14.665 1.00 0.00 C ATOM 1455 O LEU A 599 1.774 0.367 -15.397 1.00 0.00 O ATOM 1456 CB LEU A 599 1.755 -1.837 -12.910 1.00 0.00 C ATOM 1457 CG LEU A 599 1.345 -3.259 -12.502 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.956 -3.232 -11.025 1.00 0.00 C ATOM 1459 CD2 LEU A 599 0.158 -3.776 -13.322 1.00 0.00 C ATOM 0 H LEU A 599 3.962 -2.731 -13.630 1.00 0.00 H new ATOM 0 HA LEU A 599 1.551 -2.098 -15.017 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.512 -1.481 -12.211 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.890 -1.183 -12.803 1.00 0.00 H new ATOM 0 HG LEU A 599 2.186 -3.928 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.660 -4.232 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.807 -2.901 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.123 -2.544 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.096 -4.785 -12.998 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.700 -3.120 -13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.425 -3.791 -14.379 1.00 0.00 H new ATOM 1471 N ASN A 600 3.667 0.339 -14.168 1.00 0.00 N ATOM 1472 CA ASN A 600 4.046 1.751 -14.361 1.00 0.00 C ATOM 1473 C ASN A 600 3.089 2.713 -13.664 1.00 0.00 C ATOM 1474 O ASN A 600 3.147 3.926 -13.873 1.00 0.00 O ATOM 1475 CB ASN A 600 4.254 2.114 -15.845 1.00 0.00 C ATOM 1476 CG ASN A 600 5.385 1.308 -16.447 1.00 0.00 C ATOM 1477 OD1 ASN A 600 6.524 1.757 -16.432 1.00 0.00 O ATOM 1478 ND2 ASN A 600 5.136 0.097 -16.916 1.00 0.00 N ATOM 0 H ASN A 600 4.342 -0.181 -13.607 1.00 0.00 H new ATOM 0 HA ASN A 600 5.015 1.869 -13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 600 3.335 1.929 -16.401 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.472 3.178 -15.936 1.00 0.00 H new ATOM 0 HD21 ASN A 600 5.899 -0.479 -17.273 1.00 0.00 H new ATOM 0 HD22 ASN A 600 4.181 -0.262 -16.921 1.00 0.00 H new ATOM 1485 N GLU A 601 2.214 2.180 -12.819 1.00 0.00 N ATOM 1486 CA GLU A 601 1.180 2.935 -12.164 1.00 0.00 C ATOM 1487 C GLU A 601 1.737 3.512 -10.858 1.00 0.00 C ATOM 1488 O GLU A 601 2.534 2.854 -10.180 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.034 2.039 -11.893 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.558 1.357 -13.166 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.926 0.732 -12.906 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.950 1.438 -13.058 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -1.991 -0.463 -12.536 1.00 0.00 O ATOM 0 H GLU A 601 2.213 1.190 -12.573 1.00 0.00 H new ATOM 0 HA GLU A 601 0.855 3.754 -12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.237 1.277 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.831 2.637 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.631 2.085 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.144 0.590 -13.491 1.00 0.00 H new ATOM 1500 N PRO A 602 1.322 4.722 -10.467 1.00 0.00 N ATOM 1501 CA PRO A 602 1.722 5.327 -9.214 1.00 0.00 C ATOM 1502 C PRO A 602 1.051 4.599 -8.054 1.00 0.00 C ATOM 1503 O PRO A 602 -0.161 4.378 -8.059 1.00 0.00 O ATOM 1504 CB PRO A 602 1.300 6.789 -9.328 1.00 0.00 C ATOM 1505 CG PRO A 602 0.121 6.766 -10.300 1.00 0.00 C ATOM 1506 CD PRO A 602 0.397 5.564 -11.196 1.00 0.00 C ATOM 0 HA PRO A 602 2.793 5.259 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 602 1.009 7.196 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 602 2.113 7.410 -9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.827 6.660 -9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.063 7.688 -10.878 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.524 5.027 -11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.824 5.878 -12.148 1.00 0.00 H new ATOM 1514 N LEU A 603 1.841 4.236 -7.046 1.00 0.00 N ATOM 1515 CA LEU A 603 1.362 3.434 -5.923 1.00 0.00 C ATOM 1516 C LEU A 603 1.305 4.272 -4.649 1.00 0.00 C ATOM 1517 O LEU A 603 1.930 5.341 -4.563 1.00 0.00 O ATOM 1518 CB LEU A 603 2.269 2.214 -5.699 1.00 0.00 C ATOM 1519 CG LEU A 603 2.524 1.344 -6.935 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.391 0.153 -6.538 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.244 0.834 -7.586 1.00 0.00 C ATOM 0 H LEU A 603 2.827 4.488 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 603 0.357 3.087 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.229 2.562 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.825 1.591 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 603 3.027 1.973 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 603 3.576 -0.470 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.341 0.511 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 603 2.877 -0.434 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.495 0.225 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 603 0.687 0.231 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.633 1.680 -7.900 1.00 0.00 H new ATOM 1533 N VAL A 604 0.590 3.774 -3.641 1.00 0.00 N ATOM 1534 CA VAL A 604 0.680 4.270 -2.275 1.00 0.00 C ATOM 1535 C VAL A 604 0.554 3.081 -1.323 1.00 0.00 C ATOM 1536 O VAL A 604 -0.511 2.492 -1.159 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.323 5.416 -2.034 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.772 5.010 -2.280 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.230 5.987 -0.613 1.00 0.00 C ATOM 0 H VAL A 604 -0.073 3.008 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 604 1.650 4.728 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 604 -0.037 6.177 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.425 5.862 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.888 4.684 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -2.040 4.193 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.957 6.791 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.440 5.199 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.773 6.377 -0.443 1.00 0.00 H new ATOM 1549 N THR A 605 1.653 2.700 -0.685 1.00 0.00 N ATOM 1550 CA THR A 605 1.667 1.743 0.409 1.00 0.00 C ATOM 1551 C THR A 605 2.925 1.965 1.246 1.00 0.00 C ATOM 1552 O THR A 605 3.737 2.842 0.957 1.00 0.00 O ATOM 1553 CB THR A 605 1.431 0.330 -0.145 1.00 0.00 C ATOM 1554 OG1 THR A 605 0.428 -0.322 0.599 1.00 0.00 O ATOM 1555 CG2 THR A 605 2.619 -0.617 -0.238 1.00 0.00 C ATOM 0 H THR A 605 2.579 3.057 -0.920 1.00 0.00 H new ATOM 0 HA THR A 605 0.846 1.887 1.112 1.00 0.00 H new ATOM 0 HB THR A 605 1.154 0.536 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 605 -0.049 -0.954 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 605 2.291 -1.573 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.379 -0.185 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 605 3.039 -0.773 0.756 1.00 0.00 H new ATOM 1563 N MET A 606 3.071 1.223 2.332 1.00 0.00 N ATOM 1564 CA MET A 606 4.294 1.224 3.148 1.00 0.00 C ATOM 1565 C MET A 606 5.403 0.414 2.430 1.00 0.00 C ATOM 1566 O MET A 606 5.185 0.060 1.274 1.00 0.00 O ATOM 1567 CB MET A 606 3.905 0.838 4.585 1.00 0.00 C ATOM 1568 CG MET A 606 3.706 -0.652 4.640 1.00 0.00 C ATOM 1569 SD MET A 606 2.829 -1.290 6.092 1.00 0.00 S ATOM 1570 CE MET A 606 1.113 -0.995 5.602 1.00 0.00 C ATOM 0 H MET A 606 2.346 0.597 2.682 1.00 0.00 H new ATOM 0 HA MET A 606 4.761 2.203 3.254 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.684 1.142 5.283 1.00 0.00 H new ATOM 0 HB3 MET A 606 2.992 1.354 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 606 3.159 -0.958 3.748 1.00 0.00 H new ATOM 0 HG3 MET A 606 4.684 -1.130 4.593 1.00 0.00 H new ATOM 0 HE1 MET A 606 0.455 -1.184 6.450 1.00 0.00 H new ATOM 0 HE2 MET A 606 1.000 0.040 5.279 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.849 -1.662 4.782 1.00 0.00 H new ATOM 1580 N PRO A 607 6.612 0.184 2.987 1.00 0.00 N ATOM 1581 CA PRO A 607 7.730 -0.405 2.246 1.00 0.00 C ATOM 1582 C PRO A 607 7.594 -1.906 1.911 1.00 0.00 C ATOM 1583 O PRO A 607 8.566 -2.648 1.991 1.00 0.00 O ATOM 1584 CB PRO A 607 8.984 -0.098 3.079 1.00 0.00 C ATOM 1585 CG PRO A 607 8.582 0.750 4.271 1.00 0.00 C ATOM 1586 CD PRO A 607 7.068 0.810 4.208 1.00 0.00 C ATOM 0 HA PRO A 607 7.772 0.038 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.450 -1.024 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.721 0.428 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.922 0.305 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.020 1.746 4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.637 0.304 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 607 6.732 1.846 4.245 1.00 0.00 H new ATOM 1594 N ILE A 608 6.415 -2.335 1.455 1.00 0.00 N ATOM 1595 CA ILE A 608 6.023 -3.668 1.030 1.00 0.00 C ATOM 1596 C ILE A 608 6.647 -4.704 1.977 1.00 0.00 C ATOM 1597 O ILE A 608 6.162 -4.858 3.104 1.00 0.00 O ATOM 1598 CB ILE A 608 6.262 -3.819 -0.500 1.00 0.00 C ATOM 1599 CG1 ILE A 608 5.470 -2.724 -1.264 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.833 -5.204 -1.000 1.00 0.00 C ATOM 1601 CD1 ILE A 608 5.410 -2.882 -2.787 1.00 0.00 C ATOM 0 H ILE A 608 5.635 -1.684 1.368 1.00 0.00 H new ATOM 0 HA ILE A 608 4.954 -3.856 1.126 1.00 0.00 H new ATOM 0 HB ILE A 608 7.330 -3.705 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 608 4.450 -2.705 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 608 5.914 -1.755 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 608 6.014 -5.276 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.409 -5.972 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.771 -5.350 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 608 4.833 -2.063 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 608 6.421 -2.866 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 608 4.934 -3.830 -3.036 1.00 0.00 H new ATOM 1613 N GLY A 609 7.734 -5.359 1.568 1.00 0.00 N ATOM 1614 CA GLY A 609 8.480 -6.302 2.372 1.00 0.00 C ATOM 1615 C GLY A 609 9.244 -5.564 3.452 1.00 0.00 C ATOM 1616 O GLY A 609 10.417 -5.281 3.284 1.00 0.00 O ATOM 0 H GLY A 609 8.125 -5.237 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 609 7.801 -7.026 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.171 -6.863 1.743 1.00 0.00 H new ATOM 1620 N TYR A 610 8.585 -5.254 4.558 1.00 0.00 N ATOM 1621 CA TYR A 610 9.167 -4.595 5.717 1.00 0.00 C ATOM 1622 C TYR A 610 8.897 -5.371 7.006 1.00 0.00 C ATOM 1623 O TYR A 610 9.766 -5.426 7.871 1.00 0.00 O ATOM 1624 CB TYR A 610 8.636 -3.153 5.758 1.00 0.00 C ATOM 1625 CG TYR A 610 8.984 -2.342 6.992 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.223 -2.500 7.643 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.023 -1.469 7.529 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.475 -1.848 8.861 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.277 -0.793 8.734 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.506 -0.978 9.408 1.00 0.00 C ATOM 1631 OH TYR A 610 9.781 -0.293 10.553 1.00 0.00 O ATOM 0 H TYR A 610 7.594 -5.462 4.677 1.00 0.00 H new ATOM 0 HA TYR A 610 10.253 -4.568 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.015 -2.624 4.883 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.550 -3.186 5.665 1.00 0.00 H new ATOM 0 HD1 TYR A 610 10.984 -3.127 7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.086 -1.317 7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.409 -2.012 9.379 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.531 -0.130 9.147 1.00 0.00 H new ATOM 0 HH TYR A 610 9.011 0.262 10.795 1.00 0.00 H new ATOM 1641 N VAL A 611 7.728 -6.001 7.134 1.00 0.00 N ATOM 1642 CA VAL A 611 7.213 -6.423 8.435 1.00 0.00 C ATOM 1643 C VAL A 611 6.686 -7.856 8.387 1.00 0.00 C ATOM 1644 O VAL A 611 7.239 -8.735 9.043 1.00 0.00 O ATOM 1645 CB VAL A 611 6.229 -5.389 9.008 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.981 -4.243 9.708 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.335 -4.791 7.921 1.00 0.00 C ATOM 0 H VAL A 611 7.119 -6.230 6.349 1.00 0.00 H new ATOM 0 HA VAL A 611 8.036 -6.453 9.149 1.00 0.00 H new ATOM 0 HB VAL A 611 5.606 -5.920 9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.263 -3.525 10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 611 7.580 -4.646 10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.634 -3.745 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 611 4.655 -4.066 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 611 5.954 -4.296 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 611 4.758 -5.585 7.447 1.00 0.00 H new ATOM 1657 N THR A 612 5.688 -8.130 7.547 1.00 0.00 N ATOM 1658 CA THR A 612 5.141 -9.462 7.288 1.00 0.00 C ATOM 1659 C THR A 612 6.261 -10.441 6.890 1.00 0.00 C ATOM 1660 O THR A 612 6.408 -11.482 7.521 1.00 0.00 O ATOM 1661 CB THR A 612 3.978 -9.367 6.272 1.00 0.00 C ATOM 1662 OG1 THR A 612 3.760 -10.569 5.566 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.206 -8.293 5.201 1.00 0.00 C ATOM 0 H THR A 612 5.220 -7.402 7.007 1.00 0.00 H new ATOM 0 HA THR A 612 4.710 -9.877 8.199 1.00 0.00 H new ATOM 0 HB THR A 612 3.119 -9.122 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.634 -11.304 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.357 -8.274 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 612 4.309 -7.319 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.115 -8.522 4.644 1.00 0.00 H new ATOM 1671 N HIS A 613 7.127 -10.110 5.919 1.00 0.00 N ATOM 1672 CA HIS A 613 8.222 -11.030 5.551 1.00 0.00 C ATOM 1673 C HIS A 613 9.288 -11.100 6.661 1.00 0.00 C ATOM 1674 O HIS A 613 10.211 -11.906 6.565 1.00 0.00 O ATOM 1675 CB HIS A 613 8.831 -10.683 4.167 1.00 0.00 C ATOM 1676 CG HIS A 613 9.581 -11.816 3.468 1.00 0.00 C ATOM 1677 ND1 HIS A 613 10.429 -12.743 4.052 1.00 0.00 N ATOM 1678 CD2 HIS A 613 9.577 -12.079 2.122 1.00 0.00 C ATOM 1679 CE1 HIS A 613 10.896 -13.560 3.096 1.00 0.00 C ATOM 1680 NE2 HIS A 613 10.401 -13.170 1.908 1.00 0.00 N ATOM 0 H HIS A 613 7.097 -9.240 5.387 1.00 0.00 H new ATOM 0 HA HIS A 613 7.795 -12.028 5.454 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.028 -10.346 3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.514 -9.843 4.292 1.00 0.00 H new ATOM 0 HD1 HIS A 613 10.660 -12.796 5.044 1.00 0.00 H new ATOM 0 HD2 HIS A 613 9.030 -11.534 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 613 11.562 -14.396 3.255 1.00 0.00 H new ATOM 1689 N GLY A 614 9.223 -10.272 7.704 1.00 0.00 N ATOM 1690 CA GLY A 614 10.314 -10.132 8.654 1.00 0.00 C ATOM 1691 C GLY A 614 11.559 -9.620 7.945 1.00 0.00 C ATOM 1692 O GLY A 614 12.645 -10.174 8.111 1.00 0.00 O ATOM 0 H GLY A 614 8.415 -9.685 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.029 -9.443 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.523 -11.093 9.125 1.00 0.00 H new ATOM 1696 N PHE A 615 11.382 -8.613 7.087 1.00 0.00 N ATOM 1697 CA PHE A 615 12.501 -7.806 6.622 1.00 0.00 C ATOM 1698 C PHE A 615 12.867 -6.813 7.733 1.00 0.00 C ATOM 1699 O PHE A 615 12.230 -6.749 8.788 1.00 0.00 O ATOM 1700 CB PHE A 615 12.135 -7.129 5.286 1.00 0.00 C ATOM 1701 CG PHE A 615 12.349 -7.956 4.021 1.00 0.00 C ATOM 1702 CD1 PHE A 615 12.383 -9.366 4.037 1.00 0.00 C ATOM 1703 CD2 PHE A 615 12.530 -7.292 2.791 1.00 0.00 C ATOM 1704 CE1 PHE A 615 12.615 -10.084 2.851 1.00 0.00 C ATOM 1705 CE2 PHE A 615 12.774 -8.002 1.608 1.00 0.00 C ATOM 1706 CZ PHE A 615 12.808 -9.402 1.639 1.00 0.00 C ATOM 0 H PHE A 615 10.476 -8.341 6.704 1.00 0.00 H new ATOM 0 HA PHE A 615 13.381 -8.416 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.086 -6.836 5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 615 12.719 -6.213 5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 615 12.230 -9.897 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.480 -6.214 2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 615 12.645 -11.163 2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 615 12.935 -7.474 0.680 1.00 0.00 H new ATOM 0 HZ PHE A 615 12.983 -9.958 0.729 1.00 0.00 H new ATOM 1716 N ASN A 616 13.908 -6.022 7.500 1.00 0.00 N ATOM 1717 CA ASN A 616 14.222 -4.847 8.306 1.00 0.00 C ATOM 1718 C ASN A 616 13.809 -3.612 7.527 1.00 0.00 C ATOM 1719 O ASN A 616 13.619 -3.705 6.316 1.00 0.00 O ATOM 1720 CB ASN A 616 15.723 -4.789 8.569 1.00 0.00 C ATOM 1721 CG ASN A 616 16.173 -5.945 9.448 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.809 -6.007 10.616 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.998 -6.858 8.965 1.00 0.00 N ATOM 0 H ASN A 616 14.566 -6.180 6.737 1.00 0.00 H new ATOM 0 HA ASN A 616 13.693 -4.897 9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.262 -4.818 7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 616 15.974 -3.844 9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 616 17.331 -7.613 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 616 17.302 -6.807 7.993 1.00 0.00 H new ATOM 1730 N LEU A 617 13.763 -2.440 8.169 1.00 0.00 N ATOM 1731 CA LEU A 617 13.534 -1.176 7.460 1.00 0.00 C ATOM 1732 C LEU A 617 14.624 -0.968 6.407 1.00 0.00 C ATOM 1733 O LEU A 617 14.344 -0.484 5.311 1.00 0.00 O ATOM 1734 CB LEU A 617 13.475 0.006 8.451 1.00 0.00 C ATOM 1735 CG LEU A 617 12.970 1.323 7.818 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.495 1.228 7.411 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.113 2.496 8.799 1.00 0.00 C ATOM 0 H LEU A 617 13.881 -2.340 9.177 1.00 0.00 H new ATOM 0 HA LEU A 617 12.570 -1.223 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 617 12.823 -0.261 9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.469 0.171 8.866 1.00 0.00 H new ATOM 0 HG LEU A 617 13.583 1.493 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.178 2.173 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.370 0.427 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 617 10.888 1.016 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 617 12.751 3.410 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 617 12.528 2.293 9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.162 2.618 9.069 1.00 0.00 H new ATOM 1749 N GLU A 618 15.849 -1.396 6.730 1.00 0.00 N ATOM 1750 CA GLU A 618 16.990 -1.363 5.831 1.00 0.00 C ATOM 1751 C GLU A 618 16.710 -2.228 4.609 1.00 0.00 C ATOM 1752 O GLU A 618 16.740 -1.729 3.489 1.00 0.00 O ATOM 1753 CB GLU A 618 18.271 -1.853 6.519 1.00 0.00 C ATOM 1754 CG GLU A 618 18.505 -1.217 7.884 1.00 0.00 C ATOM 1755 CD GLU A 618 19.967 -1.267 8.328 1.00 0.00 C ATOM 1756 OE1 GLU A 618 20.589 -2.355 8.327 1.00 0.00 O ATOM 1757 OE2 GLU A 618 20.523 -0.203 8.681 1.00 0.00 O ATOM 0 H GLU A 618 16.072 -1.783 7.647 1.00 0.00 H new ATOM 0 HA GLU A 618 17.143 -0.327 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.221 -2.936 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.125 -1.640 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 618 18.176 -0.178 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 618 17.889 -1.726 8.625 1.00 0.00 H new ATOM 1764 N GLU A 619 16.455 -3.524 4.808 1.00 0.00 N ATOM 1765 CA GLU A 619 16.289 -4.473 3.707 1.00 0.00 C ATOM 1766 C GLU A 619 15.087 -4.113 2.851 1.00 0.00 C ATOM 1767 O GLU A 619 15.137 -4.282 1.633 1.00 0.00 O ATOM 1768 CB GLU A 619 16.095 -5.902 4.203 1.00 0.00 C ATOM 1769 CG GLU A 619 17.321 -6.396 4.969 1.00 0.00 C ATOM 1770 CD GLU A 619 17.147 -7.876 5.267 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.302 -8.686 4.322 1.00 0.00 O ATOM 1772 OE2 GLU A 619 16.765 -8.184 6.418 1.00 0.00 O ATOM 0 H GLU A 619 16.358 -3.942 5.733 1.00 0.00 H new ATOM 0 HA GLU A 619 17.206 -4.414 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.218 -5.949 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 619 15.904 -6.560 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.224 -6.233 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.438 -5.835 5.896 1.00 0.00 H new ATOM 1779 N ALA A 620 14.028 -3.614 3.489 1.00 0.00 N ATOM 1780 CA ALA A 620 12.824 -3.149 2.844 1.00 0.00 C ATOM 1781 C ALA A 620 13.171 -2.015 1.894 1.00 0.00 C ATOM 1782 O ALA A 620 12.861 -2.109 0.713 1.00 0.00 O ATOM 1783 CB ALA A 620 11.819 -2.711 3.907 1.00 0.00 C ATOM 0 H ALA A 620 13.995 -3.524 4.504 1.00 0.00 H new ATOM 0 HA ALA A 620 12.368 -3.949 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 620 10.908 -2.359 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.583 -3.555 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.248 -1.905 4.503 1.00 0.00 H new ATOM 1789 N ALA A 621 13.851 -0.972 2.378 1.00 0.00 N ATOM 1790 CA ALA A 621 14.361 0.115 1.551 1.00 0.00 C ATOM 1791 C ALA A 621 15.279 -0.416 0.443 1.00 0.00 C ATOM 1792 O ALA A 621 15.122 -0.056 -0.721 1.00 0.00 O ATOM 1793 CB ALA A 621 15.127 1.101 2.439 1.00 0.00 C ATOM 0 H ALA A 621 14.063 -0.861 3.369 1.00 0.00 H new ATOM 0 HA ALA A 621 13.520 0.619 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.512 1.917 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.457 1.502 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.958 0.586 2.922 1.00 0.00 H new ATOM 1799 N ARG A 622 16.243 -1.273 0.782 1.00 0.00 N ATOM 1800 CA ARG A 622 17.230 -1.819 -0.151 1.00 0.00 C ATOM 1801 C ARG A 622 16.544 -2.568 -1.289 1.00 0.00 C ATOM 1802 O ARG A 622 16.948 -2.403 -2.441 1.00 0.00 O ATOM 1803 CB ARG A 622 18.222 -2.706 0.606 1.00 0.00 C ATOM 1804 CG ARG A 622 19.260 -1.856 1.362 1.00 0.00 C ATOM 1805 CD ARG A 622 19.724 -2.540 2.653 1.00 0.00 C ATOM 1806 NE ARG A 622 21.166 -2.406 2.901 1.00 0.00 N ATOM 1807 CZ ARG A 622 21.805 -1.409 3.522 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.168 -0.284 3.849 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.088 -1.567 3.804 1.00 0.00 N ATOM 0 H ARG A 622 16.362 -1.615 1.736 1.00 0.00 H new ATOM 0 HA ARG A 622 17.789 -1.000 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.684 -3.340 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.730 -3.368 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.120 -1.674 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.829 -0.883 1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.177 -2.117 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.468 -3.599 2.606 1.00 0.00 H new ATOM 0 HE ARG A 622 21.752 -3.167 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.179 -0.175 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 622 21.670 0.467 4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 622 23.564 -2.432 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 622 23.601 -0.823 4.277 1.00 0.00 H new ATOM 1823 N CYS A 623 15.502 -3.339 -0.978 1.00 0.00 N ATOM 1824 CA CYS A 623 14.695 -4.048 -1.956 1.00 0.00 C ATOM 1825 C CYS A 623 13.879 -3.033 -2.754 1.00 0.00 C ATOM 1826 O CYS A 623 13.906 -3.047 -3.978 1.00 0.00 O ATOM 1827 CB CYS A 623 13.794 -5.072 -1.243 1.00 0.00 C ATOM 1828 SG CYS A 623 13.207 -6.323 -2.422 1.00 0.00 S ATOM 0 H CYS A 623 15.193 -3.488 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 623 15.332 -4.598 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.347 -5.554 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.944 -4.564 -0.788 1.00 0.00 H new ATOM 0 HG CYS A 623 13.226 -7.494 -1.857 1.00 0.00 H new ATOM 1834 N MET A 624 13.184 -2.123 -2.070 1.00 0.00 N ATOM 1835 CA MET A 624 12.294 -1.123 -2.650 1.00 0.00 C ATOM 1836 C MET A 624 12.997 -0.248 -3.682 1.00 0.00 C ATOM 1837 O MET A 624 12.382 0.083 -4.692 1.00 0.00 O ATOM 1838 CB MET A 624 11.715 -0.254 -1.532 1.00 0.00 C ATOM 1839 CG MET A 624 10.509 -0.917 -0.849 1.00 0.00 C ATOM 1840 SD MET A 624 8.922 -0.595 -1.659 1.00 0.00 S ATOM 1841 CE MET A 624 8.779 1.177 -1.297 1.00 0.00 C ATOM 0 H MET A 624 13.230 -2.062 -1.053 1.00 0.00 H new ATOM 0 HA MET A 624 11.495 -1.650 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.488 -0.057 -0.789 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.414 0.710 -1.942 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.673 -1.994 -0.814 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.454 -0.569 0.182 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.751 1.500 -1.461 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.056 1.360 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.444 1.737 -1.954 1.00 0.00 H new ATOM 1851 N ARG A 625 14.274 0.093 -3.485 1.00 0.00 N ATOM 1852 CA ARG A 625 15.110 0.791 -4.467 1.00 0.00 C ATOM 1853 C ARG A 625 15.144 0.098 -5.834 1.00 0.00 C ATOM 1854 O ARG A 625 15.362 0.759 -6.847 1.00 0.00 O ATOM 1855 CB ARG A 625 16.524 0.950 -3.888 1.00 0.00 C ATOM 1856 CG ARG A 625 16.570 1.994 -2.758 1.00 0.00 C ATOM 1857 CD ARG A 625 17.788 1.818 -1.840 1.00 0.00 C ATOM 1858 NE ARG A 625 19.084 2.011 -2.513 1.00 0.00 N ATOM 1859 CZ ARG A 625 20.278 1.734 -1.964 1.00 0.00 C ATOM 1860 NH1 ARG A 625 20.385 1.536 -0.654 1.00 0.00 N ATOM 1861 NH2 ARG A 625 21.353 1.626 -2.732 1.00 0.00 N ATOM 0 H ARG A 625 14.768 -0.114 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 625 14.668 1.770 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.870 -0.011 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.210 1.245 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.589 2.993 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.659 1.922 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.711 2.525 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 625 17.761 0.818 -1.407 1.00 0.00 H new ATOM 0 HE ARG A 625 19.074 2.381 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 625 19.558 1.594 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 625 21.294 1.326 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 625 21.274 1.753 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 625 22.259 1.416 -2.314 1.00 0.00 H new ATOM 1875 N SER A 626 14.918 -1.214 -5.901 1.00 0.00 N ATOM 1876 CA SER A 626 14.799 -1.964 -7.145 1.00 0.00 C ATOM 1877 C SER A 626 13.582 -1.504 -7.968 1.00 0.00 C ATOM 1878 O SER A 626 13.572 -1.684 -9.180 1.00 0.00 O ATOM 1879 CB SER A 626 14.705 -3.454 -6.785 1.00 0.00 C ATOM 1880 OG SER A 626 14.874 -4.309 -7.894 1.00 0.00 O ATOM 0 H SER A 626 14.810 -1.796 -5.070 1.00 0.00 H new ATOM 0 HA SER A 626 15.672 -1.786 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.462 -3.688 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 626 13.734 -3.650 -6.329 1.00 0.00 H new ATOM 0 HG SER A 626 14.805 -5.242 -7.601 1.00 0.00 H new ATOM 1886 N LEU A 627 12.556 -0.917 -7.346 1.00 0.00 N ATOM 1887 CA LEU A 627 11.333 -0.495 -8.020 1.00 0.00 C ATOM 1888 C LEU A 627 11.606 0.692 -8.940 1.00 0.00 C ATOM 1889 O LEU A 627 12.410 1.576 -8.627 1.00 0.00 O ATOM 1890 CB LEU A 627 10.283 -0.147 -6.958 1.00 0.00 C ATOM 1891 CG LEU A 627 8.860 0.081 -7.492 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.145 -1.211 -7.890 1.00 0.00 C ATOM 1893 CD2 LEU A 627 8.049 0.748 -6.383 1.00 0.00 C ATOM 0 H LEU A 627 12.555 -0.720 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 627 10.957 -1.305 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.253 -0.951 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.605 0.752 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 627 8.940 0.695 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.146 -0.976 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.711 -1.714 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 627 8.067 -1.866 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.031 0.924 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 627 8.026 0.098 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.510 1.699 -6.116 1.00 0.00 H new ATOM 1905 N LYS A 628 10.914 0.715 -10.075 1.00 0.00 N ATOM 1906 CA LYS A 628 11.138 1.623 -11.194 1.00 0.00 C ATOM 1907 C LYS A 628 9.967 2.596 -11.347 1.00 0.00 C ATOM 1908 O LYS A 628 10.170 3.756 -11.710 1.00 0.00 O ATOM 1909 CB LYS A 628 11.304 0.762 -12.460 1.00 0.00 C ATOM 1910 CG LYS A 628 12.410 -0.313 -12.361 1.00 0.00 C ATOM 1911 CD LYS A 628 13.823 0.276 -12.508 1.00 0.00 C ATOM 1912 CE LYS A 628 14.445 0.554 -11.132 1.00 0.00 C ATOM 1913 NZ LYS A 628 15.698 1.327 -11.231 1.00 0.00 N ATOM 0 H LYS A 628 10.144 0.069 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 628 12.031 2.224 -11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.356 0.271 -12.678 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.525 1.416 -13.303 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.331 -0.823 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.251 -1.064 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.454 -0.417 -13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.778 1.200 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.731 1.101 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 628 14.643 -0.392 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 16.081 1.490 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 16.390 0.795 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 15.507 2.241 -11.689 1.00 0.00 H new ATOM 1927 N ALA A 629 8.753 2.136 -11.044 1.00 0.00 N ATOM 1928 CA ALA A 629 7.537 2.932 -11.064 1.00 0.00 C ATOM 1929 C ALA A 629 7.348 3.668 -9.720 1.00 0.00 C ATOM 1930 O ALA A 629 7.811 3.167 -8.691 1.00 0.00 O ATOM 1931 CB ALA A 629 6.382 1.966 -11.342 1.00 0.00 C ATOM 0 H ALA A 629 8.589 1.167 -10.770 1.00 0.00 H new ATOM 0 HA ALA A 629 7.581 3.702 -11.835 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.443 2.519 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.540 1.477 -12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.339 1.214 -10.554 1.00 0.00 H new ATOM 1937 N PRO A 630 6.632 4.809 -9.677 1.00 0.00 N ATOM 1938 CA PRO A 630 6.457 5.614 -8.467 1.00 0.00 C ATOM 1939 C PRO A 630 5.722 4.903 -7.332 1.00 0.00 C ATOM 1940 O PRO A 630 4.718 4.228 -7.556 1.00 0.00 O ATOM 1941 CB PRO A 630 5.697 6.877 -8.881 1.00 0.00 C ATOM 1942 CG PRO A 630 5.228 6.622 -10.309 1.00 0.00 C ATOM 1943 CD PRO A 630 6.119 5.509 -10.839 1.00 0.00 C ATOM 0 HA PRO A 630 7.444 5.833 -8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.852 7.061 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.340 7.756 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.179 6.328 -10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.320 7.521 -10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.556 4.833 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.933 5.915 -11.439 1.00 0.00 H new ATOM 1951 N ALA A 631 6.159 5.136 -6.095 1.00 0.00 N ATOM 1952 CA ALA A 631 5.670 4.511 -4.881 1.00 0.00 C ATOM 1953 C ALA A 631 5.893 5.461 -3.708 1.00 0.00 C ATOM 1954 O ALA A 631 7.031 5.749 -3.337 1.00 0.00 O ATOM 1955 CB ALA A 631 6.419 3.198 -4.649 1.00 0.00 C ATOM 0 H ALA A 631 6.906 5.805 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 631 4.605 4.298 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 631 6.053 2.727 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.253 2.530 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.486 3.400 -4.550 1.00 0.00 H new ATOM 1961 N VAL A 632 4.806 5.960 -3.128 1.00 0.00 N ATOM 1962 CA VAL A 632 4.833 6.602 -1.809 1.00 0.00 C ATOM 1963 C VAL A 632 5.220 5.543 -0.751 1.00 0.00 C ATOM 1964 O VAL A 632 5.084 4.345 -1.016 1.00 0.00 O ATOM 1965 CB VAL A 632 3.468 7.293 -1.585 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.222 7.820 -0.168 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.318 8.497 -2.528 1.00 0.00 C ATOM 0 H VAL A 632 3.880 5.933 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 632 5.587 7.385 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 632 2.743 6.503 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.238 8.286 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.268 6.993 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.985 8.557 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.352 8.973 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.116 9.214 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.380 8.159 -3.562 1.00 0.00 H new ATOM 1977 N VAL A 633 5.706 5.941 0.432 1.00 0.00 N ATOM 1978 CA VAL A 633 6.163 5.025 1.486 1.00 0.00 C ATOM 1979 C VAL A 633 5.668 5.484 2.855 1.00 0.00 C ATOM 1980 O VAL A 633 5.750 6.676 3.140 1.00 0.00 O ATOM 1981 CB VAL A 633 7.701 4.881 1.419 1.00 0.00 C ATOM 1982 CG1 VAL A 633 8.200 3.905 2.495 1.00 0.00 C ATOM 1983 CG2 VAL A 633 8.149 4.334 0.057 1.00 0.00 C ATOM 0 H VAL A 633 5.794 6.924 0.688 1.00 0.00 H new ATOM 0 HA VAL A 633 5.735 4.036 1.324 1.00 0.00 H new ATOM 0 HB VAL A 633 8.119 5.875 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 633 9.285 3.817 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.923 4.278 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.747 2.926 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.235 4.244 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.701 3.354 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.829 5.015 -0.732 1.00 0.00 H new ATOM 1993 N SER A 634 5.230 4.555 3.722 1.00 0.00 N ATOM 1994 CA SER A 634 4.714 4.830 5.068 1.00 0.00 C ATOM 1995 C SER A 634 5.565 4.125 6.129 1.00 0.00 C ATOM 1996 O SER A 634 6.022 3.014 5.897 1.00 0.00 O ATOM 1997 CB SER A 634 3.259 4.364 5.070 1.00 0.00 C ATOM 1998 OG SER A 634 2.758 3.822 6.273 1.00 0.00 O ATOM 0 H SER A 634 5.227 3.561 3.495 1.00 0.00 H new ATOM 0 HA SER A 634 4.764 5.890 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.632 5.212 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 634 3.143 3.614 4.287 1.00 0.00 H new ATOM 0 HG SER A 634 2.133 4.456 6.682 1.00 0.00 H new ATOM 2004 N VAL A 635 5.715 4.701 7.318 1.00 0.00 N ATOM 2005 CA VAL A 635 6.312 4.042 8.476 1.00 0.00 C ATOM 2006 C VAL A 635 5.542 4.521 9.705 1.00 0.00 C ATOM 2007 O VAL A 635 5.057 5.661 9.722 1.00 0.00 O ATOM 2008 CB VAL A 635 7.826 4.343 8.594 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.704 3.527 7.627 1.00 0.00 C ATOM 2010 CG2 VAL A 635 8.157 5.828 8.399 1.00 0.00 C ATOM 0 H VAL A 635 5.419 5.658 7.508 1.00 0.00 H new ATOM 0 HA VAL A 635 6.239 2.959 8.377 1.00 0.00 H new ATOM 0 HB VAL A 635 8.062 4.043 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.751 3.795 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.571 2.463 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.412 3.744 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 635 9.233 5.976 8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.832 6.146 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.642 6.418 9.157 1.00 0.00 H new ATOM 2020 N SER A 636 5.445 3.693 10.747 1.00 0.00 N ATOM 2021 CA SER A 636 4.747 4.088 11.968 1.00 0.00 C ATOM 2022 C SER A 636 5.535 5.118 12.791 1.00 0.00 C ATOM 2023 O SER A 636 4.932 5.755 13.658 1.00 0.00 O ATOM 2024 CB SER A 636 4.398 2.850 12.804 1.00 0.00 C ATOM 2025 OG SER A 636 5.524 2.016 13.031 1.00 0.00 O ATOM 0 H SER A 636 5.838 2.752 10.769 1.00 0.00 H new ATOM 0 HA SER A 636 3.821 4.581 11.671 1.00 0.00 H new ATOM 0 HB2 SER A 636 3.984 3.166 13.762 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.622 2.278 12.295 1.00 0.00 H new ATOM 0 HG SER A 636 5.255 1.242 13.568 1.00 0.00 H new ATOM 2031 N SER A 637 6.840 5.305 12.536 1.00 0.00 N ATOM 2032 CA SER A 637 7.675 6.213 13.318 1.00 0.00 C ATOM 2033 C SER A 637 8.070 7.454 12.507 1.00 0.00 C ATOM 2034 O SER A 637 8.423 7.324 11.330 1.00 0.00 O ATOM 2035 CB SER A 637 8.929 5.512 13.839 1.00 0.00 C ATOM 2036 OG SER A 637 8.598 4.321 14.528 1.00 0.00 O ATOM 0 H SER A 637 7.339 4.830 11.784 1.00 0.00 H new ATOM 0 HA SER A 637 7.077 6.533 14.171 1.00 0.00 H new ATOM 0 HB2 SER A 637 9.593 5.281 13.006 1.00 0.00 H new ATOM 0 HB3 SER A 637 9.474 6.182 14.505 1.00 0.00 H new ATOM 0 HG SER A 637 9.418 3.891 14.850 1.00 0.00 H new ATOM 2042 N PRO A 638 8.026 8.662 13.090 1.00 0.00 N ATOM 2043 CA PRO A 638 8.367 9.908 12.411 1.00 0.00 C ATOM 2044 C PRO A 638 9.853 9.985 12.054 1.00 0.00 C ATOM 2045 O PRO A 638 10.163 10.451 10.956 1.00 0.00 O ATOM 2046 CB PRO A 638 7.981 11.020 13.388 1.00 0.00 C ATOM 2047 CG PRO A 638 7.999 10.346 14.761 1.00 0.00 C ATOM 2048 CD PRO A 638 7.591 8.911 14.452 1.00 0.00 C ATOM 0 HA PRO A 638 7.838 9.991 11.462 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.686 11.850 13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.996 11.426 13.158 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.987 10.394 15.220 1.00 0.00 H new ATOM 0 HG3 PRO A 638 7.303 10.822 15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 638 8.059 8.213 15.146 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.513 8.781 14.548 1.00 0.00 H new ATOM 2056 N ASP A 639 10.758 9.502 12.919 1.00 0.00 N ATOM 2057 CA ASP A 639 12.200 9.452 12.654 1.00 0.00 C ATOM 2058 C ASP A 639 12.477 8.518 11.477 1.00 0.00 C ATOM 2059 O ASP A 639 13.432 8.675 10.731 1.00 0.00 O ATOM 2060 CB ASP A 639 12.973 8.861 13.842 1.00 0.00 C ATOM 2061 CG ASP A 639 13.149 9.714 15.099 1.00 0.00 C ATOM 2062 OD1 ASP A 639 12.143 10.171 15.695 1.00 0.00 O ATOM 2063 OD2 ASP A 639 14.295 9.758 15.607 1.00 0.00 O ATOM 0 H ASP A 639 10.503 9.131 13.834 1.00 0.00 H new ATOM 0 HA ASP A 639 12.518 10.476 12.458 1.00 0.00 H new ATOM 0 HB2 ASP A 639 12.473 7.938 14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 639 13.966 8.586 13.487 1.00 0.00 H new ATOM 2068 N ALA A 640 11.629 7.516 11.291 1.00 0.00 N ATOM 2069 CA ALA A 640 11.833 6.459 10.320 1.00 0.00 C ATOM 2070 C ALA A 640 11.548 6.954 8.904 1.00 0.00 C ATOM 2071 O ALA A 640 12.076 6.377 7.961 1.00 0.00 O ATOM 2072 CB ALA A 640 11.033 5.204 10.679 1.00 0.00 C ATOM 0 H ALA A 640 10.764 7.416 11.823 1.00 0.00 H new ATOM 0 HA ALA A 640 12.884 6.170 10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.210 4.433 9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 640 11.348 4.839 11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.970 5.445 10.707 1.00 0.00 H new ATOM 2078 N VAL A 641 10.782 8.038 8.739 1.00 0.00 N ATOM 2079 CA VAL A 641 10.627 8.713 7.454 1.00 0.00 C ATOM 2080 C VAL A 641 12.006 9.211 7.007 1.00 0.00 C ATOM 2081 O VAL A 641 12.387 9.070 5.842 1.00 0.00 O ATOM 2082 CB VAL A 641 9.611 9.869 7.599 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.530 10.741 6.336 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.207 9.340 7.912 1.00 0.00 C ATOM 0 H VAL A 641 10.253 8.470 9.497 1.00 0.00 H new ATOM 0 HA VAL A 641 10.239 8.034 6.695 1.00 0.00 H new ATOM 0 HB VAL A 641 9.973 10.480 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 641 8.803 11.538 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.508 11.177 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.222 10.127 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.516 10.177 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 641 7.876 8.687 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.229 8.779 8.846 1.00 0.00 H new ATOM 2094 N THR A 642 12.762 9.770 7.948 1.00 0.00 N ATOM 2095 CA THR A 642 14.107 10.261 7.768 1.00 0.00 C ATOM 2096 C THR A 642 15.063 9.074 7.573 1.00 0.00 C ATOM 2097 O THR A 642 15.802 9.039 6.592 1.00 0.00 O ATOM 2098 CB THR A 642 14.389 11.150 8.995 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.667 12.362 8.843 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.865 11.502 9.148 1.00 0.00 C ATOM 0 H THR A 642 12.427 9.895 8.903 1.00 0.00 H new ATOM 0 HA THR A 642 14.250 10.866 6.872 1.00 0.00 H new ATOM 0 HB THR A 642 14.085 10.590 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.833 12.941 9.616 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.000 12.129 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.447 10.588 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.204 12.041 8.263 1.00 0.00 H new ATOM 2108 N THR A 643 15.024 8.071 8.447 1.00 0.00 N ATOM 2109 CA THR A 643 15.913 6.921 8.398 1.00 0.00 C ATOM 2110 C THR A 643 15.764 6.120 7.097 1.00 0.00 C ATOM 2111 O THR A 643 16.770 5.737 6.498 1.00 0.00 O ATOM 2112 CB THR A 643 15.625 6.068 9.636 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.684 6.877 10.790 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.574 4.901 9.824 1.00 0.00 C ATOM 0 H THR A 643 14.361 8.037 9.221 1.00 0.00 H new ATOM 0 HA THR A 643 16.951 7.255 8.404 1.00 0.00 H new ATOM 0 HB THR A 643 14.631 5.649 9.481 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.851 7.386 10.876 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.299 4.350 10.723 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.513 4.239 8.960 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.593 5.274 9.924 1.00 0.00 H new ATOM 2122 N TYR A 644 14.530 5.887 6.638 1.00 0.00 N ATOM 2123 CA TYR A 644 14.233 5.200 5.394 1.00 0.00 C ATOM 2124 C TYR A 644 14.853 5.962 4.220 1.00 0.00 C ATOM 2125 O TYR A 644 15.541 5.382 3.381 1.00 0.00 O ATOM 2126 CB TYR A 644 12.708 5.108 5.250 1.00 0.00 C ATOM 2127 CG TYR A 644 12.271 4.315 4.046 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.103 4.935 2.796 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.072 2.935 4.185 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.763 4.159 1.676 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.771 2.144 3.067 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.614 2.760 1.803 1.00 0.00 C ATOM 2133 OH TYR A 644 11.290 2.018 0.713 1.00 0.00 O ATOM 0 H TYR A 644 13.693 6.182 7.141 1.00 0.00 H new ATOM 0 HA TYR A 644 14.657 4.196 5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.292 4.651 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.295 6.114 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.235 6.002 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.151 2.477 5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.615 4.632 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.660 1.075 3.170 1.00 0.00 H new ATOM 0 HH TYR A 644 12.050 1.996 0.095 1.00 0.00 H new ATOM 2143 N ASN A 645 14.642 7.282 4.190 1.00 0.00 N ATOM 2144 CA ASN A 645 15.253 8.192 3.222 1.00 0.00 C ATOM 2145 C ASN A 645 16.777 8.072 3.263 1.00 0.00 C ATOM 2146 O ASN A 645 17.431 8.125 2.218 1.00 0.00 O ATOM 2147 CB ASN A 645 14.848 9.642 3.533 1.00 0.00 C ATOM 2148 CG ASN A 645 13.716 10.123 2.651 1.00 0.00 C ATOM 2149 OD1 ASN A 645 13.945 10.456 1.491 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.506 10.198 3.166 1.00 0.00 N ATOM 0 H ASN A 645 14.028 7.755 4.853 1.00 0.00 H new ATOM 0 HA ASN A 645 14.901 7.921 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.548 9.717 4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.711 10.294 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.730 10.539 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.345 9.915 4.132 1.00 0.00 H new ATOM 2157 N GLY A 646 17.348 7.904 4.452 1.00 0.00 N ATOM 2158 CA GLY A 646 18.753 7.625 4.669 1.00 0.00 C ATOM 2159 C GLY A 646 19.187 6.391 3.896 1.00 0.00 C ATOM 2160 O GLY A 646 20.107 6.477 3.089 1.00 0.00 O ATOM 0 H GLY A 646 16.818 7.962 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.350 8.482 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.938 7.476 5.733 1.00 0.00 H new ATOM 2164 N TYR A 647 18.492 5.261 4.051 1.00 0.00 N ATOM 2165 CA TYR A 647 18.820 4.026 3.335 1.00 0.00 C ATOM 2166 C TYR A 647 18.640 4.156 1.823 1.00 0.00 C ATOM 2167 O TYR A 647 19.194 3.351 1.074 1.00 0.00 O ATOM 2168 CB TYR A 647 17.946 2.862 3.816 1.00 0.00 C ATOM 2169 CG TYR A 647 17.902 2.627 5.309 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.070 2.696 6.092 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.675 2.312 5.916 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.005 2.491 7.479 1.00 0.00 C ATOM 2173 CE2 TYR A 647 16.610 2.116 7.301 1.00 0.00 C ATOM 2174 CZ TYR A 647 17.772 2.210 8.096 1.00 0.00 C ATOM 2175 OH TYR A 647 17.710 1.970 9.434 1.00 0.00 O ATOM 0 H TYR A 647 17.689 5.177 4.674 1.00 0.00 H new ATOM 0 HA TYR A 647 19.871 3.831 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 647 16.928 3.032 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.299 1.949 3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.020 2.908 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 647 15.782 2.221 5.315 1.00 0.00 H new ATOM 0 HE1 TYR A 647 19.904 2.549 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 647 15.661 1.891 7.765 1.00 0.00 H new ATOM 0 HH TYR A 647 16.781 1.795 9.692 1.00 0.00 H new ATOM 2185 N LEU A 648 17.853 5.129 1.359 1.00 0.00 N ATOM 2186 CA LEU A 648 17.657 5.375 -0.063 1.00 0.00 C ATOM 2187 C LEU A 648 18.889 6.058 -0.650 1.00 0.00 C ATOM 2188 O LEU A 648 19.421 5.592 -1.658 1.00 0.00 O ATOM 2189 CB LEU A 648 16.375 6.180 -0.334 1.00 0.00 C ATOM 2190 CG LEU A 648 15.019 5.510 -0.008 1.00 0.00 C ATOM 2191 CD1 LEU A 648 14.044 5.763 -1.155 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.061 4.000 0.232 1.00 0.00 C ATOM 0 H LEU A 648 17.335 5.767 1.963 1.00 0.00 H new ATOM 0 HA LEU A 648 17.527 4.414 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.436 7.108 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.368 6.453 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 648 14.709 5.964 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.087 5.293 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.900 6.836 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.448 5.341 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.056 3.638 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.440 3.500 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.717 3.784 1.075 1.00 0.00 H new ATOM 2204 N THR A 649 19.374 7.129 -0.016 1.00 0.00 N ATOM 2205 CA THR A 649 20.601 7.805 -0.445 1.00 0.00 C ATOM 2206 C THR A 649 21.843 6.984 -0.042 1.00 0.00 C ATOM 2207 O THR A 649 22.911 7.132 -0.636 1.00 0.00 O ATOM 2208 CB THR A 649 20.616 9.230 0.133 1.00 0.00 C ATOM 2209 OG1 THR A 649 19.480 9.965 -0.299 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.830 10.036 -0.333 1.00 0.00 C ATOM 0 H THR A 649 18.932 7.549 0.802 1.00 0.00 H new ATOM 0 HA THR A 649 20.627 7.883 -1.532 1.00 0.00 H new ATOM 0 HB THR A 649 20.634 9.101 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 649 19.510 10.867 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 649 21.793 11.034 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 649 22.744 9.534 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 649 21.819 10.114 -1.420 1.00 0.00 H new