USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=37 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 -165:sc= -0.0842 (180deg=-0.454) USER MOD Set 1.2: A 644 TYR OH : rot 70:sc= -0.0389 USER MOD Set 2.1: A 550 CYS SG : rot 63:sc= 1.17 USER MOD Set 2.2: A 585 SER OG : rot 83:sc= 1.37 USER MOD Set 3.1: A 539 HIS : no HE2:sc= -3.04! C(o=-1.8!,f=-3.3!) USER MOD Set 3.2: A 543 THR OG1 : rot -52:sc= 1.2 USER MOD Single : A 528 THR OG1 : rot -163:sc= 0.943 USER MOD Single : A 530 SER OG : rot -56:sc= 0 USER MOD Single : A 532 ASN : amide:sc= -0.663 K(o=-0.66,f=-3!) USER MOD Single : A 536 MET CE :methyl -115:sc= -1.72 (180deg=-4.06!) USER MOD Single : A 545 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00921) USER MOD Single : A 547 MET CE :methyl 160:sc= -1.43 (180deg=-2.88!) USER MOD Single : A 551 MET CE :methyl -179:sc= -0.33 (180deg=-0.341) USER MOD Single : A 557 MET CE :methyl 172:sc= -3.1 (180deg=-3.45) USER MOD Single : A 559 THR OG1 : rot 73:sc= 0.125 USER MOD Single : A 561 GLN : amide:sc= -1.42 X(o=-1.4,f=-1) USER MOD Single : A 563 LYS NZ :NH3+ -138:sc= 0.732 (180deg=-0.00432) USER MOD Single : A 564 TYR OH : rot 70:sc= -0.128 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= -4.14! C(o=-6.7!,f=-4.1!) USER MOD Single : A 576 TYR OH : rot -30:sc= 0.258 USER MOD Single : A 583 TYR OH : rot 30:sc= -0.278 USER MOD Single : A 584 THR OG1 : rot 27:sc= 0.994 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -150:sc= -0.0664 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.8!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 605 THR OG1 : rot 92:sc= -0.194 USER MOD Single : A 606 MET CE :methyl 159:sc= 0 (180deg=-0.116) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot -129:sc= 0.859 USER MOD Single : A 613 HIS : no HD1:sc= 0.425 K(o=0.42,f=-4!) USER MOD Single : A 616 ASN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : A 623 CYS SG : rot -110:sc= -0.0666 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 154:sc= -0.0946 (180deg=-0.83) USER MOD Single : A 634 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 636 SER OG : rot -91:sc= 0.0287 USER MOD Single : A 637 SER OG : rot 23:sc= 0.161 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 645 ASN : amide:sc= 0.587 K(o=0.59,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 -0.453 15.652 -6.771 1.00 0.00 N ATOM 215 CA GLU A 524 0.163 14.380 -6.463 1.00 0.00 C ATOM 216 C GLU A 524 1.399 14.572 -5.590 1.00 0.00 C ATOM 217 O GLU A 524 2.049 15.625 -5.597 1.00 0.00 O ATOM 218 CB GLU A 524 0.521 13.625 -7.755 1.00 0.00 C ATOM 219 CG GLU A 524 1.439 14.358 -8.763 1.00 0.00 C ATOM 220 CD GLU A 524 0.773 15.506 -9.542 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.759 16.651 -9.037 1.00 0.00 O ATOM 222 OE2 GLU A 524 0.229 15.268 -10.651 1.00 0.00 O ATOM 0 HA GLU A 524 -0.556 13.781 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 524 1.002 12.687 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.407 13.368 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 524 2.298 14.757 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 524 1.822 13.629 -9.478 1.00 0.00 H new ATOM 229 N ILE A 525 1.716 13.510 -4.851 1.00 0.00 N ATOM 230 CA ILE A 525 2.821 13.370 -3.919 1.00 0.00 C ATOM 231 C ILE A 525 3.679 12.223 -4.417 1.00 0.00 C ATOM 232 O ILE A 525 3.162 11.295 -5.052 1.00 0.00 O ATOM 233 CB ILE A 525 2.312 13.067 -2.508 1.00 0.00 C ATOM 234 CG1 ILE A 525 1.043 13.850 -2.168 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.393 13.316 -1.434 1.00 0.00 C ATOM 236 CD1 ILE A 525 1.005 15.364 -2.382 1.00 0.00 C ATOM 0 H ILE A 525 1.157 12.658 -4.897 1.00 0.00 H new ATOM 0 HA ILE A 525 3.391 14.297 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 525 2.065 12.005 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 525 0.229 13.419 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.817 13.664 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.986 13.088 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 525 4.254 12.676 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.703 14.360 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 525 0.029 15.749 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 525 1.779 15.837 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 525 1.181 15.587 -3.434 1.00 0.00 H new ATOM 248 N LEU A 526 4.958 12.233 -4.054 1.00 0.00 N ATOM 249 CA LEU A 526 5.820 11.082 -4.204 1.00 0.00 C ATOM 250 C LEU A 526 6.987 11.224 -3.250 1.00 0.00 C ATOM 251 O LEU A 526 7.527 12.317 -3.072 1.00 0.00 O ATOM 252 CB LEU A 526 6.312 11.027 -5.633 1.00 0.00 C ATOM 253 CG LEU A 526 6.708 9.609 -6.069 1.00 0.00 C ATOM 254 CD1 LEU A 526 5.453 8.897 -6.597 1.00 0.00 C ATOM 255 CD2 LEU A 526 7.772 9.662 -7.157 1.00 0.00 C ATOM 0 H LEU A 526 5.420 13.046 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 526 5.281 10.162 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.532 11.402 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.170 11.690 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 526 7.121 9.066 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 526 5.713 7.887 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 526 4.703 8.849 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 526 5.051 9.450 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 526 8.040 8.648 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 526 7.383 10.202 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 526 8.656 10.175 -6.777 1.00 0.00 H new ATOM 267 N GLY A 527 7.410 10.095 -2.714 1.00 0.00 N ATOM 268 CA GLY A 527 8.401 10.007 -1.641 1.00 0.00 C ATOM 269 C GLY A 527 7.859 9.264 -0.419 1.00 0.00 C ATOM 270 O GLY A 527 6.750 8.723 -0.482 1.00 0.00 O ATOM 0 H GLY A 527 7.068 9.183 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.291 9.497 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.708 11.011 -1.348 1.00 0.00 H new ATOM 274 N THR A 528 8.631 9.198 0.672 1.00 0.00 N ATOM 275 CA THR A 528 8.212 8.503 1.883 1.00 0.00 C ATOM 276 C THR A 528 7.593 9.515 2.850 1.00 0.00 C ATOM 277 O THR A 528 8.096 10.632 2.986 1.00 0.00 O ATOM 278 CB THR A 528 9.398 7.735 2.487 1.00 0.00 C ATOM 279 OG1 THR A 528 9.975 6.936 1.477 1.00 0.00 O ATOM 280 CG2 THR A 528 8.977 6.801 3.628 1.00 0.00 C ATOM 0 H THR A 528 9.556 9.623 0.735 1.00 0.00 H new ATOM 0 HA THR A 528 7.448 7.759 1.657 1.00 0.00 H new ATOM 0 HB THR A 528 10.094 8.473 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.547 6.254 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.854 6.284 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.516 7.385 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.261 6.069 3.254 1.00 0.00 H new ATOM 288 N VAL A 529 6.521 9.122 3.536 1.00 0.00 N ATOM 289 CA VAL A 529 5.722 9.952 4.430 1.00 0.00 C ATOM 290 C VAL A 529 5.460 9.202 5.744 1.00 0.00 C ATOM 291 O VAL A 529 5.593 7.975 5.809 1.00 0.00 O ATOM 292 CB VAL A 529 4.406 10.365 3.728 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.626 11.445 2.660 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.683 9.179 3.066 1.00 0.00 C ATOM 0 H VAL A 529 6.170 8.166 3.479 1.00 0.00 H new ATOM 0 HA VAL A 529 6.267 10.864 4.673 1.00 0.00 H new ATOM 0 HB VAL A 529 3.782 10.763 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.672 11.699 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.053 12.334 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.310 11.070 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.768 9.531 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.333 8.730 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.436 8.435 3.823 1.00 0.00 H new ATOM 304 N SER A 530 5.050 9.917 6.794 1.00 0.00 N ATOM 305 CA SER A 530 4.643 9.325 8.062 1.00 0.00 C ATOM 306 C SER A 530 3.113 9.320 8.041 1.00 0.00 C ATOM 307 O SER A 530 2.457 10.179 8.640 1.00 0.00 O ATOM 308 CB SER A 530 5.293 10.088 9.227 1.00 0.00 C ATOM 309 OG SER A 530 5.136 9.402 10.452 1.00 0.00 O ATOM 0 H SER A 530 4.992 10.935 6.783 1.00 0.00 H new ATOM 0 HA SER A 530 4.983 8.299 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 530 6.354 10.230 9.022 1.00 0.00 H new ATOM 0 HB3 SER A 530 4.848 11.080 9.306 1.00 0.00 H new ATOM 0 HG SER A 530 4.184 9.237 10.615 1.00 0.00 H new ATOM 315 N TRP A 531 2.554 8.397 7.259 1.00 0.00 N ATOM 316 CA TRP A 531 1.148 8.122 7.037 1.00 0.00 C ATOM 317 C TRP A 531 0.869 6.739 7.634 1.00 0.00 C ATOM 318 O TRP A 531 1.648 6.208 8.428 1.00 0.00 O ATOM 319 CB TRP A 531 0.817 8.173 5.532 1.00 0.00 C ATOM 320 CG TRP A 531 0.763 9.504 4.859 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.160 10.691 5.367 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.294 9.782 3.507 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.990 11.672 4.414 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.537 11.159 3.222 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.241 8.990 2.466 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.322 11.717 1.952 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.474 9.549 1.200 1.00 0.00 C ATOM 328 CH2 TRP A 531 -0.186 10.899 0.931 1.00 0.00 C ATOM 0 H TRP A 531 3.139 7.764 6.714 1.00 0.00 H new ATOM 0 HA TRP A 531 0.517 8.871 7.514 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.557 7.567 5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.149 7.690 5.389 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.549 10.847 6.362 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.178 12.662 4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.472 7.950 2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.544 12.757 1.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.883 8.929 0.416 1.00 0.00 H new ATOM 0 HH2 TRP A 531 -0.355 11.304 -0.056 1.00 0.00 H new ATOM 339 N ASN A 532 -0.292 6.184 7.323 1.00 0.00 N ATOM 340 CA ASN A 532 -0.908 5.038 7.962 1.00 0.00 C ATOM 341 C ASN A 532 -2.032 4.590 7.041 1.00 0.00 C ATOM 342 O ASN A 532 -2.410 5.314 6.117 1.00 0.00 O ATOM 343 CB ASN A 532 -1.487 5.421 9.334 1.00 0.00 C ATOM 344 CG ASN A 532 -2.161 6.778 9.283 1.00 0.00 C ATOM 345 OD1 ASN A 532 -3.311 6.901 8.875 1.00 0.00 O ATOM 346 ND2 ASN A 532 -1.383 7.807 9.580 1.00 0.00 N ATOM 0 H ASN A 532 -0.866 6.550 6.564 1.00 0.00 H new ATOM 0 HA ASN A 532 -0.175 4.248 8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.206 4.666 9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -0.690 5.435 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -1.733 8.759 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.433 7.648 9.916 1.00 0.00 H new ATOM 353 N LEU A 533 -2.566 3.400 7.302 1.00 0.00 N ATOM 354 CA LEU A 533 -3.607 2.756 6.513 1.00 0.00 C ATOM 355 C LEU A 533 -4.763 3.712 6.230 1.00 0.00 C ATOM 356 O LEU A 533 -5.151 3.811 5.073 1.00 0.00 O ATOM 357 CB LEU A 533 -4.028 1.442 7.217 1.00 0.00 C ATOM 358 CG LEU A 533 -3.953 0.140 6.393 1.00 0.00 C ATOM 359 CD1 LEU A 533 -5.204 -0.097 5.552 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.712 0.050 5.494 1.00 0.00 C ATOM 0 H LEU A 533 -2.272 2.838 8.101 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.225 2.488 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.402 1.318 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.054 1.561 7.567 1.00 0.00 H new ATOM 0 HG LEU A 533 -3.878 -0.646 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -5.096 -1.027 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -6.074 -0.165 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.337 0.731 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.728 -0.892 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -2.713 0.881 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -1.813 0.097 6.109 1.00 0.00 H new ATOM 372 N ARG A 534 -5.267 4.446 7.228 1.00 0.00 N ATOM 373 CA ARG A 534 -6.309 5.451 7.046 1.00 0.00 C ATOM 374 C ARG A 534 -5.910 6.579 6.100 1.00 0.00 C ATOM 375 O ARG A 534 -6.662 6.868 5.172 1.00 0.00 O ATOM 376 CB ARG A 534 -6.718 6.033 8.408 1.00 0.00 C ATOM 377 CG ARG A 534 -8.034 5.449 8.921 1.00 0.00 C ATOM 378 CD ARG A 534 -9.229 5.878 8.066 1.00 0.00 C ATOM 379 NE ARG A 534 -9.374 7.340 8.014 1.00 0.00 N ATOM 380 CZ ARG A 534 -9.881 8.050 6.999 1.00 0.00 C ATOM 381 NH1 ARG A 534 -10.580 7.455 6.038 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.675 9.357 6.950 1.00 0.00 N ATOM 0 H ARG A 534 -4.956 4.354 8.195 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.152 4.940 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -5.929 5.838 9.135 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -6.813 7.116 8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.968 4.361 8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.194 5.767 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -9.109 5.490 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -10.140 5.438 8.470 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.058 7.864 8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -10.735 6.447 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -10.962 8.006 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -9.133 9.816 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -10.058 9.905 6.180 1.00 0.00 H new ATOM 396 N GLU A 535 -4.770 7.225 6.332 1.00 0.00 N ATOM 397 CA GLU A 535 -4.321 8.322 5.483 1.00 0.00 C ATOM 398 C GLU A 535 -4.159 7.886 4.030 1.00 0.00 C ATOM 399 O GLU A 535 -4.382 8.684 3.112 1.00 0.00 O ATOM 400 CB GLU A 535 -3.003 8.896 6.015 1.00 0.00 C ATOM 401 CG GLU A 535 -3.129 9.849 7.212 1.00 0.00 C ATOM 402 CD GLU A 535 -4.536 10.348 7.549 1.00 0.00 C ATOM 403 OE1 GLU A 535 -5.122 11.086 6.727 1.00 0.00 O ATOM 404 OE2 GLU A 535 -5.042 10.049 8.656 1.00 0.00 O ATOM 0 H GLU A 535 -4.140 7.006 7.103 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.088 9.096 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.355 8.067 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.504 9.425 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -2.727 9.346 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -2.496 10.717 7.024 1.00 0.00 H new ATOM 411 N MET A 536 -3.771 6.632 3.801 1.00 0.00 N ATOM 412 CA MET A 536 -3.545 6.140 2.475 1.00 0.00 C ATOM 413 C MET A 536 -4.872 5.685 1.853 1.00 0.00 C ATOM 414 O MET A 536 -5.094 6.020 0.697 1.00 0.00 O ATOM 415 CB MET A 536 -2.493 5.046 2.491 1.00 0.00 C ATOM 416 CG MET A 536 -1.255 5.354 3.355 1.00 0.00 C ATOM 417 SD MET A 536 0.303 5.404 2.467 1.00 0.00 S ATOM 418 CE MET A 536 0.344 3.682 1.979 1.00 0.00 C ATOM 0 H MET A 536 -3.610 5.944 4.537 1.00 0.00 H new ATOM 0 HA MET A 536 -3.154 6.939 1.845 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.951 4.126 2.853 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.167 4.859 1.468 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.405 6.315 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.183 4.601 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.185 3.186 2.463 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.585 3.197 2.279 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.456 3.613 0.897 1.00 0.00 H new ATOM 428 N LEU A 537 -5.788 5.010 2.564 1.00 0.00 N ATOM 429 CA LEU A 537 -7.183 4.852 2.187 1.00 0.00 C ATOM 430 C LEU A 537 -7.785 6.129 1.600 1.00 0.00 C ATOM 431 O LEU A 537 -8.437 6.080 0.555 1.00 0.00 O ATOM 432 CB LEU A 537 -7.971 4.450 3.449 1.00 0.00 C ATOM 433 CG LEU A 537 -8.366 2.983 3.444 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.284 1.929 3.602 1.00 0.00 C ATOM 435 CD2 LEU A 537 -9.380 2.745 4.569 1.00 0.00 C ATOM 0 H LEU A 537 -5.561 4.548 3.444 1.00 0.00 H new ATOM 0 HA LEU A 537 -7.244 4.089 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.367 4.658 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.868 5.064 3.525 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.741 2.843 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.736 0.937 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.565 2.021 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.774 2.071 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.673 1.695 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.928 3.004 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -10.260 3.366 4.403 1.00 0.00 H new ATOM 447 N ALA A 538 -7.600 7.263 2.281 1.00 0.00 N ATOM 448 CA ALA A 538 -8.077 8.547 1.798 1.00 0.00 C ATOM 449 C ALA A 538 -7.368 8.903 0.484 1.00 0.00 C ATOM 450 O ALA A 538 -8.025 9.063 -0.549 1.00 0.00 O ATOM 451 CB ALA A 538 -7.894 9.603 2.896 1.00 0.00 C ATOM 0 H ALA A 538 -7.117 7.310 3.178 1.00 0.00 H new ATOM 0 HA ALA A 538 -9.143 8.505 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.251 10.568 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.463 9.312 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.838 9.680 3.154 1.00 0.00 H new ATOM 457 N HIS A 539 -6.034 8.975 0.498 1.00 0.00 N ATOM 458 CA HIS A 539 -5.236 9.436 -0.639 1.00 0.00 C ATOM 459 C HIS A 539 -5.401 8.567 -1.895 1.00 0.00 C ATOM 460 O HIS A 539 -5.378 9.075 -3.015 1.00 0.00 O ATOM 461 CB HIS A 539 -3.775 9.508 -0.207 1.00 0.00 C ATOM 462 CG HIS A 539 -2.838 9.906 -1.315 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.799 11.139 -1.949 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.862 9.102 -1.842 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.775 11.091 -2.816 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.183 9.879 -2.761 1.00 0.00 N ATOM 0 H HIS A 539 -5.473 8.712 1.308 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.598 10.423 -0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.681 10.223 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.472 8.536 0.183 1.00 0.00 H new ATOM 0 HD1 HIS A 539 -3.426 11.928 -1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.664 8.071 -1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.470 11.901 -3.461 1.00 0.00 H new ATOM 475 N ALA A 540 -5.524 7.256 -1.733 1.00 0.00 N ATOM 476 CA ALA A 540 -5.689 6.302 -2.822 1.00 0.00 C ATOM 477 C ALA A 540 -6.998 6.547 -3.565 1.00 0.00 C ATOM 478 O ALA A 540 -7.012 6.466 -4.789 1.00 0.00 O ATOM 479 CB ALA A 540 -5.648 4.868 -2.292 1.00 0.00 C ATOM 0 H ALA A 540 -5.511 6.814 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.863 6.443 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.773 4.170 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.689 4.687 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.453 4.723 -1.571 1.00 0.00 H new ATOM 485 N GLU A 541 -8.089 6.852 -2.858 1.00 0.00 N ATOM 486 CA GLU A 541 -9.326 7.311 -3.477 1.00 0.00 C ATOM 487 C GLU A 541 -9.080 8.670 -4.135 1.00 0.00 C ATOM 488 O GLU A 541 -9.267 8.819 -5.340 1.00 0.00 O ATOM 489 CB GLU A 541 -10.418 7.390 -2.402 1.00 0.00 C ATOM 490 CG GLU A 541 -11.341 6.175 -2.449 1.00 0.00 C ATOM 491 CD GLU A 541 -12.500 6.408 -3.413 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.324 6.143 -4.621 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.581 6.854 -2.967 1.00 0.00 O ATOM 0 H GLU A 541 -8.135 6.786 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.657 6.617 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.956 7.459 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -11.004 8.298 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.776 5.296 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.729 5.969 -1.451 1.00 0.00 H new ATOM 500 N GLU A 542 -8.569 9.627 -3.354 1.00 0.00 N ATOM 501 CA GLU A 542 -8.345 11.033 -3.704 1.00 0.00 C ATOM 502 C GLU A 542 -7.605 11.176 -5.038 1.00 0.00 C ATOM 503 O GLU A 542 -7.887 12.096 -5.801 1.00 0.00 O ATOM 504 CB GLU A 542 -7.526 11.650 -2.559 1.00 0.00 C ATOM 505 CG GLU A 542 -7.090 13.109 -2.685 1.00 0.00 C ATOM 506 CD GLU A 542 -5.831 13.354 -1.852 1.00 0.00 C ATOM 507 OE1 GLU A 542 -4.717 13.073 -2.351 1.00 0.00 O ATOM 508 OE2 GLU A 542 -5.923 13.768 -0.674 1.00 0.00 O ATOM 0 H GLU A 542 -8.282 9.426 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.299 11.546 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.110 11.555 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.629 11.045 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -6.897 13.350 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -7.892 13.767 -2.349 1.00 0.00 H new ATOM 515 N THR A 543 -6.682 10.259 -5.343 1.00 0.00 N ATOM 516 CA THR A 543 -5.857 10.314 -6.543 1.00 0.00 C ATOM 517 C THR A 543 -6.085 9.124 -7.490 1.00 0.00 C ATOM 518 O THR A 543 -5.381 8.996 -8.497 1.00 0.00 O ATOM 519 CB THR A 543 -4.383 10.502 -6.142 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.930 9.509 -5.235 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.129 11.860 -5.491 1.00 0.00 C ATOM 0 H THR A 543 -6.488 9.450 -4.753 1.00 0.00 H new ATOM 0 HA THR A 543 -6.162 11.180 -7.131 1.00 0.00 H new ATOM 0 HB THR A 543 -3.833 10.424 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.546 9.455 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.075 11.945 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.393 12.654 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.738 11.952 -4.592 1.00 0.00 H new ATOM 529 N ARG A 544 -7.024 8.214 -7.195 1.00 0.00 N ATOM 530 CA ARG A 544 -7.140 6.895 -7.842 1.00 0.00 C ATOM 531 C ARG A 544 -5.814 6.089 -7.861 1.00 0.00 C ATOM 532 O ARG A 544 -5.666 5.157 -8.657 1.00 0.00 O ATOM 533 CB ARG A 544 -7.807 7.022 -9.233 1.00 0.00 C ATOM 534 CG ARG A 544 -9.337 7.184 -9.213 1.00 0.00 C ATOM 535 CD ARG A 544 -9.837 8.614 -8.958 1.00 0.00 C ATOM 536 NE ARG A 544 -11.179 8.809 -9.552 1.00 0.00 N ATOM 537 CZ ARG A 544 -11.704 9.950 -10.027 1.00 0.00 C ATOM 538 NH1 ARG A 544 -11.092 11.113 -9.860 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.853 9.939 -10.688 1.00 0.00 N ATOM 0 H ARG A 544 -7.739 8.375 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.802 6.292 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.374 7.879 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.559 6.137 -9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.736 6.841 -10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.746 6.530 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.876 8.806 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.136 9.332 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.773 7.982 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -10.203 11.155 -9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -11.510 11.967 -10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -13.346 9.059 -10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.244 10.811 -11.045 1.00 0.00 H new ATOM 553 N LYS A 545 -4.804 6.438 -7.051 1.00 0.00 N ATOM 554 CA LYS A 545 -3.523 5.719 -7.028 1.00 0.00 C ATOM 555 C LYS A 545 -3.745 4.321 -6.469 1.00 0.00 C ATOM 556 O LYS A 545 -4.490 4.149 -5.506 1.00 0.00 O ATOM 557 CB LYS A 545 -2.480 6.453 -6.179 1.00 0.00 C ATOM 558 CG LYS A 545 -1.897 7.656 -6.924 1.00 0.00 C ATOM 559 CD LYS A 545 -0.901 8.435 -6.053 1.00 0.00 C ATOM 560 CE LYS A 545 -0.792 9.891 -6.542 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.272 9.984 -7.921 1.00 0.00 N ATOM 0 H LYS A 545 -4.851 7.220 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.143 5.663 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.937 6.787 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.678 5.765 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.398 7.315 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.705 8.319 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.225 8.417 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.078 7.957 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.774 10.362 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -0.138 10.449 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.153 10.984 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.646 9.499 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 -0.943 9.534 -8.576 1.00 0.00 H new ATOM 575 N LEU A 546 -3.060 3.340 -7.057 1.00 0.00 N ATOM 576 CA LEU A 546 -3.161 1.948 -6.641 1.00 0.00 C ATOM 577 C LEU A 546 -2.576 1.814 -5.233 1.00 0.00 C ATOM 578 O LEU A 546 -1.538 2.417 -4.932 1.00 0.00 O ATOM 579 CB LEU A 546 -2.395 1.069 -7.645 1.00 0.00 C ATOM 580 CG LEU A 546 -2.594 -0.451 -7.462 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.955 -0.901 -7.998 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.492 -1.201 -8.217 1.00 0.00 C ATOM 0 H LEU A 546 -2.419 3.492 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 546 -4.201 1.623 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.703 1.342 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.331 1.294 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 546 -2.548 -0.674 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -4.065 -1.976 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.748 -0.380 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -4.023 -0.668 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.630 -2.275 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.543 -0.952 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.518 -0.911 -7.822 1.00 0.00 H new ATOM 594 N MET A 547 -3.181 0.977 -4.392 1.00 0.00 N ATOM 595 CA MET A 547 -2.753 0.753 -3.019 1.00 0.00 C ATOM 596 C MET A 547 -2.365 -0.724 -2.828 1.00 0.00 C ATOM 597 O MET A 547 -3.202 -1.541 -2.447 1.00 0.00 O ATOM 598 CB MET A 547 -3.850 1.233 -2.059 1.00 0.00 C ATOM 599 CG MET A 547 -3.272 1.546 -0.679 1.00 0.00 C ATOM 600 SD MET A 547 -4.461 2.335 0.441 1.00 0.00 S ATOM 601 CE MET A 547 -3.819 1.814 2.046 1.00 0.00 C ATOM 0 H MET A 547 -3.998 0.426 -4.655 1.00 0.00 H new ATOM 0 HA MET A 547 -1.860 1.335 -2.790 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.331 2.123 -2.466 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.620 0.467 -1.969 1.00 0.00 H new ATOM 0 HG2 MET A 547 -2.915 0.621 -0.225 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.407 2.198 -0.796 1.00 0.00 H new ATOM 0 HE1 MET A 547 -4.199 2.478 2.823 1.00 0.00 H new ATOM 0 HE2 MET A 547 -4.140 0.793 2.252 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.730 1.856 2.033 1.00 0.00 H new ATOM 611 N PRO A 548 -1.118 -1.128 -3.115 1.00 0.00 N ATOM 612 CA PRO A 548 -0.643 -2.473 -2.812 1.00 0.00 C ATOM 613 C PRO A 548 -0.834 -2.837 -1.341 1.00 0.00 C ATOM 614 O PRO A 548 -0.517 -2.017 -0.473 1.00 0.00 O ATOM 615 CB PRO A 548 0.838 -2.483 -3.176 1.00 0.00 C ATOM 616 CG PRO A 548 1.041 -1.292 -4.096 1.00 0.00 C ATOM 617 CD PRO A 548 -0.084 -0.329 -3.737 1.00 0.00 C ATOM 0 HA PRO A 548 -1.211 -3.213 -3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.461 -2.401 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 548 1.113 -3.413 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.018 -0.834 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 548 0.990 -1.588 -5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.270 0.447 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.463 0.175 -4.626 1.00 0.00 H new ATOM 625 N ILE A 549 -1.295 -4.057 -1.052 1.00 0.00 N ATOM 626 CA ILE A 549 -1.430 -4.564 0.313 1.00 0.00 C ATOM 627 C ILE A 549 -0.965 -6.020 0.306 1.00 0.00 C ATOM 628 O ILE A 549 -1.214 -6.727 -0.668 1.00 0.00 O ATOM 629 CB ILE A 549 -2.905 -4.454 0.754 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.481 -3.023 0.785 1.00 0.00 C ATOM 631 CG2 ILE A 549 -3.170 -5.163 2.087 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.945 -2.101 1.880 1.00 0.00 C ATOM 0 H ILE A 549 -1.587 -4.725 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.828 -3.988 1.016 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.443 -4.972 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.288 -2.556 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.563 -3.092 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -4.222 -5.056 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.925 -6.221 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.552 -4.717 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -3.423 -1.125 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -3.162 -2.532 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.867 -1.987 1.765 1.00 0.00 H new ATOM 644 N CYS A 550 -0.364 -6.497 1.399 1.00 0.00 N ATOM 645 CA CYS A 550 0.167 -7.846 1.535 1.00 0.00 C ATOM 646 C CYS A 550 -0.742 -8.645 2.477 1.00 0.00 C ATOM 647 O CYS A 550 -0.776 -8.376 3.675 1.00 0.00 O ATOM 648 CB CYS A 550 1.603 -7.747 2.063 1.00 0.00 C ATOM 649 SG CYS A 550 2.432 -9.336 1.840 1.00 0.00 S ATOM 0 H CYS A 550 -0.232 -5.932 2.238 1.00 0.00 H new ATOM 0 HA CYS A 550 0.190 -8.366 0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.144 -6.964 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.597 -7.472 3.118 1.00 0.00 H new ATOM 0 HG CYS A 550 2.516 -9.608 0.571 1.00 0.00 H new ATOM 655 N MET A 551 -1.494 -9.610 1.944 1.00 0.00 N ATOM 656 CA MET A 551 -2.636 -10.228 2.615 1.00 0.00 C ATOM 657 C MET A 551 -2.260 -11.171 3.765 1.00 0.00 C ATOM 658 O MET A 551 -3.144 -11.666 4.467 1.00 0.00 O ATOM 659 CB MET A 551 -3.559 -10.903 1.582 1.00 0.00 C ATOM 660 CG MET A 551 -3.035 -12.235 1.019 1.00 0.00 C ATOM 661 SD MET A 551 -4.321 -13.223 0.206 1.00 0.00 S ATOM 662 CE MET A 551 -4.676 -12.232 -1.262 1.00 0.00 C ATOM 0 H MET A 551 -1.321 -9.991 1.014 1.00 0.00 H new ATOM 0 HA MET A 551 -3.184 -9.421 3.102 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.531 -11.078 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.719 -10.213 0.754 1.00 0.00 H new ATOM 0 HG2 MET A 551 -2.237 -12.031 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.597 -12.817 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 551 -5.462 -12.713 -1.844 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.005 -11.238 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.775 -12.146 -1.870 1.00 0.00 H new ATOM 672 N ASP A 552 -0.971 -11.444 3.957 1.00 0.00 N ATOM 673 CA ASP A 552 -0.462 -12.114 5.151 1.00 0.00 C ATOM 674 C ASP A 552 -0.687 -11.236 6.382 1.00 0.00 C ATOM 675 O ASP A 552 -1.025 -11.756 7.441 1.00 0.00 O ATOM 676 CB ASP A 552 1.011 -12.456 4.926 1.00 0.00 C ATOM 677 CG ASP A 552 1.691 -13.293 6.017 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.522 -13.060 7.232 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.450 -14.218 5.654 1.00 0.00 O ATOM 0 H ASP A 552 -0.245 -11.204 3.282 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.000 -13.044 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.097 -12.992 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.565 -11.524 4.815 1.00 0.00 H new ATOM 684 N VAL A 553 -0.599 -9.907 6.239 1.00 0.00 N ATOM 685 CA VAL A 553 -0.714 -8.941 7.328 1.00 0.00 C ATOM 686 C VAL A 553 -2.189 -8.774 7.714 1.00 0.00 C ATOM 687 O VAL A 553 -2.833 -7.774 7.395 1.00 0.00 O ATOM 688 CB VAL A 553 -0.015 -7.614 6.949 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.156 -6.716 8.185 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.383 -7.848 6.350 1.00 0.00 C ATOM 0 H VAL A 553 -0.441 -9.466 5.333 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.197 -9.307 8.215 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.654 -7.135 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.650 -5.788 7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -0.823 -6.489 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.762 -7.233 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.836 -6.889 6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 553 2.008 -8.366 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.296 -8.455 5.449 1.00 0.00 H new ATOM 700 N ARG A 554 -2.746 -9.765 8.412 1.00 0.00 N ATOM 701 CA ARG A 554 -4.166 -9.844 8.752 1.00 0.00 C ATOM 702 C ARG A 554 -4.648 -8.626 9.534 1.00 0.00 C ATOM 703 O ARG A 554 -5.838 -8.317 9.465 1.00 0.00 O ATOM 704 CB ARG A 554 -4.452 -11.140 9.529 1.00 0.00 C ATOM 705 CG ARG A 554 -4.403 -12.408 8.661 1.00 0.00 C ATOM 706 CD ARG A 554 -5.672 -12.582 7.813 1.00 0.00 C ATOM 707 NE ARG A 554 -5.479 -13.606 6.779 1.00 0.00 N ATOM 708 CZ ARG A 554 -6.370 -14.027 5.875 1.00 0.00 C ATOM 709 NH1 ARG A 554 -7.618 -13.583 5.872 1.00 0.00 N ATOM 710 NH2 ARG A 554 -5.994 -14.879 4.931 1.00 0.00 N ATOM 0 H ARG A 554 -2.207 -10.555 8.765 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.725 -9.856 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.726 -11.236 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.436 -11.066 9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.533 -12.364 8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.274 -13.280 9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.507 -12.862 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -5.934 -11.633 7.345 1.00 0.00 H new ATOM 0 HE ARG A 554 -4.560 -14.047 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -7.919 -12.904 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -8.278 -13.921 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -5.030 -15.210 4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -6.669 -15.204 4.239 1.00 0.00 H new ATOM 724 N ALA A 555 -3.759 -7.920 10.240 1.00 0.00 N ATOM 725 CA ALA A 555 -4.098 -6.684 10.927 1.00 0.00 C ATOM 726 C ALA A 555 -4.592 -5.620 9.944 1.00 0.00 C ATOM 727 O ALA A 555 -5.667 -5.053 10.154 1.00 0.00 O ATOM 728 CB ALA A 555 -2.903 -6.188 11.749 1.00 0.00 C ATOM 0 H ALA A 555 -2.783 -8.196 10.347 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.919 -6.885 11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -3.171 -5.262 12.258 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.631 -6.942 12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -2.056 -6.006 11.087 1.00 0.00 H new ATOM 734 N ILE A 556 -3.833 -5.384 8.870 1.00 0.00 N ATOM 735 CA ILE A 556 -4.205 -4.494 7.776 1.00 0.00 C ATOM 736 C ILE A 556 -5.506 -5.009 7.159 1.00 0.00 C ATOM 737 O ILE A 556 -6.427 -4.219 6.933 1.00 0.00 O ATOM 738 CB ILE A 556 -3.032 -4.399 6.767 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.883 -3.574 7.391 1.00 0.00 C ATOM 740 CG2 ILE A 556 -3.491 -3.786 5.440 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.634 -3.458 6.507 1.00 0.00 C ATOM 0 H ILE A 556 -2.920 -5.820 8.738 1.00 0.00 H new ATOM 0 HA ILE A 556 -4.390 -3.478 8.125 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.671 -5.404 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -2.250 -2.572 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.600 -4.028 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.647 -3.732 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -4.275 -4.406 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.879 -2.783 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.122 -2.864 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.237 -4.453 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.898 -2.975 5.566 1.00 0.00 H new ATOM 753 N MET A 557 -5.608 -6.318 6.901 1.00 0.00 N ATOM 754 CA MET A 557 -6.752 -6.860 6.182 1.00 0.00 C ATOM 755 C MET A 557 -8.042 -6.610 6.945 1.00 0.00 C ATOM 756 O MET A 557 -9.030 -6.187 6.347 1.00 0.00 O ATOM 757 CB MET A 557 -6.569 -8.352 5.877 1.00 0.00 C ATOM 758 CG MET A 557 -5.234 -8.653 5.194 1.00 0.00 C ATOM 759 SD MET A 557 -4.763 -7.500 3.883 1.00 0.00 S ATOM 760 CE MET A 557 -6.205 -7.656 2.818 1.00 0.00 C ATOM 0 H MET A 557 -4.914 -7.012 7.180 1.00 0.00 H new ATOM 0 HA MET A 557 -6.819 -6.338 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.634 -8.920 6.805 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.384 -8.691 5.238 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.450 -8.658 5.951 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.277 -9.658 4.774 1.00 0.00 H new ATOM 0 HE1 MET A 557 -6.155 -6.908 2.026 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.225 -8.652 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 557 -7.110 -7.502 3.406 1.00 0.00 H new ATOM 770 N ALA A 558 -8.024 -6.796 8.264 1.00 0.00 N ATOM 771 CA ALA A 558 -9.172 -6.510 9.097 1.00 0.00 C ATOM 772 C ALA A 558 -9.559 -5.026 9.013 1.00 0.00 C ATOM 773 O ALA A 558 -10.749 -4.727 8.896 1.00 0.00 O ATOM 774 CB ALA A 558 -8.893 -6.974 10.524 1.00 0.00 C ATOM 0 H ALA A 558 -7.214 -7.147 8.775 1.00 0.00 H new ATOM 0 HA ALA A 558 -10.037 -7.065 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.757 -6.759 11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.701 -8.047 10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -8.021 -6.448 10.914 1.00 0.00 H new ATOM 780 N THR A 559 -8.601 -4.094 8.991 1.00 0.00 N ATOM 781 CA THR A 559 -8.892 -2.663 8.900 1.00 0.00 C ATOM 782 C THR A 559 -9.605 -2.338 7.575 1.00 0.00 C ATOM 783 O THR A 559 -10.542 -1.525 7.555 1.00 0.00 O ATOM 784 CB THR A 559 -7.591 -1.855 9.082 1.00 0.00 C ATOM 785 OG1 THR A 559 -7.003 -2.162 10.331 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.858 -0.347 9.061 1.00 0.00 C ATOM 0 H THR A 559 -7.605 -4.311 9.036 1.00 0.00 H new ATOM 0 HA THR A 559 -9.574 -2.377 9.701 1.00 0.00 H new ATOM 0 HB THR A 559 -6.930 -2.122 8.257 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.604 -3.056 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.919 0.191 9.192 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.305 -0.070 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.541 -0.087 9.870 1.00 0.00 H new ATOM 794 N ILE A 560 -9.172 -2.970 6.477 1.00 0.00 N ATOM 795 CA ILE A 560 -9.744 -2.844 5.142 1.00 0.00 C ATOM 796 C ILE A 560 -11.154 -3.431 5.161 1.00 0.00 C ATOM 797 O ILE A 560 -12.116 -2.683 4.993 1.00 0.00 O ATOM 798 CB ILE A 560 -8.801 -3.518 4.116 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.501 -2.693 4.007 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.443 -3.678 2.724 1.00 0.00 C ATOM 801 CD1 ILE A 560 -6.415 -3.368 3.168 1.00 0.00 C ATOM 0 H ILE A 560 -8.378 -3.610 6.502 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.834 -1.802 4.837 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.588 -4.524 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.733 -1.721 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -7.112 -2.509 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.733 -4.156 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -10.339 -4.294 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.712 -2.697 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.531 -2.731 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -6.154 -4.328 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.784 -3.527 2.155 1.00 0.00 H new ATOM 813 N GLN A 561 -11.301 -4.741 5.389 1.00 0.00 N ATOM 814 CA GLN A 561 -12.595 -5.416 5.282 1.00 0.00 C ATOM 815 C GLN A 561 -13.617 -4.858 6.293 1.00 0.00 C ATOM 816 O GLN A 561 -14.820 -5.068 6.153 1.00 0.00 O ATOM 817 CB GLN A 561 -12.452 -6.930 5.499 1.00 0.00 C ATOM 818 CG GLN A 561 -11.457 -7.694 4.608 1.00 0.00 C ATOM 819 CD GLN A 561 -11.365 -9.124 5.101 1.00 0.00 C ATOM 820 OE1 GLN A 561 -10.733 -9.397 6.116 1.00 0.00 O ATOM 821 NE2 GLN A 561 -11.980 -10.061 4.403 1.00 0.00 N ATOM 0 H GLN A 561 -10.532 -5.357 5.651 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.960 -5.227 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -12.164 -7.093 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -13.435 -7.381 5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.786 -7.673 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -10.477 -7.218 4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -12.500 -9.812 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -11.935 -11.034 4.705 1.00 0.00 H new ATOM 830 N ARG A 562 -13.171 -4.148 7.337 1.00 0.00 N ATOM 831 CA ARG A 562 -14.051 -3.448 8.266 1.00 0.00 C ATOM 832 C ARG A 562 -14.589 -2.154 7.660 1.00 0.00 C ATOM 833 O ARG A 562 -15.729 -1.782 7.946 1.00 0.00 O ATOM 834 CB ARG A 562 -13.305 -3.219 9.590 1.00 0.00 C ATOM 835 CG ARG A 562 -14.191 -2.632 10.687 1.00 0.00 C ATOM 836 CD ARG A 562 -14.147 -1.108 10.739 1.00 0.00 C ATOM 837 NE ARG A 562 -15.100 -0.623 11.734 1.00 0.00 N ATOM 838 CZ ARG A 562 -16.405 -0.447 11.521 1.00 0.00 C ATOM 839 NH1 ARG A 562 -16.965 -0.648 10.331 1.00 0.00 N ATOM 840 NH2 ARG A 562 -17.170 -0.066 12.526 1.00 0.00 N ATOM 0 H ARG A 562 -12.180 -4.046 7.558 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.927 -4.063 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.891 -4.167 9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.464 -2.549 9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -15.220 -2.955 10.527 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.878 -3.032 11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.141 -0.772 10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.386 -0.694 9.760 1.00 0.00 H new ATOM 0 HE ARG A 562 -14.740 -0.402 12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -16.392 -0.947 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -17.967 -0.503 10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -16.761 0.089 13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -18.170 0.073 12.381 1.00 0.00 H new ATOM 854 N LYS A 563 -13.791 -1.420 6.878 1.00 0.00 N ATOM 855 CA LYS A 563 -14.260 -0.231 6.172 1.00 0.00 C ATOM 856 C LYS A 563 -15.278 -0.637 5.106 1.00 0.00 C ATOM 857 O LYS A 563 -16.388 -0.105 5.058 1.00 0.00 O ATOM 858 CB LYS A 563 -13.069 0.480 5.491 1.00 0.00 C ATOM 859 CG LYS A 563 -13.106 2.003 5.623 1.00 0.00 C ATOM 860 CD LYS A 563 -12.656 2.484 7.001 1.00 0.00 C ATOM 861 CE LYS A 563 -11.209 2.074 7.304 1.00 0.00 C ATOM 862 NZ LYS A 563 -11.129 1.202 8.497 1.00 0.00 N ATOM 0 H LYS A 563 -12.807 -1.635 6.719 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.726 0.447 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -12.140 0.109 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -13.056 0.216 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.465 2.446 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.119 2.356 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.745 3.569 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.317 2.072 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.790 1.553 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.603 2.966 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.317 1.487 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -12.004 1.292 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -11.010 0.213 8.197 1.00 0.00 H new ATOM 876 N TYR A 564 -14.870 -1.555 4.241 1.00 0.00 N ATOM 877 CA TYR A 564 -15.488 -1.910 2.991 1.00 0.00 C ATOM 878 C TYR A 564 -16.150 -3.232 3.316 1.00 0.00 C ATOM 879 O TYR A 564 -15.464 -4.227 3.492 1.00 0.00 O ATOM 880 CB TYR A 564 -14.399 -2.022 1.902 1.00 0.00 C ATOM 881 CG TYR A 564 -13.474 -0.816 1.811 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.956 0.381 1.255 1.00 0.00 C ATOM 883 CD2 TYR A 564 -12.163 -0.867 2.339 1.00 0.00 C ATOM 884 CE1 TYR A 564 -13.140 1.524 1.229 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.366 0.296 2.390 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.862 1.490 1.823 1.00 0.00 C ATOM 887 OH TYR A 564 -11.119 2.617 1.899 1.00 0.00 O ATOM 0 H TYR A 564 -14.032 -2.109 4.418 1.00 0.00 H new ATOM 0 HA TYR A 564 -16.207 -1.189 2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.799 -2.911 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.882 -2.168 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.955 0.422 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.769 -1.803 2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.491 2.428 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.392 0.273 2.855 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.524 3.233 2.545 1.00 0.00 H new ATOM 897 N LYS A 565 -17.448 -3.240 3.582 1.00 0.00 N ATOM 898 CA LYS A 565 -18.191 -4.450 3.886 1.00 0.00 C ATOM 899 C LYS A 565 -18.131 -5.460 2.742 1.00 0.00 C ATOM 900 O LYS A 565 -17.841 -5.088 1.604 1.00 0.00 O ATOM 901 CB LYS A 565 -19.599 -4.054 4.315 1.00 0.00 C ATOM 902 CG LYS A 565 -20.497 -3.725 3.129 1.00 0.00 C ATOM 903 CD LYS A 565 -21.954 -3.478 3.536 1.00 0.00 C ATOM 904 CE LYS A 565 -22.086 -2.292 4.499 1.00 0.00 C ATOM 905 NZ LYS A 565 -23.370 -2.321 5.225 1.00 0.00 N ATOM 0 H LYS A 565 -18.020 -2.395 3.592 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.732 -4.982 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -20.043 -4.867 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.545 -3.190 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.112 -2.840 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.459 -4.545 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -22.553 -3.290 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -22.356 -4.375 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -21.263 -2.310 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -22.004 -1.359 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -23.424 -1.504 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -24.155 -2.279 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -23.437 -3.200 5.777 1.00 0.00 H new ATOM 919 N GLY A 566 -18.495 -6.710 3.021 1.00 0.00 N ATOM 920 CA GLY A 566 -18.649 -7.744 2.010 1.00 0.00 C ATOM 921 C GLY A 566 -17.316 -8.417 1.709 1.00 0.00 C ATOM 922 O GLY A 566 -17.181 -9.621 1.914 1.00 0.00 O ATOM 0 H GLY A 566 -18.693 -7.033 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.367 -8.489 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.054 -7.307 1.097 1.00 0.00 H new ATOM 926 N ILE A 567 -16.337 -7.626 1.280 1.00 0.00 N ATOM 927 CA ILE A 567 -15.025 -8.028 0.784 1.00 0.00 C ATOM 928 C ILE A 567 -14.380 -9.153 1.617 1.00 0.00 C ATOM 929 O ILE A 567 -14.271 -9.061 2.848 1.00 0.00 O ATOM 930 CB ILE A 567 -14.165 -6.757 0.683 1.00 0.00 C ATOM 931 CG1 ILE A 567 -12.857 -7.025 -0.050 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.876 -6.147 2.043 1.00 0.00 C ATOM 933 CD1 ILE A 567 -11.808 -5.926 0.062 1.00 0.00 C ATOM 0 H ILE A 567 -16.449 -6.612 1.269 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.120 -8.479 -0.204 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.751 -6.039 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -12.430 -7.952 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.078 -7.187 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.266 -5.252 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.815 -5.881 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.340 -6.869 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -10.917 -6.216 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.207 -4.999 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.549 -5.776 1.110 1.00 0.00 H new ATOM 945 N LYS A 568 -13.893 -10.213 0.960 1.00 0.00 N ATOM 946 CA LYS A 568 -13.547 -11.478 1.633 1.00 0.00 C ATOM 947 C LYS A 568 -12.209 -12.057 1.159 1.00 0.00 C ATOM 948 O LYS A 568 -12.059 -13.264 1.000 1.00 0.00 O ATOM 949 CB LYS A 568 -14.746 -12.442 1.512 1.00 0.00 C ATOM 950 CG LYS A 568 -14.766 -13.487 2.644 1.00 0.00 C ATOM 951 CD LYS A 568 -16.188 -14.008 2.890 1.00 0.00 C ATOM 952 CE LYS A 568 -16.195 -15.067 3.999 1.00 0.00 C ATOM 953 NZ LYS A 568 -17.563 -15.473 4.379 1.00 0.00 N ATOM 0 H LYS A 568 -13.727 -10.222 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.373 -11.297 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -15.674 -11.870 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -14.705 -12.952 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -14.110 -14.319 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.374 -13.043 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -16.841 -13.180 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -16.588 -14.435 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -15.638 -15.943 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -15.678 -14.675 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -17.516 -16.190 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -18.088 -14.644 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -18.049 -15.872 3.551 1.00 0.00 H new ATOM 967 N ILE A 569 -11.215 -11.166 1.044 1.00 0.00 N ATOM 968 CA ILE A 569 -9.826 -11.342 0.588 1.00 0.00 C ATOM 969 C ILE A 569 -9.719 -12.155 -0.707 1.00 0.00 C ATOM 970 O ILE A 569 -10.067 -13.329 -0.769 1.00 0.00 O ATOM 971 CB ILE A 569 -8.885 -11.821 1.712 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.019 -10.994 3.008 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.420 -11.761 1.244 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.102 -9.473 2.790 1.00 0.00 C ATOM 0 H ILE A 569 -11.383 -10.192 1.297 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.464 -10.349 0.322 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.180 -12.846 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -9.911 -11.321 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.166 -11.210 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -6.767 -12.102 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.290 -12.403 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.164 -10.735 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.194 -8.972 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.199 -9.128 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.972 -9.240 2.175 1.00 0.00 H new ATOM 986 N GLN A 570 -9.266 -11.478 -1.755 1.00 0.00 N ATOM 987 CA GLN A 570 -9.331 -11.900 -3.141 1.00 0.00 C ATOM 988 C GLN A 570 -7.960 -11.549 -3.700 1.00 0.00 C ATOM 989 O GLN A 570 -7.528 -10.413 -3.519 1.00 0.00 O ATOM 990 CB GLN A 570 -10.458 -11.145 -3.888 1.00 0.00 C ATOM 991 CG GLN A 570 -11.618 -10.599 -3.032 1.00 0.00 C ATOM 992 CD GLN A 570 -11.387 -9.186 -2.517 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.962 -8.957 -1.273 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.632 -8.234 -3.235 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.818 -10.568 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.560 -12.960 -3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -10.009 -10.309 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.877 -11.816 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -12.533 -10.615 -3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.776 -11.264 -2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.958 -8.386 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.511 -7.285 -2.882 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.218 -12.489 -4.272 1.00 0.00 N ATOM 1004 CA GLU A 571 -5.920 -12.150 -4.831 1.00 0.00 C ATOM 1005 C GLU A 571 -6.118 -11.597 -6.245 1.00 0.00 C ATOM 1006 O GLU A 571 -7.137 -11.883 -6.885 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.005 -13.372 -4.760 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.525 -13.009 -4.957 1.00 0.00 C ATOM 1009 CD GLU A 571 -2.950 -13.495 -6.288 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.152 -14.680 -6.646 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.262 -12.690 -6.955 1.00 0.00 O ATOM 0 H GLU A 571 -7.486 -13.469 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.426 -11.366 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.131 -13.861 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.304 -14.091 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.413 -11.926 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -2.942 -13.436 -4.141 1.00 0.00 H new ATOM 1018 N GLY A 572 -5.140 -10.817 -6.714 1.00 0.00 N ATOM 1019 CA GLY A 572 -5.162 -10.122 -7.987 1.00 0.00 C ATOM 1020 C GLY A 572 -6.155 -8.972 -7.950 1.00 0.00 C ATOM 1021 O GLY A 572 -7.355 -9.206 -8.006 1.00 0.00 O ATOM 0 H GLY A 572 -4.281 -10.651 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -4.166 -9.743 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.431 -10.817 -8.783 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.616 -7.748 -7.908 1.00 0.00 N ATOM 1026 CA ILE A 573 -6.236 -6.453 -8.172 1.00 0.00 C ATOM 1027 C ILE A 573 -7.647 -6.334 -7.583 1.00 0.00 C ATOM 1028 O ILE A 573 -8.615 -6.819 -8.160 1.00 0.00 O ATOM 1029 CB ILE A 573 -6.120 -6.166 -9.680 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.631 -6.022 -10.083 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.845 -4.860 -10.021 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.381 -6.226 -11.574 1.00 0.00 C ATOM 0 H ILE A 573 -4.633 -7.633 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.703 -5.662 -7.645 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.571 -6.996 -10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.280 -5.031 -9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.039 -6.745 -9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.758 -4.664 -11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.898 -4.947 -9.752 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.395 -4.038 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.318 -6.111 -11.784 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.701 -7.227 -11.863 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.945 -5.486 -12.142 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.756 -5.656 -6.441 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.977 -5.557 -5.655 1.00 0.00 C ATOM 1046 C VAL A 574 -9.446 -4.108 -5.717 1.00 0.00 C ATOM 1047 O VAL A 574 -9.045 -3.275 -4.912 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.708 -6.117 -4.234 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.800 -5.750 -3.231 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.547 -7.646 -4.235 1.00 0.00 C ATOM 0 H VAL A 574 -6.973 -5.148 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.795 -6.163 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.774 -5.648 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.555 -6.171 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.871 -4.665 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.755 -6.152 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.360 -7.993 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.459 -8.108 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.708 -7.923 -4.873 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.282 -3.799 -6.701 1.00 0.00 N ATOM 1061 CA ASP A 575 -10.995 -2.535 -6.813 1.00 0.00 C ATOM 1062 C ASP A 575 -12.223 -2.601 -5.912 1.00 0.00 C ATOM 1063 O ASP A 575 -13.306 -3.018 -6.331 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.341 -2.276 -8.276 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.035 -0.926 -8.458 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -11.403 0.112 -8.154 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -13.188 -0.905 -8.951 1.00 0.00 O ATOM 0 H ASP A 575 -10.488 -4.442 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.382 -1.696 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.431 -2.302 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -11.989 -3.072 -8.644 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.042 -2.265 -4.636 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.059 -2.456 -3.612 1.00 0.00 C ATOM 1074 C TYR A 576 -13.019 -1.269 -2.657 1.00 0.00 C ATOM 1075 O TYR A 576 -12.323 -1.298 -1.640 1.00 0.00 O ATOM 1076 CB TYR A 576 -12.876 -3.830 -2.932 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.175 -4.463 -2.493 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.042 -3.781 -1.620 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -14.504 -5.751 -2.949 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.234 -4.392 -1.203 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -15.698 -6.362 -2.543 1.00 0.00 C ATOM 1082 CZ TYR A 576 -16.575 -5.684 -1.667 1.00 0.00 C ATOM 1083 OH TYR A 576 -17.704 -6.299 -1.221 1.00 0.00 O ATOM 0 H TYR A 576 -11.179 -1.850 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.060 -2.480 -4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.368 -4.503 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.226 -3.713 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.791 -2.790 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -13.833 -6.273 -3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.895 -3.873 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -15.948 -7.350 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 576 -17.901 -6.000 -0.309 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.718 -0.187 -3.009 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.693 1.072 -2.277 1.00 0.00 C ATOM 1095 C GLY A 577 -12.457 1.897 -2.619 1.00 0.00 C ATOM 1096 O GLY A 577 -12.558 3.097 -2.869 1.00 0.00 O ATOM 0 H GLY A 577 -14.327 -0.166 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.590 1.646 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.712 0.871 -1.206 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.302 1.249 -2.688 1.00 0.00 N ATOM 1101 CA VAL A 578 -10.020 1.755 -3.143 1.00 0.00 C ATOM 1102 C VAL A 578 -9.487 0.691 -4.101 1.00 0.00 C ATOM 1103 O VAL A 578 -9.782 -0.496 -3.934 1.00 0.00 O ATOM 1104 CB VAL A 578 -9.130 1.969 -1.896 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.636 2.062 -2.226 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.548 3.224 -1.113 1.00 0.00 C ATOM 0 H VAL A 578 -11.236 0.272 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 578 -10.063 2.712 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.283 1.082 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -7.069 2.212 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.311 1.139 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.464 2.901 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.901 3.343 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -9.458 4.100 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.582 3.120 -0.784 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.700 1.093 -5.104 1.00 0.00 N ATOM 1117 CA ARG A 579 -8.039 0.142 -5.986 1.00 0.00 C ATOM 1118 C ARG A 579 -6.824 -0.413 -5.258 1.00 0.00 C ATOM 1119 O ARG A 579 -5.728 0.146 -5.334 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.730 0.790 -7.340 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.594 -0.281 -8.436 1.00 0.00 C ATOM 1122 CD ARG A 579 -7.084 0.361 -9.727 1.00 0.00 C ATOM 1123 NE ARG A 579 -6.916 -0.607 -10.827 1.00 0.00 N ATOM 1124 CZ ARG A 579 -6.087 -0.453 -11.871 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -5.245 0.578 -11.900 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -6.118 -1.312 -12.886 1.00 0.00 N ATOM 0 H ARG A 579 -8.509 2.071 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.687 -0.702 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.524 1.489 -7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.807 1.366 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.906 -1.062 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.558 -0.758 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -7.781 1.139 -10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -6.129 0.848 -9.531 1.00 0.00 H new ATOM 0 HE ARG A 579 -7.474 -1.460 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -5.232 1.247 -11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -4.613 0.698 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -6.774 -2.093 -12.873 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -5.486 -1.190 -13.677 1.00 0.00 H new ATOM 1140 N PHE A 580 -7.017 -1.475 -4.490 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.937 -2.218 -3.883 1.00 0.00 C ATOM 1142 C PHE A 580 -5.317 -3.202 -4.889 1.00 0.00 C ATOM 1143 O PHE A 580 -5.837 -3.438 -5.980 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.431 -2.947 -2.630 1.00 0.00 C ATOM 1145 CG PHE A 580 -7.029 -2.082 -1.533 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -6.194 -1.308 -0.703 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.417 -2.091 -1.300 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.729 -0.602 0.386 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.960 -1.359 -0.230 1.00 0.00 C ATOM 1150 CZ PHE A 580 -8.115 -0.622 0.619 1.00 0.00 C ATOM 0 H PHE A 580 -7.942 -1.845 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 580 -5.159 -1.516 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.180 -3.678 -2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.595 -3.504 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -5.134 -1.258 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -9.067 -2.662 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -6.077 -0.045 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -10.026 -1.362 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.531 -0.072 1.450 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.208 -3.827 -4.494 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.461 -4.822 -5.251 1.00 0.00 C ATOM 1162 C PHE A 581 -2.965 -5.851 -4.238 1.00 0.00 C ATOM 1163 O PHE A 581 -2.113 -5.522 -3.413 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.315 -4.157 -6.035 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.270 -5.116 -6.581 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.494 -5.763 -7.806 1.00 0.00 C ATOM 1167 CD2 PHE A 581 -0.087 -5.389 -5.862 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.572 -6.708 -8.279 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.853 -6.318 -6.349 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.593 -7.001 -7.548 1.00 0.00 C ATOM 0 H PHE A 581 -3.786 -3.639 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 581 -4.080 -5.313 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.741 -3.596 -6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.820 -3.436 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.377 -5.533 -8.385 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.100 -4.880 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.759 -7.216 -9.214 1.00 0.00 H new ATOM 0 HE2 PHE A 581 1.767 -6.504 -5.804 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.285 -7.748 -7.907 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.558 -7.046 -4.243 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.203 -8.175 -3.388 1.00 0.00 C ATOM 1182 C PHE A 582 -2.475 -9.263 -4.201 1.00 0.00 C ATOM 1183 O PHE A 582 -2.621 -9.332 -5.426 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.457 -8.779 -2.714 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.333 -7.922 -1.802 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.018 -6.593 -1.473 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.519 -8.478 -1.287 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.921 -5.814 -0.720 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.427 -7.703 -0.546 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.140 -6.356 -0.286 1.00 0.00 C ATOM 0 H PHE A 582 -4.332 -7.260 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.535 -7.804 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.097 -9.162 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.127 -9.638 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.081 -6.166 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.735 -9.521 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.672 -4.792 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.342 -8.143 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.852 -5.740 0.244 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.709 -10.110 -3.505 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.739 -11.079 -4.036 1.00 0.00 C ATOM 1202 C TYR A 583 -0.455 -12.172 -2.983 1.00 0.00 C ATOM 1203 O TYR A 583 -1.292 -12.418 -2.114 1.00 0.00 O ATOM 1204 CB TYR A 583 0.531 -10.334 -4.483 1.00 0.00 C ATOM 1205 CG TYR A 583 1.042 -9.300 -3.503 1.00 0.00 C ATOM 1206 CD1 TYR A 583 0.524 -7.996 -3.568 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.009 -9.628 -2.533 1.00 0.00 C ATOM 1208 CE1 TYR A 583 0.960 -7.015 -2.674 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.466 -8.641 -1.641 1.00 0.00 C ATOM 1210 CZ TYR A 583 1.940 -7.331 -1.714 1.00 0.00 C ATOM 1211 OH TYR A 583 2.395 -6.357 -0.888 1.00 0.00 O ATOM 0 H TYR A 583 -1.752 -10.140 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 583 -1.146 -11.585 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.320 -11.065 -4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.330 -9.843 -5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 583 -0.217 -7.750 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.398 -10.634 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 583 0.547 -6.018 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.216 -8.883 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 583 1.686 -5.698 -0.738 1.00 0.00 H new ATOM 1221 N THR A 584 0.678 -12.875 -3.070 1.00 0.00 N ATOM 1222 CA THR A 584 1.086 -13.957 -2.177 1.00 0.00 C ATOM 1223 C THR A 584 2.318 -13.536 -1.365 1.00 0.00 C ATOM 1224 O THR A 584 3.407 -13.465 -1.926 1.00 0.00 O ATOM 1225 CB THR A 584 1.393 -15.223 -3.014 1.00 0.00 C ATOM 1226 OG1 THR A 584 2.005 -14.981 -4.274 1.00 0.00 O ATOM 1227 CG2 THR A 584 0.138 -16.027 -3.338 1.00 0.00 C ATOM 0 H THR A 584 1.366 -12.694 -3.801 1.00 0.00 H new ATOM 0 HA THR A 584 0.278 -14.178 -1.480 1.00 0.00 H new ATOM 0 HB THR A 584 2.082 -15.761 -2.363 1.00 0.00 H new ATOM 0 HG1 THR A 584 2.508 -14.140 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 584 0.409 -16.904 -3.926 1.00 0.00 H new ATOM 0 HG22 THR A 584 -0.340 -16.345 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.554 -15.407 -3.909 1.00 0.00 H new ATOM 1235 N SER A 585 2.198 -13.279 -0.056 1.00 0.00 N ATOM 1236 CA SER A 585 3.347 -12.910 0.779 1.00 0.00 C ATOM 1237 C SER A 585 4.466 -13.961 0.776 1.00 0.00 C ATOM 1238 O SER A 585 5.630 -13.621 1.008 1.00 0.00 O ATOM 1239 CB SER A 585 2.870 -12.684 2.212 1.00 0.00 C ATOM 1240 OG SER A 585 3.771 -11.885 2.957 1.00 0.00 O ATOM 0 H SER A 585 1.313 -13.320 0.449 1.00 0.00 H new ATOM 0 HA SER A 585 3.770 -12.000 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 585 1.891 -12.205 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.746 -13.647 2.708 1.00 0.00 H new ATOM 0 HG SER A 585 3.601 -10.938 2.769 1.00 0.00 H new ATOM 1246 N LYS A 586 4.145 -15.237 0.525 1.00 0.00 N ATOM 1247 CA LYS A 586 5.154 -16.285 0.426 1.00 0.00 C ATOM 1248 C LYS A 586 6.131 -16.037 -0.708 1.00 0.00 C ATOM 1249 O LYS A 586 7.301 -16.403 -0.580 1.00 0.00 O ATOM 1250 CB LYS A 586 4.516 -17.674 0.384 1.00 0.00 C ATOM 1251 CG LYS A 586 3.552 -18.009 -0.758 1.00 0.00 C ATOM 1252 CD LYS A 586 4.197 -18.376 -2.107 1.00 0.00 C ATOM 1253 CE LYS A 586 3.278 -19.327 -2.887 1.00 0.00 C ATOM 1254 NZ LYS A 586 3.770 -19.593 -4.255 1.00 0.00 N ATOM 0 H LYS A 586 3.189 -15.563 0.387 1.00 0.00 H new ATOM 0 HA LYS A 586 5.753 -16.251 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 586 5.322 -18.407 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 586 3.980 -17.819 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 586 2.922 -18.841 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 586 2.895 -17.153 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 586 4.379 -17.473 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 586 5.165 -18.848 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 586 3.192 -20.269 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 586 2.278 -18.898 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 3.115 -20.240 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 3.828 -18.699 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 4.713 -20.028 -4.206 1.00 0.00 H new ATOM 1268 N GLU A 587 5.680 -15.422 -1.797 1.00 0.00 N ATOM 1269 CA GLU A 587 6.592 -15.093 -2.885 1.00 0.00 C ATOM 1270 C GLU A 587 7.559 -13.998 -2.412 1.00 0.00 C ATOM 1271 O GLU A 587 7.260 -13.281 -1.455 1.00 0.00 O ATOM 1272 CB GLU A 587 5.860 -14.752 -4.194 1.00 0.00 C ATOM 1273 CG GLU A 587 5.555 -13.265 -4.391 1.00 0.00 C ATOM 1274 CD GLU A 587 4.416 -13.093 -5.397 1.00 0.00 C ATOM 1275 OE1 GLU A 587 4.657 -13.328 -6.606 1.00 0.00 O ATOM 1276 OE2 GLU A 587 3.276 -12.755 -5.003 1.00 0.00 O ATOM 0 H GLU A 587 4.710 -15.147 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 587 7.179 -15.976 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 587 6.464 -15.099 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.923 -15.308 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.281 -12.812 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.446 -12.747 -4.746 1.00 0.00 H new ATOM 1283 N PRO A 588 8.744 -13.860 -3.016 1.00 0.00 N ATOM 1284 CA PRO A 588 9.751 -12.915 -2.569 1.00 0.00 C ATOM 1285 C PRO A 588 9.319 -11.474 -2.746 1.00 0.00 C ATOM 1286 O PRO A 588 8.405 -11.132 -3.496 1.00 0.00 O ATOM 1287 CB PRO A 588 11.007 -13.190 -3.380 1.00 0.00 C ATOM 1288 CG PRO A 588 10.769 -14.556 -3.992 1.00 0.00 C ATOM 1289 CD PRO A 588 9.251 -14.676 -4.088 1.00 0.00 C ATOM 0 HA PRO A 588 9.921 -13.048 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.158 -12.431 -4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.896 -13.187 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 588 11.236 -14.637 -4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 588 11.191 -15.347 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.888 -14.327 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.929 -15.712 -3.981 1.00 0.00 H new ATOM 1297 N VAL A 589 10.054 -10.612 -2.076 1.00 0.00 N ATOM 1298 CA VAL A 589 9.817 -9.180 -2.114 1.00 0.00 C ATOM 1299 C VAL A 589 10.292 -8.636 -3.467 1.00 0.00 C ATOM 1300 O VAL A 589 9.628 -7.793 -4.066 1.00 0.00 O ATOM 1301 CB VAL A 589 10.556 -8.515 -0.930 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.161 -7.041 -0.794 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.296 -9.210 0.417 1.00 0.00 C ATOM 0 H VAL A 589 10.839 -10.885 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 589 8.755 -8.955 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 589 11.617 -8.609 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.695 -6.597 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.419 -6.509 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.087 -6.966 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.844 -8.693 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.229 -9.184 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.630 -10.246 0.362 1.00 0.00 H new ATOM 1313 N ALA A 590 11.398 -9.148 -4.010 1.00 0.00 N ATOM 1314 CA ALA A 590 11.849 -8.725 -5.328 1.00 0.00 C ATOM 1315 C ALA A 590 10.843 -9.147 -6.408 1.00 0.00 C ATOM 1316 O ALA A 590 10.643 -8.417 -7.376 1.00 0.00 O ATOM 1317 CB ALA A 590 13.246 -9.276 -5.615 1.00 0.00 C ATOM 0 H ALA A 590 11.989 -9.848 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 590 11.909 -7.637 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.569 -8.951 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.945 -8.905 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.222 -10.365 -5.581 1.00 0.00 H new ATOM 1323 N SER A 591 10.183 -10.297 -6.251 1.00 0.00 N ATOM 1324 CA SER A 591 9.194 -10.817 -7.175 1.00 0.00 C ATOM 1325 C SER A 591 7.963 -9.927 -7.276 1.00 0.00 C ATOM 1326 O SER A 591 7.546 -9.616 -8.394 1.00 0.00 O ATOM 1327 CB SER A 591 8.805 -12.199 -6.671 1.00 0.00 C ATOM 1328 OG SER A 591 9.805 -13.127 -7.032 1.00 0.00 O ATOM 0 H SER A 591 10.334 -10.906 -5.447 1.00 0.00 H new ATOM 0 HA SER A 591 9.619 -10.856 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.682 -12.182 -5.588 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.846 -12.497 -7.096 1.00 0.00 H new ATOM 0 HG SER A 591 9.401 -14.011 -7.159 1.00 0.00 H new ATOM 1334 N ILE A 592 7.379 -9.523 -6.143 1.00 0.00 N ATOM 1335 CA ILE A 592 6.213 -8.654 -6.180 1.00 0.00 C ATOM 1336 C ILE A 592 6.613 -7.303 -6.784 1.00 0.00 C ATOM 1337 O ILE A 592 5.887 -6.777 -7.623 1.00 0.00 O ATOM 1338 CB ILE A 592 5.512 -8.565 -4.808 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.287 -7.817 -3.714 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.218 -9.959 -4.257 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.661 -6.456 -3.429 1.00 0.00 C ATOM 0 H ILE A 592 7.692 -9.782 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 592 5.451 -9.082 -6.832 1.00 0.00 H new ATOM 0 HB ILE A 592 4.608 -7.996 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.300 -8.413 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.324 -7.686 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.724 -9.871 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.568 -10.494 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.152 -10.508 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.231 -5.949 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.672 -5.853 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.632 -6.591 -3.096 1.00 0.00 H new ATOM 1353 N ILE A 593 7.805 -6.782 -6.465 1.00 0.00 N ATOM 1354 CA ILE A 593 8.335 -5.578 -7.098 1.00 0.00 C ATOM 1355 C ILE A 593 8.385 -5.771 -8.620 1.00 0.00 C ATOM 1356 O ILE A 593 7.859 -4.928 -9.345 1.00 0.00 O ATOM 1357 CB ILE A 593 9.690 -5.183 -6.466 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.450 -4.596 -5.055 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.413 -4.168 -7.362 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.739 -4.356 -4.261 1.00 0.00 C ATOM 0 H ILE A 593 8.424 -7.186 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 593 7.671 -4.733 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 593 10.321 -6.067 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 593 8.911 -3.653 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.808 -5.275 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.366 -3.896 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.591 -4.610 -8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 593 9.796 -3.276 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.492 -3.944 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.269 -5.300 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.374 -3.653 -4.801 1.00 0.00 H new ATOM 1372 N THR A 594 8.923 -6.892 -9.113 1.00 0.00 N ATOM 1373 CA THR A 594 8.962 -7.248 -10.533 1.00 0.00 C ATOM 1374 C THR A 594 7.579 -7.246 -11.204 1.00 0.00 C ATOM 1375 O THR A 594 7.464 -7.164 -12.427 1.00 0.00 O ATOM 1376 CB THR A 594 9.773 -8.552 -10.708 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.045 -8.211 -11.232 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.149 -9.640 -11.583 1.00 0.00 C ATOM 0 H THR A 594 9.356 -7.597 -8.516 1.00 0.00 H new ATOM 0 HA THR A 594 9.486 -6.465 -11.081 1.00 0.00 H new ATOM 0 HB THR A 594 9.815 -8.999 -9.715 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.579 -9.024 -11.350 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.816 -10.501 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.192 -9.943 -11.159 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.994 -9.253 -12.590 1.00 0.00 H new ATOM 1386 N LYS A 595 6.520 -7.275 -10.415 1.00 0.00 N ATOM 1387 CA LYS A 595 5.138 -7.222 -10.872 1.00 0.00 C ATOM 1388 C LYS A 595 4.667 -5.772 -10.902 1.00 0.00 C ATOM 1389 O LYS A 595 4.248 -5.297 -11.960 1.00 0.00 O ATOM 1390 CB LYS A 595 4.265 -8.140 -9.998 1.00 0.00 C ATOM 1391 CG LYS A 595 3.560 -9.186 -10.868 1.00 0.00 C ATOM 1392 CD LYS A 595 2.749 -10.150 -10.000 1.00 0.00 C ATOM 1393 CE LYS A 595 2.124 -11.254 -10.856 1.00 0.00 C ATOM 1394 NZ LYS A 595 3.015 -12.422 -10.993 1.00 0.00 N ATOM 0 H LYS A 595 6.599 -7.338 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 595 5.052 -7.598 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.883 -8.636 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.526 -7.546 -9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 595 2.902 -8.690 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 595 4.297 -9.742 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.393 -10.593 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 595 1.966 -9.603 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 595 1.181 -11.569 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 595 1.892 -10.858 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 2.552 -13.145 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 3.905 -12.129 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 3.217 -12.817 -10.052 1.00 0.00 H new ATOM 1408 N LEU A 596 4.806 -5.040 -9.789 1.00 0.00 N ATOM 1409 CA LEU A 596 4.440 -3.623 -9.719 1.00 0.00 C ATOM 1410 C LEU A 596 5.177 -2.791 -10.770 1.00 0.00 C ATOM 1411 O LEU A 596 4.634 -1.787 -11.233 1.00 0.00 O ATOM 1412 CB LEU A 596 4.736 -3.008 -8.337 1.00 0.00 C ATOM 1413 CG LEU A 596 3.779 -3.313 -7.167 1.00 0.00 C ATOM 1414 CD1 LEU A 596 2.296 -3.211 -7.520 1.00 0.00 C ATOM 1415 CD2 LEU A 596 4.035 -4.673 -6.539 1.00 0.00 C ATOM 0 H LEU A 596 5.175 -5.414 -8.915 1.00 0.00 H new ATOM 0 HA LEU A 596 3.367 -3.595 -9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 596 5.734 -3.330 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.774 -1.925 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 596 4.006 -2.526 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 596 1.696 -3.441 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.071 -2.199 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 596 2.062 -3.920 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 596 3.333 -4.834 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 596 3.902 -5.451 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 596 5.054 -4.710 -6.154 1.00 0.00 H new ATOM 1427 N ASN A 597 6.399 -3.179 -11.151 1.00 0.00 N ATOM 1428 CA ASN A 597 7.174 -2.449 -12.148 1.00 0.00 C ATOM 1429 C ASN A 597 6.371 -2.310 -13.432 1.00 0.00 C ATOM 1430 O ASN A 597 6.188 -1.189 -13.898 1.00 0.00 O ATOM 1431 CB ASN A 597 8.524 -3.111 -12.452 1.00 0.00 C ATOM 1432 CG ASN A 597 9.471 -3.121 -11.267 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.530 -2.180 -10.482 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.205 -4.204 -11.100 1.00 0.00 N ATOM 0 H ASN A 597 6.872 -4.002 -10.778 1.00 0.00 H new ATOM 0 HA ASN A 597 7.384 -1.465 -11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.352 -4.137 -12.779 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.998 -2.587 -13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.839 -4.272 -10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.138 -4.973 -11.767 1.00 0.00 H new ATOM 1441 N SER A 598 5.901 -3.422 -14.007 1.00 0.00 N ATOM 1442 CA SER A 598 5.299 -3.515 -15.327 1.00 0.00 C ATOM 1443 C SER A 598 3.974 -2.750 -15.438 1.00 0.00 C ATOM 1444 O SER A 598 3.558 -2.395 -16.539 1.00 0.00 O ATOM 1445 CB SER A 598 5.083 -5.008 -15.583 1.00 0.00 C ATOM 1446 OG SER A 598 6.048 -5.509 -16.486 1.00 0.00 O ATOM 0 H SER A 598 5.935 -4.325 -13.533 1.00 0.00 H new ATOM 0 HA SER A 598 5.954 -3.057 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.141 -5.555 -14.642 1.00 0.00 H new ATOM 0 HB3 SER A 598 4.083 -5.171 -15.985 1.00 0.00 H new ATOM 0 HG SER A 598 5.892 -6.465 -16.634 1.00 0.00 H new ATOM 1452 N LEU A 599 3.353 -2.438 -14.302 1.00 0.00 N ATOM 1453 CA LEU A 599 2.138 -1.643 -14.197 1.00 0.00 C ATOM 1454 C LEU A 599 2.499 -0.215 -14.575 1.00 0.00 C ATOM 1455 O LEU A 599 1.788 0.411 -15.354 1.00 0.00 O ATOM 1456 CB LEU A 599 1.582 -1.665 -12.760 1.00 0.00 C ATOM 1457 CG LEU A 599 1.101 -2.998 -12.169 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.618 -2.719 -10.743 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.049 -3.626 -12.952 1.00 0.00 C ATOM 0 H LEU A 599 3.700 -2.747 -13.394 1.00 0.00 H new ATOM 0 HA LEU A 599 1.372 -2.051 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.357 -1.273 -12.101 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.746 -0.966 -12.720 1.00 0.00 H new ATOM 0 HG LEU A 599 1.933 -3.701 -12.206 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.267 -3.646 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.440 -2.315 -10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.198 -1.997 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.340 -4.565 -12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.900 -2.944 -12.959 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.270 -3.818 -13.976 1.00 0.00 H new ATOM 1471 N ASN A 600 3.623 0.287 -14.044 1.00 0.00 N ATOM 1472 CA ASN A 600 4.111 1.664 -14.173 1.00 0.00 C ATOM 1473 C ASN A 600 3.188 2.684 -13.518 1.00 0.00 C ATOM 1474 O ASN A 600 3.417 3.889 -13.638 1.00 0.00 O ATOM 1475 CB ASN A 600 4.448 2.019 -15.633 1.00 0.00 C ATOM 1476 CG ASN A 600 5.614 1.191 -16.146 1.00 0.00 C ATOM 1477 OD1 ASN A 600 6.761 1.639 -16.119 1.00 0.00 O ATOM 1478 ND2 ASN A 600 5.338 -0.035 -16.561 1.00 0.00 N ATOM 0 H ASN A 600 4.249 -0.290 -13.482 1.00 0.00 H new ATOM 0 HA ASN A 600 5.046 1.715 -13.614 1.00 0.00 H new ATOM 0 HB2 ASN A 600 3.574 1.850 -16.262 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.692 3.079 -15.705 1.00 0.00 H new ATOM 0 HD21 ASN A 600 6.090 -0.649 -16.875 1.00 0.00 H new ATOM 0 HD22 ASN A 600 4.373 -0.366 -16.567 1.00 0.00 H new ATOM 1485 N GLU A 601 2.175 2.214 -12.798 1.00 0.00 N ATOM 1486 CA GLU A 601 1.163 3.040 -12.198 1.00 0.00 C ATOM 1487 C GLU A 601 1.713 3.629 -10.888 1.00 0.00 C ATOM 1488 O GLU A 601 2.550 2.995 -10.237 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.120 2.212 -11.969 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.600 1.526 -13.259 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.922 0.781 -13.102 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.994 1.414 -13.219 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -1.913 -0.463 -12.977 1.00 0.00 O ATOM 0 H GLU A 601 2.042 1.219 -12.618 1.00 0.00 H new ATOM 0 HA GLU A 601 0.901 3.866 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.067 1.457 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.908 2.862 -11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.707 2.277 -14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.165 0.825 -13.593 1.00 0.00 H new ATOM 1500 N PRO A 602 1.261 4.827 -10.492 1.00 0.00 N ATOM 1501 CA PRO A 602 1.624 5.475 -9.243 1.00 0.00 C ATOM 1502 C PRO A 602 0.981 4.748 -8.069 1.00 0.00 C ATOM 1503 O PRO A 602 -0.245 4.739 -7.911 1.00 0.00 O ATOM 1504 CB PRO A 602 1.160 6.925 -9.365 1.00 0.00 C ATOM 1505 CG PRO A 602 0.047 6.870 -10.408 1.00 0.00 C ATOM 1506 CD PRO A 602 0.389 5.668 -11.280 1.00 0.00 C ATOM 0 HA PRO A 602 2.698 5.446 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.796 7.309 -8.412 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.972 7.579 -9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.930 6.753 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.010 7.787 -10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.513 5.129 -11.569 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.881 5.983 -12.200 1.00 0.00 H new ATOM 1514 N LEU A 603 1.828 4.127 -7.255 1.00 0.00 N ATOM 1515 CA LEU A 603 1.422 3.433 -6.049 1.00 0.00 C ATOM 1516 C LEU A 603 1.369 4.406 -4.877 1.00 0.00 C ATOM 1517 O LEU A 603 1.986 5.475 -4.884 1.00 0.00 O ATOM 1518 CB LEU A 603 2.418 2.310 -5.704 1.00 0.00 C ATOM 1519 CG LEU A 603 2.748 1.345 -6.851 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.813 0.350 -6.387 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.489 0.624 -7.316 1.00 0.00 C ATOM 0 H LEU A 603 2.834 4.094 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 603 0.436 3.004 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.346 2.765 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.015 1.733 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 603 3.140 1.908 -7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.049 -0.336 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.714 0.890 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.437 -0.214 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.739 -0.057 -8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.066 0.058 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.759 1.355 -7.665 1.00 0.00 H new ATOM 1533 N VAL A 604 0.741 3.968 -3.794 1.00 0.00 N ATOM 1534 CA VAL A 604 0.909 4.525 -2.458 1.00 0.00 C ATOM 1535 C VAL A 604 0.880 3.296 -1.582 1.00 0.00 C ATOM 1536 O VAL A 604 -0.121 2.591 -1.478 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.151 5.567 -2.045 1.00 0.00 C ATOM 1538 CG1 VAL A 604 0.304 6.580 -0.990 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.885 6.104 -3.242 1.00 0.00 C ATOM 0 H VAL A 604 0.080 3.191 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 604 1.827 5.107 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 604 -0.912 5.040 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -0.513 7.267 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.591 6.053 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 604 1.158 7.141 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.625 6.836 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.177 6.581 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -1.387 5.286 -3.758 1.00 0.00 H new ATOM 1549 N THR A 605 2.045 2.976 -1.067 1.00 0.00 N ATOM 1550 CA THR A 605 2.250 1.807 -0.230 1.00 0.00 C ATOM 1551 C THR A 605 3.218 2.120 0.910 1.00 0.00 C ATOM 1552 O THR A 605 3.339 3.261 1.342 1.00 0.00 O ATOM 1553 CB THR A 605 2.564 0.583 -1.109 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.504 -0.602 -0.344 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.896 0.654 -1.866 1.00 0.00 C ATOM 0 H THR A 605 2.891 3.525 -1.217 1.00 0.00 H new ATOM 0 HA THR A 605 1.338 1.526 0.296 1.00 0.00 H new ATOM 0 HB THR A 605 1.792 0.580 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.600 -0.977 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 605 4.028 -0.253 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.893 1.521 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.715 0.745 -1.153 1.00 0.00 H new ATOM 1563 N MET A 606 3.847 1.097 1.460 1.00 0.00 N ATOM 1564 CA MET A 606 4.823 1.122 2.541 1.00 0.00 C ATOM 1565 C MET A 606 5.898 0.063 2.201 1.00 0.00 C ATOM 1566 O MET A 606 5.780 -0.585 1.156 1.00 0.00 O ATOM 1567 CB MET A 606 4.050 0.932 3.861 1.00 0.00 C ATOM 1568 CG MET A 606 3.693 -0.528 4.050 1.00 0.00 C ATOM 1569 SD MET A 606 2.644 -0.926 5.473 1.00 0.00 S ATOM 1570 CE MET A 606 1.052 -0.303 4.879 1.00 0.00 C ATOM 0 H MET A 606 3.675 0.145 1.136 1.00 0.00 H new ATOM 0 HA MET A 606 5.365 2.060 2.661 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.655 1.278 4.699 1.00 0.00 H new ATOM 0 HB3 MET A 606 3.144 1.538 3.851 1.00 0.00 H new ATOM 0 HG2 MET A 606 3.190 -0.876 3.148 1.00 0.00 H new ATOM 0 HG3 MET A 606 4.619 -1.097 4.139 1.00 0.00 H new ATOM 0 HE1 MET A 606 0.244 -0.780 5.434 1.00 0.00 H new ATOM 0 HE2 MET A 606 1.006 0.776 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.946 -0.529 3.818 1.00 0.00 H new ATOM 1580 N PRO A 607 6.960 -0.134 3.002 1.00 0.00 N ATOM 1581 CA PRO A 607 7.987 -1.116 2.700 1.00 0.00 C ATOM 1582 C PRO A 607 7.398 -2.513 2.902 1.00 0.00 C ATOM 1583 O PRO A 607 7.350 -3.006 4.024 1.00 0.00 O ATOM 1584 CB PRO A 607 9.163 -0.779 3.628 1.00 0.00 C ATOM 1585 CG PRO A 607 8.550 -0.020 4.799 1.00 0.00 C ATOM 1586 CD PRO A 607 7.256 0.563 4.241 1.00 0.00 C ATOM 0 HA PRO A 607 8.343 -1.096 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.668 -1.684 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.908 -0.172 3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.356 -0.682 5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.217 0.764 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.441 0.439 4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.364 1.633 4.062 1.00 0.00 H new ATOM 1594 N ILE A 608 6.910 -3.137 1.828 1.00 0.00 N ATOM 1595 CA ILE A 608 6.192 -4.410 1.857 1.00 0.00 C ATOM 1596 C ILE A 608 6.985 -5.461 2.628 1.00 0.00 C ATOM 1597 O ILE A 608 6.519 -6.001 3.634 1.00 0.00 O ATOM 1598 CB ILE A 608 5.890 -4.873 0.417 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.999 -3.886 -0.355 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.337 -6.311 0.364 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.652 -3.539 0.291 1.00 0.00 C ATOM 0 H ILE A 608 7.007 -2.758 0.886 1.00 0.00 H new ATOM 0 HA ILE A 608 5.244 -4.273 2.378 1.00 0.00 H new ATOM 0 HB ILE A 608 6.851 -4.885 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 608 5.558 -2.961 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.807 -4.300 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.141 -6.588 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.068 -6.998 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.410 -6.366 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.114 -2.836 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 608 3.061 -4.447 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.823 -3.087 1.268 1.00 0.00 H new ATOM 1613 N GLY A 609 8.180 -5.774 2.136 1.00 0.00 N ATOM 1614 CA GLY A 609 9.091 -6.712 2.758 1.00 0.00 C ATOM 1615 C GLY A 609 9.825 -5.978 3.853 1.00 0.00 C ATOM 1616 O GLY A 609 10.954 -5.580 3.619 1.00 0.00 O ATOM 0 H GLY A 609 8.544 -5.370 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.545 -7.562 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.794 -7.107 2.024 1.00 0.00 H new ATOM 1620 N TYR A 610 9.176 -5.744 4.987 1.00 0.00 N ATOM 1621 CA TYR A 610 9.706 -5.087 6.174 1.00 0.00 C ATOM 1622 C TYR A 610 9.715 -6.043 7.360 1.00 0.00 C ATOM 1623 O TYR A 610 10.746 -6.176 8.004 1.00 0.00 O ATOM 1624 CB TYR A 610 8.920 -3.801 6.458 1.00 0.00 C ATOM 1625 CG TYR A 610 9.180 -3.200 7.819 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.496 -2.900 8.203 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.122 -3.024 8.726 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.771 -2.523 9.528 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.388 -2.659 10.054 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.720 -2.447 10.472 1.00 0.00 C ATOM 1631 OH TYR A 610 9.996 -2.237 11.789 1.00 0.00 O ATOM 0 H TYR A 610 8.203 -6.026 5.109 1.00 0.00 H new ATOM 0 HA TYR A 610 10.743 -4.801 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.166 -3.063 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.855 -4.012 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.297 -2.959 7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.103 -3.170 8.401 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.783 -2.292 9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.575 -2.540 10.756 1.00 0.00 H new ATOM 0 HH TYR A 610 9.159 -2.211 12.298 1.00 0.00 H new ATOM 1641 N VAL A 611 8.612 -6.746 7.606 1.00 0.00 N ATOM 1642 CA VAL A 611 8.489 -7.755 8.664 1.00 0.00 C ATOM 1643 C VAL A 611 7.915 -9.065 8.129 1.00 0.00 C ATOM 1644 O VAL A 611 8.250 -10.155 8.574 1.00 0.00 O ATOM 1645 CB VAL A 611 7.629 -7.259 9.828 1.00 0.00 C ATOM 1646 CG1 VAL A 611 8.455 -6.483 10.861 1.00 0.00 C ATOM 1647 CG2 VAL A 611 6.472 -6.387 9.361 1.00 0.00 C ATOM 0 H VAL A 611 7.756 -6.630 7.064 1.00 0.00 H new ATOM 0 HA VAL A 611 9.499 -7.937 9.031 1.00 0.00 H new ATOM 0 HB VAL A 611 7.224 -8.156 10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 611 7.805 -6.149 11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 611 9.234 -7.130 11.265 1.00 0.00 H new ATOM 0 HG13 VAL A 611 8.914 -5.617 10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 611 5.892 -6.060 10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 611 6.862 -5.516 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 611 5.833 -6.960 8.690 1.00 0.00 H new ATOM 1657 N THR A 612 7.072 -8.942 7.120 1.00 0.00 N ATOM 1658 CA THR A 612 6.329 -9.950 6.380 1.00 0.00 C ATOM 1659 C THR A 612 7.239 -11.124 6.015 1.00 0.00 C ATOM 1660 O THR A 612 7.052 -12.260 6.451 1.00 0.00 O ATOM 1661 CB THR A 612 5.728 -9.216 5.158 1.00 0.00 C ATOM 1662 OG1 THR A 612 6.742 -8.696 4.317 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.978 -7.959 5.596 1.00 0.00 C ATOM 0 H THR A 612 6.865 -8.013 6.752 1.00 0.00 H new ATOM 0 HA THR A 612 5.525 -10.399 6.963 1.00 0.00 H new ATOM 0 HB THR A 612 5.096 -9.952 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 612 6.566 -7.748 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.564 -7.459 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 612 4.169 -8.235 6.273 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.665 -7.285 6.108 1.00 0.00 H new ATOM 1671 N HIS A 613 8.302 -10.798 5.287 1.00 0.00 N ATOM 1672 CA HIS A 613 9.316 -11.721 4.799 1.00 0.00 C ATOM 1673 C HIS A 613 10.437 -11.908 5.829 1.00 0.00 C ATOM 1674 O HIS A 613 11.516 -12.402 5.496 1.00 0.00 O ATOM 1675 CB HIS A 613 9.794 -11.271 3.400 1.00 0.00 C ATOM 1676 CG HIS A 613 9.669 -12.394 2.399 1.00 0.00 C ATOM 1677 ND1 HIS A 613 10.069 -13.709 2.592 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.961 -12.334 1.230 1.00 0.00 C ATOM 1679 CE1 HIS A 613 9.548 -14.438 1.587 1.00 0.00 C ATOM 1680 NE2 HIS A 613 8.860 -13.625 0.765 1.00 0.00 N ATOM 0 H HIS A 613 8.487 -9.834 5.008 1.00 0.00 H new ATOM 0 HA HIS A 613 8.890 -12.717 4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 613 9.205 -10.416 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.832 -10.942 3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.560 -11.447 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 613 9.664 -15.504 1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 613 8.347 -13.918 -0.067 1.00 0.00 H new ATOM 1689 N GLY A 614 10.207 -11.474 7.068 1.00 0.00 N ATOM 1690 CA GLY A 614 11.181 -11.406 8.135 1.00 0.00 C ATOM 1691 C GLY A 614 12.311 -10.462 7.775 1.00 0.00 C ATOM 1692 O GLY A 614 13.463 -10.855 7.937 1.00 0.00 O ATOM 0 H GLY A 614 9.287 -11.146 7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.699 -11.069 9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 614 11.581 -12.401 8.332 1.00 0.00 H new ATOM 1696 N PHE A 615 12.020 -9.274 7.225 1.00 0.00 N ATOM 1697 CA PHE A 615 13.114 -8.342 6.911 1.00 0.00 C ATOM 1698 C PHE A 615 13.404 -7.432 8.119 1.00 0.00 C ATOM 1699 O PHE A 615 12.928 -7.677 9.228 1.00 0.00 O ATOM 1700 CB PHE A 615 12.822 -7.604 5.588 1.00 0.00 C ATOM 1701 CG PHE A 615 13.050 -8.389 4.298 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.234 -9.787 4.269 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.122 -7.681 3.085 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.438 -10.458 3.051 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.319 -8.347 1.868 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.461 -9.743 1.844 1.00 0.00 C ATOM 0 H PHE A 615 11.082 -8.945 6.997 1.00 0.00 H new ATOM 0 HA PHE A 615 14.043 -8.885 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.784 -7.273 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.442 -6.708 5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.218 -10.348 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 615 13.024 -6.605 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.578 -11.529 3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.362 -7.785 0.947 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.587 -10.262 0.905 1.00 0.00 H new ATOM 1716 N ASN A 616 14.208 -6.391 7.901 1.00 0.00 N ATOM 1717 CA ASN A 616 14.370 -5.223 8.761 1.00 0.00 C ATOM 1718 C ASN A 616 14.215 -4.002 7.854 1.00 0.00 C ATOM 1719 O ASN A 616 14.236 -4.159 6.632 1.00 0.00 O ATOM 1720 CB ASN A 616 15.765 -5.171 9.385 1.00 0.00 C ATOM 1721 CG ASN A 616 16.168 -6.418 10.161 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.787 -6.605 11.313 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.946 -7.295 9.555 1.00 0.00 N ATOM 0 H ASN A 616 14.797 -6.340 7.070 1.00 0.00 H new ATOM 0 HA ASN A 616 13.639 -5.257 9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.495 -5.002 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 616 15.816 -4.312 10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 616 17.238 -8.141 10.044 1.00 0.00 H new ATOM 0 HD22 ASN A 616 17.255 -7.127 8.598 1.00 0.00 H new ATOM 1730 N LEU A 617 14.131 -2.781 8.396 1.00 0.00 N ATOM 1731 CA LEU A 617 13.883 -1.580 7.585 1.00 0.00 C ATOM 1732 C LEU A 617 14.981 -1.341 6.552 1.00 0.00 C ATOM 1733 O LEU A 617 14.672 -0.916 5.440 1.00 0.00 O ATOM 1734 CB LEU A 617 13.723 -0.330 8.462 1.00 0.00 C ATOM 1735 CG LEU A 617 13.121 0.879 7.713 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.690 0.641 7.216 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.148 2.108 8.628 1.00 0.00 C ATOM 0 H LEU A 617 14.231 -2.597 9.394 1.00 0.00 H new ATOM 0 HA LEU A 617 12.949 -1.763 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.087 -0.573 9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.698 -0.050 8.862 1.00 0.00 H new ATOM 0 HG LEU A 617 13.736 1.038 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.331 1.531 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.679 -0.206 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.041 0.428 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 617 12.724 2.963 8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 617 12.562 1.907 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.177 2.330 8.909 1.00 0.00 H new ATOM 1749 N GLU A 618 16.237 -1.629 6.896 1.00 0.00 N ATOM 1750 CA GLU A 618 17.359 -1.417 5.983 1.00 0.00 C ATOM 1751 C GLU A 618 17.188 -2.299 4.746 1.00 0.00 C ATOM 1752 O GLU A 618 17.270 -1.846 3.606 1.00 0.00 O ATOM 1753 CB GLU A 618 18.679 -1.711 6.711 1.00 0.00 C ATOM 1754 CG GLU A 618 19.894 -1.370 5.828 1.00 0.00 C ATOM 1755 CD GLU A 618 21.030 -0.594 6.517 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.125 -0.545 7.764 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.849 -0.003 5.776 1.00 0.00 O ATOM 0 H GLU A 618 16.502 -2.011 7.804 1.00 0.00 H new ATOM 0 HA GLU A 618 17.382 -0.378 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.724 -1.133 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.715 -2.764 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 618 20.303 -2.300 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 618 19.547 -0.786 4.976 1.00 0.00 H new ATOM 1764 N GLU A 619 16.899 -3.571 4.989 1.00 0.00 N ATOM 1765 CA GLU A 619 16.733 -4.599 3.975 1.00 0.00 C ATOM 1766 C GLU A 619 15.484 -4.346 3.144 1.00 0.00 C ATOM 1767 O GLU A 619 15.447 -4.604 1.939 1.00 0.00 O ATOM 1768 CB GLU A 619 16.602 -5.946 4.675 1.00 0.00 C ATOM 1769 CG GLU A 619 17.746 -6.145 5.683 1.00 0.00 C ATOM 1770 CD GLU A 619 18.065 -7.622 5.798 1.00 0.00 C ATOM 1771 OE1 GLU A 619 18.566 -8.196 4.806 1.00 0.00 O ATOM 1772 OE2 GLU A 619 17.695 -8.220 6.834 1.00 0.00 O ATOM 0 H GLU A 619 16.769 -3.927 5.936 1.00 0.00 H new ATOM 0 HA GLU A 619 17.596 -4.588 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.643 -6.003 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.616 -6.748 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.630 -5.595 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.461 -5.746 6.657 1.00 0.00 H new ATOM 1779 N ALA A 620 14.450 -3.840 3.808 1.00 0.00 N ATOM 1780 CA ALA A 620 13.186 -3.481 3.228 1.00 0.00 C ATOM 1781 C ALA A 620 13.372 -2.347 2.232 1.00 0.00 C ATOM 1782 O ALA A 620 12.922 -2.473 1.093 1.00 0.00 O ATOM 1783 CB ALA A 620 12.233 -3.099 4.366 1.00 0.00 C ATOM 0 H ALA A 620 14.485 -3.666 4.812 1.00 0.00 H new ATOM 0 HA ALA A 620 12.758 -4.318 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.264 -2.822 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 620 12.110 -3.948 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.646 -2.255 4.919 1.00 0.00 H new ATOM 1789 N ALA A 621 14.045 -1.275 2.652 1.00 0.00 N ATOM 1790 CA ALA A 621 14.415 -0.145 1.819 1.00 0.00 C ATOM 1791 C ALA A 621 15.311 -0.605 0.668 1.00 0.00 C ATOM 1792 O ALA A 621 15.044 -0.261 -0.480 1.00 0.00 O ATOM 1793 CB ALA A 621 15.127 0.884 2.696 1.00 0.00 C ATOM 0 H ALA A 621 14.356 -1.172 3.618 1.00 0.00 H new ATOM 0 HA ALA A 621 13.527 0.307 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.414 1.743 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.457 1.210 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.018 0.435 3.134 1.00 0.00 H new ATOM 1799 N ARG A 622 16.330 -1.431 0.944 1.00 0.00 N ATOM 1800 CA ARG A 622 17.218 -2.001 -0.073 1.00 0.00 C ATOM 1801 C ARG A 622 16.424 -2.661 -1.190 1.00 0.00 C ATOM 1802 O ARG A 622 16.679 -2.393 -2.364 1.00 0.00 O ATOM 1803 CB ARG A 622 18.169 -3.010 0.564 1.00 0.00 C ATOM 1804 CG ARG A 622 19.448 -2.334 1.050 1.00 0.00 C ATOM 1805 CD ARG A 622 20.226 -3.376 1.845 1.00 0.00 C ATOM 1806 NE ARG A 622 21.679 -3.168 1.800 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.506 -3.528 0.812 1.00 0.00 C ATOM 1808 NH1 ARG A 622 22.023 -3.933 -0.362 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.816 -3.499 1.008 1.00 0.00 N ATOM 0 H ARG A 622 16.562 -1.724 1.893 1.00 0.00 H new ATOM 0 HA ARG A 622 17.799 -1.188 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.674 -3.502 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.417 -3.786 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.037 -1.972 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 622 19.215 -1.469 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.894 -3.355 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.995 -4.368 1.457 1.00 0.00 H new ATOM 0 HE ARG A 622 22.100 -2.702 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 622 21.015 -3.970 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.661 -4.206 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 622 24.190 -3.203 1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.450 -3.773 0.257 1.00 0.00 H new ATOM 1823 N CYS A 623 15.464 -3.508 -0.817 1.00 0.00 N ATOM 1824 CA CYS A 623 14.544 -4.130 -1.756 1.00 0.00 C ATOM 1825 C CYS A 623 13.763 -3.060 -2.522 1.00 0.00 C ATOM 1826 O CYS A 623 13.671 -3.115 -3.743 1.00 0.00 O ATOM 1827 CB CYS A 623 13.592 -5.087 -1.014 1.00 0.00 C ATOM 1828 SG CYS A 623 13.779 -6.761 -1.683 1.00 0.00 S ATOM 0 H CYS A 623 15.306 -3.780 0.153 1.00 0.00 H new ATOM 0 HA CYS A 623 15.115 -4.713 -2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.814 -5.083 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.561 -4.752 -1.127 1.00 0.00 H new ATOM 0 HG CYS A 623 12.710 -7.085 -2.348 1.00 0.00 H new ATOM 1834 N MET A 624 13.193 -2.082 -1.821 1.00 0.00 N ATOM 1835 CA MET A 624 12.366 -1.038 -2.417 1.00 0.00 C ATOM 1836 C MET A 624 13.131 -0.169 -3.418 1.00 0.00 C ATOM 1837 O MET A 624 12.534 0.264 -4.398 1.00 0.00 O ATOM 1838 CB MET A 624 11.767 -0.174 -1.311 1.00 0.00 C ATOM 1839 CG MET A 624 10.700 -0.927 -0.507 1.00 0.00 C ATOM 1840 SD MET A 624 9.025 -0.832 -1.182 1.00 0.00 S ATOM 1841 CE MET A 624 8.696 0.885 -0.739 1.00 0.00 C ATOM 0 H MET A 624 13.295 -1.992 -0.810 1.00 0.00 H new ATOM 0 HA MET A 624 11.573 -1.530 -2.981 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.560 0.157 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.326 0.721 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.990 -1.976 -0.440 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.689 -0.534 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.627 1.083 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.021 1.065 0.286 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.240 1.546 -1.414 1.00 0.00 H new ATOM 1851 N ARG A 625 14.441 0.049 -3.261 1.00 0.00 N ATOM 1852 CA ARG A 625 15.249 0.700 -4.303 1.00 0.00 C ATOM 1853 C ARG A 625 15.202 -0.046 -5.639 1.00 0.00 C ATOM 1854 O ARG A 625 15.433 0.586 -6.676 1.00 0.00 O ATOM 1855 CB ARG A 625 16.708 0.900 -3.865 1.00 0.00 C ATOM 1856 CG ARG A 625 16.788 1.845 -2.666 1.00 0.00 C ATOM 1857 CD ARG A 625 18.208 2.326 -2.354 1.00 0.00 C ATOM 1858 NE ARG A 625 18.833 3.232 -3.341 1.00 0.00 N ATOM 1859 CZ ARG A 625 18.379 4.305 -4.007 1.00 0.00 C ATOM 1860 NH1 ARG A 625 17.139 4.774 -3.883 1.00 0.00 N ATOM 1861 NH2 ARG A 625 19.217 4.927 -4.819 1.00 0.00 N ATOM 0 H ARG A 625 14.965 -0.214 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 625 14.796 1.680 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.150 -0.062 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.289 1.305 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.154 2.711 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.384 1.339 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.191 2.833 -1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.847 1.450 -2.243 1.00 0.00 H new ATOM 0 HE ARG A 625 19.801 2.995 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 625 16.480 4.313 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 625 16.849 5.594 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 625 20.173 4.588 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 625 18.907 5.746 -5.342 1.00 0.00 H new ATOM 1875 N SER A 626 14.911 -1.347 -5.656 1.00 0.00 N ATOM 1876 CA SER A 626 14.716 -2.119 -6.876 1.00 0.00 C ATOM 1877 C SER A 626 13.342 -1.875 -7.521 1.00 0.00 C ATOM 1878 O SER A 626 13.112 -2.374 -8.619 1.00 0.00 O ATOM 1879 CB SER A 626 14.939 -3.608 -6.575 1.00 0.00 C ATOM 1880 OG SER A 626 16.166 -3.805 -5.879 1.00 0.00 O ATOM 0 H SER A 626 14.803 -1.900 -4.806 1.00 0.00 H new ATOM 0 HA SER A 626 15.450 -1.783 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 626 14.111 -3.991 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.949 -4.174 -7.506 1.00 0.00 H new ATOM 0 HG SER A 626 16.288 -4.760 -5.695 1.00 0.00 H new ATOM 1886 N LEU A 627 12.426 -1.122 -6.895 1.00 0.00 N ATOM 1887 CA LEU A 627 11.146 -0.745 -7.491 1.00 0.00 C ATOM 1888 C LEU A 627 11.360 0.371 -8.501 1.00 0.00 C ATOM 1889 O LEU A 627 12.076 1.340 -8.234 1.00 0.00 O ATOM 1890 CB LEU A 627 10.162 -0.303 -6.395 1.00 0.00 C ATOM 1891 CG LEU A 627 8.772 0.108 -6.912 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.953 -1.071 -7.453 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.989 0.758 -5.772 1.00 0.00 C ATOM 0 H LEU A 627 12.559 -0.757 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 627 10.721 -1.607 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.044 -1.118 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.596 0.536 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 627 8.934 0.800 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.985 -0.712 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.487 -1.535 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.805 -1.805 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.002 1.052 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.881 0.047 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.525 1.639 -5.419 1.00 0.00 H new ATOM 1905 N LYS A 628 10.717 0.241 -9.660 1.00 0.00 N ATOM 1906 CA LYS A 628 10.912 1.089 -10.830 1.00 0.00 C ATOM 1907 C LYS A 628 9.598 1.743 -11.281 1.00 0.00 C ATOM 1908 O LYS A 628 9.621 2.576 -12.185 1.00 0.00 O ATOM 1909 CB LYS A 628 11.542 0.251 -11.965 1.00 0.00 C ATOM 1910 CG LYS A 628 12.729 -0.664 -11.587 1.00 0.00 C ATOM 1911 CD LYS A 628 14.139 -0.048 -11.569 1.00 0.00 C ATOM 1912 CE LYS A 628 14.356 1.052 -10.521 1.00 0.00 C ATOM 1913 NZ LYS A 628 14.116 2.422 -11.030 1.00 0.00 N ATOM 0 H LYS A 628 10.019 -0.487 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 628 11.589 1.902 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.760 -0.371 -12.400 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.877 0.935 -12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.532 -1.075 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.740 -1.502 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.864 -0.843 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 628 14.351 0.365 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.695 0.869 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 628 15.378 0.988 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 13.847 3.043 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 14.983 2.784 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 13.349 2.402 -11.732 1.00 0.00 H new ATOM 1927 N ALA A 629 8.459 1.407 -10.666 1.00 0.00 N ATOM 1928 CA ALA A 629 7.217 2.169 -10.799 1.00 0.00 C ATOM 1929 C ALA A 629 7.188 3.280 -9.734 1.00 0.00 C ATOM 1930 O ALA A 629 7.867 3.139 -8.710 1.00 0.00 O ATOM 1931 CB ALA A 629 6.023 1.224 -10.629 1.00 0.00 C ATOM 0 H ALA A 629 8.375 0.592 -10.058 1.00 0.00 H new ATOM 0 HA ALA A 629 7.161 2.628 -11.786 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.096 1.788 -10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.060 0.450 -11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.063 0.761 -9.643 1.00 0.00 H new ATOM 1937 N PRO A 630 6.422 4.370 -9.928 1.00 0.00 N ATOM 1938 CA PRO A 630 6.235 5.392 -8.902 1.00 0.00 C ATOM 1939 C PRO A 630 5.503 4.827 -7.687 1.00 0.00 C ATOM 1940 O PRO A 630 4.642 3.961 -7.815 1.00 0.00 O ATOM 1941 CB PRO A 630 5.448 6.533 -9.557 1.00 0.00 C ATOM 1942 CG PRO A 630 4.952 5.998 -10.903 1.00 0.00 C ATOM 1943 CD PRO A 630 5.717 4.704 -11.155 1.00 0.00 C ATOM 0 HA PRO A 630 7.194 5.753 -8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.612 6.839 -8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.079 7.410 -9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 630 3.878 5.816 -10.877 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.134 6.719 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.034 3.902 -11.435 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.419 4.827 -11.980 1.00 0.00 H new ATOM 1951 N ALA A 631 5.810 5.347 -6.499 1.00 0.00 N ATOM 1952 CA ALA A 631 5.265 4.931 -5.231 1.00 0.00 C ATOM 1953 C ALA A 631 5.482 6.064 -4.241 1.00 0.00 C ATOM 1954 O ALA A 631 6.623 6.504 -4.045 1.00 0.00 O ATOM 1955 CB ALA A 631 5.994 3.673 -4.753 1.00 0.00 C ATOM 0 H ALA A 631 6.482 6.109 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 631 4.202 4.705 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.583 3.357 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 631 5.862 2.876 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.056 3.889 -4.639 1.00 0.00 H new ATOM 1961 N VAL A 632 4.413 6.519 -3.596 1.00 0.00 N ATOM 1962 CA VAL A 632 4.556 7.067 -2.251 1.00 0.00 C ATOM 1963 C VAL A 632 4.790 5.857 -1.333 1.00 0.00 C ATOM 1964 O VAL A 632 4.291 4.759 -1.615 1.00 0.00 O ATOM 1965 CB VAL A 632 3.284 7.845 -1.885 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.207 8.295 -0.416 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.061 9.098 -2.736 1.00 0.00 C ATOM 0 H VAL A 632 3.464 6.521 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 632 5.385 7.769 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 632 2.509 7.105 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.276 8.836 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.240 7.421 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 632 4.051 8.947 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.144 9.594 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.904 9.778 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 632 2.977 8.815 -3.785 1.00 0.00 H new ATOM 1977 N VAL A 633 5.532 6.042 -0.244 1.00 0.00 N ATOM 1978 CA VAL A 633 5.855 4.992 0.719 1.00 0.00 C ATOM 1979 C VAL A 633 5.500 5.504 2.116 1.00 0.00 C ATOM 1980 O VAL A 633 5.567 6.709 2.337 1.00 0.00 O ATOM 1981 CB VAL A 633 7.327 4.579 0.556 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.672 3.375 1.435 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.600 4.142 -0.889 1.00 0.00 C ATOM 0 H VAL A 633 5.935 6.947 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 633 5.273 4.086 0.548 1.00 0.00 H new ATOM 0 HB VAL A 633 7.925 5.446 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.720 3.110 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.498 3.627 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.044 2.529 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.646 3.852 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 633 6.963 3.294 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.386 4.969 -1.566 1.00 0.00 H new ATOM 1993 N SER A 634 5.153 4.634 3.066 1.00 0.00 N ATOM 1994 CA SER A 634 4.752 5.054 4.403 1.00 0.00 C ATOM 1995 C SER A 634 5.591 4.316 5.439 1.00 0.00 C ATOM 1996 O SER A 634 6.013 3.192 5.203 1.00 0.00 O ATOM 1997 CB SER A 634 3.249 4.791 4.531 1.00 0.00 C ATOM 1998 OG SER A 634 2.675 5.148 5.779 1.00 0.00 O ATOM 0 H SER A 634 5.143 3.623 2.928 1.00 0.00 H new ATOM 0 HA SER A 634 4.927 6.116 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.733 5.338 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 634 3.066 3.731 4.356 1.00 0.00 H new ATOM 0 HG SER A 634 1.716 4.947 5.768 1.00 0.00 H new ATOM 2004 N VAL A 635 5.762 4.908 6.616 1.00 0.00 N ATOM 2005 CA VAL A 635 6.388 4.292 7.784 1.00 0.00 C ATOM 2006 C VAL A 635 5.550 4.623 9.023 1.00 0.00 C ATOM 2007 O VAL A 635 4.624 5.434 8.950 1.00 0.00 O ATOM 2008 CB VAL A 635 7.828 4.807 7.964 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.825 4.310 6.914 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.851 6.335 7.951 1.00 0.00 C ATOM 0 H VAL A 635 5.458 5.866 6.791 1.00 0.00 H new ATOM 0 HA VAL A 635 6.433 3.212 7.644 1.00 0.00 H new ATOM 0 HB VAL A 635 8.146 4.403 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.811 4.725 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.875 3.222 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.500 4.629 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.875 6.685 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.461 6.697 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.233 6.715 8.765 1.00 0.00 H new ATOM 2020 N SER A 636 5.891 4.027 10.163 1.00 0.00 N ATOM 2021 CA SER A 636 5.235 4.250 11.437 1.00 0.00 C ATOM 2022 C SER A 636 5.640 5.559 12.127 1.00 0.00 C ATOM 2023 O SER A 636 4.919 5.984 13.034 1.00 0.00 O ATOM 2024 CB SER A 636 5.540 3.044 12.330 1.00 0.00 C ATOM 2025 OG SER A 636 6.936 2.804 12.424 1.00 0.00 O ATOM 0 H SER A 636 6.656 3.355 10.221 1.00 0.00 H new ATOM 0 HA SER A 636 4.165 4.353 11.257 1.00 0.00 H new ATOM 0 HB2 SER A 636 5.132 3.215 13.326 1.00 0.00 H new ATOM 0 HB3 SER A 636 5.044 2.160 11.930 1.00 0.00 H new ATOM 0 HG SER A 636 7.208 2.178 11.721 1.00 0.00 H new ATOM 2031 N SER A 637 6.745 6.218 11.750 1.00 0.00 N ATOM 2032 CA SER A 637 7.216 7.404 12.476 1.00 0.00 C ATOM 2033 C SER A 637 7.965 8.390 11.577 1.00 0.00 C ATOM 2034 O SER A 637 8.572 7.981 10.588 1.00 0.00 O ATOM 2035 CB SER A 637 8.132 6.968 13.633 1.00 0.00 C ATOM 2036 OG SER A 637 7.367 6.657 14.779 1.00 0.00 O ATOM 0 H SER A 637 7.324 5.952 10.954 1.00 0.00 H new ATOM 0 HA SER A 637 6.334 7.920 12.857 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.718 6.099 13.333 1.00 0.00 H new ATOM 0 HB3 SER A 637 8.839 7.765 13.865 1.00 0.00 H new ATOM 0 HG SER A 637 6.451 6.435 14.510 1.00 0.00 H new ATOM 2042 N PRO A 638 8.028 9.679 11.955 1.00 0.00 N ATOM 2043 CA PRO A 638 8.779 10.690 11.218 1.00 0.00 C ATOM 2044 C PRO A 638 10.287 10.405 11.277 1.00 0.00 C ATOM 2045 O PRO A 638 10.983 10.561 10.276 1.00 0.00 O ATOM 2046 CB PRO A 638 8.415 12.027 11.866 1.00 0.00 C ATOM 2047 CG PRO A 638 7.977 11.645 13.275 1.00 0.00 C ATOM 2048 CD PRO A 638 7.367 10.264 13.111 1.00 0.00 C ATOM 0 HA PRO A 638 8.528 10.695 10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 638 9.266 12.707 11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 638 7.616 12.530 11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.821 11.629 13.964 1.00 0.00 H new ATOM 0 HG3 PRO A 638 7.253 12.356 13.674 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.526 9.657 14.002 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.290 10.327 12.956 1.00 0.00 H new ATOM 2056 N ASP A 639 10.781 9.888 12.406 1.00 0.00 N ATOM 2057 CA ASP A 639 12.146 9.376 12.560 1.00 0.00 C ATOM 2058 C ASP A 639 12.433 8.264 11.551 1.00 0.00 C ATOM 2059 O ASP A 639 13.543 8.112 11.038 1.00 0.00 O ATOM 2060 CB ASP A 639 12.315 8.794 13.967 1.00 0.00 C ATOM 2061 CG ASP A 639 12.635 9.862 14.998 1.00 0.00 C ATOM 2062 OD1 ASP A 639 11.687 10.475 15.544 1.00 0.00 O ATOM 2063 OD2 ASP A 639 13.836 10.101 15.249 1.00 0.00 O ATOM 0 H ASP A 639 10.228 9.812 13.260 1.00 0.00 H new ATOM 0 HA ASP A 639 12.836 10.203 12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.400 8.276 14.256 1.00 0.00 H new ATOM 0 HB3 ASP A 639 13.113 8.051 13.957 1.00 0.00 H new ATOM 2068 N ALA A 640 11.414 7.468 11.244 1.00 0.00 N ATOM 2069 CA ALA A 640 11.522 6.340 10.342 1.00 0.00 C ATOM 2070 C ALA A 640 11.505 6.818 8.895 1.00 0.00 C ATOM 2071 O ALA A 640 12.113 6.159 8.058 1.00 0.00 O ATOM 2072 CB ALA A 640 10.433 5.303 10.618 1.00 0.00 C ATOM 0 H ALA A 640 10.476 7.596 11.625 1.00 0.00 H new ATOM 0 HA ALA A 640 12.477 5.844 10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.541 4.469 9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.528 4.939 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.453 5.761 10.485 1.00 0.00 H new ATOM 2078 N VAL A 641 10.892 7.968 8.588 1.00 0.00 N ATOM 2079 CA VAL A 641 10.973 8.575 7.263 1.00 0.00 C ATOM 2080 C VAL A 641 12.438 8.920 7.013 1.00 0.00 C ATOM 2081 O VAL A 641 12.954 8.620 5.939 1.00 0.00 O ATOM 2082 CB VAL A 641 10.078 9.831 7.158 1.00 0.00 C ATOM 2083 CG1 VAL A 641 10.232 10.538 5.807 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.588 9.526 7.343 1.00 0.00 C ATOM 0 H VAL A 641 10.329 8.499 9.252 1.00 0.00 H new ATOM 0 HA VAL A 641 10.609 7.879 6.507 1.00 0.00 H new ATOM 0 HB VAL A 641 10.421 10.475 7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.584 11.414 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 641 11.268 10.848 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.953 9.855 5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 641 8.014 10.449 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.262 8.824 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.426 9.087 8.328 1.00 0.00 H new ATOM 2094 N THR A 642 13.109 9.512 8.000 1.00 0.00 N ATOM 2095 CA THR A 642 14.491 9.934 7.942 1.00 0.00 C ATOM 2096 C THR A 642 15.384 8.706 7.854 1.00 0.00 C ATOM 2097 O THR A 642 16.311 8.689 7.041 1.00 0.00 O ATOM 2098 CB THR A 642 14.741 10.772 9.208 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.942 11.938 9.147 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.206 11.175 9.408 1.00 0.00 C ATOM 0 H THR A 642 12.675 9.716 8.900 1.00 0.00 H new ATOM 0 HA THR A 642 14.716 10.539 7.064 1.00 0.00 H new ATOM 0 HB THR A 642 14.476 10.144 10.059 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.092 12.480 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.300 11.763 10.321 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.822 10.279 9.488 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.539 11.770 8.557 1.00 0.00 H new ATOM 2108 N THR A 643 15.079 7.676 8.649 1.00 0.00 N ATOM 2109 CA THR A 643 15.823 6.434 8.653 1.00 0.00 C ATOM 2110 C THR A 643 15.780 5.802 7.256 1.00 0.00 C ATOM 2111 O THR A 643 16.813 5.512 6.653 1.00 0.00 O ATOM 2112 CB THR A 643 15.252 5.475 9.715 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.203 6.048 11.009 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.111 4.221 9.842 1.00 0.00 C ATOM 0 H THR A 643 14.301 7.691 9.309 1.00 0.00 H new ATOM 0 HA THR A 643 16.863 6.635 8.909 1.00 0.00 H new ATOM 0 HB THR A 643 14.244 5.245 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.456 6.680 11.059 1.00 0.00 H new ATOM 0 HG21 THR A 643 15.684 3.563 10.599 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.141 3.702 8.884 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.123 4.501 10.134 1.00 0.00 H new ATOM 2122 N TYR A 644 14.565 5.603 6.743 1.00 0.00 N ATOM 2123 CA TYR A 644 14.283 4.942 5.489 1.00 0.00 C ATOM 2124 C TYR A 644 14.910 5.713 4.323 1.00 0.00 C ATOM 2125 O TYR A 644 15.642 5.137 3.516 1.00 0.00 O ATOM 2126 CB TYR A 644 12.762 4.796 5.377 1.00 0.00 C ATOM 2127 CG TYR A 644 12.333 4.103 4.119 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.087 4.850 2.959 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.186 2.709 4.114 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.728 4.199 1.771 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.849 2.046 2.923 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.636 2.792 1.741 1.00 0.00 C ATOM 2133 OH TYR A 644 11.318 2.157 0.587 1.00 0.00 O ATOM 0 H TYR A 644 13.719 5.916 7.220 1.00 0.00 H new ATOM 0 HA TYR A 644 14.729 3.948 5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.391 4.239 6.237 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.303 5.784 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.174 5.926 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.332 2.146 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.522 4.774 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.753 0.970 2.910 1.00 0.00 H new ATOM 0 HH TYR A 644 12.064 2.232 -0.044 1.00 0.00 H new ATOM 2143 N ASN A 645 14.681 7.031 4.271 1.00 0.00 N ATOM 2144 CA ASN A 645 15.320 7.929 3.305 1.00 0.00 C ATOM 2145 C ASN A 645 16.845 7.818 3.397 1.00 0.00 C ATOM 2146 O ASN A 645 17.531 7.876 2.381 1.00 0.00 O ATOM 2147 CB ASN A 645 14.886 9.390 3.531 1.00 0.00 C ATOM 2148 CG ASN A 645 13.645 9.787 2.743 1.00 0.00 C ATOM 2149 OD1 ASN A 645 13.706 10.038 1.540 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.474 9.841 3.348 1.00 0.00 N ATOM 0 H ASN A 645 14.040 7.507 4.906 1.00 0.00 H new ATOM 0 HA ASN A 645 15.000 7.626 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.696 9.543 4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.708 10.051 3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.638 10.088 2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.405 9.636 4.345 1.00 0.00 H new ATOM 2157 N GLY A 646 17.375 7.613 4.604 1.00 0.00 N ATOM 2158 CA GLY A 646 18.779 7.382 4.887 1.00 0.00 C ATOM 2159 C GLY A 646 19.356 6.245 4.053 1.00 0.00 C ATOM 2160 O GLY A 646 20.406 6.420 3.432 1.00 0.00 O ATOM 0 H GLY A 646 16.802 7.605 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.342 8.295 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.901 7.152 5.945 1.00 0.00 H new ATOM 2164 N TYR A 647 18.684 5.094 3.992 1.00 0.00 N ATOM 2165 CA TYR A 647 19.132 3.988 3.150 1.00 0.00 C ATOM 2166 C TYR A 647 18.960 4.344 1.678 1.00 0.00 C ATOM 2167 O TYR A 647 19.822 3.999 0.864 1.00 0.00 O ATOM 2168 CB TYR A 647 18.370 2.703 3.474 1.00 0.00 C ATOM 2169 CG TYR A 647 18.182 2.404 4.946 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.288 2.227 5.797 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.881 2.295 5.458 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.089 1.924 7.158 1.00 0.00 C ATOM 2173 CE2 TYR A 647 16.678 1.992 6.810 1.00 0.00 C ATOM 2174 CZ TYR A 647 17.778 1.782 7.662 1.00 0.00 C ATOM 2175 OH TYR A 647 17.542 1.436 8.954 1.00 0.00 O ATOM 0 H TYR A 647 17.829 4.905 4.515 1.00 0.00 H new ATOM 0 HA TYR A 647 20.189 3.815 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.388 2.757 3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.896 1.865 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.290 2.324 5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.032 2.445 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 647 19.938 1.801 7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 647 15.674 1.919 7.200 1.00 0.00 H new ATOM 0 HH TYR A 647 16.575 1.390 9.109 1.00 0.00 H new ATOM 2185 N LEU A 648 17.905 5.087 1.326 1.00 0.00 N ATOM 2186 CA LEU A 648 17.685 5.490 -0.059 1.00 0.00 C ATOM 2187 C LEU A 648 18.775 6.435 -0.549 1.00 0.00 C ATOM 2188 O LEU A 648 18.941 6.567 -1.757 1.00 0.00 O ATOM 2189 CB LEU A 648 16.316 6.137 -0.304 1.00 0.00 C ATOM 2190 CG LEU A 648 15.062 5.320 0.058 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.995 5.553 -1.016 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.231 3.802 0.181 1.00 0.00 C ATOM 0 H LEU A 648 17.196 5.418 1.980 1.00 0.00 H new ATOM 0 HA LEU A 648 17.717 4.560 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.281 7.071 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.253 6.398 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 648 14.797 5.678 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.101 4.979 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.746 6.613 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.378 5.232 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.274 3.349 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.580 3.397 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.960 3.579 0.960 1.00 0.00 H new ATOM 2204 N THR A 649 19.497 7.102 0.347 1.00 0.00 N ATOM 2205 CA THR A 649 20.660 7.933 0.027 1.00 0.00 C ATOM 2206 C THR A 649 21.977 7.225 0.381 1.00 0.00 C ATOM 2207 O THR A 649 23.041 7.835 0.339 1.00 0.00 O ATOM 2208 CB THR A 649 20.453 9.333 0.620 1.00 0.00 C ATOM 2209 OG1 THR A 649 21.210 10.326 -0.044 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.714 9.442 2.112 1.00 0.00 C ATOM 0 H THR A 649 19.285 7.081 1.345 1.00 0.00 H new ATOM 0 HA THR A 649 20.752 8.082 -1.049 1.00 0.00 H new ATOM 0 HB THR A 649 19.389 9.508 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 649 21.041 11.198 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.541 10.468 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 649 20.041 8.773 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 649 21.747 9.164 2.322 1.00 0.00 H new