USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1016 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 636 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 637 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 624 MET CE :methyl -161:sc= -0.0792 (180deg=-0.421) USER MOD Set 2.2: A 644 TYR OH : rot 70:sc= 0 USER MOD Set 3.1: A 557 MET CE :methyl -108:sc= -2.81 (180deg=-4.83!) USER MOD Set 3.2: A 561 GLN : amide:sc= -3.42 K(o=-6.2,f=-9.3!) USER MOD Set 4.1: A 550 CYS SG : rot 80:sc= 0.204 USER MOD Set 4.2: A 585 SER OG : rot 101:sc= 0.929 USER MOD Set 4.3: A 612 THR OG1 : rot 49:sc= 1.51 USER MOD Set 5.1: A 536 MET CE :methyl 143:sc= -0.102 (180deg=-0.187) USER MOD Set 5.2: A 547 MET CE :methyl -173:sc= -0.111 (180deg=-0.00286) USER MOD Set 5.3: A 605 THR OG1 : rot 128:sc= 1.66 USER MOD Set 5.4: A 606 MET CE :methyl -170:sc= -0.0339 (180deg=-0.333) USER MOD Single : A 528 THR OG1 : rot 150:sc= 0 USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 532 ASN : amide:sc= 0.878 K(o=0.88,f=-9.2!) USER MOD Single : A 539 HIS :FLIP no HD1:sc= -0.528 F(o=-1.4,f=-0.53) USER MOD Single : A 543 THR OG1 : rot -74:sc= 1.3 USER MOD Single : A 545 LYS NZ :NH3+ -155:sc= 1.19 (180deg=0.705) USER MOD Single : A 551 MET CE :methyl 166:sc= -1.19 (180deg=-2.17!) USER MOD Single : A 559 THR OG1 : rot 150:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot -130:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -3.69! C(o=-6.7!,f=-3.7!) USER MOD Single : A 576 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 TYR OH : rot 15:sc= -1.16 USER MOD Single : A 584 THR OG1 : rot -96:sc= 0.193 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 594 THR OG1 : rot 93:sc= 1.04 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -0.629 K(o=-0.63,f=-4.7!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.172 K(o=0.17,f=-0.53) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-5.2!) USER MOD Single : A 616 ASN : amide:sc=-0.00974 K(o=-0.0097,f=-1.2) USER MOD Single : A 623 CYS SG : rot 140:sc= -0.211 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 SER OG : rot 21:sc= -0.525 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 645 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 77:sc= 0.938 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 0.425 16.858 -6.337 1.00 0.00 N ATOM 215 CA GLU A 524 0.575 15.439 -6.030 1.00 0.00 C ATOM 216 C GLU A 524 1.744 15.271 -5.075 1.00 0.00 C ATOM 217 O GLU A 524 2.674 16.078 -5.081 1.00 0.00 O ATOM 218 CB GLU A 524 0.802 14.608 -7.300 1.00 0.00 C ATOM 219 CG GLU A 524 -0.527 14.339 -8.009 1.00 0.00 C ATOM 220 CD GLU A 524 -0.366 13.613 -9.341 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.056 12.440 -9.340 1.00 0.00 O ATOM 222 OE2 GLU A 524 -0.718 14.196 -10.395 1.00 0.00 O ATOM 0 HA GLU A 524 -0.344 15.078 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 524 1.479 15.137 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 524 1.281 13.664 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -1.166 13.746 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -1.038 15.287 -8.179 1.00 0.00 H new ATOM 229 N ILE A 525 1.700 14.212 -4.269 1.00 0.00 N ATOM 230 CA ILE A 525 2.554 14.016 -3.107 1.00 0.00 C ATOM 231 C ILE A 525 3.338 12.732 -3.334 1.00 0.00 C ATOM 232 O ILE A 525 2.716 11.702 -3.607 1.00 0.00 O ATOM 233 CB ILE A 525 1.734 13.938 -1.811 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.369 14.636 -1.855 1.00 0.00 C ATOM 235 CG2 ILE A 525 2.570 14.484 -0.647 1.00 0.00 C ATOM 236 CD1 ILE A 525 0.364 16.158 -1.997 1.00 0.00 C ATOM 0 H ILE A 525 1.046 13.443 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 525 3.229 14.864 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 525 1.502 12.882 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -0.197 14.218 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -0.170 14.381 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 525 1.990 14.430 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.477 13.889 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 525 2.838 15.522 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -0.665 16.518 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 525 0.890 16.604 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 525 0.863 16.439 -2.925 1.00 0.00 H new ATOM 248 N LEU A 526 4.666 12.769 -3.288 1.00 0.00 N ATOM 249 CA LEU A 526 5.488 11.593 -3.530 1.00 0.00 C ATOM 250 C LEU A 526 6.758 11.696 -2.710 1.00 0.00 C ATOM 251 O LEU A 526 7.363 12.759 -2.581 1.00 0.00 O ATOM 252 CB LEU A 526 5.769 11.479 -5.024 1.00 0.00 C ATOM 253 CG LEU A 526 6.062 10.104 -5.660 1.00 0.00 C ATOM 254 CD1 LEU A 526 7.271 9.352 -5.107 1.00 0.00 C ATOM 255 CD2 LEU A 526 4.836 9.190 -5.585 1.00 0.00 C ATOM 0 H LEU A 526 5.200 13.614 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 526 4.970 10.685 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 526 4.910 11.899 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 526 6.621 12.123 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 526 6.312 10.352 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 526 7.378 8.401 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 526 8.170 9.950 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 526 7.129 9.167 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 526 5.071 8.228 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 526 4.558 9.039 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.005 9.651 -6.119 1.00 0.00 H new ATOM 267 N GLY A 527 7.139 10.551 -2.174 1.00 0.00 N ATOM 268 CA GLY A 527 8.169 10.374 -1.165 1.00 0.00 C ATOM 269 C GLY A 527 7.599 9.680 0.068 1.00 0.00 C ATOM 270 O GLY A 527 6.428 9.283 0.077 1.00 0.00 O ATOM 0 H GLY A 527 6.712 9.666 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 527 8.989 9.784 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.582 11.343 -0.885 1.00 0.00 H new ATOM 274 N THR A 528 8.421 9.494 1.100 1.00 0.00 N ATOM 275 CA THR A 528 7.997 8.855 2.332 1.00 0.00 C ATOM 276 C THR A 528 7.288 9.872 3.231 1.00 0.00 C ATOM 277 O THR A 528 7.678 11.041 3.281 1.00 0.00 O ATOM 278 CB THR A 528 9.192 8.245 3.069 1.00 0.00 C ATOM 279 OG1 THR A 528 10.124 7.631 2.196 1.00 0.00 O ATOM 280 CG2 THR A 528 8.756 7.174 4.084 1.00 0.00 C ATOM 0 H THR A 528 9.399 9.784 1.099 1.00 0.00 H new ATOM 0 HA THR A 528 7.303 8.052 2.082 1.00 0.00 H new ATOM 0 HB THR A 528 9.661 9.089 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 528 11.023 7.691 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.635 6.767 4.584 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.092 7.622 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.231 6.372 3.564 1.00 0.00 H new ATOM 288 N VAL A 529 6.288 9.415 3.975 1.00 0.00 N ATOM 289 CA VAL A 529 5.458 10.183 4.906 1.00 0.00 C ATOM 290 C VAL A 529 5.141 9.331 6.149 1.00 0.00 C ATOM 291 O VAL A 529 5.644 8.211 6.281 1.00 0.00 O ATOM 292 CB VAL A 529 4.187 10.680 4.174 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.533 11.695 3.080 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.390 9.542 3.520 1.00 0.00 C ATOM 0 H VAL A 529 6.014 8.433 3.945 1.00 0.00 H new ATOM 0 HA VAL A 529 5.994 11.065 5.257 1.00 0.00 H new ATOM 0 HB VAL A 529 3.575 11.143 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.619 12.023 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.033 12.555 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.194 11.230 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.511 9.952 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.017 9.033 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.076 8.832 4.285 1.00 0.00 H new ATOM 304 N SER A 530 4.306 9.849 7.053 1.00 0.00 N ATOM 305 CA SER A 530 3.825 9.174 8.260 1.00 0.00 C ATOM 306 C SER A 530 2.293 9.271 8.306 1.00 0.00 C ATOM 307 O SER A 530 1.672 9.606 9.319 1.00 0.00 O ATOM 308 CB SER A 530 4.551 9.719 9.501 1.00 0.00 C ATOM 309 OG SER A 530 4.692 11.130 9.456 1.00 0.00 O ATOM 0 H SER A 530 3.930 10.793 6.959 1.00 0.00 H new ATOM 0 HA SER A 530 4.063 8.110 8.245 1.00 0.00 H new ATOM 0 HB2 SER A 530 3.998 9.438 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 530 5.536 9.258 9.577 1.00 0.00 H new ATOM 0 HG SER A 530 5.156 11.438 10.262 1.00 0.00 H new ATOM 315 N TRP A 531 1.672 9.009 7.156 1.00 0.00 N ATOM 316 CA TRP A 531 0.286 8.650 7.022 1.00 0.00 C ATOM 317 C TRP A 531 0.128 7.214 7.556 1.00 0.00 C ATOM 318 O TRP A 531 1.003 6.612 8.188 1.00 0.00 O ATOM 319 CB TRP A 531 -0.158 8.749 5.549 1.00 0.00 C ATOM 320 CG TRP A 531 0.108 10.011 4.808 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.497 11.187 5.346 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.017 10.228 3.367 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.662 12.106 4.338 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.397 11.571 3.093 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.289 9.408 2.257 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.458 12.076 1.784 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.256 9.916 0.943 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.113 11.252 0.704 1.00 0.00 C ATOM 0 H TRP A 531 2.156 9.047 6.259 1.00 0.00 H new ATOM 0 HA TRP A 531 -0.346 9.332 7.591 1.00 0.00 H new ATOM 0 HB2 TRP A 531 0.323 7.937 5.003 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -1.232 8.565 5.514 1.00 0.00 H new ATOM 0 HD1 TRP A 531 0.653 11.375 6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 531 0.948 13.073 4.492 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.553 8.373 2.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.770 13.095 1.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.516 9.275 0.114 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.130 11.640 -0.304 1.00 0.00 H new ATOM 339 N ASN A 532 -1.037 6.651 7.306 1.00 0.00 N ATOM 340 CA ASN A 532 -1.648 5.530 7.990 1.00 0.00 C ATOM 341 C ASN A 532 -2.866 5.178 7.144 1.00 0.00 C ATOM 342 O ASN A 532 -3.238 5.937 6.246 1.00 0.00 O ATOM 343 CB ASN A 532 -2.083 6.002 9.388 1.00 0.00 C ATOM 344 CG ASN A 532 -2.817 7.325 9.257 1.00 0.00 C ATOM 345 OD1 ASN A 532 -3.933 7.355 8.760 1.00 0.00 O ATOM 346 ND2 ASN A 532 -2.125 8.423 9.522 1.00 0.00 N ATOM 0 H ASN A 532 -1.632 6.997 6.553 1.00 0.00 H new ATOM 0 HA ASN A 532 -0.983 4.674 8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.729 5.257 9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.213 6.117 10.034 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -2.521 9.339 9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -1.196 8.353 9.937 1.00 0.00 H new ATOM 353 N LEU A 533 -3.538 4.064 7.421 1.00 0.00 N ATOM 354 CA LEU A 533 -4.610 3.593 6.542 1.00 0.00 C ATOM 355 C LEU A 533 -5.883 4.476 6.637 1.00 0.00 C ATOM 356 O LEU A 533 -6.948 4.027 6.215 1.00 0.00 O ATOM 357 CB LEU A 533 -4.986 2.121 6.803 1.00 0.00 C ATOM 358 CG LEU A 533 -3.887 1.046 6.884 1.00 0.00 C ATOM 359 CD1 LEU A 533 -2.700 1.283 5.949 1.00 0.00 C ATOM 360 CD2 LEU A 533 -3.410 0.879 8.326 1.00 0.00 C ATOM 0 H LEU A 533 -3.364 3.475 8.236 1.00 0.00 H new ATOM 0 HA LEU A 533 -4.207 3.671 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -5.539 2.090 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.677 1.819 6.016 1.00 0.00 H new ATOM 0 HG LEU A 533 -4.351 0.123 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -1.974 0.479 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -3.049 1.303 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -2.230 2.236 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.633 0.115 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -3.008 1.825 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -4.248 0.577 8.954 1.00 0.00 H new ATOM 372 N ARG A 534 -5.850 5.661 7.259 1.00 0.00 N ATOM 373 CA ARG A 534 -6.824 6.735 7.046 1.00 0.00 C ATOM 374 C ARG A 534 -6.291 7.640 5.931 1.00 0.00 C ATOM 375 O ARG A 534 -6.825 7.666 4.828 1.00 0.00 O ATOM 376 CB ARG A 534 -7.081 7.578 8.313 1.00 0.00 C ATOM 377 CG ARG A 534 -7.475 6.836 9.590 1.00 0.00 C ATOM 378 CD ARG A 534 -8.882 6.242 9.545 1.00 0.00 C ATOM 379 NE ARG A 534 -9.397 6.010 10.904 1.00 0.00 N ATOM 380 CZ ARG A 534 -9.279 4.910 11.654 1.00 0.00 C ATOM 381 NH1 ARG A 534 -8.711 3.809 11.188 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.725 4.904 12.897 1.00 0.00 N ATOM 0 H ARG A 534 -5.129 5.904 7.939 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.777 6.280 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.179 8.152 8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.869 8.295 8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -6.758 6.035 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.406 7.522 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -9.549 6.917 9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -8.867 5.303 8.992 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.908 6.785 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.350 3.786 10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -8.634 2.984 11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.161 5.740 13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -9.634 4.063 13.467 1.00 0.00 H new ATOM 396 N GLU A 535 -5.206 8.361 6.209 1.00 0.00 N ATOM 397 CA GLU A 535 -4.646 9.376 5.325 1.00 0.00 C ATOM 398 C GLU A 535 -4.218 8.779 3.971 1.00 0.00 C ATOM 399 O GLU A 535 -4.410 9.392 2.920 1.00 0.00 O ATOM 400 CB GLU A 535 -3.476 10.050 6.059 1.00 0.00 C ATOM 401 CG GLU A 535 -3.939 11.208 6.954 1.00 0.00 C ATOM 402 CD GLU A 535 -4.764 10.772 8.169 1.00 0.00 C ATOM 403 OE1 GLU A 535 -4.137 10.443 9.209 1.00 0.00 O ATOM 404 OE2 GLU A 535 -6.017 10.799 8.068 1.00 0.00 O ATOM 0 H GLU A 535 -4.681 8.251 7.077 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.404 10.123 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.956 9.309 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.758 10.423 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -3.063 11.756 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -4.532 11.900 6.356 1.00 0.00 H new ATOM 411 N MET A 536 -3.679 7.558 3.969 1.00 0.00 N ATOM 412 CA MET A 536 -3.249 6.839 2.783 1.00 0.00 C ATOM 413 C MET A 536 -4.441 6.564 1.879 1.00 0.00 C ATOM 414 O MET A 536 -4.429 6.993 0.731 1.00 0.00 O ATOM 415 CB MET A 536 -2.563 5.537 3.196 1.00 0.00 C ATOM 416 CG MET A 536 -1.247 5.798 3.927 1.00 0.00 C ATOM 417 SD MET A 536 -0.479 4.338 4.667 1.00 0.00 S ATOM 418 CE MET A 536 0.063 3.565 3.136 1.00 0.00 C ATOM 0 H MET A 536 -3.527 7.029 4.828 1.00 0.00 H new ATOM 0 HA MET A 536 -2.536 7.447 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.229 4.963 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.373 4.929 2.311 1.00 0.00 H new ATOM 0 HG2 MET A 536 -0.542 6.244 3.226 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.425 6.533 4.712 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.031 3.088 3.292 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.666 2.815 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.153 4.323 2.358 1.00 0.00 H new ATOM 428 N LEU A 537 -5.475 5.900 2.409 1.00 0.00 N ATOM 429 CA LEU A 537 -6.786 5.738 1.851 1.00 0.00 C ATOM 430 C LEU A 537 -7.318 7.000 1.200 1.00 0.00 C ATOM 431 O LEU A 537 -7.748 6.934 0.050 1.00 0.00 O ATOM 432 CB LEU A 537 -7.687 5.301 3.015 1.00 0.00 C ATOM 433 CG LEU A 537 -8.132 3.873 2.827 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.056 2.802 2.911 1.00 0.00 C ATOM 435 CD2 LEU A 537 -9.239 3.556 3.819 1.00 0.00 C ATOM 0 H LEU A 537 -5.390 5.432 3.311 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.760 5.000 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.148 5.400 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.557 5.955 3.075 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.473 3.830 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.506 1.821 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.305 2.980 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.584 2.836 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.563 2.524 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.867 3.691 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -10.082 4.226 3.649 1.00 0.00 H new ATOM 447 N ALA A 538 -7.294 8.130 1.910 1.00 0.00 N ATOM 448 CA ALA A 538 -7.799 9.380 1.369 1.00 0.00 C ATOM 449 C ALA A 538 -7.047 9.736 0.084 1.00 0.00 C ATOM 450 O ALA A 538 -7.688 9.994 -0.939 1.00 0.00 O ATOM 451 CB ALA A 538 -7.727 10.493 2.415 1.00 0.00 C ATOM 0 H ALA A 538 -6.929 8.198 2.860 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.851 9.261 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.110 11.419 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.328 10.217 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.691 10.637 2.723 1.00 0.00 H new ATOM 457 N HIS A 539 -5.709 9.706 0.105 1.00 0.00 N ATOM 458 CA HIS A 539 -4.908 9.962 -1.090 1.00 0.00 C ATOM 459 C HIS A 539 -5.183 8.918 -2.178 1.00 0.00 C ATOM 460 O HIS A 539 -5.446 9.309 -3.314 1.00 0.00 O ATOM 461 CB HIS A 539 -3.416 10.049 -0.734 1.00 0.00 C ATOM 462 CG HIS A 539 -2.557 10.527 -1.884 1.00 0.00 C ATOM 463 ND1 HIS A 539 -1.609 9.795 -2.549 1.00 0.00 N flip ATOM 464 CD2 HIS A 539 -2.599 11.787 -2.455 1.00 0.00 C flip ATOM 465 CE1 HIS A 539 -1.062 10.631 -3.514 1.00 0.00 C flip ATOM 466 NE2 HIS A 539 -1.692 11.821 -3.443 1.00 0.00 N flip ATOM 0 H HIS A 539 -5.160 9.506 0.941 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.202 10.928 -1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.289 10.725 0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.068 9.068 -0.412 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -3.247 12.599 -2.158 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -0.270 10.373 -4.201 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -1.508 12.622 -4.047 1.00 0.00 H new ATOM 475 N ALA A 540 -5.122 7.615 -1.877 1.00 0.00 N ATOM 476 CA ALA A 540 -5.389 6.533 -2.821 1.00 0.00 C ATOM 477 C ALA A 540 -6.756 6.665 -3.495 1.00 0.00 C ATOM 478 O ALA A 540 -6.842 6.387 -4.683 1.00 0.00 O ATOM 479 CB ALA A 540 -5.303 5.186 -2.103 1.00 0.00 C ATOM 0 H ALA A 540 -4.879 7.280 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.632 6.595 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.503 4.382 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.305 5.060 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.040 5.154 -1.301 1.00 0.00 H new ATOM 485 N GLU A 541 -7.824 7.063 -2.797 1.00 0.00 N ATOM 486 CA GLU A 541 -9.131 7.277 -3.422 1.00 0.00 C ATOM 487 C GLU A 541 -9.084 8.517 -4.307 1.00 0.00 C ATOM 488 O GLU A 541 -9.551 8.478 -5.444 1.00 0.00 O ATOM 489 CB GLU A 541 -10.240 7.428 -2.359 1.00 0.00 C ATOM 490 CG GLU A 541 -11.152 6.190 -2.267 1.00 0.00 C ATOM 491 CD GLU A 541 -12.558 6.354 -2.870 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.711 7.008 -3.931 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.540 5.830 -2.285 1.00 0.00 O ATOM 0 H GLU A 541 -7.807 7.244 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.365 6.404 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.782 7.609 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.846 8.303 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.656 5.358 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.256 5.915 -1.217 1.00 0.00 H new ATOM 500 N GLU A 542 -8.542 9.626 -3.802 1.00 0.00 N ATOM 501 CA GLU A 542 -8.505 10.900 -4.513 1.00 0.00 C ATOM 502 C GLU A 542 -7.790 10.740 -5.854 1.00 0.00 C ATOM 503 O GLU A 542 -8.298 11.194 -6.881 1.00 0.00 O ATOM 504 CB GLU A 542 -7.862 11.951 -3.592 1.00 0.00 C ATOM 505 CG GLU A 542 -7.960 13.393 -4.108 1.00 0.00 C ATOM 506 CD GLU A 542 -7.657 14.391 -2.984 1.00 0.00 C ATOM 507 OE1 GLU A 542 -6.626 14.222 -2.295 1.00 0.00 O ATOM 508 OE2 GLU A 542 -8.480 15.298 -2.711 1.00 0.00 O ATOM 0 H GLU A 542 -8.112 9.663 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.510 11.244 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.336 11.896 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.811 11.699 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.259 13.539 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.959 13.576 -4.504 1.00 0.00 H new ATOM 515 N THR A 543 -6.673 10.014 -5.846 1.00 0.00 N ATOM 516 CA THR A 543 -5.743 9.914 -6.963 1.00 0.00 C ATOM 517 C THR A 543 -5.822 8.577 -7.710 1.00 0.00 C ATOM 518 O THR A 543 -5.166 8.405 -8.734 1.00 0.00 O ATOM 519 CB THR A 543 -4.324 10.180 -6.435 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.925 9.216 -5.474 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.208 11.560 -5.781 1.00 0.00 C ATOM 0 H THR A 543 -6.384 9.464 -5.037 1.00 0.00 H new ATOM 0 HA THR A 543 -6.020 10.664 -7.704 1.00 0.00 H new ATOM 0 HB THR A 543 -3.674 10.124 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.396 9.380 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.190 11.708 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.450 12.331 -6.513 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.902 11.625 -4.943 1.00 0.00 H new ATOM 529 N ARG A 544 -6.601 7.610 -7.206 1.00 0.00 N ATOM 530 CA ARG A 544 -6.685 6.225 -7.690 1.00 0.00 C ATOM 531 C ARG A 544 -5.339 5.473 -7.707 1.00 0.00 C ATOM 532 O ARG A 544 -5.240 4.383 -8.279 1.00 0.00 O ATOM 533 CB ARG A 544 -7.498 6.159 -8.999 1.00 0.00 C ATOM 534 CG ARG A 544 -9.008 6.025 -8.736 1.00 0.00 C ATOM 535 CD ARG A 544 -9.702 7.319 -8.288 1.00 0.00 C ATOM 536 NE ARG A 544 -10.458 7.912 -9.394 1.00 0.00 N ATOM 537 CZ ARG A 544 -10.756 9.196 -9.603 1.00 0.00 C ATOM 538 NH1 ARG A 544 -10.300 10.184 -8.839 1.00 0.00 N ATOM 539 NH2 ARG A 544 -11.539 9.473 -10.634 1.00 0.00 N ATOM 0 H ARG A 544 -7.219 7.780 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.246 5.652 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.311 7.058 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.158 5.312 -9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.490 5.667 -9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.163 5.263 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -10.372 7.108 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -8.959 8.030 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 544 -10.802 7.257 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -9.691 9.977 -8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -10.560 11.149 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -11.886 8.720 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -11.795 10.440 -10.835 1.00 0.00 H new ATOM 553 N LYS A 545 -4.302 6.015 -7.061 1.00 0.00 N ATOM 554 CA LYS A 545 -2.978 5.406 -6.960 1.00 0.00 C ATOM 555 C LYS A 545 -3.073 4.088 -6.187 1.00 0.00 C ATOM 556 O LYS A 545 -3.571 4.072 -5.061 1.00 0.00 O ATOM 557 CB LYS A 545 -1.995 6.405 -6.329 1.00 0.00 C ATOM 558 CG LYS A 545 -1.631 7.508 -7.342 1.00 0.00 C ATOM 559 CD LYS A 545 -0.850 8.664 -6.705 1.00 0.00 C ATOM 560 CE LYS A 545 -0.813 9.886 -7.638 1.00 0.00 C ATOM 561 NZ LYS A 545 0.353 9.924 -8.548 1.00 0.00 N ATOM 0 H LYS A 545 -4.365 6.913 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 545 -2.593 5.165 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.440 6.851 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.093 5.885 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.038 7.074 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.544 7.897 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.311 8.940 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.167 8.341 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.725 9.900 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -0.815 10.792 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 0.548 10.908 -8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 1.184 9.528 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 0.148 9.363 -9.399 1.00 0.00 H new ATOM 575 N LEU A 546 -2.616 3.001 -6.816 1.00 0.00 N ATOM 576 CA LEU A 546 -2.715 1.619 -6.352 1.00 0.00 C ATOM 577 C LEU A 546 -2.136 1.479 -4.941 1.00 0.00 C ATOM 578 O LEU A 546 -1.055 1.998 -4.643 1.00 0.00 O ATOM 579 CB LEU A 546 -1.962 0.714 -7.354 1.00 0.00 C ATOM 580 CG LEU A 546 -1.893 -0.784 -6.989 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.271 -1.439 -7.004 1.00 0.00 C ATOM 582 CD2 LEU A 546 -0.991 -1.559 -7.954 1.00 0.00 C ATOM 0 H LEU A 546 -2.140 3.069 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.761 1.317 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.439 0.809 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -0.944 1.090 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.480 -0.825 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.176 -2.493 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -3.918 -0.942 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.705 -1.351 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -0.967 -2.610 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.381 -1.470 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 546 0.018 -1.150 -7.917 1.00 0.00 H new ATOM 594 N MET A 547 -2.806 0.691 -4.102 1.00 0.00 N ATOM 595 CA MET A 547 -2.413 0.391 -2.735 1.00 0.00 C ATOM 596 C MET A 547 -2.076 -1.106 -2.614 1.00 0.00 C ATOM 597 O MET A 547 -2.944 -1.899 -2.256 1.00 0.00 O ATOM 598 CB MET A 547 -3.549 0.860 -1.811 1.00 0.00 C ATOM 599 CG MET A 547 -3.190 0.770 -0.326 1.00 0.00 C ATOM 600 SD MET A 547 -4.449 1.526 0.736 1.00 0.00 S ATOM 601 CE MET A 547 -3.452 1.972 2.173 1.00 0.00 C ATOM 0 H MET A 547 -3.673 0.227 -4.372 1.00 0.00 H new ATOM 0 HA MET A 547 -1.508 0.919 -2.436 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.806 1.891 -2.055 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.437 0.257 -2.001 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.065 -0.276 -0.048 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.232 1.262 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 547 -4.103 2.335 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 547 -2.906 1.096 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.745 2.754 1.897 1.00 0.00 H new ATOM 611 N PRO A 548 -0.844 -1.543 -2.935 1.00 0.00 N ATOM 612 CA PRO A 548 -0.449 -2.937 -2.734 1.00 0.00 C ATOM 613 C PRO A 548 -0.432 -3.319 -1.249 1.00 0.00 C ATOM 614 O PRO A 548 0.056 -2.529 -0.432 1.00 0.00 O ATOM 615 CB PRO A 548 0.928 -3.082 -3.379 1.00 0.00 C ATOM 616 CG PRO A 548 1.386 -1.694 -3.811 1.00 0.00 C ATOM 617 CD PRO A 548 0.212 -0.758 -3.554 1.00 0.00 C ATOM 0 HA PRO A 548 -1.167 -3.618 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.637 -3.516 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.880 -3.753 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.264 -1.381 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 548 1.666 -1.687 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.512 0.063 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.136 -0.314 -4.487 1.00 0.00 H new ATOM 625 N ILE A 549 -0.944 -4.506 -0.899 1.00 0.00 N ATOM 626 CA ILE A 549 -1.066 -4.998 0.471 1.00 0.00 C ATOM 627 C ILE A 549 -0.816 -6.509 0.484 1.00 0.00 C ATOM 628 O ILE A 549 -1.346 -7.228 -0.354 1.00 0.00 O ATOM 629 CB ILE A 549 -2.486 -4.713 1.003 1.00 0.00 C ATOM 630 CG1 ILE A 549 -2.911 -3.233 1.029 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.688 -5.325 2.390 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.257 -2.295 2.046 1.00 0.00 C ATOM 0 H ILE A 549 -1.296 -5.170 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.336 -4.494 1.104 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.135 -5.190 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.731 -2.821 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.988 -3.202 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.697 -5.108 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.547 -6.404 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -1.964 -4.899 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.667 -1.292 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.457 -2.656 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.181 -2.269 1.877 1.00 0.00 H new ATOM 644 N CYS A 550 -0.100 -7.013 1.488 1.00 0.00 N ATOM 645 CA CYS A 550 0.111 -8.440 1.674 1.00 0.00 C ATOM 646 C CYS A 550 -0.919 -8.978 2.664 1.00 0.00 C ATOM 647 O CYS A 550 -0.895 -8.611 3.840 1.00 0.00 O ATOM 648 CB CYS A 550 1.525 -8.706 2.192 1.00 0.00 C ATOM 649 SG CYS A 550 1.963 -10.430 1.811 1.00 0.00 S ATOM 0 H CYS A 550 0.351 -6.435 2.197 1.00 0.00 H new ATOM 0 HA CYS A 550 -0.006 -8.947 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.234 -8.023 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.574 -8.531 3.267 1.00 0.00 H new ATOM 0 HG CYS A 550 2.325 -10.521 0.566 1.00 0.00 H new ATOM 655 N MET A 551 -1.778 -9.894 2.213 1.00 0.00 N ATOM 656 CA MET A 551 -2.811 -10.500 3.053 1.00 0.00 C ATOM 657 C MET A 551 -2.266 -11.352 4.212 1.00 0.00 C ATOM 658 O MET A 551 -3.019 -11.738 5.109 1.00 0.00 O ATOM 659 CB MET A 551 -3.780 -11.300 2.179 1.00 0.00 C ATOM 660 CG MET A 551 -3.156 -12.584 1.622 1.00 0.00 C ATOM 661 SD MET A 551 -4.398 -13.686 0.922 1.00 0.00 S ATOM 662 CE MET A 551 -4.664 -12.800 -0.624 1.00 0.00 C ATOM 0 H MET A 551 -1.776 -10.237 1.252 1.00 0.00 H new ATOM 0 HA MET A 551 -3.340 -9.680 3.538 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.664 -11.555 2.764 1.00 0.00 H new ATOM 0 HB3 MET A 551 -4.115 -10.676 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 551 -2.424 -12.329 0.856 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.619 -13.101 2.417 1.00 0.00 H new ATOM 0 HE1 MET A 551 -5.212 -13.437 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.240 -11.895 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.702 -12.531 -1.060 1.00 0.00 H new ATOM 672 N ASP A 552 -0.970 -11.663 4.191 1.00 0.00 N ATOM 673 CA ASP A 552 -0.240 -12.289 5.287 1.00 0.00 C ATOM 674 C ASP A 552 -0.329 -11.427 6.546 1.00 0.00 C ATOM 675 O ASP A 552 -0.521 -11.955 7.640 1.00 0.00 O ATOM 676 CB ASP A 552 1.208 -12.478 4.850 1.00 0.00 C ATOM 677 CG ASP A 552 2.111 -13.067 5.933 1.00 0.00 C ATOM 678 OD1 ASP A 552 2.109 -14.301 6.110 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.947 -12.304 6.470 1.00 0.00 O ATOM 0 H ASP A 552 -0.381 -11.478 3.379 1.00 0.00 H new ATOM 0 HA ASP A 552 -0.676 -13.259 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.231 -13.130 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.612 -11.515 4.539 1.00 0.00 H new ATOM 684 N VAL A 553 -0.280 -10.099 6.388 1.00 0.00 N ATOM 685 CA VAL A 553 -0.325 -9.150 7.490 1.00 0.00 C ATOM 686 C VAL A 553 -1.795 -8.934 7.842 1.00 0.00 C ATOM 687 O VAL A 553 -2.411 -7.924 7.495 1.00 0.00 O ATOM 688 CB VAL A 553 0.432 -7.850 7.129 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.582 -6.960 8.369 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.840 -8.131 6.576 1.00 0.00 C ATOM 0 H VAL A 553 -0.207 -9.654 5.473 1.00 0.00 H new ATOM 0 HA VAL A 553 0.188 -9.532 8.372 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.158 -7.351 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 553 1.116 -6.049 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -0.405 -6.702 8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 553 1.141 -7.496 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 553 2.332 -7.188 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 553 2.425 -8.666 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.762 -8.738 5.674 1.00 0.00 H new ATOM 700 N ARG A 554 -2.398 -9.903 8.533 1.00 0.00 N ATOM 701 CA ARG A 554 -3.834 -9.885 8.820 1.00 0.00 C ATOM 702 C ARG A 554 -4.247 -8.643 9.610 1.00 0.00 C ATOM 703 O ARG A 554 -5.399 -8.237 9.490 1.00 0.00 O ATOM 704 CB ARG A 554 -4.248 -11.180 9.537 1.00 0.00 C ATOM 705 CG ARG A 554 -4.120 -12.415 8.626 1.00 0.00 C ATOM 706 CD ARG A 554 -5.375 -12.725 7.790 1.00 0.00 C ATOM 707 NE ARG A 554 -6.347 -13.510 8.572 1.00 0.00 N ATOM 708 CZ ARG A 554 -7.517 -14.027 8.185 1.00 0.00 C ATOM 709 NH1 ARG A 554 -7.977 -13.866 6.948 1.00 0.00 N ATOM 710 NH2 ARG A 554 -8.229 -14.699 9.081 1.00 0.00 N ATOM 0 H ARG A 554 -1.910 -10.717 8.907 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.366 -9.834 7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.627 -11.318 10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.278 -11.089 9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.277 -12.267 7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -3.886 -13.283 9.243 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -5.835 -11.794 7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -5.093 -13.277 6.894 1.00 0.00 H new ATOM 0 HE ARG A 554 -6.091 -13.683 9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -7.433 -13.337 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -8.874 -14.272 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -7.879 -14.808 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -9.126 -15.106 8.818 1.00 0.00 H new ATOM 724 N ALA A 555 -3.345 -8.006 10.361 1.00 0.00 N ATOM 725 CA ALA A 555 -3.626 -6.756 11.061 1.00 0.00 C ATOM 726 C ALA A 555 -3.857 -5.574 10.106 1.00 0.00 C ATOM 727 O ALA A 555 -4.617 -4.662 10.432 1.00 0.00 O ATOM 728 CB ALA A 555 -2.467 -6.443 12.008 1.00 0.00 C ATOM 0 H ALA A 555 -2.394 -8.348 10.500 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.553 -6.892 11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.669 -5.510 12.535 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.359 -7.252 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.545 -6.343 11.435 1.00 0.00 H new ATOM 734 N ILE A 556 -3.231 -5.563 8.927 1.00 0.00 N ATOM 735 CA ILE A 556 -3.514 -4.581 7.883 1.00 0.00 C ATOM 736 C ILE A 556 -4.877 -4.916 7.263 1.00 0.00 C ATOM 737 O ILE A 556 -5.704 -4.028 7.047 1.00 0.00 O ATOM 738 CB ILE A 556 -2.352 -4.559 6.869 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.100 -3.883 7.472 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.722 -3.898 5.537 1.00 0.00 C ATOM 741 CD1 ILE A 556 -1.140 -2.351 7.574 1.00 0.00 C ATOM 0 H ILE A 556 -2.511 -6.239 8.671 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.582 -3.569 8.283 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.126 -5.603 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.939 -4.289 8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.236 -4.164 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.860 -3.916 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.548 -4.442 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.022 -2.865 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.209 -1.991 8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -1.263 -1.923 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -1.977 -2.050 8.204 1.00 0.00 H new ATOM 753 N MET A 557 -5.145 -6.199 7.011 1.00 0.00 N ATOM 754 CA MET A 557 -6.409 -6.648 6.433 1.00 0.00 C ATOM 755 C MET A 557 -7.578 -6.309 7.363 1.00 0.00 C ATOM 756 O MET A 557 -8.646 -5.881 6.929 1.00 0.00 O ATOM 757 CB MET A 557 -6.342 -8.153 6.117 1.00 0.00 C ATOM 758 CG MET A 557 -5.090 -8.544 5.315 1.00 0.00 C ATOM 759 SD MET A 557 -4.707 -7.457 3.920 1.00 0.00 S ATOM 760 CE MET A 557 -6.155 -7.721 2.887 1.00 0.00 C ATOM 0 H MET A 557 -4.489 -6.956 7.203 1.00 0.00 H new ATOM 0 HA MET A 557 -6.580 -6.120 5.495 1.00 0.00 H new ATOM 0 HB2 MET A 557 -6.359 -8.716 7.050 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.231 -8.440 5.555 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.234 -8.559 5.990 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.219 -9.559 4.941 1.00 0.00 H new ATOM 0 HE1 MET A 557 -5.876 -8.310 2.013 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.916 -8.255 3.456 1.00 0.00 H new ATOM 0 HE3 MET A 557 -6.552 -6.759 2.564 1.00 0.00 H new ATOM 770 N ALA A 558 -7.368 -6.423 8.672 1.00 0.00 N ATOM 771 CA ALA A 558 -8.342 -6.070 9.686 1.00 0.00 C ATOM 772 C ALA A 558 -8.623 -4.567 9.769 1.00 0.00 C ATOM 773 O ALA A 558 -9.568 -4.189 10.465 1.00 0.00 O ATOM 774 CB ALA A 558 -7.855 -6.609 11.026 1.00 0.00 C ATOM 0 H ALA A 558 -6.492 -6.773 9.060 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.294 -6.523 9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.575 -6.354 11.804 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -7.753 -7.693 10.967 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -6.888 -6.166 11.267 1.00 0.00 H new ATOM 780 N THR A 559 -7.866 -3.728 9.059 1.00 0.00 N ATOM 781 CA THR A 559 -8.271 -2.376 8.724 1.00 0.00 C ATOM 782 C THR A 559 -9.151 -2.427 7.463 1.00 0.00 C ATOM 783 O THR A 559 -10.317 -2.040 7.528 1.00 0.00 O ATOM 784 CB THR A 559 -7.025 -1.489 8.552 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.220 -1.468 9.722 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.392 -0.048 8.192 1.00 0.00 C ATOM 0 H THR A 559 -6.945 -3.979 8.700 1.00 0.00 H new ATOM 0 HA THR A 559 -8.862 -1.931 9.525 1.00 0.00 H new ATOM 0 HB THR A 559 -6.460 -1.934 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 559 -5.282 -1.336 9.471 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.482 0.542 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 559 -7.949 -0.038 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.007 0.380 8.984 1.00 0.00 H new ATOM 794 N ILE A 560 -8.633 -2.906 6.324 1.00 0.00 N ATOM 795 CA ILE A 560 -9.280 -2.761 5.016 1.00 0.00 C ATOM 796 C ILE A 560 -10.653 -3.434 5.023 1.00 0.00 C ATOM 797 O ILE A 560 -11.674 -2.762 4.869 1.00 0.00 O ATOM 798 CB ILE A 560 -8.375 -3.309 3.892 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.041 -2.544 3.822 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.060 -3.214 2.514 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.912 -3.434 3.302 1.00 0.00 C ATOM 0 H ILE A 560 -7.746 -3.409 6.286 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.434 -1.701 4.816 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.187 -4.355 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.151 -1.677 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.783 -2.169 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.393 -3.609 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.983 -3.794 2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.289 -2.172 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.985 -2.862 3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.786 -4.288 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.159 -3.788 2.301 1.00 0.00 H new ATOM 813 N GLN A 561 -10.711 -4.756 5.203 1.00 0.00 N ATOM 814 CA GLN A 561 -11.951 -5.500 5.166 1.00 0.00 C ATOM 815 C GLN A 561 -12.931 -4.990 6.237 1.00 0.00 C ATOM 816 O GLN A 561 -14.138 -5.072 6.036 1.00 0.00 O ATOM 817 CB GLN A 561 -11.664 -6.999 5.295 1.00 0.00 C ATOM 818 CG GLN A 561 -11.058 -7.624 4.022 1.00 0.00 C ATOM 819 CD GLN A 561 -9.783 -6.946 3.530 1.00 0.00 C ATOM 820 OE1 GLN A 561 -8.828 -6.784 4.266 1.00 0.00 O ATOM 821 NE2 GLN A 561 -9.732 -6.503 2.286 1.00 0.00 N ATOM 0 H GLN A 561 -9.889 -5.334 5.379 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.438 -5.341 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -10.980 -7.159 6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.591 -7.518 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -10.844 -8.675 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -11.802 -7.591 3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.530 -6.636 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -8.895 -6.028 1.948 1.00 0.00 H new ATOM 830 N ARG A 562 -12.449 -4.408 7.346 1.00 0.00 N ATOM 831 CA ARG A 562 -13.298 -3.794 8.372 1.00 0.00 C ATOM 832 C ARG A 562 -13.897 -2.474 7.908 1.00 0.00 C ATOM 833 O ARG A 562 -15.061 -2.187 8.214 1.00 0.00 O ATOM 834 CB ARG A 562 -12.478 -3.621 9.658 1.00 0.00 C ATOM 835 CG ARG A 562 -13.274 -3.122 10.872 1.00 0.00 C ATOM 836 CD ARG A 562 -12.342 -3.119 12.086 1.00 0.00 C ATOM 837 NE ARG A 562 -12.959 -2.593 13.324 1.00 0.00 N ATOM 838 CZ ARG A 562 -12.326 -2.422 14.502 1.00 0.00 C ATOM 839 NH1 ARG A 562 -11.039 -2.711 14.644 1.00 0.00 N ATOM 840 NH2 ARG A 562 -12.971 -1.980 15.574 1.00 0.00 N ATOM 0 H ARG A 562 -11.452 -4.351 7.555 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.143 -4.453 8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.020 -4.577 9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -11.666 -2.921 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -13.661 -2.120 10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -14.134 -3.767 11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -11.999 -4.137 12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -11.460 -2.523 11.851 1.00 0.00 H new ATOM 0 HE ARG A 562 -13.946 -2.339 13.283 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -10.507 -3.071 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -10.582 -2.573 15.545 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -13.966 -1.762 15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -12.472 -1.858 16.455 1.00 0.00 H new ATOM 854 N LYS A 563 -13.117 -1.652 7.206 1.00 0.00 N ATOM 855 CA LYS A 563 -13.551 -0.389 6.629 1.00 0.00 C ATOM 856 C LYS A 563 -14.623 -0.664 5.584 1.00 0.00 C ATOM 857 O LYS A 563 -15.770 -0.244 5.721 1.00 0.00 O ATOM 858 CB LYS A 563 -12.338 0.334 6.008 1.00 0.00 C ATOM 859 CG LYS A 563 -12.715 1.738 5.516 1.00 0.00 C ATOM 860 CD LYS A 563 -12.604 2.773 6.643 1.00 0.00 C ATOM 861 CE LYS A 563 -11.288 3.542 6.504 1.00 0.00 C ATOM 862 NZ LYS A 563 -11.539 4.940 6.102 1.00 0.00 N ATOM 0 H LYS A 563 -12.135 -1.857 7.020 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.974 0.256 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.539 0.408 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.950 -0.253 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.062 2.024 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.733 1.728 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -13.447 3.463 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.646 2.276 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.748 3.522 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.653 3.054 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.633 5.444 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -12.034 4.955 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -12.126 5.408 6.821 1.00 0.00 H new ATOM 876 N TYR A 564 -14.254 -1.388 4.535 1.00 0.00 N ATOM 877 CA TYR A 564 -15.035 -1.556 3.311 1.00 0.00 C ATOM 878 C TYR A 564 -15.960 -2.759 3.455 1.00 0.00 C ATOM 879 O TYR A 564 -16.172 -3.494 2.502 1.00 0.00 O ATOM 880 CB TYR A 564 -14.071 -1.666 2.119 1.00 0.00 C ATOM 881 CG TYR A 564 -13.190 -0.455 1.841 1.00 0.00 C ATOM 882 CD1 TYR A 564 -11.928 -0.343 2.460 1.00 0.00 C ATOM 883 CD2 TYR A 564 -13.588 0.514 0.898 1.00 0.00 C ATOM 884 CE1 TYR A 564 -11.093 0.759 2.210 1.00 0.00 C ATOM 885 CE2 TYR A 564 -12.751 1.612 0.622 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.526 1.758 1.310 1.00 0.00 C ATOM 887 OH TYR A 564 -10.777 2.870 1.128 1.00 0.00 O ATOM 0 H TYR A 564 -13.369 -1.895 4.510 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.676 -0.694 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.424 -2.528 2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.658 -1.873 1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -11.598 -1.117 3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -14.534 0.414 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -10.134 0.841 2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -13.046 2.343 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.344 3.664 1.218 1.00 0.00 H new ATOM 897 N LYS A 565 -16.508 -2.930 4.660 1.00 0.00 N ATOM 898 CA LYS A 565 -17.173 -4.059 5.294 1.00 0.00 C ATOM 899 C LYS A 565 -17.897 -5.085 4.424 1.00 0.00 C ATOM 900 O LYS A 565 -17.968 -6.245 4.826 1.00 0.00 O ATOM 901 CB LYS A 565 -18.047 -3.535 6.429 1.00 0.00 C ATOM 902 CG LYS A 565 -19.140 -2.644 5.848 1.00 0.00 C ATOM 903 CD LYS A 565 -20.093 -2.022 6.877 1.00 0.00 C ATOM 904 CE LYS A 565 -20.776 -3.156 7.647 1.00 0.00 C ATOM 905 NZ LYS A 565 -21.949 -2.732 8.432 1.00 0.00 N ATOM 0 H LYS A 565 -16.487 -2.147 5.313 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.354 -4.680 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.491 -4.367 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.442 -2.973 7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.669 -1.841 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.727 -3.231 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.543 -1.376 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.836 -1.400 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -21.085 -3.926 6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.049 -3.613 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -22.354 -3.555 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.659 -2.019 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -22.663 -2.322 7.796 1.00 0.00 H new ATOM 919 N GLY A 566 -18.455 -4.710 3.277 1.00 0.00 N ATOM 920 CA GLY A 566 -19.019 -5.672 2.351 1.00 0.00 C ATOM 921 C GLY A 566 -17.955 -6.618 1.773 1.00 0.00 C ATOM 922 O GLY A 566 -18.253 -7.777 1.496 1.00 0.00 O ATOM 0 H GLY A 566 -18.526 -3.740 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.784 -6.258 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.512 -5.142 1.536 1.00 0.00 H new ATOM 926 N ILE A 567 -16.723 -6.135 1.596 1.00 0.00 N ATOM 927 CA ILE A 567 -15.614 -6.792 0.905 1.00 0.00 C ATOM 928 C ILE A 567 -15.151 -8.064 1.638 1.00 0.00 C ATOM 929 O ILE A 567 -15.313 -8.188 2.856 1.00 0.00 O ATOM 930 CB ILE A 567 -14.499 -5.729 0.755 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.520 -5.965 -0.409 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.771 -5.453 2.077 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.101 -6.389 -0.053 1.00 0.00 C ATOM 0 H ILE A 567 -16.458 -5.217 1.954 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.918 -7.150 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.035 -4.822 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.947 -6.728 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.461 -5.046 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.999 -4.700 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.485 -5.089 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.312 -6.373 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.520 -6.520 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -11.636 -5.621 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.129 -7.330 0.497 1.00 0.00 H new ATOM 945 N LYS A 568 -14.504 -8.992 0.932 1.00 0.00 N ATOM 946 CA LYS A 568 -14.097 -10.313 1.414 1.00 0.00 C ATOM 947 C LYS A 568 -12.770 -10.662 0.749 1.00 0.00 C ATOM 948 O LYS A 568 -12.659 -10.458 -0.445 1.00 0.00 O ATOM 949 CB LYS A 568 -15.189 -11.307 0.977 1.00 0.00 C ATOM 950 CG LYS A 568 -15.212 -12.644 1.725 1.00 0.00 C ATOM 951 CD LYS A 568 -15.674 -12.464 3.178 1.00 0.00 C ATOM 952 CE LYS A 568 -14.495 -12.441 4.151 1.00 0.00 C ATOM 953 NZ LYS A 568 -14.895 -11.947 5.479 1.00 0.00 N ATOM 0 H LYS A 568 -14.236 -8.835 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.976 -10.342 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.160 -10.827 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.065 -11.510 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -15.878 -13.338 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.217 -13.088 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -16.237 -11.535 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -16.351 -13.275 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -14.081 -13.445 4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -13.704 -11.807 3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -14.070 -11.945 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -15.266 -10.979 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -15.632 -12.567 5.872 1.00 0.00 H new ATOM 967 N ILE A 569 -11.741 -11.086 1.493 1.00 0.00 N ATOM 968 CA ILE A 569 -10.391 -11.388 0.992 1.00 0.00 C ATOM 969 C ILE A 569 -10.444 -12.211 -0.302 1.00 0.00 C ATOM 970 O ILE A 569 -11.154 -13.213 -0.398 1.00 0.00 O ATOM 971 CB ILE A 569 -9.509 -12.082 2.058 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.464 -11.335 3.405 1.00 0.00 C ATOM 973 CG2 ILE A 569 -8.069 -12.272 1.543 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.781 -9.967 3.324 1.00 0.00 C ATOM 0 H ILE A 569 -11.827 -11.234 2.498 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.922 -10.431 0.764 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.979 -13.049 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.482 -11.203 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.940 -11.951 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.470 -12.762 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.082 -12.889 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.635 -11.300 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.786 -9.499 4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.752 -10.093 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.318 -9.333 2.618 1.00 0.00 H new ATOM 986 N GLN A 570 -9.655 -11.734 -1.259 1.00 0.00 N ATOM 987 CA GLN A 570 -9.495 -12.162 -2.635 1.00 0.00 C ATOM 988 C GLN A 570 -8.015 -12.512 -2.806 1.00 0.00 C ATOM 989 O GLN A 570 -7.280 -12.497 -1.817 1.00 0.00 O ATOM 990 CB GLN A 570 -9.851 -10.981 -3.545 1.00 0.00 C ATOM 991 CG GLN A 570 -11.196 -10.300 -3.261 1.00 0.00 C ATOM 992 CD GLN A 570 -11.102 -8.960 -2.522 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.640 -8.876 -1.275 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.488 -7.939 -3.073 1.00 0.00 N flip ATOM 0 H GLN A 570 -9.042 -10.944 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 570 -10.130 -13.013 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.062 -10.233 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -9.853 -11.330 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -11.712 -10.140 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.813 -10.979 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.846 -7.979 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.452 -7.048 -2.578 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.540 -12.739 -4.022 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.129 -12.723 -4.373 1.00 0.00 C ATOM 1005 C GLU A 571 -5.953 -11.939 -5.681 1.00 0.00 C ATOM 1006 O GLU A 571 -6.941 -11.620 -6.351 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.640 -14.177 -4.453 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.176 -14.336 -4.020 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.802 -15.802 -3.844 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.592 -16.505 -4.860 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -3.674 -16.244 -2.674 1.00 0.00 O ATOM 0 H GLU A 571 -8.146 -12.946 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.521 -12.217 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -6.271 -14.803 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.753 -14.538 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.524 -13.880 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -4.012 -13.803 -3.084 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.706 -11.634 -6.045 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.402 -10.835 -7.219 1.00 0.00 C ATOM 1020 C GLY A 572 -4.749 -9.367 -7.007 1.00 0.00 C ATOM 1021 O GLY A 572 -4.797 -8.856 -5.885 1.00 0.00 O ATOM 0 H GLY A 572 -3.881 -11.938 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.343 -10.928 -7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -4.956 -11.220 -8.075 1.00 0.00 H new ATOM 1025 N ILE A 573 -4.935 -8.662 -8.119 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.488 -7.317 -8.125 1.00 0.00 C ATOM 1027 C ILE A 573 -6.866 -7.350 -7.453 1.00 0.00 C ATOM 1028 O ILE A 573 -7.613 -8.323 -7.584 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.494 -6.796 -9.581 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.124 -6.135 -9.857 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.645 -5.820 -9.859 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -3.796 -5.829 -11.318 1.00 0.00 C ATOM 0 H ILE A 573 -4.703 -9.014 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 573 -4.886 -6.614 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 573 -5.656 -7.637 -10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.075 -5.203 -9.294 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.345 -6.787 -9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.598 -5.488 -10.896 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.597 -6.320 -9.681 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.559 -4.958 -9.198 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.810 -5.368 -11.381 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -3.801 -6.755 -11.894 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.543 -5.146 -11.723 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.200 -6.256 -6.769 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.458 -6.059 -6.076 1.00 0.00 C ATOM 1046 C VAL A 574 -8.934 -4.639 -6.400 1.00 0.00 C ATOM 1047 O VAL A 574 -8.153 -3.686 -6.423 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.219 -6.334 -4.571 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.325 -5.773 -3.666 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.087 -7.843 -4.322 1.00 0.00 C ATOM 0 H VAL A 574 -6.573 -5.456 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.249 -6.740 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.294 -5.818 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.094 -6.001 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.388 -4.693 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.279 -6.226 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.919 -8.023 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.003 -8.345 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.245 -8.234 -4.894 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.227 -4.472 -6.652 1.00 0.00 N ATOM 1061 CA ASP A 575 -10.854 -3.173 -6.876 1.00 0.00 C ATOM 1062 C ASP A 575 -12.117 -3.086 -6.030 1.00 0.00 C ATOM 1063 O ASP A 575 -13.143 -3.673 -6.385 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.141 -2.981 -8.369 1.00 0.00 C ATOM 1065 CG ASP A 575 -11.916 -1.694 -8.644 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -11.805 -0.713 -7.877 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -12.606 -1.618 -9.689 1.00 0.00 O ATOM 0 H ASP A 575 -10.883 -5.251 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.185 -2.367 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.200 -2.962 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -11.710 -3.833 -8.741 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.033 -2.413 -4.878 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.187 -2.198 -4.012 1.00 0.00 C ATOM 1074 C TYR A 576 -12.981 -0.895 -3.244 1.00 0.00 C ATOM 1075 O TYR A 576 -12.370 -0.891 -2.169 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.395 -3.411 -3.083 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.776 -3.523 -2.450 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.202 -2.611 -1.461 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.593 -4.628 -2.765 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.452 -2.775 -0.841 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.834 -4.808 -2.130 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.278 -3.870 -1.173 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.505 -3.999 -0.602 1.00 0.00 O ATOM 0 H TYR A 576 -11.167 -2.006 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.099 -2.105 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -13.201 -4.320 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.652 -3.368 -2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.566 -1.785 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -15.262 -5.344 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.783 -2.058 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.447 -5.663 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.941 -4.808 -0.943 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.458 0.231 -3.784 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.325 1.537 -3.142 1.00 0.00 C ATOM 1095 C GLY A 577 -11.963 2.155 -3.413 1.00 0.00 C ATOM 1096 O GLY A 577 -11.869 3.241 -3.983 1.00 0.00 O ATOM 0 H GLY A 577 -13.947 0.260 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.107 2.204 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.470 1.432 -2.067 1.00 0.00 H new ATOM 1100 N VAL A 578 -10.906 1.448 -3.029 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.530 1.736 -3.389 1.00 0.00 C ATOM 1102 C VAL A 578 -9.070 0.582 -4.282 1.00 0.00 C ATOM 1103 O VAL A 578 -9.536 -0.557 -4.150 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.710 1.967 -2.100 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.190 1.862 -2.276 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.036 3.353 -1.524 1.00 0.00 C ATOM 0 H VAL A 578 -10.993 0.625 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.396 2.655 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.002 1.162 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.700 2.039 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -6.933 0.866 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -6.855 2.607 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.457 3.515 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.783 4.120 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.099 3.410 -1.292 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.180 0.885 -5.227 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.498 -0.127 -6.014 1.00 0.00 C ATOM 1118 C ARG A 579 -6.447 -0.743 -5.099 1.00 0.00 C ATOM 1119 O ARG A 579 -5.509 -0.050 -4.698 1.00 0.00 O ATOM 1120 CB ARG A 579 -6.898 0.504 -7.294 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.419 -0.197 -8.556 1.00 0.00 C ATOM 1122 CD ARG A 579 -8.890 0.118 -8.877 1.00 0.00 C ATOM 1123 NE ARG A 579 -9.048 1.411 -9.560 1.00 0.00 N ATOM 1124 CZ ARG A 579 -10.199 2.028 -9.853 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -11.367 1.525 -9.472 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -10.197 3.172 -10.531 1.00 0.00 N ATOM 0 H ARG A 579 -7.916 1.841 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.174 -0.906 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -7.151 1.564 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -5.811 0.437 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.801 0.096 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -7.306 -1.274 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -9.300 -0.674 -9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -9.468 0.125 -7.953 1.00 0.00 H new ATOM 0 HE ARG A 579 -8.191 1.887 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -11.399 0.652 -8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -12.232 2.012 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -9.314 3.585 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -11.078 3.636 -10.751 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.602 -2.017 -4.746 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.624 -2.775 -3.977 1.00 0.00 C ATOM 1142 C PHE A 580 -4.916 -3.806 -4.870 1.00 0.00 C ATOM 1143 O PHE A 580 -5.314 -4.060 -6.007 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.310 -3.432 -2.769 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.775 -2.486 -1.676 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.879 -2.090 -0.672 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.107 -2.044 -1.619 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.297 -1.264 0.385 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.530 -1.211 -0.566 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.627 -0.802 0.434 1.00 0.00 C ATOM 0 H PHE A 580 -7.429 -2.560 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.856 -2.099 -3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.172 -3.995 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.619 -4.152 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.853 -2.425 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.808 -2.344 -2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.599 -0.983 1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.558 -0.882 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 580 -7.949 -0.144 1.227 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.857 -4.428 -4.351 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.150 -5.532 -4.991 1.00 0.00 C ATOM 1162 C PHE A 581 -2.680 -6.476 -3.898 1.00 0.00 C ATOM 1163 O PHE A 581 -1.837 -6.074 -3.097 1.00 0.00 O ATOM 1164 CB PHE A 581 -1.969 -5.001 -5.817 1.00 0.00 C ATOM 1165 CG PHE A 581 -0.993 -6.056 -6.294 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.370 -6.895 -7.348 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.286 -6.193 -5.725 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.458 -7.817 -7.873 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.207 -7.125 -6.239 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.822 -7.936 -7.316 1.00 0.00 C ATOM 0 H PHE A 581 -3.458 -4.169 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.807 -6.065 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.362 -4.472 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.426 -4.270 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.367 -6.831 -7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.565 -5.576 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.741 -8.438 -8.710 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.194 -7.214 -5.811 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.517 -8.658 -7.719 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.259 -7.672 -3.833 1.00 0.00 N ATOM 1181 CA PHE A 582 -2.935 -8.736 -2.899 1.00 0.00 C ATOM 1182 C PHE A 582 -2.024 -9.769 -3.564 1.00 0.00 C ATOM 1183 O PHE A 582 -2.028 -9.963 -4.782 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.231 -9.377 -2.363 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.189 -8.481 -1.579 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.822 -7.180 -1.171 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.470 -8.965 -1.236 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.721 -6.373 -0.454 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.357 -8.165 -0.495 1.00 0.00 C ATOM 1190 CZ PHE A 582 -6.988 -6.866 -0.116 1.00 0.00 C ATOM 0 H PHE A 582 -4.011 -7.935 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.392 -8.320 -2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -4.776 -9.792 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -3.952 -10.214 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -3.840 -6.801 -1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.770 -9.955 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.435 -5.373 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.326 -8.552 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.680 -6.247 0.436 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.219 -10.439 -2.746 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.227 -11.422 -3.155 1.00 0.00 C ATOM 1202 C TYR A 583 0.084 -12.300 -1.951 1.00 0.00 C ATOM 1203 O TYR A 583 -0.091 -11.893 -0.794 1.00 0.00 O ATOM 1204 CB TYR A 583 1.054 -10.731 -3.671 1.00 0.00 C ATOM 1205 CG TYR A 583 1.488 -9.524 -2.864 1.00 0.00 C ATOM 1206 CD1 TYR A 583 0.900 -8.277 -3.143 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.409 -9.647 -1.807 1.00 0.00 C ATOM 1208 CE1 TYR A 583 1.178 -7.166 -2.342 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.706 -8.529 -1.006 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.057 -7.294 -1.254 1.00 0.00 C ATOM 1211 OH TYR A 583 2.224 -6.220 -0.444 1.00 0.00 O ATOM 0 H TYR A 583 -1.243 -10.304 -1.735 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.617 -12.027 -3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.866 -11.458 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.894 -10.423 -4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 583 0.228 -8.177 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.886 -10.596 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 583 0.719 -6.213 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.426 -8.612 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 583 1.511 -5.569 -0.612 1.00 0.00 H new ATOM 1221 N THR A 584 0.565 -13.498 -2.241 1.00 0.00 N ATOM 1222 CA THR A 584 1.024 -14.496 -1.298 1.00 0.00 C ATOM 1223 C THR A 584 2.359 -14.049 -0.686 1.00 0.00 C ATOM 1224 O THR A 584 3.192 -13.454 -1.370 1.00 0.00 O ATOM 1225 CB THR A 584 1.171 -15.823 -2.079 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.540 -15.598 -3.434 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.135 -16.614 -2.134 1.00 0.00 C ATOM 0 H THR A 584 0.649 -13.817 -3.206 1.00 0.00 H new ATOM 0 HA THR A 584 0.321 -14.629 -0.476 1.00 0.00 H new ATOM 0 HB THR A 584 1.939 -16.378 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 584 0.738 -15.603 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 584 0.022 -17.537 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 584 -0.458 -16.854 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.902 -16.017 -2.627 1.00 0.00 H new ATOM 1235 N SER A 585 2.611 -14.369 0.588 1.00 0.00 N ATOM 1236 CA SER A 585 3.922 -14.162 1.202 1.00 0.00 C ATOM 1237 C SER A 585 4.964 -15.100 0.579 1.00 0.00 C ATOM 1238 O SER A 585 6.157 -14.800 0.613 1.00 0.00 O ATOM 1239 CB SER A 585 3.818 -14.348 2.722 1.00 0.00 C ATOM 1240 OG SER A 585 5.006 -13.974 3.394 1.00 0.00 O ATOM 0 H SER A 585 1.917 -14.775 1.216 1.00 0.00 H new ATOM 0 HA SER A 585 4.255 -13.142 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 585 2.987 -13.754 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 585 3.592 -15.391 2.943 1.00 0.00 H new ATOM 0 HG SER A 585 4.893 -13.083 3.787 1.00 0.00 H new ATOM 1246 N LYS A 586 4.552 -16.223 -0.023 1.00 0.00 N ATOM 1247 CA LYS A 586 5.486 -17.072 -0.752 1.00 0.00 C ATOM 1248 C LYS A 586 6.043 -16.371 -1.992 1.00 0.00 C ATOM 1249 O LYS A 586 7.104 -16.792 -2.462 1.00 0.00 O ATOM 1250 CB LYS A 586 4.846 -18.429 -1.095 1.00 0.00 C ATOM 1251 CG LYS A 586 5.550 -19.549 -0.322 1.00 0.00 C ATOM 1252 CD LYS A 586 4.906 -20.908 -0.593 1.00 0.00 C ATOM 1253 CE LYS A 586 5.749 -22.020 0.037 1.00 0.00 C ATOM 1254 NZ LYS A 586 5.192 -23.355 -0.247 1.00 0.00 N ATOM 0 H LYS A 586 3.588 -16.557 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 586 6.336 -17.267 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.785 -18.414 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.918 -18.614 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 586 6.602 -19.581 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 586 5.513 -19.334 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 586 3.896 -20.929 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 586 4.818 -21.071 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 586 6.769 -21.963 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 586 5.802 -21.870 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 5.790 -24.082 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 4.228 -23.418 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 5.165 -23.508 -1.275 1.00 0.00 H new ATOM 1268 N GLU A 587 5.418 -15.306 -2.503 1.00 0.00 N ATOM 1269 CA GLU A 587 6.031 -14.539 -3.573 1.00 0.00 C ATOM 1270 C GLU A 587 7.174 -13.709 -2.964 1.00 0.00 C ATOM 1271 O GLU A 587 6.965 -13.036 -1.949 1.00 0.00 O ATOM 1272 CB GLU A 587 4.989 -13.682 -4.309 1.00 0.00 C ATOM 1273 CG GLU A 587 5.630 -13.173 -5.610 1.00 0.00 C ATOM 1274 CD GLU A 587 4.668 -12.567 -6.636 1.00 0.00 C ATOM 1275 OE1 GLU A 587 3.425 -12.661 -6.521 1.00 0.00 O ATOM 1276 OE2 GLU A 587 5.171 -11.960 -7.608 1.00 0.00 O ATOM 0 H GLU A 587 4.507 -14.966 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 587 6.446 -15.201 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 587 4.097 -14.270 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.674 -12.845 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 587 6.378 -12.423 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.158 -14.002 -6.081 1.00 0.00 H new ATOM 1283 N PRO A 588 8.409 -13.759 -3.495 1.00 0.00 N ATOM 1284 CA PRO A 588 9.485 -12.929 -2.978 1.00 0.00 C ATOM 1285 C PRO A 588 9.264 -11.460 -3.316 1.00 0.00 C ATOM 1286 O PRO A 588 8.581 -11.108 -4.277 1.00 0.00 O ATOM 1287 CB PRO A 588 10.774 -13.484 -3.583 1.00 0.00 C ATOM 1288 CG PRO A 588 10.334 -14.205 -4.849 1.00 0.00 C ATOM 1289 CD PRO A 588 8.878 -14.602 -4.586 1.00 0.00 C ATOM 0 HA PRO A 588 9.532 -12.963 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.480 -12.685 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.273 -14.165 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.416 -13.558 -5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.954 -15.080 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.269 -14.456 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.806 -15.657 -4.320 1.00 0.00 H new ATOM 1297 N VAL A 589 9.916 -10.600 -2.542 1.00 0.00 N ATOM 1298 CA VAL A 589 9.858 -9.152 -2.690 1.00 0.00 C ATOM 1299 C VAL A 589 10.445 -8.780 -4.066 1.00 0.00 C ATOM 1300 O VAL A 589 9.955 -7.870 -4.734 1.00 0.00 O ATOM 1301 CB VAL A 589 10.616 -8.480 -1.515 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.315 -6.976 -1.421 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.300 -9.056 -0.122 1.00 0.00 C ATOM 0 H VAL A 589 10.516 -10.900 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 589 8.830 -8.791 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 589 11.659 -8.681 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.866 -6.546 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.618 -6.486 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.246 -6.828 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.878 -8.522 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.236 -8.941 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.562 -10.114 -0.098 1.00 0.00 H new ATOM 1313 N ALA A 590 11.437 -9.545 -4.537 1.00 0.00 N ATOM 1314 CA ALA A 590 11.977 -9.430 -5.882 1.00 0.00 C ATOM 1315 C ALA A 590 10.904 -9.673 -6.951 1.00 0.00 C ATOM 1316 O ALA A 590 10.913 -8.999 -7.983 1.00 0.00 O ATOM 1317 CB ALA A 590 13.131 -10.427 -6.043 1.00 0.00 C ATOM 0 H ALA A 590 11.889 -10.270 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 590 12.342 -8.413 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.542 -10.348 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.910 -10.203 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.762 -11.440 -5.880 1.00 0.00 H new ATOM 1323 N SER A 591 9.994 -10.631 -6.738 1.00 0.00 N ATOM 1324 CA SER A 591 8.970 -10.975 -7.706 1.00 0.00 C ATOM 1325 C SER A 591 7.778 -10.006 -7.660 1.00 0.00 C ATOM 1326 O SER A 591 7.295 -9.604 -8.722 1.00 0.00 O ATOM 1327 CB SER A 591 8.557 -12.409 -7.431 1.00 0.00 C ATOM 1328 OG SER A 591 9.487 -13.315 -8.006 1.00 0.00 O ATOM 0 H SER A 591 9.955 -11.186 -5.883 1.00 0.00 H new ATOM 0 HA SER A 591 9.364 -10.886 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.496 -12.576 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.563 -12.592 -7.839 1.00 0.00 H new ATOM 0 HG SER A 591 9.207 -14.235 -7.818 1.00 0.00 H new ATOM 1334 N ILE A 592 7.313 -9.575 -6.482 1.00 0.00 N ATOM 1335 CA ILE A 592 6.181 -8.652 -6.438 1.00 0.00 C ATOM 1336 C ILE A 592 6.550 -7.315 -7.101 1.00 0.00 C ATOM 1337 O ILE A 592 5.761 -6.768 -7.872 1.00 0.00 O ATOM 1338 CB ILE A 592 5.602 -8.510 -5.014 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.546 -7.812 -4.019 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.195 -9.862 -4.414 1.00 0.00 C ATOM 1341 CD1 ILE A 592 6.148 -6.353 -3.807 1.00 0.00 C ATOM 0 H ILE A 592 7.691 -9.842 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 592 5.365 -9.073 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 592 4.724 -7.879 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.526 -8.339 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.570 -7.862 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.794 -9.709 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.435 -10.325 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.067 -10.514 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.834 -5.888 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.193 -5.822 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 592 5.133 -6.306 -3.413 1.00 0.00 H new ATOM 1353 N ILE A 593 7.771 -6.809 -6.876 1.00 0.00 N ATOM 1354 CA ILE A 593 8.237 -5.589 -7.530 1.00 0.00 C ATOM 1355 C ILE A 593 8.351 -5.840 -9.034 1.00 0.00 C ATOM 1356 O ILE A 593 7.832 -5.039 -9.804 1.00 0.00 O ATOM 1357 CB ILE A 593 9.554 -5.080 -6.903 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.267 -4.640 -5.446 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.113 -3.899 -7.721 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.510 -4.224 -4.657 1.00 0.00 C ATOM 0 H ILE A 593 8.451 -7.231 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 593 7.512 -4.790 -7.375 1.00 0.00 H new ATOM 0 HB ILE A 593 10.299 -5.875 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 593 8.566 -3.806 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.776 -5.460 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.041 -3.550 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.308 -4.224 -8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 593 9.386 -3.087 -7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.219 -3.931 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.205 -5.062 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 593 10.992 -3.382 -5.155 1.00 0.00 H new ATOM 1372 N THR A 594 8.976 -6.947 -9.453 1.00 0.00 N ATOM 1373 CA THR A 594 9.067 -7.408 -10.841 1.00 0.00 C ATOM 1374 C THR A 594 7.752 -7.190 -11.607 1.00 0.00 C ATOM 1375 O THR A 594 7.761 -6.649 -12.713 1.00 0.00 O ATOM 1376 CB THR A 594 9.568 -8.865 -10.801 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.981 -8.894 -10.723 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.097 -9.821 -11.888 1.00 0.00 C ATOM 0 H THR A 594 9.453 -7.573 -8.804 1.00 0.00 H new ATOM 0 HA THR A 594 9.782 -6.818 -11.414 1.00 0.00 H new ATOM 0 HB THR A 594 9.090 -9.255 -9.902 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.256 -8.934 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.535 -10.805 -11.722 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.010 -9.898 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 594 9.408 -9.445 -12.863 1.00 0.00 H new ATOM 1386 N LYS A 595 6.632 -7.561 -10.995 1.00 0.00 N ATOM 1387 CA LYS A 595 5.297 -7.463 -11.580 1.00 0.00 C ATOM 1388 C LYS A 595 4.775 -6.028 -11.545 1.00 0.00 C ATOM 1389 O LYS A 595 4.253 -5.550 -12.551 1.00 0.00 O ATOM 1390 CB LYS A 595 4.338 -8.420 -10.853 1.00 0.00 C ATOM 1391 CG LYS A 595 3.829 -9.515 -11.801 1.00 0.00 C ATOM 1392 CD LYS A 595 2.782 -10.378 -11.093 1.00 0.00 C ATOM 1393 CE LYS A 595 2.071 -11.305 -12.078 1.00 0.00 C ATOM 1394 NZ LYS A 595 1.071 -12.140 -11.388 1.00 0.00 N ATOM 0 H LYS A 595 6.627 -7.949 -10.052 1.00 0.00 H new ATOM 0 HA LYS A 595 5.357 -7.755 -12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.848 -8.877 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.493 -7.859 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 595 3.396 -9.062 -12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 595 4.661 -10.137 -12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.262 -10.970 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.051 -9.737 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 595 1.584 -10.713 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 595 2.802 -11.943 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 0.602 -12.761 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 1.542 -12.720 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 0.362 -11.529 -10.934 1.00 0.00 H new ATOM 1408 N LEU A 596 4.950 -5.322 -10.426 1.00 0.00 N ATOM 1409 CA LEU A 596 4.616 -3.905 -10.272 1.00 0.00 C ATOM 1410 C LEU A 596 5.264 -3.048 -11.365 1.00 0.00 C ATOM 1411 O LEU A 596 4.648 -2.107 -11.862 1.00 0.00 O ATOM 1412 CB LEU A 596 5.060 -3.425 -8.876 1.00 0.00 C ATOM 1413 CG LEU A 596 3.977 -3.332 -7.787 1.00 0.00 C ATOM 1414 CD1 LEU A 596 2.988 -4.504 -7.718 1.00 0.00 C ATOM 1415 CD2 LEU A 596 4.659 -3.196 -6.420 1.00 0.00 C ATOM 0 H LEU A 596 5.339 -5.733 -9.577 1.00 0.00 H new ATOM 0 HA LEU A 596 3.536 -3.793 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 596 5.840 -4.098 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 596 5.514 -2.440 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 596 3.380 -2.461 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 596 2.272 -4.329 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.456 -4.588 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 596 3.532 -5.428 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 596 3.901 -3.129 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 596 5.289 -4.067 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 596 5.273 -2.295 -6.408 1.00 0.00 H new ATOM 1427 N ASN A 597 6.485 -3.374 -11.789 1.00 0.00 N ATOM 1428 CA ASN A 597 7.185 -2.625 -12.842 1.00 0.00 C ATOM 1429 C ASN A 597 6.446 -2.723 -14.179 1.00 0.00 C ATOM 1430 O ASN A 597 6.542 -1.830 -15.019 1.00 0.00 O ATOM 1431 CB ASN A 597 8.612 -3.144 -13.057 1.00 0.00 C ATOM 1432 CG ASN A 597 9.432 -3.223 -11.780 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.516 -2.282 -10.997 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.024 -4.375 -11.541 1.00 0.00 N ATOM 0 H ASN A 597 7.018 -4.160 -11.417 1.00 0.00 H new ATOM 0 HA ASN A 597 7.217 -1.589 -12.505 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.565 -4.134 -13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.123 -2.493 -13.767 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.569 -4.501 -10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 597 9.938 -5.141 -12.209 1.00 0.00 H new ATOM 1441 N SER A 598 5.721 -3.815 -14.405 1.00 0.00 N ATOM 1442 CA SER A 598 4.906 -4.058 -15.582 1.00 0.00 C ATOM 1443 C SER A 598 3.531 -3.377 -15.501 1.00 0.00 C ATOM 1444 O SER A 598 2.816 -3.343 -16.505 1.00 0.00 O ATOM 1445 CB SER A 598 4.752 -5.572 -15.708 1.00 0.00 C ATOM 1446 OG SER A 598 5.506 -6.048 -16.806 1.00 0.00 O ATOM 0 H SER A 598 5.687 -4.587 -13.740 1.00 0.00 H new ATOM 0 HA SER A 598 5.394 -3.631 -16.458 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.086 -6.057 -14.790 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.701 -5.829 -15.840 1.00 0.00 H new ATOM 0 HG SER A 598 5.402 -7.020 -16.877 1.00 0.00 H new ATOM 1452 N LEU A 599 3.165 -2.838 -14.338 1.00 0.00 N ATOM 1453 CA LEU A 599 2.061 -1.918 -14.120 1.00 0.00 C ATOM 1454 C LEU A 599 2.571 -0.508 -14.390 1.00 0.00 C ATOM 1455 O LEU A 599 1.884 0.247 -15.072 1.00 0.00 O ATOM 1456 CB LEU A 599 1.496 -2.037 -12.689 1.00 0.00 C ATOM 1457 CG LEU A 599 1.111 -3.461 -12.244 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.657 -3.430 -10.781 1.00 0.00 C ATOM 1459 CD2 LEU A 599 0.008 -4.055 -13.125 1.00 0.00 C ATOM 0 H LEU A 599 3.665 -3.048 -13.474 1.00 0.00 H new ATOM 0 HA LEU A 599 1.241 -2.161 -14.796 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.236 -1.645 -11.991 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.615 -1.400 -12.611 1.00 0.00 H new ATOM 0 HG LEU A 599 1.989 -4.098 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.384 -4.436 -10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.470 -3.060 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.206 -2.772 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.234 -5.059 -12.778 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.881 -3.427 -13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.353 -4.102 -14.158 1.00 0.00 H new ATOM 1471 N ASN A 600 3.789 -0.175 -13.924 1.00 0.00 N ATOM 1472 CA ASN A 600 4.434 1.137 -14.101 1.00 0.00 C ATOM 1473 C ASN A 600 3.489 2.269 -13.692 1.00 0.00 C ATOM 1474 O ASN A 600 3.420 3.319 -14.339 1.00 0.00 O ATOM 1475 CB ASN A 600 5.127 1.320 -15.477 1.00 0.00 C ATOM 1476 CG ASN A 600 4.387 0.701 -16.651 1.00 0.00 C ATOM 1477 OD1 ASN A 600 3.620 1.341 -17.369 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.601 -0.589 -16.844 1.00 0.00 N ATOM 0 H ASN A 600 4.367 -0.831 -13.399 1.00 0.00 H new ATOM 0 HA ASN A 600 5.276 1.183 -13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 600 5.252 2.386 -15.666 1.00 0.00 H new ATOM 0 HB3 ASN A 600 6.126 0.886 -15.426 1.00 0.00 H new ATOM 0 HD21 ASN A 600 4.125 -1.077 -17.603 1.00 0.00 H new ATOM 0 HD22 ASN A 600 5.242 -1.096 -16.234 1.00 0.00 H new ATOM 1485 N GLU A 601 2.793 2.053 -12.574 1.00 0.00 N ATOM 1486 CA GLU A 601 1.825 2.977 -11.999 1.00 0.00 C ATOM 1487 C GLU A 601 2.313 3.527 -10.648 1.00 0.00 C ATOM 1488 O GLU A 601 3.009 2.812 -9.924 1.00 0.00 O ATOM 1489 CB GLU A 601 0.493 2.242 -11.822 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.028 1.719 -13.168 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.532 1.899 -13.279 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -1.981 3.058 -13.430 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.284 0.904 -13.169 1.00 0.00 O ATOM 0 H GLU A 601 2.895 1.198 -12.028 1.00 0.00 H new ATOM 0 HA GLU A 601 1.699 3.826 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.621 1.410 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.242 2.915 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 601 0.466 2.248 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.224 0.664 -13.274 1.00 0.00 H new ATOM 1500 N PRO A 602 1.936 4.765 -10.269 1.00 0.00 N ATOM 1501 CA PRO A 602 2.261 5.346 -8.976 1.00 0.00 C ATOM 1502 C PRO A 602 1.529 4.607 -7.855 1.00 0.00 C ATOM 1503 O PRO A 602 0.297 4.535 -7.855 1.00 0.00 O ATOM 1504 CB PRO A 602 1.832 6.817 -9.029 1.00 0.00 C ATOM 1505 CG PRO A 602 1.056 6.999 -10.334 1.00 0.00 C ATOM 1506 CD PRO A 602 1.053 5.638 -11.016 1.00 0.00 C ATOM 0 HA PRO A 602 3.328 5.263 -8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 602 1.211 7.071 -8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 602 2.700 7.475 -9.000 1.00 0.00 H new ATOM 0 HG2 PRO A 602 0.039 7.339 -10.139 1.00 0.00 H new ATOM 0 HG3 PRO A 602 1.528 7.751 -10.966 1.00 0.00 H new ATOM 0 HD2 PRO A 602 0.044 5.227 -11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 602 1.389 5.728 -12.049 1.00 0.00 H new ATOM 1514 N LEU A 603 2.286 4.099 -6.885 1.00 0.00 N ATOM 1515 CA LEU A 603 1.758 3.374 -5.736 1.00 0.00 C ATOM 1516 C LEU A 603 1.626 4.302 -4.526 1.00 0.00 C ATOM 1517 O LEU A 603 2.267 5.355 -4.456 1.00 0.00 O ATOM 1518 CB LEU A 603 2.692 2.209 -5.367 1.00 0.00 C ATOM 1519 CG LEU A 603 3.152 1.324 -6.540 1.00 0.00 C ATOM 1520 CD1 LEU A 603 4.127 0.281 -5.998 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.983 0.632 -7.244 1.00 0.00 C ATOM 0 H LEU A 603 3.303 4.182 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 603 0.775 2.989 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.575 2.617 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.185 1.578 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 603 3.633 1.959 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.466 -0.358 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.984 0.783 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.627 -0.327 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.362 0.021 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.454 -0.002 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 603 1.299 1.384 -7.639 1.00 0.00 H new ATOM 1533 N VAL A 604 0.886 3.864 -3.509 1.00 0.00 N ATOM 1534 CA VAL A 604 0.875 4.465 -2.179 1.00 0.00 C ATOM 1535 C VAL A 604 0.652 3.343 -1.160 1.00 0.00 C ATOM 1536 O VAL A 604 -0.434 2.776 -1.027 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.122 5.644 -2.107 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.462 5.277 -2.737 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.303 6.196 -0.680 1.00 0.00 C ATOM 0 H VAL A 604 0.262 3.061 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 604 1.830 4.930 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 604 0.318 6.452 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.141 6.127 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.312 5.014 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.892 4.427 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.015 7.021 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.678 5.406 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.656 6.551 -0.303 1.00 0.00 H new ATOM 1549 N THR A 605 1.726 2.966 -0.481 1.00 0.00 N ATOM 1550 CA THR A 605 1.765 1.841 0.450 1.00 0.00 C ATOM 1551 C THR A 605 2.932 1.997 1.445 1.00 0.00 C ATOM 1552 O THR A 605 3.261 3.110 1.854 1.00 0.00 O ATOM 1553 CB THR A 605 1.756 0.521 -0.352 1.00 0.00 C ATOM 1554 OG1 THR A 605 1.542 -0.575 0.516 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.018 0.318 -1.206 1.00 0.00 C ATOM 0 H THR A 605 2.622 3.447 -0.563 1.00 0.00 H new ATOM 0 HA THR A 605 0.874 1.820 1.078 1.00 0.00 H new ATOM 0 HB THR A 605 0.929 0.585 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 605 0.801 -1.120 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 605 2.946 -0.628 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.108 1.135 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 605 3.896 0.303 -0.560 1.00 0.00 H new ATOM 1563 N MET A 606 3.487 0.879 1.913 1.00 0.00 N ATOM 1564 CA MET A 606 4.535 0.688 2.889 1.00 0.00 C ATOM 1565 C MET A 606 5.706 -0.047 2.207 1.00 0.00 C ATOM 1566 O MET A 606 5.564 -0.465 1.051 1.00 0.00 O ATOM 1567 CB MET A 606 3.908 -0.184 3.990 1.00 0.00 C ATOM 1568 CG MET A 606 2.529 0.315 4.450 1.00 0.00 C ATOM 1569 SD MET A 606 1.181 -0.891 4.379 1.00 0.00 S ATOM 1570 CE MET A 606 -0.181 0.213 3.924 1.00 0.00 C ATOM 0 H MET A 606 3.163 -0.023 1.565 1.00 0.00 H new ATOM 0 HA MET A 606 4.918 1.622 3.301 1.00 0.00 H new ATOM 0 HB2 MET A 606 3.813 -1.206 3.624 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.580 -0.214 4.847 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.618 0.670 5.477 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.253 1.174 3.838 1.00 0.00 H new ATOM 0 HE1 MET A 606 -1.127 -0.322 4.007 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.191 1.073 4.593 1.00 0.00 H new ATOM 0 HE3 MET A 606 -0.046 0.553 2.897 1.00 0.00 H new ATOM 1580 N PRO A 607 6.852 -0.270 2.873 1.00 0.00 N ATOM 1581 CA PRO A 607 7.871 -1.166 2.373 1.00 0.00 C ATOM 1582 C PRO A 607 7.335 -2.591 2.466 1.00 0.00 C ATOM 1583 O PRO A 607 7.448 -3.228 3.502 1.00 0.00 O ATOM 1584 CB PRO A 607 9.118 -0.900 3.221 1.00 0.00 C ATOM 1585 CG PRO A 607 8.602 -0.320 4.529 1.00 0.00 C ATOM 1586 CD PRO A 607 7.230 0.237 4.179 1.00 0.00 C ATOM 0 HA PRO A 607 8.134 -1.012 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.679 -1.818 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.792 -0.204 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.535 -1.084 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.263 0.460 4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.497 -0.061 4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.253 1.327 4.171 1.00 0.00 H new ATOM 1594 N ILE A 608 6.713 -3.090 1.399 1.00 0.00 N ATOM 1595 CA ILE A 608 6.126 -4.428 1.327 1.00 0.00 C ATOM 1596 C ILE A 608 7.004 -5.498 1.995 1.00 0.00 C ATOM 1597 O ILE A 608 6.574 -6.213 2.905 1.00 0.00 O ATOM 1598 CB ILE A 608 5.809 -4.762 -0.150 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.814 -3.775 -0.810 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.356 -6.227 -0.276 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.615 -3.357 0.049 1.00 0.00 C ATOM 0 H ILE A 608 6.600 -2.559 0.535 1.00 0.00 H new ATOM 0 HA ILE A 608 5.197 -4.431 1.897 1.00 0.00 H new ATOM 0 HB ILE A 608 6.733 -4.637 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 608 5.360 -2.877 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.438 -4.228 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.135 -6.451 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.150 -6.885 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.461 -6.384 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 608 2.987 -2.666 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 608 3.034 -4.239 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.970 -2.868 0.956 1.00 0.00 H new ATOM 1613 N GLY A 609 8.243 -5.629 1.533 1.00 0.00 N ATOM 1614 CA GLY A 609 9.179 -6.600 2.067 1.00 0.00 C ATOM 1615 C GLY A 609 9.853 -6.037 3.296 1.00 0.00 C ATOM 1616 O GLY A 609 11.012 -5.686 3.202 1.00 0.00 O ATOM 0 H GLY A 609 8.623 -5.061 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.656 -7.523 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.926 -6.851 1.314 1.00 0.00 H new ATOM 1620 N TYR A 610 9.143 -5.939 4.414 1.00 0.00 N ATOM 1621 CA TYR A 610 9.596 -5.391 5.696 1.00 0.00 C ATOM 1622 C TYR A 610 9.126 -6.251 6.860 1.00 0.00 C ATOM 1623 O TYR A 610 9.886 -6.512 7.785 1.00 0.00 O ATOM 1624 CB TYR A 610 9.034 -3.974 5.829 1.00 0.00 C ATOM 1625 CG TYR A 610 9.302 -3.241 7.119 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.620 -2.963 7.513 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.221 -2.780 7.892 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.862 -2.286 8.721 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.455 -2.102 9.097 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.778 -1.873 9.530 1.00 0.00 C ATOM 1631 OH TYR A 610 9.991 -1.216 10.701 1.00 0.00 O ATOM 0 H TYR A 610 8.175 -6.259 4.457 1.00 0.00 H new ATOM 0 HA TYR A 610 10.686 -5.377 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.434 -3.375 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.954 -4.025 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.447 -3.269 6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.208 -2.949 7.557 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.876 -2.081 9.031 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.623 -1.756 9.693 1.00 0.00 H new ATOM 0 HH TYR A 610 9.130 -1.010 11.122 1.00 0.00 H new ATOM 1641 N VAL A 611 7.886 -6.722 6.788 1.00 0.00 N ATOM 1642 CA VAL A 611 7.178 -7.337 7.900 1.00 0.00 C ATOM 1643 C VAL A 611 6.891 -8.781 7.548 1.00 0.00 C ATOM 1644 O VAL A 611 7.568 -9.670 8.046 1.00 0.00 O ATOM 1645 CB VAL A 611 5.940 -6.536 8.351 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.321 -5.534 9.451 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.282 -5.795 7.184 1.00 0.00 C ATOM 0 H VAL A 611 7.333 -6.685 5.932 1.00 0.00 H new ATOM 0 HA VAL A 611 7.814 -7.322 8.785 1.00 0.00 H new ATOM 0 HB VAL A 611 5.219 -7.252 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 611 5.436 -4.977 9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 611 6.727 -6.071 10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.071 -4.842 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 611 4.414 -5.244 7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 611 5.997 -5.099 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 611 4.966 -6.514 6.428 1.00 0.00 H new ATOM 1657 N THR A 612 5.972 -9.000 6.606 1.00 0.00 N ATOM 1658 CA THR A 612 5.595 -10.310 6.108 1.00 0.00 C ATOM 1659 C THR A 612 6.826 -11.143 5.748 1.00 0.00 C ATOM 1660 O THR A 612 6.991 -12.255 6.247 1.00 0.00 O ATOM 1661 CB THR A 612 4.598 -10.159 4.948 1.00 0.00 C ATOM 1662 OG1 THR A 612 4.303 -11.429 4.424 1.00 0.00 O ATOM 1663 CG2 THR A 612 5.067 -9.219 3.832 1.00 0.00 C ATOM 0 H THR A 612 5.457 -8.241 6.159 1.00 0.00 H new ATOM 0 HA THR A 612 5.088 -10.866 6.897 1.00 0.00 H new ATOM 0 HB THR A 612 3.705 -9.693 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 612 4.084 -12.042 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.305 -9.169 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.233 -8.223 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.997 -9.596 3.406 1.00 0.00 H new ATOM 1671 N HIS A 613 7.725 -10.609 4.909 1.00 0.00 N ATOM 1672 CA HIS A 613 8.899 -11.356 4.472 1.00 0.00 C ATOM 1673 C HIS A 613 10.010 -11.395 5.529 1.00 0.00 C ATOM 1674 O HIS A 613 11.109 -11.857 5.218 1.00 0.00 O ATOM 1675 CB HIS A 613 9.374 -10.932 3.061 1.00 0.00 C ATOM 1676 CG HIS A 613 9.240 -12.073 2.071 1.00 0.00 C ATOM 1677 ND1 HIS A 613 9.473 -13.416 2.347 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.649 -11.996 0.837 1.00 0.00 C ATOM 1679 CE1 HIS A 613 8.982 -14.130 1.318 1.00 0.00 C ATOM 1680 NE2 HIS A 613 8.481 -13.288 0.396 1.00 0.00 N ATOM 0 H HIS A 613 7.657 -9.667 4.524 1.00 0.00 H new ATOM 0 HA HIS A 613 8.590 -12.396 4.366 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.788 -10.079 2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.413 -10.607 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.369 -11.095 0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 613 8.989 -15.207 1.244 1.00 0.00 H new ATOM 0 HE2 HIS A 613 8.048 -13.563 -0.486 1.00 0.00 H new ATOM 1689 N GLY A 614 9.756 -10.909 6.747 1.00 0.00 N ATOM 1690 CA GLY A 614 10.707 -10.855 7.844 1.00 0.00 C ATOM 1691 C GLY A 614 11.969 -10.103 7.459 1.00 0.00 C ATOM 1692 O GLY A 614 13.066 -10.566 7.771 1.00 0.00 O ATOM 0 H GLY A 614 8.844 -10.529 6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.243 -10.371 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.967 -11.868 8.150 1.00 0.00 H new ATOM 1696 N PHE A 615 11.831 -9.008 6.706 1.00 0.00 N ATOM 1697 CA PHE A 615 12.990 -8.184 6.384 1.00 0.00 C ATOM 1698 C PHE A 615 13.253 -7.236 7.562 1.00 0.00 C ATOM 1699 O PHE A 615 12.646 -7.331 8.630 1.00 0.00 O ATOM 1700 CB PHE A 615 12.768 -7.473 5.037 1.00 0.00 C ATOM 1701 CG PHE A 615 13.054 -8.265 3.762 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.138 -9.671 3.749 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.241 -7.568 2.552 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.396 -10.360 2.551 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.497 -8.247 1.353 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.570 -9.649 1.352 1.00 0.00 C ATOM 0 H PHE A 615 10.947 -8.680 6.317 1.00 0.00 H new ATOM 0 HA PHE A 615 13.889 -8.786 6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.731 -7.140 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.390 -6.578 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.003 -10.224 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 615 13.186 -6.489 2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.461 -11.438 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.637 -7.695 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.760 -10.180 0.431 1.00 0.00 H new ATOM 1716 N ASN A 616 14.196 -6.320 7.373 1.00 0.00 N ATOM 1717 CA ASN A 616 14.466 -5.205 8.273 1.00 0.00 C ATOM 1718 C ASN A 616 14.252 -3.950 7.444 1.00 0.00 C ATOM 1719 O ASN A 616 14.232 -4.056 6.216 1.00 0.00 O ATOM 1720 CB ASN A 616 15.914 -5.252 8.783 1.00 0.00 C ATOM 1721 CG ASN A 616 16.370 -6.584 9.380 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.582 -7.489 9.645 1.00 0.00 O ATOM 1723 ND2 ASN A 616 17.661 -6.752 9.593 1.00 0.00 N ATOM 0 H ASN A 616 14.814 -6.334 6.562 1.00 0.00 H new ATOM 0 HA ASN A 616 13.817 -5.237 9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.578 -5.001 7.956 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.038 -4.476 9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 616 18.004 -7.632 9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 616 18.316 -6.002 9.373 1.00 0.00 H new ATOM 1730 N LEU A 617 14.150 -2.767 8.060 1.00 0.00 N ATOM 1731 CA LEU A 617 13.967 -1.512 7.324 1.00 0.00 C ATOM 1732 C LEU A 617 15.051 -1.420 6.252 1.00 0.00 C ATOM 1733 O LEU A 617 14.735 -1.263 5.075 1.00 0.00 O ATOM 1734 CB LEU A 617 13.957 -0.267 8.256 1.00 0.00 C ATOM 1735 CG LEU A 617 13.269 0.968 7.619 1.00 0.00 C ATOM 1736 CD1 LEU A 617 13.922 1.320 6.311 1.00 0.00 C ATOM 1737 CD2 LEU A 617 11.741 0.816 7.577 1.00 0.00 C ATOM 0 H LEU A 617 14.191 -2.653 9.073 1.00 0.00 H new ATOM 0 HA LEU A 617 12.985 -1.518 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.446 -0.521 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.983 -0.009 8.517 1.00 0.00 H new ATOM 0 HG LEU A 617 13.422 1.837 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 617 13.426 2.189 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 617 14.974 1.550 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 617 13.840 0.477 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 617 11.299 1.703 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 617 11.479 -0.062 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 617 11.359 0.699 8.591 1.00 0.00 H new ATOM 1749 N GLU A 618 16.312 -1.559 6.654 1.00 0.00 N ATOM 1750 CA GLU A 618 17.483 -1.429 5.802 1.00 0.00 C ATOM 1751 C GLU A 618 17.318 -2.201 4.487 1.00 0.00 C ATOM 1752 O GLU A 618 17.602 -1.683 3.402 1.00 0.00 O ATOM 1753 CB GLU A 618 18.686 -1.964 6.593 1.00 0.00 C ATOM 1754 CG GLU A 618 19.997 -1.691 5.856 1.00 0.00 C ATOM 1755 CD GLU A 618 21.227 -2.038 6.686 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.184 -3.058 7.415 1.00 0.00 O ATOM 1757 OE2 GLU A 618 22.206 -1.253 6.582 1.00 0.00 O ATOM 0 H GLU A 618 16.552 -1.774 7.622 1.00 0.00 H new ATOM 0 HA GLU A 618 17.627 -0.383 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.715 -1.496 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.572 -3.036 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 618 20.015 -2.267 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 618 20.039 -0.638 5.577 1.00 0.00 H new ATOM 1764 N GLU A 619 16.866 -3.446 4.614 1.00 0.00 N ATOM 1765 CA GLU A 619 16.760 -4.447 3.566 1.00 0.00 C ATOM 1766 C GLU A 619 15.504 -4.237 2.737 1.00 0.00 C ATOM 1767 O GLU A 619 15.501 -4.477 1.528 1.00 0.00 O ATOM 1768 CB GLU A 619 16.691 -5.835 4.214 1.00 0.00 C ATOM 1769 CG GLU A 619 17.885 -6.027 5.176 1.00 0.00 C ATOM 1770 CD GLU A 619 18.202 -7.471 5.566 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.580 -8.421 5.033 1.00 0.00 O ATOM 1772 OE2 GLU A 619 19.072 -7.647 6.446 1.00 0.00 O ATOM 0 H GLU A 619 16.543 -3.802 5.514 1.00 0.00 H new ATOM 0 HA GLU A 619 17.630 -4.362 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.753 -5.945 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.706 -6.606 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.772 -5.592 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.689 -5.460 6.086 1.00 0.00 H new ATOM 1779 N ALA A 620 14.438 -3.805 3.401 1.00 0.00 N ATOM 1780 CA ALA A 620 13.164 -3.482 2.816 1.00 0.00 C ATOM 1781 C ALA A 620 13.324 -2.297 1.877 1.00 0.00 C ATOM 1782 O ALA A 620 12.927 -2.387 0.722 1.00 0.00 O ATOM 1783 CB ALA A 620 12.179 -3.189 3.949 1.00 0.00 C ATOM 0 H ALA A 620 14.451 -3.667 4.412 1.00 0.00 H new ATOM 0 HA ALA A 620 12.778 -4.313 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.204 -2.941 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 620 12.086 -4.068 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.544 -2.349 4.540 1.00 0.00 H new ATOM 1789 N ALA A 621 13.944 -1.218 2.357 1.00 0.00 N ATOM 1790 CA ALA A 621 14.245 -0.025 1.587 1.00 0.00 C ATOM 1791 C ALA A 621 15.135 -0.376 0.389 1.00 0.00 C ATOM 1792 O ALA A 621 14.828 0.033 -0.728 1.00 0.00 O ATOM 1793 CB ALA A 621 14.934 0.988 2.509 1.00 0.00 C ATOM 0 H ALA A 621 14.258 -1.155 3.325 1.00 0.00 H new ATOM 0 HA ALA A 621 13.326 0.411 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.168 1.892 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.270 1.237 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.855 0.556 2.900 1.00 0.00 H new ATOM 1799 N ARG A 622 16.206 -1.162 0.584 1.00 0.00 N ATOM 1800 CA ARG A 622 17.054 -1.633 -0.519 1.00 0.00 C ATOM 1801 C ARG A 622 16.211 -2.326 -1.579 1.00 0.00 C ATOM 1802 O ARG A 622 16.330 -2.013 -2.763 1.00 0.00 O ATOM 1803 CB ARG A 622 18.112 -2.614 -0.012 1.00 0.00 C ATOM 1804 CG ARG A 622 19.380 -1.929 0.505 1.00 0.00 C ATOM 1805 CD ARG A 622 20.048 -2.941 1.433 1.00 0.00 C ATOM 1806 NE ARG A 622 21.504 -2.803 1.582 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.306 -3.824 1.914 1.00 0.00 C ATOM 1808 NH1 ARG A 622 21.804 -5.032 2.153 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.617 -3.647 1.965 1.00 0.00 N ATOM 0 H ARG A 622 16.505 -1.486 1.504 1.00 0.00 H new ATOM 0 HA ARG A 622 17.547 -0.762 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.683 -3.218 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.380 -3.296 -0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.041 -1.657 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 622 19.139 -1.009 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.591 -2.860 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.832 -3.943 1.063 1.00 0.00 H new ATOM 0 HE ARG A 622 21.924 -1.887 1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 622 20.799 -5.189 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.424 -5.801 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 622 24.017 -2.733 1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.227 -4.424 2.218 1.00 0.00 H new ATOM 1823 N CYS A 623 15.383 -3.284 -1.162 1.00 0.00 N ATOM 1824 CA CYS A 623 14.549 -4.021 -2.092 1.00 0.00 C ATOM 1825 C CYS A 623 13.558 -3.086 -2.782 1.00 0.00 C ATOM 1826 O CYS A 623 13.345 -3.216 -3.980 1.00 0.00 O ATOM 1827 CB CYS A 623 13.830 -5.162 -1.370 1.00 0.00 C ATOM 1828 SG CYS A 623 13.475 -6.463 -2.584 1.00 0.00 S ATOM 0 H CYS A 623 15.277 -3.562 -0.186 1.00 0.00 H new ATOM 0 HA CYS A 623 15.183 -4.458 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.451 -5.553 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.906 -4.803 -0.916 1.00 0.00 H new ATOM 0 HG CYS A 623 13.682 -7.628 -2.045 1.00 0.00 H new ATOM 1834 N MET A 624 12.962 -2.144 -2.054 1.00 0.00 N ATOM 1835 CA MET A 624 12.020 -1.167 -2.582 1.00 0.00 C ATOM 1836 C MET A 624 12.653 -0.335 -3.693 1.00 0.00 C ATOM 1837 O MET A 624 12.025 -0.201 -4.736 1.00 0.00 O ATOM 1838 CB MET A 624 11.484 -0.304 -1.438 1.00 0.00 C ATOM 1839 CG MET A 624 10.431 -1.052 -0.608 1.00 0.00 C ATOM 1840 SD MET A 624 8.759 -0.993 -1.302 1.00 0.00 S ATOM 1841 CE MET A 624 8.374 0.745 -0.928 1.00 0.00 C ATOM 0 H MET A 624 13.128 -2.039 -1.053 1.00 0.00 H new ATOM 0 HA MET A 624 11.176 -1.687 -3.035 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.309 -0.002 -0.793 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.047 0.608 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.735 -2.094 -0.510 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.410 -0.630 0.397 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.295 0.894 -0.963 1.00 0.00 H new ATOM 0 HE2 MET A 624 8.742 0.993 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.854 1.390 -1.664 1.00 0.00 H new ATOM 1851 N ARG A 625 13.899 0.137 -3.554 1.00 0.00 N ATOM 1852 CA ARG A 625 14.644 0.790 -4.645 1.00 0.00 C ATOM 1853 C ARG A 625 14.744 -0.030 -5.945 1.00 0.00 C ATOM 1854 O ARG A 625 15.115 0.525 -6.980 1.00 0.00 O ATOM 1855 CB ARG A 625 16.051 1.190 -4.185 1.00 0.00 C ATOM 1856 CG ARG A 625 15.989 2.223 -3.061 1.00 0.00 C ATOM 1857 CD ARG A 625 17.386 2.589 -2.559 1.00 0.00 C ATOM 1858 NE ARG A 625 18.179 3.409 -3.489 1.00 0.00 N ATOM 1859 CZ ARG A 625 17.929 4.637 -3.958 1.00 0.00 C ATOM 1860 NH1 ARG A 625 16.744 5.225 -3.849 1.00 0.00 N ATOM 1861 NH2 ARG A 625 18.902 5.293 -4.555 1.00 0.00 N ATOM 0 H ARG A 625 14.422 0.078 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 625 14.054 1.674 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.590 0.307 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 625 16.610 1.597 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.483 3.120 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.396 1.829 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.289 3.126 -1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 625 17.934 1.670 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 625 19.042 2.980 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 625 15.973 4.738 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 625 16.604 6.163 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 625 19.822 4.864 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 625 18.736 6.231 -4.921 1.00 0.00 H new ATOM 1875 N SER A 626 14.427 -1.329 -5.947 1.00 0.00 N ATOM 1876 CA SER A 626 14.298 -2.114 -7.170 1.00 0.00 C ATOM 1877 C SER A 626 13.131 -1.613 -8.035 1.00 0.00 C ATOM 1878 O SER A 626 13.138 -1.832 -9.245 1.00 0.00 O ATOM 1879 CB SER A 626 14.092 -3.587 -6.787 1.00 0.00 C ATOM 1880 OG SER A 626 14.327 -4.479 -7.858 1.00 0.00 O ATOM 0 H SER A 626 14.253 -1.863 -5.096 1.00 0.00 H new ATOM 0 HA SER A 626 15.207 -2.007 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 626 14.758 -3.838 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 626 13.072 -3.723 -6.427 1.00 0.00 H new ATOM 0 HG SER A 626 14.182 -5.400 -7.555 1.00 0.00 H new ATOM 1886 N LEU A 627 12.116 -0.980 -7.437 1.00 0.00 N ATOM 1887 CA LEU A 627 10.868 -0.602 -8.084 1.00 0.00 C ATOM 1888 C LEU A 627 11.107 0.492 -9.109 1.00 0.00 C ATOM 1889 O LEU A 627 11.716 1.522 -8.827 1.00 0.00 O ATOM 1890 CB LEU A 627 9.851 -0.168 -7.008 1.00 0.00 C ATOM 1891 CG LEU A 627 8.501 0.323 -7.561 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.668 -0.813 -8.161 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.688 1.019 -6.466 1.00 0.00 C ATOM 0 H LEU A 627 12.148 -0.710 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 627 10.458 -1.457 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 627 9.670 -1.009 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.294 0.627 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 627 8.732 1.030 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.726 -0.414 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.219 -1.275 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.465 -1.560 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.738 1.358 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.501 0.319 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.246 1.876 -6.088 1.00 0.00 H new ATOM 1905 N LYS A 628 10.572 0.276 -10.303 1.00 0.00 N ATOM 1906 CA LYS A 628 10.776 1.108 -11.481 1.00 0.00 C ATOM 1907 C LYS A 628 9.603 2.062 -11.712 1.00 0.00 C ATOM 1908 O LYS A 628 9.515 2.667 -12.780 1.00 0.00 O ATOM 1909 CB LYS A 628 11.037 0.150 -12.654 1.00 0.00 C ATOM 1910 CG LYS A 628 12.260 -0.761 -12.405 1.00 0.00 C ATOM 1911 CD LYS A 628 13.604 -0.035 -12.618 1.00 0.00 C ATOM 1912 CE LYS A 628 14.164 0.591 -11.327 1.00 0.00 C ATOM 1913 NZ LYS A 628 15.298 1.507 -11.593 1.00 0.00 N ATOM 0 H LYS A 628 9.958 -0.518 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 628 11.632 1.771 -11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.154 -0.468 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.197 0.728 -13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.218 -1.146 -11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.208 -1.621 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.332 -0.741 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.473 0.746 -13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.371 1.137 -10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 628 14.490 -0.201 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 15.642 1.904 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 16.067 0.982 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 14.982 2.279 -12.214 1.00 0.00 H new ATOM 1927 N ALA A 629 8.728 2.208 -10.716 1.00 0.00 N ATOM 1928 CA ALA A 629 7.539 3.045 -10.711 1.00 0.00 C ATOM 1929 C ALA A 629 7.556 3.956 -9.473 1.00 0.00 C ATOM 1930 O ALA A 629 8.338 3.704 -8.547 1.00 0.00 O ATOM 1931 CB ALA A 629 6.305 2.133 -10.727 1.00 0.00 C ATOM 0 H ALA A 629 8.844 1.709 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 629 7.512 3.687 -11.591 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.402 2.743 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.322 1.514 -11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.314 1.493 -9.845 1.00 0.00 H new ATOM 1937 N PRO A 630 6.744 5.026 -9.428 1.00 0.00 N ATOM 1938 CA PRO A 630 6.614 5.867 -8.245 1.00 0.00 C ATOM 1939 C PRO A 630 5.959 5.117 -7.087 1.00 0.00 C ATOM 1940 O PRO A 630 5.175 4.192 -7.290 1.00 0.00 O ATOM 1941 CB PRO A 630 5.748 7.060 -8.663 1.00 0.00 C ATOM 1942 CG PRO A 630 5.614 6.966 -10.183 1.00 0.00 C ATOM 1943 CD PRO A 630 5.878 5.501 -10.495 1.00 0.00 C ATOM 0 HA PRO A 630 7.596 6.181 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.771 7.022 -8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.212 8.002 -8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.621 7.270 -10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 630 6.331 7.615 -10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 630 4.948 4.933 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.356 5.387 -11.468 1.00 0.00 H new ATOM 1951 N ALA A 631 6.224 5.564 -5.860 1.00 0.00 N ATOM 1952 CA ALA A 631 5.651 4.987 -4.660 1.00 0.00 C ATOM 1953 C ALA A 631 5.697 6.021 -3.546 1.00 0.00 C ATOM 1954 O ALA A 631 6.786 6.430 -3.139 1.00 0.00 O ATOM 1955 CB ALA A 631 6.457 3.744 -4.274 1.00 0.00 C ATOM 0 H ALA A 631 6.851 6.347 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 631 4.614 4.697 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 631 6.034 3.302 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.418 3.018 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.494 4.026 -4.088 1.00 0.00 H new ATOM 1961 N VAL A 632 4.542 6.444 -3.041 1.00 0.00 N ATOM 1962 CA VAL A 632 4.486 6.973 -1.683 1.00 0.00 C ATOM 1963 C VAL A 632 4.742 5.782 -0.757 1.00 0.00 C ATOM 1964 O VAL A 632 4.158 4.707 -0.943 1.00 0.00 O ATOM 1965 CB VAL A 632 3.135 7.657 -1.400 1.00 0.00 C ATOM 1966 CG1 VAL A 632 2.955 8.058 0.073 1.00 0.00 C ATOM 1967 CG2 VAL A 632 2.969 8.930 -2.229 1.00 0.00 C ATOM 0 H VAL A 632 3.651 6.432 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 632 5.234 7.750 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 632 2.387 6.910 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 632 1.983 8.534 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.011 7.169 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.742 8.755 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.005 9.387 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.768 9.630 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.015 8.682 -3.289 1.00 0.00 H new ATOM 1977 N VAL A 633 5.595 5.987 0.242 1.00 0.00 N ATOM 1978 CA VAL A 633 5.833 5.050 1.329 1.00 0.00 C ATOM 1979 C VAL A 633 5.354 5.744 2.602 1.00 0.00 C ATOM 1980 O VAL A 633 5.455 6.964 2.702 1.00 0.00 O ATOM 1981 CB VAL A 633 7.321 4.646 1.361 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.596 3.629 2.480 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.718 3.994 0.029 1.00 0.00 C ATOM 0 H VAL A 633 6.155 6.836 0.317 1.00 0.00 H new ATOM 0 HA VAL A 633 5.288 4.114 1.209 1.00 0.00 H new ATOM 0 HB VAL A 633 7.901 5.552 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.653 3.363 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.334 4.068 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 633 6.996 2.734 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.770 3.712 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.109 3.105 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.557 4.701 -0.785 1.00 0.00 H new ATOM 1993 N SER A 634 4.830 5.008 3.577 1.00 0.00 N ATOM 1994 CA SER A 634 4.230 5.630 4.746 1.00 0.00 C ATOM 1995 C SER A 634 4.453 4.781 5.985 1.00 0.00 C ATOM 1996 O SER A 634 3.654 3.883 6.275 1.00 0.00 O ATOM 1997 CB SER A 634 2.756 5.877 4.460 1.00 0.00 C ATOM 1998 OG SER A 634 2.220 6.618 5.524 1.00 0.00 O ATOM 0 H SER A 634 4.810 3.988 3.579 1.00 0.00 H new ATOM 0 HA SER A 634 4.706 6.589 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.637 6.419 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.226 4.931 4.351 1.00 0.00 H new ATOM 0 HG SER A 634 2.944 7.074 6.002 1.00 0.00 H new ATOM 2004 N VAL A 635 5.564 4.998 6.683 1.00 0.00 N ATOM 2005 CA VAL A 635 5.926 4.237 7.879 1.00 0.00 C ATOM 2006 C VAL A 635 4.998 4.609 9.031 1.00 0.00 C ATOM 2007 O VAL A 635 4.391 5.681 9.031 1.00 0.00 O ATOM 2008 CB VAL A 635 7.408 4.453 8.229 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.310 3.616 7.315 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.823 5.922 8.132 1.00 0.00 C ATOM 0 H VAL A 635 6.246 5.714 6.433 1.00 0.00 H new ATOM 0 HA VAL A 635 5.799 3.172 7.684 1.00 0.00 H new ATOM 0 HB VAL A 635 7.529 4.133 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.354 3.784 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.071 2.560 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.148 3.908 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.878 6.020 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.663 6.279 7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.225 6.516 8.823 1.00 0.00 H new ATOM 2020 N SER A 636 4.881 3.719 10.019 1.00 0.00 N ATOM 2021 CA SER A 636 4.018 3.982 11.159 1.00 0.00 C ATOM 2022 C SER A 636 4.613 5.019 12.109 1.00 0.00 C ATOM 2023 O SER A 636 3.879 5.632 12.890 1.00 0.00 O ATOM 2024 CB SER A 636 3.659 2.660 11.842 1.00 0.00 C ATOM 2025 OG SER A 636 4.736 1.973 12.460 1.00 0.00 O ATOM 0 H SER A 636 5.368 2.823 10.048 1.00 0.00 H new ATOM 0 HA SER A 636 3.091 4.435 10.807 1.00 0.00 H new ATOM 0 HB2 SER A 636 2.898 2.857 12.597 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.209 2.000 11.100 1.00 0.00 H new ATOM 0 HG SER A 636 4.405 1.145 12.868 1.00 0.00 H new ATOM 2031 N SER A 637 5.929 5.228 12.065 1.00 0.00 N ATOM 2032 CA SER A 637 6.645 6.008 13.060 1.00 0.00 C ATOM 2033 C SER A 637 7.386 7.160 12.385 1.00 0.00 C ATOM 2034 O SER A 637 7.929 6.981 11.294 1.00 0.00 O ATOM 2035 CB SER A 637 7.615 5.102 13.807 1.00 0.00 C ATOM 2036 OG SER A 637 6.955 3.933 14.291 1.00 0.00 O ATOM 0 H SER A 637 6.528 4.855 11.329 1.00 0.00 H new ATOM 0 HA SER A 637 5.939 6.431 13.774 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.432 4.815 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 637 8.057 5.646 14.642 1.00 0.00 H new ATOM 0 HG SER A 637 7.599 3.367 14.765 1.00 0.00 H new ATOM 2042 N PRO A 638 7.433 8.346 13.003 1.00 0.00 N ATOM 2043 CA PRO A 638 8.034 9.509 12.381 1.00 0.00 C ATOM 2044 C PRO A 638 9.568 9.375 12.311 1.00 0.00 C ATOM 2045 O PRO A 638 10.156 9.759 11.302 1.00 0.00 O ATOM 2046 CB PRO A 638 7.528 10.698 13.197 1.00 0.00 C ATOM 2047 CG PRO A 638 7.244 10.116 14.580 1.00 0.00 C ATOM 2048 CD PRO A 638 6.867 8.663 14.302 1.00 0.00 C ATOM 0 HA PRO A 638 7.750 9.636 11.336 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.273 11.492 13.245 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.630 11.130 12.755 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.118 10.184 15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.435 10.649 15.079 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.264 8.002 15.073 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.785 8.534 14.298 1.00 0.00 H new ATOM 2056 N ASP A 639 10.232 8.755 13.297 1.00 0.00 N ATOM 2057 CA ASP A 639 11.701 8.561 13.325 1.00 0.00 C ATOM 2058 C ASP A 639 12.198 7.762 12.115 1.00 0.00 C ATOM 2059 O ASP A 639 13.332 7.872 11.651 1.00 0.00 O ATOM 2060 CB ASP A 639 12.106 7.800 14.606 1.00 0.00 C ATOM 2061 CG ASP A 639 13.283 8.455 15.320 1.00 0.00 C ATOM 2062 OD1 ASP A 639 13.107 9.615 15.755 1.00 0.00 O ATOM 2063 OD2 ASP A 639 14.348 7.812 15.487 1.00 0.00 O ATOM 0 H ASP A 639 9.762 8.365 14.114 1.00 0.00 H new ATOM 0 HA ASP A 639 12.155 9.552 13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.253 7.753 15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 639 12.366 6.773 14.349 1.00 0.00 H new ATOM 2068 N ALA A 640 11.290 6.964 11.575 1.00 0.00 N ATOM 2069 CA ALA A 640 11.474 6.041 10.483 1.00 0.00 C ATOM 2070 C ALA A 640 11.301 6.774 9.149 1.00 0.00 C ATOM 2071 O ALA A 640 11.933 6.382 8.175 1.00 0.00 O ATOM 2072 CB ALA A 640 10.505 4.865 10.672 1.00 0.00 C ATOM 0 H ALA A 640 10.331 6.950 11.922 1.00 0.00 H new ATOM 0 HA ALA A 640 12.484 5.632 10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.630 4.155 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.716 4.368 11.619 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.480 5.235 10.677 1.00 0.00 H new ATOM 2078 N VAL A 641 10.549 7.884 9.094 1.00 0.00 N ATOM 2079 CA VAL A 641 10.501 8.784 7.932 1.00 0.00 C ATOM 2080 C VAL A 641 11.884 9.411 7.709 1.00 0.00 C ATOM 2081 O VAL A 641 12.175 9.914 6.622 1.00 0.00 O ATOM 2082 CB VAL A 641 9.428 9.884 8.128 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.238 10.780 6.892 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.050 9.297 8.442 1.00 0.00 C ATOM 0 H VAL A 641 9.951 8.185 9.863 1.00 0.00 H new ATOM 0 HA VAL A 641 10.225 8.205 7.050 1.00 0.00 H new ATOM 0 HB VAL A 641 9.809 10.473 8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 641 8.472 11.528 7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.178 11.279 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 641 8.929 10.169 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.331 10.106 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 641 7.732 8.656 7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.105 8.710 9.359 1.00 0.00 H new ATOM 2094 N THR A 642 12.743 9.389 8.723 1.00 0.00 N ATOM 2095 CA THR A 642 14.090 9.900 8.658 1.00 0.00 C ATOM 2096 C THR A 642 15.052 8.762 8.296 1.00 0.00 C ATOM 2097 O THR A 642 15.839 8.931 7.361 1.00 0.00 O ATOM 2098 CB THR A 642 14.369 10.572 10.007 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.430 11.612 10.209 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.770 11.188 10.058 1.00 0.00 C ATOM 0 H THR A 642 12.505 9.002 9.636 1.00 0.00 H new ATOM 0 HA THR A 642 14.231 10.646 7.876 1.00 0.00 H new ATOM 0 HB THR A 642 14.293 9.806 10.779 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.602 12.045 11.071 1.00 0.00 H new ATOM 0 HG21 THR A 642 15.927 11.654 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.516 10.408 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 642 15.865 11.941 9.275 1.00 0.00 H new ATOM 2108 N THR A 643 14.993 7.602 8.969 1.00 0.00 N ATOM 2109 CA THR A 643 15.896 6.488 8.658 1.00 0.00 C ATOM 2110 C THR A 643 15.707 6.027 7.218 1.00 0.00 C ATOM 2111 O THR A 643 16.669 5.852 6.477 1.00 0.00 O ATOM 2112 CB THR A 643 15.673 5.267 9.573 1.00 0.00 C ATOM 2113 OG1 THR A 643 14.989 5.598 10.768 1.00 0.00 O ATOM 2114 CG2 THR A 643 17.018 4.654 9.948 1.00 0.00 C ATOM 0 H THR A 643 14.335 7.414 9.725 1.00 0.00 H new ATOM 0 HA THR A 643 16.904 6.870 8.817 1.00 0.00 H new ATOM 0 HB THR A 643 15.059 4.562 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.871 4.791 11.312 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.857 3.791 10.595 1.00 0.00 H new ATOM 0 HG22 THR A 643 17.538 4.338 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.621 5.394 10.474 1.00 0.00 H new ATOM 2122 N TYR A 644 14.448 5.813 6.838 1.00 0.00 N ATOM 2123 CA TYR A 644 14.082 5.208 5.578 1.00 0.00 C ATOM 2124 C TYR A 644 14.626 6.044 4.409 1.00 0.00 C ATOM 2125 O TYR A 644 15.298 5.517 3.526 1.00 0.00 O ATOM 2126 CB TYR A 644 12.562 4.975 5.591 1.00 0.00 C ATOM 2127 CG TYR A 644 12.022 4.187 4.428 1.00 0.00 C ATOM 2128 CD1 TYR A 644 11.776 4.783 3.181 1.00 0.00 C ATOM 2129 CD2 TYR A 644 11.783 2.823 4.615 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.378 3.987 2.096 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.450 2.006 3.522 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.267 2.587 2.247 1.00 0.00 C ATOM 2133 OH TYR A 644 10.970 1.808 1.174 1.00 0.00 O ATOM 0 H TYR A 644 13.645 6.064 7.415 1.00 0.00 H new ATOM 0 HA TYR A 644 14.541 4.230 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.298 4.457 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.063 5.944 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 644 11.893 5.850 3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 644 11.855 2.395 5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.156 4.446 1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.335 0.940 3.655 1.00 0.00 H new ATOM 0 HH TYR A 644 11.733 1.793 0.560 1.00 0.00 H new ATOM 2143 N ASN A 645 14.435 7.364 4.470 1.00 0.00 N ATOM 2144 CA ASN A 645 14.955 8.371 3.543 1.00 0.00 C ATOM 2145 C ASN A 645 16.474 8.291 3.470 1.00 0.00 C ATOM 2146 O ASN A 645 17.060 8.386 2.389 1.00 0.00 O ATOM 2147 CB ASN A 645 14.547 9.776 4.037 1.00 0.00 C ATOM 2148 CG ASN A 645 13.488 10.427 3.164 1.00 0.00 C ATOM 2149 OD1 ASN A 645 13.691 10.661 1.976 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.325 10.726 3.710 1.00 0.00 N ATOM 0 H ASN A 645 13.878 7.784 5.215 1.00 0.00 H new ATOM 0 HA ASN A 645 14.541 8.185 2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.173 9.702 5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.429 10.415 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.591 11.153 3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.160 10.530 4.697 1.00 0.00 H new ATOM 2157 N GLY A 646 17.098 8.085 4.628 1.00 0.00 N ATOM 2158 CA GLY A 646 18.510 7.826 4.772 1.00 0.00 C ATOM 2159 C GLY A 646 18.940 6.682 3.863 1.00 0.00 C ATOM 2160 O GLY A 646 19.800 6.875 3.003 1.00 0.00 O ATOM 0 H GLY A 646 16.605 8.097 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.077 8.724 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.736 7.578 5.809 1.00 0.00 H new ATOM 2164 N TYR A 647 18.304 5.516 3.972 1.00 0.00 N ATOM 2165 CA TYR A 647 18.678 4.346 3.183 1.00 0.00 C ATOM 2166 C TYR A 647 18.509 4.592 1.684 1.00 0.00 C ATOM 2167 O TYR A 647 19.244 4.001 0.891 1.00 0.00 O ATOM 2168 CB TYR A 647 17.852 3.124 3.599 1.00 0.00 C ATOM 2169 CG TYR A 647 18.049 2.681 5.035 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.325 2.335 5.521 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.947 2.627 5.903 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.481 1.931 6.859 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.102 2.282 7.249 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.374 1.921 7.740 1.00 0.00 C ATOM 2175 OH TYR A 647 18.524 1.580 9.048 1.00 0.00 O ATOM 0 H TYR A 647 17.520 5.358 4.606 1.00 0.00 H new ATOM 0 HA TYR A 647 19.733 4.154 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 647 16.796 3.347 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.102 2.293 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.183 2.380 4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 647 15.962 2.856 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.453 1.626 7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.249 2.292 7.912 1.00 0.00 H new ATOM 0 HH TYR A 647 17.656 1.630 9.501 1.00 0.00 H new ATOM 2185 N LEU A 648 17.565 5.456 1.294 1.00 0.00 N ATOM 2186 CA LEU A 648 17.310 5.818 -0.103 1.00 0.00 C ATOM 2187 C LEU A 648 18.308 6.857 -0.621 1.00 0.00 C ATOM 2188 O LEU A 648 18.366 7.131 -1.817 1.00 0.00 O ATOM 2189 CB LEU A 648 15.897 6.388 -0.261 1.00 0.00 C ATOM 2190 CG LEU A 648 14.715 5.518 0.212 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.480 5.790 -0.647 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.925 3.999 0.183 1.00 0.00 C ATOM 0 H LEU A 648 16.947 5.931 1.952 1.00 0.00 H new ATOM 0 HA LEU A 648 17.420 4.903 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 648 15.855 7.334 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 648 15.744 6.617 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 648 14.603 5.810 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.653 5.169 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.204 6.841 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 648 13.702 5.554 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.023 3.500 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.138 3.681 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.764 3.735 0.828 1.00 0.00 H new ATOM 2204 N THR A 649 19.060 7.483 0.274 1.00 0.00 N ATOM 2205 CA THR A 649 20.180 8.355 -0.063 1.00 0.00 C ATOM 2206 C THR A 649 21.468 7.526 -0.142 1.00 0.00 C ATOM 2207 O THR A 649 22.319 7.783 -0.988 1.00 0.00 O ATOM 2208 CB THR A 649 20.268 9.464 0.999 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.989 10.056 1.169 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.269 10.557 0.623 1.00 0.00 C ATOM 0 H THR A 649 18.906 7.397 1.279 1.00 0.00 H new ATOM 0 HA THR A 649 20.035 8.822 -1.037 1.00 0.00 H new ATOM 0 HB THR A 649 20.611 8.999 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.423 9.463 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 649 21.292 11.315 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 649 22.261 10.119 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.969 11.017 -0.318 1.00 0.00 H new