USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1016 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 624 MET CE :methyl -155:sc= -1.09 (180deg=-2!) USER MOD Set 1.2: A 644 TYR OH : rot 60:sc= 0 USER MOD Set 2.1: A 605 THR OG1 : rot 121:sc= 1.18 USER MOD Set 2.2: A 606 MET CE :methyl -166:sc= -0.601 (180deg=-1.09) USER MOD Set 3.1: A 550 CYS SG : rot 41:sc= 0.0138 USER MOD Set 3.2: A 585 SER OG : rot 83:sc= 0.357 USER MOD Set 3.3: A 612 THR OG1 : rot 29:sc= 1.22 USER MOD Set 3.4: A 613 HIS : +bothHN:sc= 0.117 K(o=1.7,f=-4!) USER MOD Set 4.1: A 536 MET CE :methyl -110:sc= -0.767 (180deg=-1.06) USER MOD Set 4.2: A 547 MET CE :methyl 175:sc= -0.324 (180deg=-0.541) USER MOD Single : A 528 THR OG1 : rot -147:sc= 0.22 USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 532 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.14) USER MOD Single : A 539 HIS : no HD1:sc=-0.00722 X(o=-0.0072,f=-0.082) USER MOD Single : A 543 THR OG1 : rot -61:sc= 1.21 USER MOD Single : A 545 LYS NZ :NH3+ 158:sc= -0.112 (180deg=-0.835) USER MOD Single : A 551 MET CE :methyl 177:sc= -0.0383 (180deg=-0.0972) USER MOD Single : A 557 MET CE :methyl -177:sc= -4.56! (180deg=-4.59!) USER MOD Single : A 559 THR OG1 : rot 90:sc= 0.166 USER MOD Single : A 561 GLN : amide:sc= -1 X(o=-1,f=-0.89) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 100:sc= -0.078 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -2.13 F(o=-6.8!,f=-2.1) USER MOD Single : A 576 TYR OH : rot -17:sc= 0.0479 USER MOD Single : A 583 TYR OH : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot 29:sc= 1.27 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0301) USER MOD Single : A 597 ASN : amide:sc= -1.97 K(o=-2,f=-4.4!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 623 CYS SG : rot -170:sc= -0.0766 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 -82:sc= 0.442 USER MOD Single : A 636 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 645 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 73:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.085 15.878 -7.363 1.00 0.00 N ATOM 215 CA GLU A 524 0.091 14.705 -6.524 1.00 0.00 C ATOM 216 C GLU A 524 1.419 14.776 -5.796 1.00 0.00 C ATOM 217 O GLU A 524 2.321 15.527 -6.179 1.00 0.00 O ATOM 218 CB GLU A 524 -0.118 13.411 -7.336 1.00 0.00 C ATOM 219 CG GLU A 524 1.077 12.908 -8.169 1.00 0.00 C ATOM 220 CD GLU A 524 1.609 13.869 -9.239 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.829 14.386 -10.067 1.00 0.00 O ATOM 222 OE2 GLU A 524 2.844 14.068 -9.324 1.00 0.00 O ATOM 0 HA GLU A 524 -0.677 14.686 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -0.406 12.619 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.960 13.566 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.893 12.669 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 524 0.787 11.978 -8.658 1.00 0.00 H new ATOM 229 N ILE A 525 1.500 14.026 -4.706 1.00 0.00 N ATOM 230 CA ILE A 525 2.613 14.011 -3.788 1.00 0.00 C ATOM 231 C ILE A 525 3.382 12.728 -4.057 1.00 0.00 C ATOM 232 O ILE A 525 2.852 11.758 -4.614 1.00 0.00 O ATOM 233 CB ILE A 525 2.114 14.139 -2.328 1.00 0.00 C ATOM 234 CG1 ILE A 525 1.098 15.293 -2.183 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.242 14.400 -1.321 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.330 14.796 -2.317 1.00 0.00 C ATOM 0 H ILE A 525 0.755 13.386 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 525 3.279 14.862 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 525 1.653 13.177 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 525 1.228 15.774 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 525 1.294 16.050 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.823 14.479 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.956 13.577 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.750 15.330 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -1.019 15.634 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.465 14.338 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -0.533 14.058 -1.541 1.00 0.00 H new ATOM 248 N LEU A 526 4.630 12.742 -3.639 1.00 0.00 N ATOM 249 CA LEU A 526 5.578 11.643 -3.735 1.00 0.00 C ATOM 250 C LEU A 526 6.453 11.643 -2.488 1.00 0.00 C ATOM 251 O LEU A 526 6.225 12.414 -1.556 1.00 0.00 O ATOM 252 CB LEU A 526 6.412 11.737 -5.034 1.00 0.00 C ATOM 253 CG LEU A 526 6.386 10.455 -5.891 1.00 0.00 C ATOM 254 CD1 LEU A 526 6.886 9.193 -5.178 1.00 0.00 C ATOM 255 CD2 LEU A 526 4.982 10.186 -6.440 1.00 0.00 C ATOM 0 H LEU A 526 5.037 13.566 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 526 5.042 10.695 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 526 6.041 12.569 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.445 11.967 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 526 7.087 10.660 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 526 6.830 8.344 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 526 7.919 9.338 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 526 6.264 8.998 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 526 4.994 9.276 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 526 4.284 10.065 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 526 4.667 11.025 -7.060 1.00 0.00 H new ATOM 267 N GLY A 527 7.458 10.777 -2.483 1.00 0.00 N ATOM 268 CA GLY A 527 8.420 10.679 -1.415 1.00 0.00 C ATOM 269 C GLY A 527 7.883 9.850 -0.258 1.00 0.00 C ATOM 270 O GLY A 527 6.754 9.343 -0.252 1.00 0.00 O ATOM 0 H GLY A 527 7.623 10.114 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.339 10.229 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.676 11.678 -1.061 1.00 0.00 H new ATOM 274 N THR A 528 8.746 9.684 0.729 1.00 0.00 N ATOM 275 CA THR A 528 8.460 8.991 1.956 1.00 0.00 C ATOM 276 C THR A 528 7.718 9.961 2.886 1.00 0.00 C ATOM 277 O THR A 528 8.117 11.117 3.044 1.00 0.00 O ATOM 278 CB THR A 528 9.798 8.514 2.535 1.00 0.00 C ATOM 279 OG1 THR A 528 10.650 7.950 1.555 1.00 0.00 O ATOM 280 CG2 THR A 528 9.584 7.458 3.606 1.00 0.00 C ATOM 0 H THR A 528 9.699 10.045 0.688 1.00 0.00 H new ATOM 0 HA THR A 528 7.822 8.119 1.815 1.00 0.00 H new ATOM 0 HB THR A 528 10.267 9.406 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 528 11.187 7.237 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.549 7.138 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.984 7.876 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 528 9.066 6.602 3.174 1.00 0.00 H new ATOM 288 N VAL A 529 6.652 9.483 3.512 1.00 0.00 N ATOM 289 CA VAL A 529 5.769 10.199 4.425 1.00 0.00 C ATOM 290 C VAL A 529 5.681 9.388 5.728 1.00 0.00 C ATOM 291 O VAL A 529 6.335 8.353 5.859 1.00 0.00 O ATOM 292 CB VAL A 529 4.404 10.425 3.728 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.533 11.400 2.548 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.757 9.132 3.209 1.00 0.00 C ATOM 0 H VAL A 529 6.359 8.514 3.387 1.00 0.00 H new ATOM 0 HA VAL A 529 6.146 11.188 4.684 1.00 0.00 H new ATOM 0 HB VAL A 529 3.761 10.842 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.558 11.537 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.901 12.361 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.232 10.995 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.805 9.367 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.419 8.660 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.588 8.450 4.042 1.00 0.00 H new ATOM 304 N SER A 530 4.878 9.802 6.705 1.00 0.00 N ATOM 305 CA SER A 530 4.571 8.985 7.884 1.00 0.00 C ATOM 306 C SER A 530 3.055 8.871 8.032 1.00 0.00 C ATOM 307 O SER A 530 2.498 8.994 9.124 1.00 0.00 O ATOM 308 CB SER A 530 5.316 9.506 9.120 1.00 0.00 C ATOM 309 OG SER A 530 5.342 10.924 9.179 1.00 0.00 O ATOM 0 H SER A 530 4.420 10.713 6.705 1.00 0.00 H new ATOM 0 HA SER A 530 4.940 7.967 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.839 9.116 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.338 9.127 9.111 1.00 0.00 H new ATOM 0 HG SER A 530 5.825 11.209 9.983 1.00 0.00 H new ATOM 315 N TRP A 531 2.384 8.671 6.899 1.00 0.00 N ATOM 316 CA TRP A 531 0.965 8.386 6.850 1.00 0.00 C ATOM 317 C TRP A 531 0.703 7.032 7.502 1.00 0.00 C ATOM 318 O TRP A 531 1.607 6.304 7.928 1.00 0.00 O ATOM 319 CB TRP A 531 0.476 8.397 5.396 1.00 0.00 C ATOM 320 CG TRP A 531 0.538 9.690 4.653 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.872 10.900 5.150 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.254 9.907 3.247 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.919 11.832 4.131 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.567 11.260 2.925 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.204 9.070 2.209 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.492 11.746 1.614 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.287 9.555 0.892 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.068 10.884 0.590 1.00 0.00 C ATOM 0 H TRP A 531 2.824 8.705 5.980 1.00 0.00 H new ATOM 0 HA TRP A 531 0.416 9.153 7.396 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.059 7.663 4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.559 8.055 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.073 11.109 6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.179 12.811 4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.492 8.052 2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.757 12.770 1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.627 8.901 0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.014 11.240 -0.428 1.00 0.00 H new ATOM 339 N ASN A 532 -0.571 6.687 7.596 1.00 0.00 N ATOM 340 CA ASN A 532 -1.025 5.432 8.159 1.00 0.00 C ATOM 341 C ASN A 532 -2.207 4.996 7.318 1.00 0.00 C ATOM 342 O ASN A 532 -2.748 5.815 6.572 1.00 0.00 O ATOM 343 CB ASN A 532 -1.422 5.628 9.628 1.00 0.00 C ATOM 344 CG ASN A 532 -0.233 6.085 10.464 1.00 0.00 C ATOM 345 OD1 ASN A 532 0.450 5.265 11.067 1.00 0.00 O ATOM 346 ND2 ASN A 532 0.038 7.377 10.531 1.00 0.00 N ATOM 0 H ASN A 532 -1.332 7.286 7.276 1.00 0.00 H new ATOM 0 HA ASN A 532 -0.244 4.672 8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.222 6.365 9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.814 4.694 10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 532 0.825 7.705 11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.540 8.046 10.023 1.00 0.00 H new ATOM 353 N LEU A 533 -2.638 3.745 7.470 1.00 0.00 N ATOM 354 CA LEU A 533 -3.649 3.089 6.645 1.00 0.00 C ATOM 355 C LEU A 533 -4.843 4.001 6.320 1.00 0.00 C ATOM 356 O LEU A 533 -5.286 4.013 5.180 1.00 0.00 O ATOM 357 CB LEU A 533 -4.090 1.803 7.368 1.00 0.00 C ATOM 358 CG LEU A 533 -5.070 0.911 6.581 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.440 0.336 5.307 1.00 0.00 C ATOM 360 CD2 LEU A 533 -5.517 -0.252 7.468 1.00 0.00 C ATOM 0 H LEU A 533 -2.276 3.135 8.203 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.212 2.845 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.202 1.217 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -4.555 2.079 8.315 1.00 0.00 H new ATOM 0 HG LEU A 533 -5.915 1.535 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -5.170 -0.285 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -4.129 1.152 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -3.572 -0.268 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -6.210 -0.886 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -4.647 -0.838 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -6.012 0.138 8.357 1.00 0.00 H new ATOM 372 N ARG A 534 -5.326 4.785 7.292 1.00 0.00 N ATOM 373 CA ARG A 534 -6.403 5.761 7.111 1.00 0.00 C ATOM 374 C ARG A 534 -6.089 6.822 6.047 1.00 0.00 C ATOM 375 O ARG A 534 -6.897 7.045 5.146 1.00 0.00 O ATOM 376 CB ARG A 534 -6.748 6.458 8.442 1.00 0.00 C ATOM 377 CG ARG A 534 -7.438 5.568 9.491 1.00 0.00 C ATOM 378 CD ARG A 534 -6.497 4.802 10.431 1.00 0.00 C ATOM 379 NE ARG A 534 -5.679 5.721 11.243 1.00 0.00 N ATOM 380 CZ ARG A 534 -5.524 5.732 12.572 1.00 0.00 C ATOM 381 NH1 ARG A 534 -6.060 4.807 13.359 1.00 0.00 N ATOM 382 NH2 ARG A 534 -4.808 6.700 13.125 1.00 0.00 N ATOM 0 H ARG A 534 -4.969 4.756 8.247 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.261 5.189 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -5.829 6.855 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.395 7.310 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.097 6.192 10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.070 4.847 8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.082 4.158 11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -5.845 4.153 9.846 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.168 6.438 10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.614 4.052 12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -5.918 4.851 14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -4.386 7.420 12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -4.679 6.725 14.137 1.00 0.00 H new ATOM 396 N GLU A 535 -4.961 7.522 6.165 1.00 0.00 N ATOM 397 CA GLU A 535 -4.586 8.579 5.222 1.00 0.00 C ATOM 398 C GLU A 535 -4.235 7.956 3.863 1.00 0.00 C ATOM 399 O GLU A 535 -4.440 8.546 2.806 1.00 0.00 O ATOM 400 CB GLU A 535 -3.388 9.397 5.739 1.00 0.00 C ATOM 401 CG GLU A 535 -3.405 9.697 7.246 1.00 0.00 C ATOM 402 CD GLU A 535 -2.464 10.819 7.688 1.00 0.00 C ATOM 403 OE1 GLU A 535 -1.716 11.394 6.872 1.00 0.00 O ATOM 404 OE2 GLU A 535 -2.416 11.145 8.896 1.00 0.00 O ATOM 0 H GLU A 535 -4.283 7.375 6.913 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.436 9.253 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.471 8.858 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -3.352 10.342 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -4.422 9.959 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -3.142 8.788 7.786 1.00 0.00 H new ATOM 411 N MET A 536 -3.690 6.740 3.890 1.00 0.00 N ATOM 412 CA MET A 536 -3.248 5.997 2.728 1.00 0.00 C ATOM 413 C MET A 536 -4.442 5.619 1.846 1.00 0.00 C ATOM 414 O MET A 536 -4.433 5.999 0.676 1.00 0.00 O ATOM 415 CB MET A 536 -2.443 4.792 3.209 1.00 0.00 C ATOM 416 CG MET A 536 -1.161 5.215 3.942 1.00 0.00 C ATOM 417 SD MET A 536 0.261 5.539 2.888 1.00 0.00 S ATOM 418 CE MET A 536 0.640 3.844 2.433 1.00 0.00 C ATOM 0 H MET A 536 -3.542 6.232 4.762 1.00 0.00 H new ATOM 0 HA MET A 536 -2.599 6.606 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.058 4.186 3.874 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.183 4.165 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.374 6.113 4.522 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.894 4.433 4.653 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.571 3.538 2.911 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.168 3.190 2.761 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.748 3.773 1.351 1.00 0.00 H new ATOM 428 N LEU A 537 -5.474 4.951 2.392 1.00 0.00 N ATOM 429 CA LEU A 537 -6.814 4.838 1.853 1.00 0.00 C ATOM 430 C LEU A 537 -7.275 6.141 1.204 1.00 0.00 C ATOM 431 O LEU A 537 -7.613 6.148 0.020 1.00 0.00 O ATOM 432 CB LEU A 537 -7.727 4.488 3.042 1.00 0.00 C ATOM 433 CG LEU A 537 -8.013 3.000 3.231 1.00 0.00 C ATOM 434 CD1 LEU A 537 -6.916 1.949 3.172 1.00 0.00 C ATOM 435 CD2 LEU A 537 -8.785 2.806 4.544 1.00 0.00 C ATOM 0 H LEU A 537 -5.374 4.450 3.275 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.846 4.076 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.270 4.872 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.676 5.010 2.916 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.554 2.791 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.349 0.962 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.436 1.979 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.176 2.152 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -8.995 1.746 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.186 3.175 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -9.723 3.359 4.500 1.00 0.00 H new ATOM 447 N ALA A 538 -7.292 7.233 1.975 1.00 0.00 N ATOM 448 CA ALA A 538 -7.800 8.517 1.520 1.00 0.00 C ATOM 449 C ALA A 538 -7.073 8.975 0.256 1.00 0.00 C ATOM 450 O ALA A 538 -7.710 9.247 -0.764 1.00 0.00 O ATOM 451 CB ALA A 538 -7.673 9.554 2.639 1.00 0.00 C ATOM 0 H ALA A 538 -6.950 7.244 2.936 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.855 8.408 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.055 10.514 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.248 9.227 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.625 9.661 2.919 1.00 0.00 H new ATOM 457 N HIS A 539 -5.743 9.050 0.304 1.00 0.00 N ATOM 458 CA HIS A 539 -4.945 9.495 -0.828 1.00 0.00 C ATOM 459 C HIS A 539 -5.103 8.556 -2.027 1.00 0.00 C ATOM 460 O HIS A 539 -5.195 9.023 -3.167 1.00 0.00 O ATOM 461 CB HIS A 539 -3.479 9.608 -0.406 1.00 0.00 C ATOM 462 CG HIS A 539 -2.659 10.247 -1.493 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.719 11.572 -1.892 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.789 9.583 -2.310 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.897 11.702 -2.950 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.295 10.518 -3.201 1.00 0.00 N ATOM 0 H HIS A 539 -5.194 8.804 1.128 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.301 10.476 -1.142 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.403 10.198 0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.083 8.618 -0.180 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.536 8.534 -2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.742 12.612 -3.511 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.596 10.344 -3.924 1.00 0.00 H new ATOM 475 N ALA A 540 -5.111 7.240 -1.797 1.00 0.00 N ATOM 476 CA ALA A 540 -5.350 6.240 -2.828 1.00 0.00 C ATOM 477 C ALA A 540 -6.684 6.482 -3.544 1.00 0.00 C ATOM 478 O ALA A 540 -6.697 6.432 -4.769 1.00 0.00 O ATOM 479 CB ALA A 540 -5.282 4.829 -2.230 1.00 0.00 C ATOM 0 H ALA A 540 -4.949 6.839 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.564 6.329 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.463 4.093 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.295 4.664 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.040 4.726 -1.453 1.00 0.00 H new ATOM 485 N GLU A 541 -7.787 6.763 -2.842 1.00 0.00 N ATOM 486 CA GLU A 541 -9.057 7.150 -3.464 1.00 0.00 C ATOM 487 C GLU A 541 -8.884 8.444 -4.265 1.00 0.00 C ATOM 488 O GLU A 541 -9.297 8.547 -5.422 1.00 0.00 O ATOM 489 CB GLU A 541 -10.141 7.379 -2.387 1.00 0.00 C ATOM 490 CG GLU A 541 -11.271 6.346 -2.416 1.00 0.00 C ATOM 491 CD GLU A 541 -12.594 6.969 -1.957 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.656 7.497 -0.820 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.583 6.984 -2.723 1.00 0.00 O ATOM 0 H GLU A 541 -7.824 6.728 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.365 6.342 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.672 7.362 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.567 8.373 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -11.382 5.951 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.017 5.505 -1.770 1.00 0.00 H new ATOM 500 N GLU A 542 -8.275 9.447 -3.633 1.00 0.00 N ATOM 501 CA GLU A 542 -8.204 10.815 -4.127 1.00 0.00 C ATOM 502 C GLU A 542 -7.461 10.889 -5.469 1.00 0.00 C ATOM 503 O GLU A 542 -7.742 11.750 -6.310 1.00 0.00 O ATOM 504 CB GLU A 542 -7.504 11.666 -3.058 1.00 0.00 C ATOM 505 CG GLU A 542 -7.525 13.146 -3.434 1.00 0.00 C ATOM 506 CD GLU A 542 -6.891 14.083 -2.410 1.00 0.00 C ATOM 507 OE1 GLU A 542 -6.159 13.621 -1.510 1.00 0.00 O ATOM 508 OE2 GLU A 542 -7.057 15.314 -2.583 1.00 0.00 O ATOM 0 H GLU A 542 -7.804 9.323 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.209 11.195 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -7.997 11.525 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.473 11.332 -2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.009 13.270 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.560 13.451 -3.590 1.00 0.00 H new ATOM 515 N THR A 543 -6.523 9.970 -5.690 1.00 0.00 N ATOM 516 CA THR A 543 -5.662 9.954 -6.865 1.00 0.00 C ATOM 517 C THR A 543 -5.807 8.658 -7.679 1.00 0.00 C ATOM 518 O THR A 543 -5.073 8.443 -8.645 1.00 0.00 O ATOM 519 CB THR A 543 -4.223 10.262 -6.428 1.00 0.00 C ATOM 520 OG1 THR A 543 -3.751 9.362 -5.438 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.077 11.676 -5.860 1.00 0.00 C ATOM 0 H THR A 543 -6.339 9.203 -5.044 1.00 0.00 H new ATOM 0 HA THR A 543 -5.974 10.734 -7.559 1.00 0.00 H new ATOM 0 HB THR A 543 -3.632 10.159 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.313 9.432 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.041 11.845 -5.566 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.362 12.404 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.724 11.787 -4.990 1.00 0.00 H new ATOM 529 N ARG A 544 -6.749 7.785 -7.291 1.00 0.00 N ATOM 530 CA ARG A 544 -6.989 6.433 -7.812 1.00 0.00 C ATOM 531 C ARG A 544 -5.723 5.557 -7.838 1.00 0.00 C ATOM 532 O ARG A 544 -5.703 4.524 -8.509 1.00 0.00 O ATOM 533 CB ARG A 544 -7.762 6.454 -9.147 1.00 0.00 C ATOM 534 CG ARG A 544 -9.141 7.144 -9.083 1.00 0.00 C ATOM 535 CD ARG A 544 -9.015 8.673 -9.053 1.00 0.00 C ATOM 536 NE ARG A 544 -10.183 9.355 -9.629 1.00 0.00 N ATOM 537 CZ ARG A 544 -10.199 10.596 -10.127 1.00 0.00 C ATOM 538 NH1 ARG A 544 -9.115 11.360 -10.130 1.00 0.00 N ATOM 539 NH2 ARG A 544 -11.320 11.077 -10.639 1.00 0.00 N ATOM 0 H ARG A 544 -7.410 8.024 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.646 5.938 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.152 6.959 -9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.900 5.428 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.737 6.846 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -9.675 6.806 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -8.881 9.001 -8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -8.121 8.970 -9.601 1.00 0.00 H new ATOM 0 HE ARG A 544 -11.060 8.835 -9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -8.240 11.005 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -9.157 12.303 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -12.163 10.502 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -11.342 12.022 -11.021 1.00 0.00 H new ATOM 553 N LYS A 545 -4.656 5.952 -7.131 1.00 0.00 N ATOM 554 CA LYS A 545 -3.374 5.251 -7.117 1.00 0.00 C ATOM 555 C LYS A 545 -3.560 3.872 -6.503 1.00 0.00 C ATOM 556 O LYS A 545 -4.416 3.683 -5.633 1.00 0.00 O ATOM 557 CB LYS A 545 -2.313 6.079 -6.374 1.00 0.00 C ATOM 558 CG LYS A 545 -1.910 7.294 -7.225 1.00 0.00 C ATOM 559 CD LYS A 545 -0.905 8.206 -6.517 1.00 0.00 C ATOM 560 CE LYS A 545 -0.760 9.577 -7.201 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.281 9.505 -8.596 1.00 0.00 N ATOM 0 H LYS A 545 -4.664 6.785 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.014 5.121 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -2.705 6.411 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.438 5.463 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.480 6.947 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -2.802 7.869 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.219 8.352 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 545 0.067 7.715 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.725 10.083 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -0.069 10.189 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.553 10.372 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 0.755 9.411 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 -0.707 8.681 -9.067 1.00 0.00 H new ATOM 575 N LEU A 546 -2.761 2.915 -6.968 1.00 0.00 N ATOM 576 CA LEU A 546 -2.883 1.527 -6.551 1.00 0.00 C ATOM 577 C LEU A 546 -2.266 1.364 -5.164 1.00 0.00 C ATOM 578 O LEU A 546 -1.240 1.979 -4.851 1.00 0.00 O ATOM 579 CB LEU A 546 -2.186 0.628 -7.585 1.00 0.00 C ATOM 580 CG LEU A 546 -2.401 -0.884 -7.365 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.840 -1.304 -7.676 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.448 -1.659 -8.274 1.00 0.00 C ATOM 0 H LEU A 546 -2.014 3.082 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.931 1.234 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.546 0.893 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.116 0.837 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 546 -2.204 -1.105 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.951 -2.375 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -4.526 -0.762 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -4.070 -1.074 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -1.593 -2.729 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.652 -1.406 -9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.419 -1.395 -8.031 1.00 0.00 H new ATOM 594 N MET A 547 -2.842 0.471 -4.363 1.00 0.00 N ATOM 595 CA MET A 547 -2.424 0.183 -3.003 1.00 0.00 C ATOM 596 C MET A 547 -2.053 -1.304 -2.862 1.00 0.00 C ATOM 597 O MET A 547 -2.901 -2.122 -2.503 1.00 0.00 O ATOM 598 CB MET A 547 -3.540 0.652 -2.060 1.00 0.00 C ATOM 599 CG MET A 547 -3.079 0.721 -0.606 1.00 0.00 C ATOM 600 SD MET A 547 -4.135 1.790 0.404 1.00 0.00 S ATOM 601 CE MET A 547 -3.277 1.677 1.984 1.00 0.00 C ATOM 0 H MET A 547 -3.641 -0.090 -4.659 1.00 0.00 H new ATOM 0 HA MET A 547 -1.517 0.724 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.890 1.635 -2.375 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.388 -0.028 -2.138 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.072 -0.283 -0.182 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.054 1.089 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.746 2.350 2.702 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.333 0.654 2.356 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.232 1.959 1.852 1.00 0.00 H new ATOM 611 N PRO A 548 -0.805 -1.700 -3.169 1.00 0.00 N ATOM 612 CA PRO A 548 -0.283 -3.032 -2.868 1.00 0.00 C ATOM 613 C PRO A 548 -0.453 -3.373 -1.382 1.00 0.00 C ATOM 614 O PRO A 548 0.082 -2.640 -0.542 1.00 0.00 O ATOM 615 CB PRO A 548 1.201 -3.005 -3.266 1.00 0.00 C ATOM 616 CG PRO A 548 1.323 -1.827 -4.224 1.00 0.00 C ATOM 617 CD PRO A 548 0.205 -0.880 -3.810 1.00 0.00 C ATOM 0 HA PRO A 548 -0.825 -3.802 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.842 -2.875 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 548 1.500 -3.938 -3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.299 -1.348 -4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 548 1.210 -2.145 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.576 -0.115 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 548 -0.207 -0.362 -4.676 1.00 0.00 H new ATOM 625 N ILE A 549 -1.136 -4.476 -1.062 1.00 0.00 N ATOM 626 CA ILE A 549 -1.293 -5.010 0.287 1.00 0.00 C ATOM 627 C ILE A 549 -0.836 -6.463 0.257 1.00 0.00 C ATOM 628 O ILE A 549 -1.302 -7.278 -0.537 1.00 0.00 O ATOM 629 CB ILE A 549 -2.740 -4.888 0.811 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.254 -3.439 0.841 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.911 -5.531 2.202 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.564 -2.459 1.794 1.00 0.00 C ATOM 0 H ILE A 549 -1.612 -5.041 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.686 -4.427 0.980 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.347 -5.439 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.178 -3.035 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.314 -3.464 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.945 -5.421 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.659 -6.590 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.250 -5.038 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -3.031 -1.478 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.661 -2.818 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.508 -2.382 1.535 1.00 0.00 H new ATOM 644 N CYS A 550 0.080 -6.776 1.161 1.00 0.00 N ATOM 645 CA CYS A 550 0.540 -8.127 1.409 1.00 0.00 C ATOM 646 C CYS A 550 -0.564 -8.842 2.185 1.00 0.00 C ATOM 647 O CYS A 550 -0.799 -8.493 3.342 1.00 0.00 O ATOM 648 CB CYS A 550 1.847 -8.048 2.211 1.00 0.00 C ATOM 649 SG CYS A 550 2.875 -9.507 1.903 1.00 0.00 S ATOM 0 H CYS A 550 0.532 -6.080 1.754 1.00 0.00 H new ATOM 0 HA CYS A 550 0.742 -8.678 0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.394 -7.146 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.623 -7.973 3.275 1.00 0.00 H new ATOM 0 HG CYS A 550 2.836 -9.806 0.638 1.00 0.00 H new ATOM 655 N MET A 551 -1.253 -9.822 1.592 1.00 0.00 N ATOM 656 CA MET A 551 -2.441 -10.402 2.233 1.00 0.00 C ATOM 657 C MET A 551 -2.154 -11.131 3.561 1.00 0.00 C ATOM 658 O MET A 551 -3.091 -11.480 4.278 1.00 0.00 O ATOM 659 CB MET A 551 -3.220 -11.300 1.256 1.00 0.00 C ATOM 660 CG MET A 551 -2.455 -12.566 0.851 1.00 0.00 C ATOM 661 SD MET A 551 -3.365 -13.793 -0.130 1.00 0.00 S ATOM 662 CE MET A 551 -4.157 -12.764 -1.398 1.00 0.00 C ATOM 0 H MET A 551 -1.016 -10.226 0.686 1.00 0.00 H new ATOM 0 HA MET A 551 -3.068 -9.552 2.503 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.167 -11.587 1.714 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.460 -10.727 0.360 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.574 -12.264 0.285 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.099 -13.053 1.759 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.702 -13.401 -2.095 1.00 0.00 H new ATOM 0 HE2 MET A 551 -4.850 -12.070 -0.923 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.395 -12.202 -1.939 1.00 0.00 H new ATOM 672 N ASP A 552 -0.881 -11.380 3.891 1.00 0.00 N ATOM 673 CA ASP A 552 -0.465 -11.972 5.162 1.00 0.00 C ATOM 674 C ASP A 552 -0.787 -11.078 6.352 1.00 0.00 C ATOM 675 O ASP A 552 -1.149 -11.625 7.396 1.00 0.00 O ATOM 676 CB ASP A 552 1.039 -12.279 5.159 1.00 0.00 C ATOM 677 CG ASP A 552 1.661 -12.292 6.567 1.00 0.00 C ATOM 678 OD1 ASP A 552 2.065 -11.218 7.068 1.00 0.00 O ATOM 679 OD2 ASP A 552 1.647 -13.368 7.207 1.00 0.00 O ATOM 0 H ASP A 552 -0.100 -11.171 3.269 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.031 -12.898 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.204 -13.248 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.553 -11.536 4.549 1.00 0.00 H new ATOM 684 N VAL A 553 -0.634 -9.751 6.242 1.00 0.00 N ATOM 685 CA VAL A 553 -0.785 -8.871 7.397 1.00 0.00 C ATOM 686 C VAL A 553 -2.271 -8.759 7.715 1.00 0.00 C ATOM 687 O VAL A 553 -2.954 -7.820 7.306 1.00 0.00 O ATOM 688 CB VAL A 553 0.002 -7.551 7.264 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.086 -6.886 5.894 1.00 0.00 C ATOM 690 CG2 VAL A 553 -0.166 -6.571 8.422 1.00 0.00 C ATOM 0 H VAL A 553 -0.408 -9.272 5.371 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.309 -9.301 8.278 1.00 0.00 H new ATOM 0 HB VAL A 553 1.035 -7.890 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.498 -5.966 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 553 0.307 -7.563 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 553 -1.127 -6.654 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 553 0.427 -5.677 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 553 -1.216 -6.296 8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 553 0.171 -7.039 9.347 1.00 0.00 H new ATOM 700 N ARG A 554 -2.786 -9.742 8.455 1.00 0.00 N ATOM 701 CA ARG A 554 -4.172 -9.809 8.890 1.00 0.00 C ATOM 702 C ARG A 554 -4.520 -8.550 9.672 1.00 0.00 C ATOM 703 O ARG A 554 -5.661 -8.109 9.599 1.00 0.00 O ATOM 704 CB ARG A 554 -4.410 -11.061 9.748 1.00 0.00 C ATOM 705 CG ARG A 554 -4.199 -12.413 9.042 1.00 0.00 C ATOM 706 CD ARG A 554 -5.303 -12.731 8.027 1.00 0.00 C ATOM 707 NE ARG A 554 -5.023 -13.986 7.314 1.00 0.00 N ATOM 708 CZ ARG A 554 -5.902 -14.814 6.736 1.00 0.00 C ATOM 709 NH1 ARG A 554 -7.213 -14.629 6.841 1.00 0.00 N ATOM 710 NH2 ARG A 554 -5.436 -15.846 6.050 1.00 0.00 N ATOM 0 H ARG A 554 -2.229 -10.535 8.775 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.817 -9.875 8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.746 -11.017 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.431 -11.028 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -3.235 -12.406 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.159 -13.206 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.262 -12.807 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -5.389 -11.914 7.311 1.00 0.00 H new ATOM 0 HE ARG A 554 -4.042 -14.258 7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -7.575 -13.838 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -7.857 -15.278 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -4.430 -15.994 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -6.083 -16.493 5.599 1.00 0.00 H new ATOM 724 N ALA A 555 -3.556 -7.938 10.364 1.00 0.00 N ATOM 725 CA ALA A 555 -3.754 -6.666 11.032 1.00 0.00 C ATOM 726 C ALA A 555 -4.143 -5.555 10.055 1.00 0.00 C ATOM 727 O ALA A 555 -5.056 -4.780 10.344 1.00 0.00 O ATOM 728 CB ALA A 555 -2.493 -6.301 11.820 1.00 0.00 C ATOM 0 H ALA A 555 -2.616 -8.319 10.472 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.590 -6.770 11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.642 -5.345 12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.292 -7.073 12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.647 -6.224 11.137 1.00 0.00 H new ATOM 734 N ILE A 556 -3.478 -5.451 8.901 1.00 0.00 N ATOM 735 CA ILE A 556 -3.858 -4.481 7.873 1.00 0.00 C ATOM 736 C ILE A 556 -5.185 -4.933 7.241 1.00 0.00 C ATOM 737 O ILE A 556 -6.114 -4.137 7.074 1.00 0.00 O ATOM 738 CB ILE A 556 -2.687 -4.334 6.872 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.542 -3.490 7.481 1.00 0.00 C ATOM 740 CG2 ILE A 556 -3.093 -3.779 5.500 1.00 0.00 C ATOM 741 CD1 ILE A 556 -1.787 -1.980 7.602 1.00 0.00 C ATOM 0 H ILE A 556 -2.673 -6.028 8.656 1.00 0.00 H new ATOM 0 HA ILE A 556 -4.035 -3.487 8.283 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.335 -5.349 6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -1.324 -3.880 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.648 -3.642 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.213 -3.708 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.823 -4.445 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.532 -2.789 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.911 -1.503 8.043 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -1.969 -1.561 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -2.655 -1.802 8.237 1.00 0.00 H new ATOM 753 N MET A 557 -5.288 -6.221 6.913 1.00 0.00 N ATOM 754 CA MET A 557 -6.361 -6.758 6.086 1.00 0.00 C ATOM 755 C MET A 557 -7.703 -6.671 6.801 1.00 0.00 C ATOM 756 O MET A 557 -8.689 -6.226 6.214 1.00 0.00 O ATOM 757 CB MET A 557 -6.070 -8.218 5.719 1.00 0.00 C ATOM 758 CG MET A 557 -4.917 -8.403 4.728 1.00 0.00 C ATOM 759 SD MET A 557 -5.495 -8.841 3.072 1.00 0.00 S ATOM 760 CE MET A 557 -6.545 -7.419 2.735 1.00 0.00 C ATOM 0 H MET A 557 -4.619 -6.927 7.220 1.00 0.00 H new ATOM 0 HA MET A 557 -6.412 -6.158 5.177 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.842 -8.771 6.630 1.00 0.00 H new ATOM 0 HB3 MET A 557 -6.972 -8.660 5.295 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.336 -7.482 4.675 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.248 -9.182 5.094 1.00 0.00 H new ATOM 0 HE1 MET A 557 -7.031 -7.547 1.768 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.303 -7.334 3.513 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.938 -6.514 2.719 1.00 0.00 H new ATOM 770 N ALA A 558 -7.748 -7.064 8.074 1.00 0.00 N ATOM 771 CA ALA A 558 -8.962 -7.066 8.871 1.00 0.00 C ATOM 772 C ALA A 558 -9.451 -5.644 9.157 1.00 0.00 C ATOM 773 O ALA A 558 -10.618 -5.491 9.528 1.00 0.00 O ATOM 774 CB ALA A 558 -8.734 -7.831 10.178 1.00 0.00 C ATOM 0 H ALA A 558 -6.927 -7.394 8.582 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.740 -7.570 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.651 -7.826 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.453 -8.860 9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.936 -7.353 10.745 1.00 0.00 H new ATOM 780 N THR A 559 -8.615 -4.613 8.993 1.00 0.00 N ATOM 781 CA THR A 559 -9.066 -3.229 8.976 1.00 0.00 C ATOM 782 C THR A 559 -9.700 -2.920 7.619 1.00 0.00 C ATOM 783 O THR A 559 -10.840 -2.464 7.601 1.00 0.00 O ATOM 784 CB THR A 559 -7.921 -2.268 9.328 1.00 0.00 C ATOM 785 OG1 THR A 559 -7.376 -2.659 10.571 1.00 0.00 O ATOM 786 CG2 THR A 559 -8.427 -0.827 9.456 1.00 0.00 C ATOM 0 H THR A 559 -7.608 -4.721 8.869 1.00 0.00 H new ATOM 0 HA THR A 559 -9.826 -3.083 9.743 1.00 0.00 H new ATOM 0 HB THR A 559 -7.175 -2.309 8.534 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.655 -3.306 10.423 1.00 0.00 H new ATOM 0 HG21 THR A 559 -7.594 -0.170 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.868 -0.511 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 559 -9.179 -0.774 10.243 1.00 0.00 H new ATOM 794 N ILE A 560 -9.027 -3.190 6.493 1.00 0.00 N ATOM 795 CA ILE A 560 -9.569 -2.934 5.154 1.00 0.00 C ATOM 796 C ILE A 560 -10.939 -3.606 5.008 1.00 0.00 C ATOM 797 O ILE A 560 -11.920 -2.926 4.717 1.00 0.00 O ATOM 798 CB ILE A 560 -8.559 -3.367 4.065 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.294 -2.483 4.112 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.178 -3.257 2.662 1.00 0.00 C ATOM 801 CD1 ILE A 560 -6.094 -3.156 3.435 1.00 0.00 C ATOM 0 H ILE A 560 -8.090 -3.593 6.486 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.723 -1.864 5.018 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.294 -4.405 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.499 -1.531 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -7.046 -2.260 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.446 -3.567 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -10.055 -3.901 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.472 -2.224 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.227 -2.497 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.870 -4.095 3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.330 -3.354 2.390 1.00 0.00 H new ATOM 813 N GLN A 561 -11.053 -4.910 5.279 1.00 0.00 N ATOM 814 CA GLN A 561 -12.332 -5.598 5.122 1.00 0.00 C ATOM 815 C GLN A 561 -13.421 -5.044 6.054 1.00 0.00 C ATOM 816 O GLN A 561 -14.606 -5.158 5.744 1.00 0.00 O ATOM 817 CB GLN A 561 -12.201 -7.105 5.361 1.00 0.00 C ATOM 818 CG GLN A 561 -11.268 -7.864 4.410 1.00 0.00 C ATOM 819 CD GLN A 561 -11.443 -9.354 4.663 1.00 0.00 C ATOM 820 OE1 GLN A 561 -10.789 -9.936 5.525 1.00 0.00 O ATOM 821 NE2 GLN A 561 -12.319 -10.003 3.918 1.00 0.00 N ATOM 0 H GLN A 561 -10.287 -5.500 5.603 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.632 -5.417 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.850 -7.261 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -13.194 -7.550 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.504 -7.624 3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -10.232 -7.569 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -12.853 -9.503 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -12.462 -11.004 4.054 1.00 0.00 H new ATOM 830 N ARG A 562 -13.054 -4.441 7.190 1.00 0.00 N ATOM 831 CA ARG A 562 -13.997 -3.796 8.102 1.00 0.00 C ATOM 832 C ARG A 562 -14.376 -2.402 7.608 1.00 0.00 C ATOM 833 O ARG A 562 -15.487 -1.949 7.885 1.00 0.00 O ATOM 834 CB ARG A 562 -13.367 -3.770 9.499 1.00 0.00 C ATOM 835 CG ARG A 562 -14.288 -3.255 10.609 1.00 0.00 C ATOM 836 CD ARG A 562 -13.535 -3.403 11.929 1.00 0.00 C ATOM 837 NE ARG A 562 -14.328 -2.991 13.092 1.00 0.00 N ATOM 838 CZ ARG A 562 -13.987 -3.248 14.362 1.00 0.00 C ATOM 839 NH1 ARG A 562 -12.797 -3.768 14.659 1.00 0.00 N ATOM 840 NH2 ARG A 562 -14.835 -2.986 15.344 1.00 0.00 N ATOM 0 H ARG A 562 -12.084 -4.388 7.502 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.929 -4.360 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -13.042 -4.779 9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.474 -3.146 9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.555 -2.213 10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -15.218 -3.823 10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.232 -4.443 12.053 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -12.623 -2.808 11.889 1.00 0.00 H new ATOM 0 HE ARG A 562 -15.193 -2.477 12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -12.131 -3.976 13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -12.552 -3.958 15.631 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -15.750 -2.588 15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -14.573 -3.183 16.310 1.00 0.00 H new ATOM 854 N LYS A 563 -13.466 -1.711 6.917 1.00 0.00 N ATOM 855 CA LYS A 563 -13.654 -0.380 6.352 1.00 0.00 C ATOM 856 C LYS A 563 -14.626 -0.447 5.189 1.00 0.00 C ATOM 857 O LYS A 563 -15.536 0.371 5.106 1.00 0.00 O ATOM 858 CB LYS A 563 -12.298 0.172 5.879 1.00 0.00 C ATOM 859 CG LYS A 563 -12.380 1.620 5.370 1.00 0.00 C ATOM 860 CD LYS A 563 -12.520 2.665 6.469 1.00 0.00 C ATOM 861 CE LYS A 563 -11.169 2.800 7.169 1.00 0.00 C ATOM 862 NZ LYS A 563 -11.253 3.740 8.315 1.00 0.00 N ATOM 0 H LYS A 563 -12.536 -2.085 6.730 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.064 0.284 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.585 0.123 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.911 -0.465 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -11.485 1.839 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.229 1.707 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.828 3.622 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.290 2.368 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.838 1.822 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.421 3.153 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.322 3.813 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.546 4.678 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -11.950 3.388 9.002 1.00 0.00 H new ATOM 876 N TYR A 564 -14.422 -1.399 4.287 1.00 0.00 N ATOM 877 CA TYR A 564 -15.129 -1.500 3.025 1.00 0.00 C ATOM 878 C TYR A 564 -15.967 -2.765 3.104 1.00 0.00 C ATOM 879 O TYR A 564 -15.595 -3.812 2.580 1.00 0.00 O ATOM 880 CB TYR A 564 -14.094 -1.502 1.897 1.00 0.00 C ATOM 881 CG TYR A 564 -13.209 -0.271 1.870 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.696 0.884 1.244 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.936 -0.258 2.478 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.899 2.036 1.171 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.161 0.920 2.503 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.655 2.075 1.843 1.00 0.00 C ATOM 887 OH TYR A 564 -10.960 3.238 1.910 1.00 0.00 O ATOM 0 H TYR A 564 -13.738 -2.143 4.422 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.799 -0.664 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.465 -2.387 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.613 -1.585 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.688 0.887 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.551 -1.160 2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.234 2.891 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.210 0.943 3.014 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.104 3.655 2.785 1.00 0.00 H new ATOM 897 N LYS A 565 -17.016 -2.717 3.926 1.00 0.00 N ATOM 898 CA LYS A 565 -17.552 -3.920 4.527 1.00 0.00 C ATOM 899 C LYS A 565 -18.235 -4.843 3.519 1.00 0.00 C ATOM 900 O LYS A 565 -18.611 -4.426 2.419 1.00 0.00 O ATOM 901 CB LYS A 565 -18.355 -3.536 5.763 1.00 0.00 C ATOM 902 CG LYS A 565 -19.769 -3.085 5.433 1.00 0.00 C ATOM 903 CD LYS A 565 -20.568 -2.667 6.680 1.00 0.00 C ATOM 904 CE LYS A 565 -19.924 -1.496 7.436 1.00 0.00 C ATOM 905 NZ LYS A 565 -20.768 -0.976 8.536 1.00 0.00 N ATOM 0 H LYS A 565 -17.503 -1.859 4.184 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.744 -4.561 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.400 -4.389 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.838 -2.736 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.725 -2.247 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.294 -3.894 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.579 -2.389 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.658 -3.521 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -18.966 -1.818 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -19.716 -0.689 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -20.278 -0.188 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.673 -0.640 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -20.946 -1.734 9.225 1.00 0.00 H new ATOM 919 N GLY A 566 -18.427 -6.102 3.905 1.00 0.00 N ATOM 920 CA GLY A 566 -19.086 -7.091 3.068 1.00 0.00 C ATOM 921 C GLY A 566 -18.160 -7.680 1.998 1.00 0.00 C ATOM 922 O GLY A 566 -18.621 -8.430 1.140 1.00 0.00 O ATOM 0 H GLY A 566 -18.127 -6.462 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.465 -7.897 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.948 -6.633 2.583 1.00 0.00 H new ATOM 926 N ILE A 567 -16.866 -7.358 2.020 1.00 0.00 N ATOM 927 CA ILE A 567 -15.834 -7.913 1.149 1.00 0.00 C ATOM 928 C ILE A 567 -15.271 -9.194 1.784 1.00 0.00 C ATOM 929 O ILE A 567 -15.047 -9.249 2.997 1.00 0.00 O ATOM 930 CB ILE A 567 -14.758 -6.826 0.936 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.728 -7.204 -0.149 1.00 0.00 C ATOM 932 CG2 ILE A 567 -14.074 -6.417 2.247 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.499 -6.297 -0.152 1.00 0.00 C ATOM 0 H ILE A 567 -16.494 -6.672 2.676 1.00 0.00 H new ATOM 0 HA ILE A 567 -16.233 -8.193 0.174 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.292 -5.951 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.410 -8.235 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -14.207 -7.160 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -13.326 -5.651 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.819 -6.023 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.591 -7.287 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.814 -6.615 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.807 -5.267 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.998 -6.360 0.814 1.00 0.00 H new ATOM 945 N LYS A 568 -14.956 -10.197 0.969 1.00 0.00 N ATOM 946 CA LYS A 568 -14.113 -11.353 1.284 1.00 0.00 C ATOM 947 C LYS A 568 -12.787 -11.152 0.552 1.00 0.00 C ATOM 948 O LYS A 568 -12.844 -10.761 -0.607 1.00 0.00 O ATOM 949 CB LYS A 568 -14.809 -12.630 0.774 1.00 0.00 C ATOM 950 CG LYS A 568 -14.195 -13.890 1.400 1.00 0.00 C ATOM 951 CD LYS A 568 -14.638 -15.181 0.701 1.00 0.00 C ATOM 952 CE LYS A 568 -14.163 -16.360 1.558 1.00 0.00 C ATOM 953 NZ LYS A 568 -14.545 -17.667 0.993 1.00 0.00 N ATOM 0 H LYS A 568 -15.303 -10.229 0.010 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.946 -11.449 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -15.872 -12.586 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -14.725 -12.683 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -13.108 -13.816 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.473 -13.939 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -15.722 -15.202 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -14.212 -15.240 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -13.079 -16.316 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -14.581 -16.266 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -14.199 -18.427 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -15.581 -17.724 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -14.125 -17.772 0.047 1.00 0.00 H new ATOM 967 N ILE A 569 -11.624 -11.334 1.193 1.00 0.00 N ATOM 968 CA ILE A 569 -10.282 -11.348 0.582 1.00 0.00 C ATOM 969 C ILE A 569 -10.293 -12.056 -0.774 1.00 0.00 C ATOM 970 O ILE A 569 -10.973 -13.061 -0.978 1.00 0.00 O ATOM 971 CB ILE A 569 -9.197 -11.936 1.524 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.117 -11.195 2.873 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.789 -11.901 0.886 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.945 -9.678 2.724 1.00 0.00 C ATOM 0 H ILE A 569 -11.589 -11.483 2.201 1.00 0.00 H new ATOM 0 HA ILE A 569 -10.009 -10.306 0.413 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.505 -12.968 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.023 -11.396 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.282 -11.593 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.064 -12.322 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.792 -12.486 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.518 -10.870 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.896 -9.219 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.024 -9.468 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.793 -9.268 2.175 1.00 0.00 H new ATOM 986 N GLN A 570 -9.511 -11.487 -1.684 1.00 0.00 N ATOM 987 CA GLN A 570 -9.375 -11.823 -3.084 1.00 0.00 C ATOM 988 C GLN A 570 -7.870 -11.923 -3.365 1.00 0.00 C ATOM 989 O GLN A 570 -7.062 -11.662 -2.471 1.00 0.00 O ATOM 990 CB GLN A 570 -10.024 -10.716 -3.935 1.00 0.00 C ATOM 991 CG GLN A 570 -11.374 -10.179 -3.418 1.00 0.00 C ATOM 992 CD GLN A 570 -11.266 -8.856 -2.641 1.00 0.00 C ATOM 993 OE1 GLN A 570 -11.048 -8.812 -1.328 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.407 -7.796 -3.235 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.903 -10.708 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.869 -12.763 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.326 -9.882 -4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.169 -11.098 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -12.045 -10.037 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.829 -10.931 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.575 -7.794 -4.241 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.356 -6.915 -2.724 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.479 -12.229 -4.599 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.088 -12.218 -5.026 1.00 0.00 C ATOM 1005 C GLU A 571 -5.997 -11.464 -6.351 1.00 0.00 C ATOM 1006 O GLU A 571 -6.983 -11.374 -7.090 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.633 -13.678 -5.140 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.115 -13.894 -5.093 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.764 -15.388 -5.096 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -4.054 -16.111 -4.117 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -3.187 -15.873 -6.097 1.00 0.00 O ATOM 0 H GLU A 571 -8.130 -12.495 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.433 -11.709 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -6.090 -14.249 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -6.014 -14.089 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.650 -13.407 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.706 -13.424 -4.199 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.810 -10.961 -6.671 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.599 -10.059 -7.798 1.00 0.00 C ATOM 1020 C GLY A 572 -4.987 -8.634 -7.434 1.00 0.00 C ATOM 1021 O GLY A 572 -5.119 -8.282 -6.259 1.00 0.00 O ATOM 0 H GLY A 572 -3.958 -11.170 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.553 -10.089 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.188 -10.394 -8.652 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.145 -7.794 -8.453 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.728 -6.468 -8.306 1.00 0.00 C ATOM 1027 C ILE A 573 -7.101 -6.607 -7.652 1.00 0.00 C ATOM 1028 O ILE A 573 -7.830 -7.567 -7.906 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.777 -5.787 -9.688 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.375 -5.205 -9.978 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.844 -4.675 -9.765 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.121 -4.940 -11.460 1.00 0.00 C ATOM 0 H ILE A 573 -4.870 -8.018 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.125 -5.831 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.057 -6.530 -10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.255 -4.274 -9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.619 -5.896 -9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.834 -4.230 -10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.828 -5.100 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.624 -3.908 -9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.118 -4.532 -11.590 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.208 -5.873 -12.017 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.854 -4.225 -11.833 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.464 -5.612 -6.855 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.754 -5.469 -6.226 1.00 0.00 C ATOM 1046 C VAL A 574 -9.247 -4.051 -6.525 1.00 0.00 C ATOM 1047 O VAL A 574 -8.478 -3.094 -6.652 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.596 -5.819 -4.730 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.694 -5.239 -3.828 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.544 -7.345 -4.565 1.00 0.00 C ATOM 0 H VAL A 574 -6.829 -4.848 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.517 -6.148 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.664 -5.356 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.508 -5.532 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.690 -4.152 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.664 -5.621 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.432 -7.593 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.466 -7.784 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.696 -7.743 -5.123 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.556 -3.926 -6.651 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.322 -2.697 -6.761 1.00 0.00 C ATOM 1062 C ASP A 575 -12.417 -2.839 -5.717 1.00 0.00 C ATOM 1063 O ASP A 575 -13.446 -3.461 -5.981 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.851 -2.565 -8.195 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.834 -1.406 -8.399 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -14.041 -1.519 -8.087 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -12.373 -0.350 -8.897 1.00 0.00 O ATOM 0 H ASP A 575 -11.159 -4.748 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.749 -1.788 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -11.006 -2.433 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.342 -3.497 -8.476 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.157 -2.394 -4.486 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.161 -2.475 -3.433 1.00 0.00 C ATOM 1074 C TYR A 576 -13.030 -1.265 -2.517 1.00 0.00 C ATOM 1075 O TYR A 576 -12.375 -1.327 -1.472 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.157 -3.847 -2.725 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.531 -4.238 -2.227 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.126 -3.520 -1.176 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.206 -5.331 -2.797 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.370 -3.914 -0.658 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.444 -5.741 -2.278 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.027 -5.042 -1.195 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.186 -5.481 -0.630 1.00 0.00 O ATOM 0 H TYR A 576 -11.270 -1.979 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.160 -2.425 -3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.792 -4.608 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.463 -3.818 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.622 -2.658 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.772 -5.856 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.823 -3.356 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.953 -6.592 -2.706 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.278 -5.098 0.267 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.627 -0.144 -2.928 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.625 1.116 -2.195 1.00 0.00 C ATOM 1095 C GLY A 577 -12.326 1.898 -2.355 1.00 0.00 C ATOM 1096 O GLY A 577 -12.366 3.113 -2.545 1.00 0.00 O ATOM 0 H GLY A 577 -14.140 -0.091 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.457 1.731 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.793 0.914 -1.137 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.191 1.208 -2.348 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.892 1.689 -2.788 1.00 0.00 C ATOM 1102 C VAL A 578 -9.358 0.635 -3.765 1.00 0.00 C ATOM 1103 O VAL A 578 -9.767 -0.535 -3.744 1.00 0.00 O ATOM 1104 CB VAL A 578 -9.007 1.969 -1.547 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.492 1.909 -1.788 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.336 3.351 -0.972 1.00 0.00 C ATOM 0 H VAL A 578 -11.154 0.244 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.921 2.641 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.245 1.160 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.967 2.120 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.219 0.915 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.213 2.650 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.710 3.541 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -9.147 4.114 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.385 3.383 -0.679 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.466 1.061 -4.659 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.858 0.207 -5.660 1.00 0.00 C ATOM 1118 C ARG A 579 -6.659 -0.472 -5.017 1.00 0.00 C ATOM 1119 O ARG A 579 -5.631 0.173 -4.798 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.494 1.069 -6.879 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.517 0.231 -8.155 1.00 0.00 C ATOM 1122 CD ARG A 579 -7.443 1.133 -9.385 1.00 0.00 C ATOM 1123 NE ARG A 579 -8.758 1.723 -9.691 1.00 0.00 N ATOM 1124 CZ ARG A 579 -9.109 2.273 -10.858 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -8.197 2.494 -11.795 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -10.373 2.603 -11.101 1.00 0.00 N ATOM 0 H ARG A 579 -8.145 2.028 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.530 -0.574 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -8.197 1.897 -6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.504 1.504 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.678 -0.465 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.428 -0.367 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -6.716 1.927 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -7.091 0.557 -10.241 1.00 0.00 H new ATOM 0 HE ARG A 579 -9.459 1.711 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -7.222 2.244 -11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -8.470 2.914 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -11.088 2.437 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -10.628 3.022 -11.995 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.778 -1.750 -4.674 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.722 -2.488 -3.995 1.00 0.00 C ATOM 1142 C PHE A 580 -5.076 -3.506 -4.935 1.00 0.00 C ATOM 1143 O PHE A 580 -5.541 -3.729 -6.050 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.267 -3.170 -2.736 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.806 -2.267 -1.644 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.928 -1.645 -0.737 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.194 -2.097 -1.490 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.430 -0.913 0.353 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.695 -1.328 -0.427 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.816 -0.751 0.506 1.00 0.00 C ATOM 0 H PHE A 580 -7.614 -2.304 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.951 -1.780 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -7.063 -3.851 -3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.471 -3.780 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.861 -1.731 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.875 -2.558 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.751 -0.476 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.760 -1.179 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.206 -0.184 1.339 1.00 0.00 H new ATOM 1160 N PHE A 581 -4.011 -4.162 -4.478 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.362 -5.267 -5.170 1.00 0.00 C ATOM 1162 C PHE A 581 -2.915 -6.274 -4.115 1.00 0.00 C ATOM 1163 O PHE A 581 -2.012 -5.973 -3.335 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.225 -4.716 -6.039 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.267 -5.745 -6.603 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.732 -6.715 -7.507 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.097 -5.712 -6.258 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.843 -7.640 -8.076 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.988 -6.647 -6.811 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.517 -7.610 -7.720 1.00 0.00 C ATOM 0 H PHE A 581 -3.565 -3.930 -3.590 1.00 0.00 H new ATOM 0 HA PHE A 581 -4.032 -5.788 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.663 -4.162 -6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.653 -4.002 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.780 -6.749 -7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.460 -4.966 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -1.202 -8.372 -8.784 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.033 -6.626 -6.538 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.201 -8.329 -8.146 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.621 -7.401 -4.028 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.486 -8.435 -3.014 1.00 0.00 C ATOM 1182 C PHE A 582 -2.673 -9.590 -3.590 1.00 0.00 C ATOM 1183 O PHE A 582 -3.184 -10.383 -4.384 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.877 -8.914 -2.565 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.744 -7.936 -1.781 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.288 -6.659 -1.396 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -7.037 -8.340 -1.404 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -6.101 -5.819 -0.615 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.860 -7.491 -0.646 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.386 -6.233 -0.241 1.00 0.00 C ATOM 0 H PHE A 582 -4.347 -7.626 -4.709 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.969 -8.036 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.431 -9.215 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.743 -9.807 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.308 -6.324 -1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.401 -9.313 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.734 -4.852 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.857 -7.806 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 582 -8.010 -5.586 0.357 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.405 -9.680 -3.201 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.469 -10.681 -3.702 1.00 0.00 C ATOM 1202 C TYR A 583 -0.162 -11.721 -2.624 1.00 0.00 C ATOM 1203 O TYR A 583 -0.196 -11.423 -1.426 1.00 0.00 O ATOM 1204 CB TYR A 583 0.798 -9.975 -4.200 1.00 0.00 C ATOM 1205 CG TYR A 583 1.426 -9.018 -3.205 1.00 0.00 C ATOM 1206 CD1 TYR A 583 2.316 -9.499 -2.227 1.00 0.00 C ATOM 1207 CD2 TYR A 583 1.100 -7.649 -3.244 1.00 0.00 C ATOM 1208 CE1 TYR A 583 2.918 -8.610 -1.321 1.00 0.00 C ATOM 1209 CE2 TYR A 583 1.692 -6.757 -2.336 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.623 -7.228 -1.387 1.00 0.00 C ATOM 1211 OH TYR A 583 3.219 -6.346 -0.539 1.00 0.00 O ATOM 0 H TYR A 583 -0.991 -9.047 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.915 -11.220 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.535 -10.731 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.557 -9.425 -5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.537 -10.555 -2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 583 0.393 -7.284 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 583 3.605 -8.981 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 583 1.434 -5.709 -2.364 1.00 0.00 H new ATOM 0 HH TYR A 583 2.897 -5.440 -0.730 1.00 0.00 H new ATOM 1221 N THR A 584 0.158 -12.942 -3.056 1.00 0.00 N ATOM 1222 CA THR A 584 0.514 -14.061 -2.197 1.00 0.00 C ATOM 1223 C THR A 584 1.745 -13.740 -1.368 1.00 0.00 C ATOM 1224 O THR A 584 2.851 -13.705 -1.897 1.00 0.00 O ATOM 1225 CB THR A 584 0.690 -15.355 -3.013 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.292 -15.185 -4.286 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.668 -16.002 -3.268 1.00 0.00 C ATOM 0 H THR A 584 0.176 -13.182 -4.047 1.00 0.00 H new ATOM 0 HA THR A 584 -0.309 -14.231 -1.502 1.00 0.00 H new ATOM 0 HB THR A 584 1.353 -15.968 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.889 -14.408 -4.264 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.533 -16.916 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.142 -16.241 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 584 -1.301 -15.311 -3.825 1.00 0.00 H new ATOM 1235 N SER A 585 1.588 -13.566 -0.051 1.00 0.00 N ATOM 1236 CA SER A 585 2.725 -13.265 0.797 1.00 0.00 C ATOM 1237 C SER A 585 3.812 -14.345 0.744 1.00 0.00 C ATOM 1238 O SER A 585 4.969 -14.057 1.047 1.00 0.00 O ATOM 1239 CB SER A 585 2.250 -13.053 2.229 1.00 0.00 C ATOM 1240 OG SER A 585 3.325 -12.652 3.051 1.00 0.00 O ATOM 0 H SER A 585 0.694 -13.629 0.437 1.00 0.00 H new ATOM 0 HA SER A 585 3.183 -12.351 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 585 1.466 -12.296 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 585 1.814 -13.975 2.614 1.00 0.00 H new ATOM 0 HG SER A 585 3.466 -11.687 2.957 1.00 0.00 H new ATOM 1246 N LYS A 586 3.478 -15.581 0.366 1.00 0.00 N ATOM 1247 CA LYS A 586 4.490 -16.613 0.222 1.00 0.00 C ATOM 1248 C LYS A 586 5.530 -16.226 -0.823 1.00 0.00 C ATOM 1249 O LYS A 586 6.681 -16.647 -0.671 1.00 0.00 O ATOM 1250 CB LYS A 586 3.833 -17.971 -0.083 1.00 0.00 C ATOM 1251 CG LYS A 586 3.969 -18.896 1.133 1.00 0.00 C ATOM 1252 CD LYS A 586 3.122 -20.169 1.033 1.00 0.00 C ATOM 1253 CE LYS A 586 3.248 -20.905 2.374 1.00 0.00 C ATOM 1254 NZ LYS A 586 2.180 -21.901 2.606 1.00 0.00 N ATOM 0 H LYS A 586 2.526 -15.883 0.158 1.00 0.00 H new ATOM 0 HA LYS A 586 5.022 -16.712 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 586 2.780 -17.830 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.305 -18.427 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.016 -19.175 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 586 3.681 -18.348 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 586 2.081 -19.923 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 586 3.470 -20.799 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 586 4.215 -21.406 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 586 3.234 -20.174 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 2.327 -22.359 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 1.255 -21.426 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 2.206 -22.619 1.854 1.00 0.00 H new ATOM 1268 N GLU A 587 5.167 -15.449 -1.847 1.00 0.00 N ATOM 1269 CA GLU A 587 6.135 -15.149 -2.892 1.00 0.00 C ATOM 1270 C GLU A 587 7.152 -14.078 -2.435 1.00 0.00 C ATOM 1271 O GLU A 587 6.893 -13.311 -1.502 1.00 0.00 O ATOM 1272 CB GLU A 587 5.433 -14.835 -4.218 1.00 0.00 C ATOM 1273 CG GLU A 587 5.073 -13.363 -4.379 1.00 0.00 C ATOM 1274 CD GLU A 587 3.893 -13.244 -5.345 1.00 0.00 C ATOM 1275 OE1 GLU A 587 4.114 -13.380 -6.570 1.00 0.00 O ATOM 1276 OE2 GLU A 587 2.732 -13.117 -4.897 1.00 0.00 O ATOM 0 H GLU A 587 4.244 -15.032 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 587 6.734 -16.039 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 587 6.079 -15.136 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.525 -15.433 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 587 4.814 -12.930 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 587 5.929 -12.805 -4.759 1.00 0.00 H new ATOM 1283 N PRO A 588 8.341 -14.026 -3.055 1.00 0.00 N ATOM 1284 CA PRO A 588 9.422 -13.134 -2.664 1.00 0.00 C ATOM 1285 C PRO A 588 9.149 -11.673 -3.019 1.00 0.00 C ATOM 1286 O PRO A 588 8.366 -11.349 -3.908 1.00 0.00 O ATOM 1287 CB PRO A 588 10.684 -13.654 -3.353 1.00 0.00 C ATOM 1288 CG PRO A 588 10.233 -14.769 -4.293 1.00 0.00 C ATOM 1289 CD PRO A 588 8.721 -14.872 -4.162 1.00 0.00 C ATOM 0 HA PRO A 588 9.532 -13.137 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.181 -12.857 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 588 11.400 -14.029 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.517 -14.546 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.709 -15.713 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.230 -14.551 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.418 -15.903 -3.983 1.00 0.00 H new ATOM 1297 N VAL A 589 9.874 -10.784 -2.345 1.00 0.00 N ATOM 1298 CA VAL A 589 9.754 -9.339 -2.512 1.00 0.00 C ATOM 1299 C VAL A 589 10.184 -8.974 -3.936 1.00 0.00 C ATOM 1300 O VAL A 589 9.535 -8.163 -4.590 1.00 0.00 O ATOM 1301 CB VAL A 589 10.618 -8.602 -1.451 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.438 -7.078 -1.495 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.339 -9.031 -0.004 1.00 0.00 C ATOM 0 H VAL A 589 10.575 -11.053 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 589 8.720 -9.027 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 589 11.634 -8.886 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 589 11.065 -6.615 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.727 -6.706 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.394 -6.829 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.983 -8.469 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.295 -8.832 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.540 -10.097 0.105 1.00 0.00 H new ATOM 1313 N ALA A 590 11.258 -9.591 -4.441 1.00 0.00 N ATOM 1314 CA ALA A 590 11.732 -9.330 -5.798 1.00 0.00 C ATOM 1315 C ALA A 590 10.670 -9.721 -6.839 1.00 0.00 C ATOM 1316 O ALA A 590 10.488 -9.011 -7.825 1.00 0.00 O ATOM 1317 CB ALA A 590 13.059 -10.059 -6.028 1.00 0.00 C ATOM 0 H ALA A 590 11.814 -10.275 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 590 11.907 -8.261 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.411 -9.863 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.799 -9.703 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.913 -11.131 -5.896 1.00 0.00 H new ATOM 1323 N SER A 591 9.929 -10.803 -6.590 1.00 0.00 N ATOM 1324 CA SER A 591 8.903 -11.321 -7.479 1.00 0.00 C ATOM 1325 C SER A 591 7.743 -10.342 -7.613 1.00 0.00 C ATOM 1326 O SER A 591 7.328 -10.060 -8.740 1.00 0.00 O ATOM 1327 CB SER A 591 8.427 -12.666 -6.930 1.00 0.00 C ATOM 1328 OG SER A 591 9.099 -13.733 -7.574 1.00 0.00 O ATOM 0 H SER A 591 10.034 -11.354 -5.738 1.00 0.00 H new ATOM 0 HA SER A 591 9.318 -11.456 -8.478 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.607 -12.711 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.351 -12.765 -7.077 1.00 0.00 H new ATOM 0 HG SER A 591 8.783 -14.586 -7.209 1.00 0.00 H new ATOM 1334 N ILE A 592 7.209 -9.820 -6.500 1.00 0.00 N ATOM 1335 CA ILE A 592 6.097 -8.881 -6.590 1.00 0.00 C ATOM 1336 C ILE A 592 6.576 -7.550 -7.177 1.00 0.00 C ATOM 1337 O ILE A 592 5.843 -6.902 -7.920 1.00 0.00 O ATOM 1338 CB ILE A 592 5.371 -8.722 -5.242 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.102 -7.833 -4.230 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.116 -10.079 -4.582 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.484 -6.428 -4.218 1.00 0.00 C ATOM 0 H ILE A 592 7.523 -10.029 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 592 5.352 -9.286 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 592 4.433 -8.230 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.040 -8.274 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.160 -7.771 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.602 -9.931 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.497 -10.692 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.067 -10.582 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.011 -5.805 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.569 -5.985 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.432 -6.496 -3.940 1.00 0.00 H new ATOM 1353 N ILE A 593 7.826 -7.160 -6.900 1.00 0.00 N ATOM 1354 CA ILE A 593 8.437 -5.972 -7.474 1.00 0.00 C ATOM 1355 C ILE A 593 8.410 -6.113 -8.995 1.00 0.00 C ATOM 1356 O ILE A 593 7.835 -5.267 -9.672 1.00 0.00 O ATOM 1357 CB ILE A 593 9.846 -5.743 -6.866 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.687 -5.057 -5.491 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.777 -4.924 -7.779 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.984 -5.005 -4.677 1.00 0.00 C ATOM 0 H ILE A 593 8.441 -7.669 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 593 7.879 -5.069 -7.226 1.00 0.00 H new ATOM 0 HB ILE A 593 10.324 -6.716 -6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.321 -4.041 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.928 -5.587 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.745 -4.800 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.909 -5.447 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.336 -3.944 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.796 -4.510 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.340 -6.019 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.740 -4.449 -5.232 1.00 0.00 H new ATOM 1372 N THR A 594 8.963 -7.195 -9.546 1.00 0.00 N ATOM 1373 CA THR A 594 8.994 -7.453 -10.984 1.00 0.00 C ATOM 1374 C THR A 594 7.593 -7.481 -11.623 1.00 0.00 C ATOM 1375 O THR A 594 7.439 -7.241 -12.821 1.00 0.00 O ATOM 1376 CB THR A 594 9.844 -8.722 -11.204 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.997 -8.348 -11.925 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.146 -9.909 -11.870 1.00 0.00 C ATOM 0 H THR A 594 9.409 -7.928 -8.995 1.00 0.00 H new ATOM 0 HA THR A 594 9.467 -6.627 -11.515 1.00 0.00 H new ATOM 0 HB THR A 594 10.078 -9.107 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.558 -9.137 -12.078 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.849 -10.736 -11.968 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.299 -10.222 -11.260 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.792 -9.615 -12.858 1.00 0.00 H new ATOM 1386 N LYS A 595 6.573 -7.715 -10.807 1.00 0.00 N ATOM 1387 CA LYS A 595 5.161 -7.740 -11.184 1.00 0.00 C ATOM 1388 C LYS A 595 4.702 -6.295 -11.350 1.00 0.00 C ATOM 1389 O LYS A 595 4.286 -5.903 -12.435 1.00 0.00 O ATOM 1390 CB LYS A 595 4.353 -8.519 -10.128 1.00 0.00 C ATOM 1391 CG LYS A 595 3.578 -9.703 -10.720 1.00 0.00 C ATOM 1392 CD LYS A 595 2.150 -9.341 -11.147 1.00 0.00 C ATOM 1393 CE LYS A 595 1.408 -10.550 -11.735 1.00 0.00 C ATOM 1394 NZ LYS A 595 1.183 -11.643 -10.760 1.00 0.00 N ATOM 0 H LYS A 595 6.713 -7.902 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 595 5.002 -8.260 -12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.031 -8.885 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.653 -7.840 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 595 4.121 -10.089 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 595 3.537 -10.506 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 595 1.599 -8.959 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.183 -8.540 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 595 0.445 -10.220 -12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 595 1.978 -10.939 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 0.591 -12.380 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 2.097 -12.053 -10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 0.703 -11.264 -9.919 1.00 0.00 H new ATOM 1408 N LEU A 596 4.856 -5.489 -10.300 1.00 0.00 N ATOM 1409 CA LEU A 596 4.519 -4.069 -10.276 1.00 0.00 C ATOM 1410 C LEU A 596 5.238 -3.291 -11.376 1.00 0.00 C ATOM 1411 O LEU A 596 4.625 -2.472 -12.053 1.00 0.00 O ATOM 1412 CB LEU A 596 4.868 -3.479 -8.904 1.00 0.00 C ATOM 1413 CG LEU A 596 3.960 -3.971 -7.763 1.00 0.00 C ATOM 1414 CD1 LEU A 596 4.565 -3.544 -6.429 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.537 -3.411 -7.871 1.00 0.00 C ATOM 0 H LEU A 596 5.232 -5.820 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 596 3.448 -3.978 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 596 5.902 -3.728 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.807 -2.392 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 596 3.894 -5.057 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 596 3.928 -3.888 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 596 5.558 -3.981 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 596 4.642 -2.457 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 596 1.934 -3.787 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.570 -2.322 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.093 -3.725 -8.815 1.00 0.00 H new ATOM 1427 N ASN A 597 6.525 -3.551 -11.608 1.00 0.00 N ATOM 1428 CA ASN A 597 7.288 -2.785 -12.602 1.00 0.00 C ATOM 1429 C ASN A 597 6.745 -2.981 -14.011 1.00 0.00 C ATOM 1430 O ASN A 597 6.925 -2.118 -14.863 1.00 0.00 O ATOM 1431 CB ASN A 597 8.757 -3.195 -12.621 1.00 0.00 C ATOM 1432 CG ASN A 597 9.389 -3.127 -11.251 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.191 -2.198 -10.475 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.154 -4.141 -10.918 1.00 0.00 N ATOM 0 H ASN A 597 7.059 -4.277 -11.129 1.00 0.00 H new ATOM 0 HA ASN A 597 7.189 -1.741 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.844 -4.210 -13.009 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.304 -2.545 -13.304 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.596 -4.166 -9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.306 -4.904 -11.578 1.00 0.00 H new ATOM 1441 N SER A 598 6.108 -4.121 -14.262 1.00 0.00 N ATOM 1442 CA SER A 598 5.455 -4.458 -15.508 1.00 0.00 C ATOM 1443 C SER A 598 4.091 -3.744 -15.656 1.00 0.00 C ATOM 1444 O SER A 598 3.518 -3.758 -16.743 1.00 0.00 O ATOM 1445 CB SER A 598 5.279 -5.974 -15.471 1.00 0.00 C ATOM 1446 OG SER A 598 6.225 -6.628 -16.293 1.00 0.00 O ATOM 0 H SER A 598 6.034 -4.863 -13.567 1.00 0.00 H new ATOM 0 HA SER A 598 6.047 -4.134 -16.364 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.381 -6.328 -14.445 1.00 0.00 H new ATOM 0 HB3 SER A 598 4.272 -6.232 -15.798 1.00 0.00 H new ATOM 0 HG SER A 598 6.086 -7.597 -16.245 1.00 0.00 H new ATOM 1452 N LEU A 599 3.567 -3.137 -14.589 1.00 0.00 N ATOM 1453 CA LEU A 599 2.305 -2.393 -14.521 1.00 0.00 C ATOM 1454 C LEU A 599 2.571 -0.893 -14.653 1.00 0.00 C ATOM 1455 O LEU A 599 1.843 -0.225 -15.384 1.00 0.00 O ATOM 1456 CB LEU A 599 1.559 -2.690 -13.204 1.00 0.00 C ATOM 1457 CG LEU A 599 1.200 -4.163 -12.944 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.683 -4.364 -11.512 1.00 0.00 C ATOM 1459 CD2 LEU A 599 0.136 -4.658 -13.925 1.00 0.00 C ATOM 0 H LEU A 599 4.045 -3.153 -13.688 1.00 0.00 H new ATOM 0 HA LEU A 599 1.673 -2.716 -15.348 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.172 -2.335 -12.376 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.639 -2.106 -13.192 1.00 0.00 H new ATOM 0 HG LEU A 599 2.115 -4.739 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.437 -5.415 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.453 -4.063 -10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.209 -3.757 -11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.095 -5.702 -13.715 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.767 -4.057 -13.816 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.511 -4.568 -14.944 1.00 0.00 H new ATOM 1471 N ASN A 600 3.637 -0.379 -14.022 1.00 0.00 N ATOM 1472 CA ASN A 600 4.120 1.010 -14.130 1.00 0.00 C ATOM 1473 C ASN A 600 3.171 2.035 -13.518 1.00 0.00 C ATOM 1474 O ASN A 600 3.244 3.219 -13.848 1.00 0.00 O ATOM 1475 CB ASN A 600 4.490 1.406 -15.577 1.00 0.00 C ATOM 1476 CG ASN A 600 5.620 0.566 -16.120 1.00 0.00 C ATOM 1477 OD1 ASN A 600 6.790 0.898 -15.921 1.00 0.00 O ATOM 1478 ND2 ASN A 600 5.289 -0.525 -16.785 1.00 0.00 N ATOM 0 H ASN A 600 4.212 -0.942 -13.395 1.00 0.00 H new ATOM 0 HA ASN A 600 5.034 1.027 -13.536 1.00 0.00 H new ATOM 0 HB2 ASN A 600 3.615 1.296 -16.218 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.774 2.458 -15.604 1.00 0.00 H new ATOM 0 HD21 ASN A 600 6.016 -1.134 -17.159 1.00 0.00 H new ATOM 0 HD22 ASN A 600 4.306 -0.759 -16.925 1.00 0.00 H new ATOM 1485 N GLU A 601 2.263 1.614 -12.648 1.00 0.00 N ATOM 1486 CA GLU A 601 1.235 2.483 -12.102 1.00 0.00 C ATOM 1487 C GLU A 601 1.759 3.129 -10.810 1.00 0.00 C ATOM 1488 O GLU A 601 2.502 2.471 -10.075 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.054 1.695 -11.840 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.410 0.774 -13.017 1.00 0.00 C ATOM 1491 CD GLU A 601 -1.662 -0.037 -12.740 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -1.578 -0.972 -11.909 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -2.706 0.237 -13.372 1.00 0.00 O ATOM 0 H GLU A 601 2.220 0.656 -12.301 1.00 0.00 H new ATOM 0 HA GLU A 601 0.999 3.267 -12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.062 1.099 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.875 2.390 -11.661 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.557 1.373 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 601 0.423 0.100 -13.216 1.00 0.00 H new ATOM 1500 N PRO A 602 1.393 4.387 -10.513 1.00 0.00 N ATOM 1501 CA PRO A 602 1.784 5.075 -9.295 1.00 0.00 C ATOM 1502 C PRO A 602 1.182 4.387 -8.074 1.00 0.00 C ATOM 1503 O PRO A 602 -0.019 4.098 -8.035 1.00 0.00 O ATOM 1504 CB PRO A 602 1.273 6.512 -9.420 1.00 0.00 C ATOM 1505 CG PRO A 602 0.283 6.516 -10.587 1.00 0.00 C ATOM 1506 CD PRO A 602 0.471 5.180 -11.295 1.00 0.00 C ATOM 0 HA PRO A 602 2.866 5.059 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.789 6.834 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 602 2.096 7.202 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.741 6.629 -10.231 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.479 7.348 -11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.484 4.665 -11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.859 5.333 -12.302 1.00 0.00 H new ATOM 1514 N LEU A 603 2.016 4.184 -7.055 1.00 0.00 N ATOM 1515 CA LEU A 603 1.649 3.415 -5.875 1.00 0.00 C ATOM 1516 C LEU A 603 1.605 4.308 -4.647 1.00 0.00 C ATOM 1517 O LEU A 603 2.301 5.328 -4.560 1.00 0.00 O ATOM 1518 CB LEU A 603 2.661 2.287 -5.606 1.00 0.00 C ATOM 1519 CG LEU A 603 2.987 1.364 -6.788 1.00 0.00 C ATOM 1520 CD1 LEU A 603 4.042 0.363 -6.319 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.745 0.632 -7.300 1.00 0.00 C ATOM 0 H LEU A 603 2.967 4.551 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 603 0.665 2.987 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.591 2.738 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.280 1.674 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 603 3.361 1.960 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.296 -0.309 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.936 0.899 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.648 -0.216 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.020 -0.010 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.325 0.024 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 603 1.004 1.360 -7.630 1.00 0.00 H new ATOM 1533 N VAL A 604 0.872 3.855 -3.642 1.00 0.00 N ATOM 1534 CA VAL A 604 0.941 4.342 -2.278 1.00 0.00 C ATOM 1535 C VAL A 604 0.857 3.089 -1.409 1.00 0.00 C ATOM 1536 O VAL A 604 -0.123 2.350 -1.451 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.143 5.414 -2.038 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.556 4.952 -2.401 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.156 5.899 -0.586 1.00 0.00 C ATOM 0 H VAL A 604 0.187 3.109 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 604 1.862 4.870 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 604 0.133 6.230 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.264 5.758 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.592 4.686 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.821 4.083 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.934 6.653 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.357 5.057 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.813 6.333 -0.339 1.00 0.00 H new ATOM 1549 N THR A 605 1.930 2.771 -0.696 1.00 0.00 N ATOM 1550 CA THR A 605 1.984 1.578 0.142 1.00 0.00 C ATOM 1551 C THR A 605 3.001 1.746 1.277 1.00 0.00 C ATOM 1552 O THR A 605 3.694 2.758 1.398 1.00 0.00 O ATOM 1553 CB THR A 605 2.202 0.327 -0.738 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.077 -0.865 0.014 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.516 0.349 -1.528 1.00 0.00 C ATOM 0 H THR A 605 2.784 3.329 -0.681 1.00 0.00 H new ATOM 0 HA THR A 605 1.028 1.432 0.645 1.00 0.00 H new ATOM 0 HB THR A 605 1.405 0.350 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.363 -1.418 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.599 -0.561 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.529 1.216 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.356 0.408 -0.836 1.00 0.00 H new ATOM 1563 N MET A 606 3.024 0.758 2.160 1.00 0.00 N ATOM 1564 CA MET A 606 4.061 0.585 3.169 1.00 0.00 C ATOM 1565 C MET A 606 5.221 -0.165 2.495 1.00 0.00 C ATOM 1566 O MET A 606 5.045 -0.633 1.369 1.00 0.00 O ATOM 1567 CB MET A 606 3.457 -0.151 4.377 1.00 0.00 C ATOM 1568 CG MET A 606 2.320 0.666 5.023 1.00 0.00 C ATOM 1569 SD MET A 606 0.700 -0.148 5.172 1.00 0.00 S ATOM 1570 CE MET A 606 0.241 -0.368 3.432 1.00 0.00 C ATOM 0 H MET A 606 2.304 0.036 2.196 1.00 0.00 H new ATOM 0 HA MET A 606 4.450 1.528 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 606 3.075 -1.121 4.060 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.236 -0.341 5.116 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.642 0.965 6.021 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.188 1.580 4.444 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.817 -0.620 3.364 1.00 0.00 H new ATOM 0 HE2 MET A 606 0.429 0.557 2.886 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.835 -1.173 2.998 1.00 0.00 H new ATOM 1580 N PRO A 607 6.416 -0.268 3.103 1.00 0.00 N ATOM 1581 CA PRO A 607 7.605 -0.742 2.395 1.00 0.00 C ATOM 1582 C PRO A 607 7.570 -2.270 2.167 1.00 0.00 C ATOM 1583 O PRO A 607 8.285 -3.007 2.833 1.00 0.00 O ATOM 1584 CB PRO A 607 8.806 -0.239 3.226 1.00 0.00 C ATOM 1585 CG PRO A 607 8.221 0.734 4.243 1.00 0.00 C ATOM 1586 CD PRO A 607 6.786 0.263 4.407 1.00 0.00 C ATOM 0 HA PRO A 607 7.672 -0.349 1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.314 -1.066 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.543 0.253 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.764 0.701 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 607 8.267 1.763 3.885 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.706 -0.500 5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 607 6.131 1.084 4.700 1.00 0.00 H new ATOM 1594 N ILE A 608 6.694 -2.761 1.279 1.00 0.00 N ATOM 1595 CA ILE A 608 6.494 -4.124 0.780 1.00 0.00 C ATOM 1596 C ILE A 608 7.001 -5.190 1.753 1.00 0.00 C ATOM 1597 O ILE A 608 6.255 -5.654 2.619 1.00 0.00 O ATOM 1598 CB ILE A 608 7.060 -4.258 -0.652 1.00 0.00 C ATOM 1599 CG1 ILE A 608 6.461 -3.212 -1.619 1.00 0.00 C ATOM 1600 CG2 ILE A 608 6.885 -5.679 -1.223 1.00 0.00 C ATOM 1601 CD1 ILE A 608 4.937 -3.257 -1.816 1.00 0.00 C ATOM 0 H ILE A 608 6.025 -2.128 0.840 1.00 0.00 H new ATOM 0 HA ILE A 608 5.422 -4.312 0.716 1.00 0.00 H new ATOM 0 HB ILE A 608 8.129 -4.063 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 608 6.730 -2.219 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 608 6.935 -3.336 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 608 7.299 -5.720 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 608 7.407 -6.394 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 608 5.825 -5.930 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 608 4.637 -2.476 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 608 4.650 -4.230 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 608 4.441 -3.096 -0.859 1.00 0.00 H new ATOM 1613 N GLY A 609 8.261 -5.593 1.608 1.00 0.00 N ATOM 1614 CA GLY A 609 8.936 -6.516 2.480 1.00 0.00 C ATOM 1615 C GLY A 609 9.680 -5.683 3.497 1.00 0.00 C ATOM 1616 O GLY A 609 10.824 -5.339 3.268 1.00 0.00 O ATOM 0 H GLY A 609 8.853 -5.265 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.223 -7.179 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.624 -7.147 1.918 1.00 0.00 H new ATOM 1620 N TYR A 610 9.041 -5.379 4.616 1.00 0.00 N ATOM 1621 CA TYR A 610 9.597 -4.757 5.807 1.00 0.00 C ATOM 1622 C TYR A 610 9.225 -5.511 7.085 1.00 0.00 C ATOM 1623 O TYR A 610 10.068 -5.620 7.966 1.00 0.00 O ATOM 1624 CB TYR A 610 9.127 -3.301 5.837 1.00 0.00 C ATOM 1625 CG TYR A 610 9.406 -2.566 7.117 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.728 -2.295 7.492 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.341 -2.185 7.945 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.988 -1.632 8.698 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.591 -1.552 9.173 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.921 -1.279 9.557 1.00 0.00 C ATOM 1631 OH TYR A 610 10.169 -0.695 10.760 1.00 0.00 O ATOM 0 H TYR A 610 8.046 -5.576 4.723 1.00 0.00 H new ATOM 0 HA TYR A 610 10.686 -4.793 5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.605 -2.765 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 610 8.053 -3.278 5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.545 -2.596 6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.324 -2.379 7.637 1.00 0.00 H new ATOM 0 HE1 TYR A 610 12.004 -1.390 8.972 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.771 -1.276 9.819 1.00 0.00 H new ATOM 0 HH TYR A 610 9.321 -0.519 11.219 1.00 0.00 H new ATOM 1641 N VAL A 611 8.022 -6.079 7.173 1.00 0.00 N ATOM 1642 CA VAL A 611 7.481 -6.695 8.385 1.00 0.00 C ATOM 1643 C VAL A 611 6.864 -8.040 7.992 1.00 0.00 C ATOM 1644 O VAL A 611 7.393 -9.080 8.357 1.00 0.00 O ATOM 1645 CB VAL A 611 6.536 -5.681 9.087 1.00 0.00 C ATOM 1646 CG1 VAL A 611 5.398 -6.246 9.947 1.00 0.00 C ATOM 1647 CG2 VAL A 611 7.340 -4.745 9.999 1.00 0.00 C ATOM 0 H VAL A 611 7.380 -6.125 6.382 1.00 0.00 H new ATOM 0 HA VAL A 611 8.239 -6.926 9.133 1.00 0.00 H new ATOM 0 HB VAL A 611 6.065 -5.185 8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 611 4.822 -5.425 10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 611 4.747 -6.863 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 611 5.816 -6.852 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 611 6.664 -4.040 10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 611 7.857 -5.332 10.758 1.00 0.00 H new ATOM 0 HG23 VAL A 611 8.070 -4.197 9.404 1.00 0.00 H new ATOM 1657 N THR A 612 5.834 -8.042 7.147 1.00 0.00 N ATOM 1658 CA THR A 612 5.105 -9.202 6.613 1.00 0.00 C ATOM 1659 C THR A 612 5.963 -10.279 5.896 1.00 0.00 C ATOM 1660 O THR A 612 5.423 -11.270 5.403 1.00 0.00 O ATOM 1661 CB THR A 612 4.007 -8.606 5.711 1.00 0.00 C ATOM 1662 OG1 THR A 612 3.026 -9.512 5.260 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.628 -7.918 4.485 1.00 0.00 C ATOM 0 H THR A 612 5.454 -7.166 6.787 1.00 0.00 H new ATOM 0 HA THR A 612 4.699 -9.785 7.440 1.00 0.00 H new ATOM 0 HB THR A 612 3.494 -7.896 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 612 2.920 -10.233 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.837 -7.504 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.288 -7.116 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.200 -8.646 3.910 1.00 0.00 H new ATOM 1671 N HIS A 613 7.276 -10.094 5.735 1.00 0.00 N ATOM 1672 CA HIS A 613 8.226 -11.078 5.204 1.00 0.00 C ATOM 1673 C HIS A 613 9.544 -11.044 6.019 1.00 0.00 C ATOM 1674 O HIS A 613 10.579 -11.521 5.549 1.00 0.00 O ATOM 1675 CB HIS A 613 8.514 -10.793 3.722 1.00 0.00 C ATOM 1676 CG HIS A 613 7.528 -11.149 2.658 1.00 0.00 C ATOM 1677 ND1 HIS A 613 6.156 -11.077 2.732 1.00 0.00 N ATOM 1678 CD2 HIS A 613 7.886 -11.482 1.381 1.00 0.00 C ATOM 1679 CE1 HIS A 613 5.697 -11.323 1.495 1.00 0.00 C ATOM 1680 NE2 HIS A 613 6.718 -11.614 0.666 1.00 0.00 N ATOM 0 H HIS A 613 7.728 -9.214 5.983 1.00 0.00 H new ATOM 0 HA HIS A 613 7.785 -12.071 5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 613 8.703 -9.723 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.446 -11.302 3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 613 5.598 -10.876 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.890 -11.615 1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 613 4.657 -11.292 1.205 1.00 0.00 H new ATOM 0 HE2 HIS A 613 6.639 -11.884 -0.315 1.00 0.00 H new ATOM 1689 N GLY A 614 9.542 -10.432 7.205 1.00 0.00 N ATOM 1690 CA GLY A 614 10.628 -10.457 8.165 1.00 0.00 C ATOM 1691 C GLY A 614 11.856 -9.595 7.854 1.00 0.00 C ATOM 1692 O GLY A 614 12.899 -9.863 8.453 1.00 0.00 O ATOM 0 H GLY A 614 8.745 -9.884 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.232 -10.145 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 614 10.959 -11.490 8.274 1.00 0.00 H new ATOM 1696 N PHE A 615 11.782 -8.613 6.948 1.00 0.00 N ATOM 1697 CA PHE A 615 12.940 -7.756 6.630 1.00 0.00 C ATOM 1698 C PHE A 615 13.216 -6.733 7.748 1.00 0.00 C ATOM 1699 O PHE A 615 12.629 -6.757 8.829 1.00 0.00 O ATOM 1700 CB PHE A 615 12.765 -7.089 5.243 1.00 0.00 C ATOM 1701 CG PHE A 615 13.260 -7.837 4.009 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.688 -9.183 4.046 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.194 -7.191 2.758 1.00 0.00 C ATOM 1704 CE1 PHE A 615 14.015 -9.853 2.852 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.564 -7.839 1.576 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.973 -9.181 1.619 1.00 0.00 C ATOM 0 H PHE A 615 10.938 -8.389 6.422 1.00 0.00 H new ATOM 0 HA PHE A 615 13.825 -8.389 6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.703 -6.886 5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.273 -6.125 5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.764 -9.699 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.849 -6.169 2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 615 14.301 -10.894 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.535 -7.310 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 615 14.253 -9.693 0.711 1.00 0.00 H new ATOM 1716 N ASN A 616 14.163 -5.834 7.482 1.00 0.00 N ATOM 1717 CA ASN A 616 14.485 -4.629 8.240 1.00 0.00 C ATOM 1718 C ASN A 616 14.137 -3.430 7.386 1.00 0.00 C ATOM 1719 O ASN A 616 13.894 -3.589 6.187 1.00 0.00 O ATOM 1720 CB ASN A 616 15.999 -4.593 8.489 1.00 0.00 C ATOM 1721 CG ASN A 616 16.457 -5.772 9.325 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.974 -5.952 10.439 1.00 0.00 O ATOM 1723 ND2 ASN A 616 17.373 -6.581 8.836 1.00 0.00 N ATOM 0 H ASN A 616 14.770 -5.939 6.669 1.00 0.00 H new ATOM 0 HA ASN A 616 13.937 -4.619 9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.525 -4.597 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.263 -3.664 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 616 17.696 -7.377 9.385 1.00 0.00 H new ATOM 0 HD22 ASN A 616 17.760 -6.411 7.908 1.00 0.00 H new ATOM 1730 N LEU A 617 14.207 -2.224 7.963 1.00 0.00 N ATOM 1731 CA LEU A 617 14.050 -0.999 7.182 1.00 0.00 C ATOM 1732 C LEU A 617 15.103 -1.023 6.071 1.00 0.00 C ATOM 1733 O LEU A 617 14.754 -0.840 4.911 1.00 0.00 O ATOM 1734 CB LEU A 617 14.097 0.279 8.065 1.00 0.00 C ATOM 1735 CG LEU A 617 13.433 1.512 7.394 1.00 0.00 C ATOM 1736 CD1 LEU A 617 14.100 1.807 6.089 1.00 0.00 C ATOM 1737 CD2 LEU A 617 11.902 1.421 7.306 1.00 0.00 C ATOM 0 H LEU A 617 14.370 -2.074 8.959 1.00 0.00 H new ATOM 0 HA LEU A 617 13.059 -0.961 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.598 0.076 9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.136 0.515 8.296 1.00 0.00 H new ATOM 0 HG LEU A 617 13.594 2.371 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 617 13.627 2.673 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 617 15.156 2.018 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 617 14.004 0.945 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 617 11.511 2.318 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 617 11.623 0.545 6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 617 11.484 1.335 8.309 1.00 0.00 H new ATOM 1749 N GLU A 618 16.358 -1.311 6.423 1.00 0.00 N ATOM 1750 CA GLU A 618 17.499 -1.351 5.515 1.00 0.00 C ATOM 1751 C GLU A 618 17.160 -2.152 4.250 1.00 0.00 C ATOM 1752 O GLU A 618 17.193 -1.614 3.144 1.00 0.00 O ATOM 1753 CB GLU A 618 18.682 -1.957 6.282 1.00 0.00 C ATOM 1754 CG GLU A 618 19.965 -2.006 5.449 1.00 0.00 C ATOM 1755 CD GLU A 618 21.098 -2.614 6.270 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.238 -3.859 6.256 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.826 -1.853 6.944 1.00 0.00 O ATOM 0 H GLU A 618 16.614 -1.531 7.386 1.00 0.00 H new ATOM 0 HA GLU A 618 17.761 -0.348 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.862 -1.373 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.423 -2.966 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.801 -2.597 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 618 20.237 -1.001 5.126 1.00 0.00 H new ATOM 1764 N GLU A 619 16.801 -3.428 4.422 1.00 0.00 N ATOM 1765 CA GLU A 619 16.490 -4.347 3.332 1.00 0.00 C ATOM 1766 C GLU A 619 15.267 -3.886 2.550 1.00 0.00 C ATOM 1767 O GLU A 619 15.228 -4.024 1.328 1.00 0.00 O ATOM 1768 CB GLU A 619 16.172 -5.746 3.883 1.00 0.00 C ATOM 1769 CG GLU A 619 17.231 -6.329 4.818 1.00 0.00 C ATOM 1770 CD GLU A 619 17.386 -7.835 4.600 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.875 -8.220 3.509 1.00 0.00 O ATOM 1772 OE2 GLU A 619 17.010 -8.637 5.486 1.00 0.00 O ATOM 0 H GLU A 619 16.718 -3.856 5.344 1.00 0.00 H new ATOM 0 HA GLU A 619 17.365 -4.371 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.222 -5.703 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.035 -6.428 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.186 -5.833 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 619 16.953 -6.135 5.854 1.00 0.00 H new ATOM 1779 N ALA A 620 14.252 -3.380 3.248 1.00 0.00 N ATOM 1780 CA ALA A 620 13.015 -2.947 2.641 1.00 0.00 C ATOM 1781 C ALA A 620 13.282 -1.758 1.719 1.00 0.00 C ATOM 1782 O ALA A 620 12.916 -1.825 0.550 1.00 0.00 O ATOM 1783 CB ALA A 620 12.006 -2.622 3.744 1.00 0.00 C ATOM 0 H ALA A 620 14.275 -3.262 4.261 1.00 0.00 H new ATOM 0 HA ALA A 620 12.589 -3.739 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.069 -2.294 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.827 -3.512 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.402 -1.828 4.377 1.00 0.00 H new ATOM 1789 N ALA A 621 13.951 -0.709 2.207 1.00 0.00 N ATOM 1790 CA ALA A 621 14.327 0.472 1.438 1.00 0.00 C ATOM 1791 C ALA A 621 15.186 0.082 0.229 1.00 0.00 C ATOM 1792 O ALA A 621 14.922 0.529 -0.881 1.00 0.00 O ATOM 1793 CB ALA A 621 15.087 1.448 2.347 1.00 0.00 C ATOM 0 H ALA A 621 14.254 -0.661 3.180 1.00 0.00 H new ATOM 0 HA ALA A 621 13.425 0.956 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.370 2.332 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.448 1.743 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.984 0.963 2.732 1.00 0.00 H new ATOM 1799 N ARG A 622 16.193 -0.781 0.391 1.00 0.00 N ATOM 1800 CA ARG A 622 17.013 -1.352 -0.621 1.00 0.00 C ATOM 1801 C ARG A 622 16.174 -2.088 -1.675 1.00 0.00 C ATOM 1802 O ARG A 622 16.412 -1.928 -2.869 1.00 0.00 O ATOM 1803 CB ARG A 622 17.971 -2.199 0.237 1.00 0.00 C ATOM 1804 CG ARG A 622 18.784 -3.137 -0.591 1.00 0.00 C ATOM 1805 CD ARG A 622 18.061 -4.467 -0.835 1.00 0.00 C ATOM 1806 NE ARG A 622 18.881 -5.625 -0.459 1.00 0.00 N ATOM 1807 CZ ARG A 622 19.480 -6.482 -1.285 1.00 0.00 C ATOM 1808 NH1 ARG A 622 19.534 -6.240 -2.591 1.00 0.00 N ATOM 1809 NH2 ARG A 622 20.032 -7.581 -0.787 1.00 0.00 N ATOM 0 H ARG A 622 16.458 -1.110 1.320 1.00 0.00 H new ATOM 0 HA ARG A 622 17.563 -0.662 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 622 18.636 -1.540 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 622 17.396 -2.767 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 622 19.013 -2.669 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 622 19.735 -3.328 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 622 17.132 -4.482 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 622 17.791 -4.543 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 622 19.005 -5.791 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 622 19.114 -5.391 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 622 19.995 -6.903 -3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 622 19.994 -7.761 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 622 20.494 -8.246 -1.407 1.00 0.00 H new ATOM 1823 N CYS A 623 15.190 -2.889 -1.269 1.00 0.00 N ATOM 1824 CA CYS A 623 14.271 -3.533 -2.197 1.00 0.00 C ATOM 1825 C CYS A 623 13.420 -2.486 -2.925 1.00 0.00 C ATOM 1826 O CYS A 623 13.221 -2.602 -4.133 1.00 0.00 O ATOM 1827 CB CYS A 623 13.421 -4.574 -1.443 1.00 0.00 C ATOM 1828 SG CYS A 623 14.055 -6.238 -1.797 1.00 0.00 S ATOM 0 H CYS A 623 15.010 -3.107 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 623 14.832 -4.064 -2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.455 -4.380 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.377 -4.498 -1.748 1.00 0.00 H new ATOM 0 HG CYS A 623 13.223 -7.126 -1.338 1.00 0.00 H new ATOM 1834 N MET A 624 12.940 -1.461 -2.222 1.00 0.00 N ATOM 1835 CA MET A 624 12.112 -0.383 -2.753 1.00 0.00 C ATOM 1836 C MET A 624 12.858 0.420 -3.817 1.00 0.00 C ATOM 1837 O MET A 624 12.302 0.644 -4.890 1.00 0.00 O ATOM 1838 CB MET A 624 11.642 0.511 -1.605 1.00 0.00 C ATOM 1839 CG MET A 624 10.591 -0.196 -0.736 1.00 0.00 C ATOM 1840 SD MET A 624 8.903 -0.178 -1.386 1.00 0.00 S ATOM 1841 CE MET A 624 8.682 1.615 -1.379 1.00 0.00 C ATOM 0 H MET A 624 13.126 -1.356 -1.225 1.00 0.00 H new ATOM 0 HA MET A 624 11.239 -0.817 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.496 0.793 -0.989 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.222 1.433 -2.008 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.897 -1.233 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.587 0.270 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.620 1.850 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.204 2.043 -0.523 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.088 2.035 -2.299 1.00 0.00 H new ATOM 1851 N ARG A 625 14.137 0.747 -3.601 1.00 0.00 N ATOM 1852 CA ARG A 625 15.025 1.286 -4.633 1.00 0.00 C ATOM 1853 C ARG A 625 15.060 0.450 -5.911 1.00 0.00 C ATOM 1854 O ARG A 625 15.501 0.969 -6.937 1.00 0.00 O ATOM 1855 CB ARG A 625 16.454 1.383 -4.111 1.00 0.00 C ATOM 1856 CG ARG A 625 16.639 2.475 -3.057 1.00 0.00 C ATOM 1857 CD ARG A 625 18.020 2.323 -2.431 1.00 0.00 C ATOM 1858 NE ARG A 625 19.070 2.331 -3.461 1.00 0.00 N ATOM 1859 CZ ARG A 625 19.933 3.309 -3.722 1.00 0.00 C ATOM 1860 NH1 ARG A 625 20.061 4.348 -2.907 1.00 0.00 N ATOM 1861 NH2 ARG A 625 20.677 3.237 -4.814 1.00 0.00 N ATOM 0 H ARG A 625 14.589 0.643 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 625 14.617 2.267 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.744 0.423 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.127 1.576 -4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.537 3.460 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.867 2.396 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.194 3.134 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.067 1.392 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 625 19.145 1.494 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 625 19.492 4.407 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 625 20.729 5.088 -3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 625 20.584 2.439 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 625 21.343 3.979 -5.027 1.00 0.00 H new ATOM 1875 N SER A 626 14.697 -0.832 -5.876 1.00 0.00 N ATOM 1876 CA SER A 626 14.716 -1.711 -7.036 1.00 0.00 C ATOM 1877 C SER A 626 13.333 -1.805 -7.691 1.00 0.00 C ATOM 1878 O SER A 626 13.171 -2.495 -8.699 1.00 0.00 O ATOM 1879 CB SER A 626 15.300 -3.068 -6.616 1.00 0.00 C ATOM 1880 OG SER A 626 16.004 -3.684 -7.682 1.00 0.00 O ATOM 0 H SER A 626 14.377 -1.293 -5.024 1.00 0.00 H new ATOM 0 HA SER A 626 15.361 -1.300 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 626 15.971 -2.930 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.496 -3.724 -6.283 1.00 0.00 H new ATOM 0 HG SER A 626 16.364 -4.545 -7.382 1.00 0.00 H new ATOM 1886 N LEU A 627 12.328 -1.110 -7.154 1.00 0.00 N ATOM 1887 CA LEU A 627 11.069 -0.866 -7.826 1.00 0.00 C ATOM 1888 C LEU A 627 11.244 0.290 -8.827 1.00 0.00 C ATOM 1889 O LEU A 627 12.089 1.175 -8.669 1.00 0.00 O ATOM 1890 CB LEU A 627 10.008 -0.553 -6.766 1.00 0.00 C ATOM 1891 CG LEU A 627 8.595 -0.562 -7.363 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.923 -1.928 -7.323 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.724 0.450 -6.620 1.00 0.00 C ATOM 0 H LEU A 627 12.376 -0.697 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 627 10.745 -1.742 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.069 -1.286 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.211 0.422 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 627 8.700 -0.295 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.928 -1.857 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.519 -2.643 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.840 -2.263 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.719 0.445 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.675 0.182 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.156 1.446 -6.722 1.00 0.00 H new ATOM 1905 N LYS A 628 10.432 0.267 -9.881 1.00 0.00 N ATOM 1906 CA LYS A 628 10.609 0.985 -11.137 1.00 0.00 C ATOM 1907 C LYS A 628 9.352 1.808 -11.441 1.00 0.00 C ATOM 1908 O LYS A 628 9.275 2.405 -12.514 1.00 0.00 O ATOM 1909 CB LYS A 628 10.969 0.003 -12.274 1.00 0.00 C ATOM 1910 CG LYS A 628 12.024 -0.983 -11.752 1.00 0.00 C ATOM 1911 CD LYS A 628 12.561 -2.080 -12.660 1.00 0.00 C ATOM 1912 CE LYS A 628 13.268 -2.946 -11.617 1.00 0.00 C ATOM 1913 NZ LYS A 628 13.807 -4.220 -12.137 1.00 0.00 N ATOM 0 H LYS A 628 9.578 -0.290 -9.879 1.00 0.00 H new ATOM 0 HA LYS A 628 11.443 1.681 -11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.080 -0.534 -12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.353 0.547 -13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.878 -0.395 -11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 628 11.605 -1.469 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 628 11.769 -2.616 -13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.243 -1.699 -13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 628 14.086 -2.372 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 628 12.568 -3.165 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 14.268 -4.743 -11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 13.031 -4.792 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 14.502 -4.023 -12.886 1.00 0.00 H new ATOM 1927 N ALA A 629 8.371 1.834 -10.530 1.00 0.00 N ATOM 1928 CA ALA A 629 7.238 2.754 -10.527 1.00 0.00 C ATOM 1929 C ALA A 629 7.328 3.629 -9.266 1.00 0.00 C ATOM 1930 O ALA A 629 7.974 3.210 -8.303 1.00 0.00 O ATOM 1931 CB ALA A 629 5.938 1.940 -10.548 1.00 0.00 C ATOM 0 H ALA A 629 8.349 1.185 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 629 7.252 3.400 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.084 2.618 -10.546 1.00 0.00 H new ATOM 0 HB2 ALA A 629 5.909 1.323 -11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 629 5.895 1.300 -9.667 1.00 0.00 H new ATOM 1937 N PRO A 630 6.701 4.818 -9.237 1.00 0.00 N ATOM 1938 CA PRO A 630 6.663 5.651 -8.047 1.00 0.00 C ATOM 1939 C PRO A 630 5.874 4.991 -6.935 1.00 0.00 C ATOM 1940 O PRO A 630 4.804 4.432 -7.164 1.00 0.00 O ATOM 1941 CB PRO A 630 5.996 6.969 -8.440 1.00 0.00 C ATOM 1942 CG PRO A 630 5.422 6.749 -9.834 1.00 0.00 C ATOM 1943 CD PRO A 630 6.068 5.474 -10.363 1.00 0.00 C ATOM 0 HA PRO A 630 7.675 5.810 -7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 630 5.211 7.235 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.717 7.787 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.337 6.649 -9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.642 7.596 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.321 4.824 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.801 5.706 -11.136 1.00 0.00 H new ATOM 1951 N ALA A 631 6.350 5.168 -5.710 1.00 0.00 N ATOM 1952 CA ALA A 631 5.744 4.676 -4.503 1.00 0.00 C ATOM 1953 C ALA A 631 5.913 5.764 -3.458 1.00 0.00 C ATOM 1954 O ALA A 631 7.039 6.089 -3.075 1.00 0.00 O ATOM 1955 CB ALA A 631 6.424 3.363 -4.108 1.00 0.00 C ATOM 0 H ALA A 631 7.211 5.685 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 631 4.682 4.458 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.972 2.980 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.298 2.633 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.487 3.539 -3.942 1.00 0.00 H new ATOM 1961 N VAL A 632 4.798 6.342 -3.024 1.00 0.00 N ATOM 1962 CA VAL A 632 4.712 6.974 -1.708 1.00 0.00 C ATOM 1963 C VAL A 632 4.911 5.861 -0.668 1.00 0.00 C ATOM 1964 O VAL A 632 4.427 4.742 -0.875 1.00 0.00 O ATOM 1965 CB VAL A 632 3.360 7.707 -1.568 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.043 8.156 -0.138 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.357 8.973 -2.430 1.00 0.00 C ATOM 0 H VAL A 632 3.935 6.387 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 632 5.479 7.735 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 632 2.610 6.981 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.078 8.663 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.007 7.286 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.818 8.840 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.399 9.483 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.159 9.636 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.511 8.702 -3.475 1.00 0.00 H new ATOM 1977 N VAL A 633 5.633 6.158 0.419 1.00 0.00 N ATOM 1978 CA VAL A 633 6.159 5.167 1.365 1.00 0.00 C ATOM 1979 C VAL A 633 5.876 5.596 2.801 1.00 0.00 C ATOM 1980 O VAL A 633 5.967 6.786 3.095 1.00 0.00 O ATOM 1981 CB VAL A 633 7.661 4.950 1.120 1.00 0.00 C ATOM 1982 CG1 VAL A 633 8.157 3.717 1.870 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.969 4.723 -0.351 1.00 0.00 C ATOM 0 H VAL A 633 5.873 7.117 0.671 1.00 0.00 H new ATOM 0 HA VAL A 633 5.653 4.215 1.204 1.00 0.00 H new ATOM 0 HB VAL A 633 8.159 5.854 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 633 9.222 3.581 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.990 3.850 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.613 2.838 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.041 4.574 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.435 3.840 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.652 5.592 -0.927 1.00 0.00 H new ATOM 1993 N SER A 634 5.545 4.639 3.676 1.00 0.00 N ATOM 1994 CA SER A 634 4.870 4.931 4.939 1.00 0.00 C ATOM 1995 C SER A 634 5.229 3.974 6.098 1.00 0.00 C ATOM 1996 O SER A 634 4.682 2.870 6.203 1.00 0.00 O ATOM 1997 CB SER A 634 3.368 4.959 4.635 1.00 0.00 C ATOM 1998 OG SER A 634 2.719 5.887 5.470 1.00 0.00 O ATOM 0 H SER A 634 5.737 3.648 3.527 1.00 0.00 H new ATOM 0 HA SER A 634 5.214 5.895 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 634 3.206 5.224 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.942 3.967 4.782 1.00 0.00 H new ATOM 0 HG SER A 634 2.536 5.473 6.339 1.00 0.00 H new ATOM 2004 N VAL A 635 6.114 4.420 6.998 1.00 0.00 N ATOM 2005 CA VAL A 635 6.340 3.855 8.336 1.00 0.00 C ATOM 2006 C VAL A 635 5.244 4.296 9.324 1.00 0.00 C ATOM 2007 O VAL A 635 4.383 5.116 9.002 1.00 0.00 O ATOM 2008 CB VAL A 635 7.737 4.237 8.894 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.923 3.564 8.187 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.934 5.756 8.912 1.00 0.00 C ATOM 0 H VAL A 635 6.719 5.219 6.806 1.00 0.00 H new ATOM 0 HA VAL A 635 6.299 2.771 8.229 1.00 0.00 H new ATOM 0 HB VAL A 635 7.736 3.849 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.855 3.893 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.835 2.481 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.922 3.839 7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.922 5.990 9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.848 6.146 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.172 6.214 9.543 1.00 0.00 H new ATOM 2020 N SER A 636 5.318 3.782 10.555 1.00 0.00 N ATOM 2021 CA SER A 636 4.443 4.073 11.684 1.00 0.00 C ATOM 2022 C SER A 636 5.093 4.999 12.729 1.00 0.00 C ATOM 2023 O SER A 636 4.649 5.042 13.882 1.00 0.00 O ATOM 2024 CB SER A 636 3.962 2.752 12.308 1.00 0.00 C ATOM 2025 OG SER A 636 4.876 1.677 12.134 1.00 0.00 O ATOM 0 H SER A 636 6.041 3.106 10.801 1.00 0.00 H new ATOM 0 HA SER A 636 3.583 4.627 11.309 1.00 0.00 H new ATOM 0 HB2 SER A 636 3.791 2.904 13.374 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.004 2.479 11.867 1.00 0.00 H new ATOM 0 HG SER A 636 4.514 0.869 12.553 1.00 0.00 H new ATOM 2031 N SER A 637 6.175 5.703 12.393 1.00 0.00 N ATOM 2032 CA SER A 637 6.781 6.697 13.275 1.00 0.00 C ATOM 2033 C SER A 637 7.463 7.774 12.431 1.00 0.00 C ATOM 2034 O SER A 637 7.920 7.483 11.330 1.00 0.00 O ATOM 2035 CB SER A 637 7.771 6.050 14.267 1.00 0.00 C ATOM 2036 OG SER A 637 8.152 4.722 13.925 1.00 0.00 O ATOM 0 H SER A 637 6.655 5.598 11.499 1.00 0.00 H new ATOM 0 HA SER A 637 5.996 7.158 13.874 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.666 6.669 14.326 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.321 6.043 15.260 1.00 0.00 H new ATOM 0 HG SER A 637 8.779 4.379 14.595 1.00 0.00 H new ATOM 2042 N PRO A 638 7.577 9.015 12.923 1.00 0.00 N ATOM 2043 CA PRO A 638 8.270 10.076 12.205 1.00 0.00 C ATOM 2044 C PRO A 638 9.763 9.742 12.110 1.00 0.00 C ATOM 2045 O PRO A 638 10.365 9.832 11.045 1.00 0.00 O ATOM 2046 CB PRO A 638 7.984 11.348 13.010 1.00 0.00 C ATOM 2047 CG PRO A 638 7.715 10.843 14.431 1.00 0.00 C ATOM 2048 CD PRO A 638 7.131 9.450 14.235 1.00 0.00 C ATOM 0 HA PRO A 638 7.935 10.201 11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.831 12.034 12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 638 7.125 11.887 12.610 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.631 10.810 15.021 1.00 0.00 H new ATOM 0 HG3 PRO A 638 7.019 11.495 14.959 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.477 8.768 15.012 1.00 0.00 H new ATOM 0 HD3 PRO A 638 6.043 9.471 14.291 1.00 0.00 H new ATOM 2056 N ASP A 639 10.343 9.269 13.214 1.00 0.00 N ATOM 2057 CA ASP A 639 11.782 9.095 13.415 1.00 0.00 C ATOM 2058 C ASP A 639 12.434 8.043 12.515 1.00 0.00 C ATOM 2059 O ASP A 639 13.657 7.921 12.439 1.00 0.00 O ATOM 2060 CB ASP A 639 11.997 8.698 14.876 1.00 0.00 C ATOM 2061 CG ASP A 639 13.392 9.055 15.386 1.00 0.00 C ATOM 2062 OD1 ASP A 639 14.036 9.991 14.858 1.00 0.00 O ATOM 2063 OD2 ASP A 639 13.871 8.430 16.355 1.00 0.00 O ATOM 0 H ASP A 639 9.799 8.984 14.028 1.00 0.00 H new ATOM 0 HA ASP A 639 12.258 10.040 13.153 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.250 9.194 15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 639 11.839 7.625 14.983 1.00 0.00 H new ATOM 2068 N ALA A 640 11.599 7.251 11.857 1.00 0.00 N ATOM 2069 CA ALA A 640 11.976 6.206 10.912 1.00 0.00 C ATOM 2070 C ALA A 640 11.944 6.694 9.465 1.00 0.00 C ATOM 2071 O ALA A 640 12.644 6.126 8.628 1.00 0.00 O ATOM 2072 CB ALA A 640 11.077 4.988 11.116 1.00 0.00 C ATOM 0 H ALA A 640 10.588 7.323 11.973 1.00 0.00 H new ATOM 0 HA ALA A 640 13.010 5.922 11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.358 4.206 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 640 11.193 4.617 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 640 10.038 5.271 10.949 1.00 0.00 H new ATOM 2078 N VAL A 641 11.216 7.773 9.157 1.00 0.00 N ATOM 2079 CA VAL A 641 11.297 8.417 7.848 1.00 0.00 C ATOM 2080 C VAL A 641 12.729 8.917 7.633 1.00 0.00 C ATOM 2081 O VAL A 641 13.249 8.816 6.522 1.00 0.00 O ATOM 2082 CB VAL A 641 10.255 9.554 7.730 1.00 0.00 C ATOM 2083 CG1 VAL A 641 10.305 10.237 6.354 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.835 9.008 7.920 1.00 0.00 C ATOM 0 H VAL A 641 10.562 8.218 9.802 1.00 0.00 H new ATOM 0 HA VAL A 641 11.059 7.699 7.063 1.00 0.00 H new ATOM 0 HB VAL A 641 10.501 10.277 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.557 11.029 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 641 11.295 10.664 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 641 10.098 9.503 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 641 8.117 9.824 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.628 8.259 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.749 8.552 8.907 1.00 0.00 H new ATOM 2094 N THR A 642 13.395 9.366 8.694 1.00 0.00 N ATOM 2095 CA THR A 642 14.754 9.844 8.669 1.00 0.00 C ATOM 2096 C THR A 642 15.677 8.681 8.328 1.00 0.00 C ATOM 2097 O THR A 642 16.483 8.793 7.403 1.00 0.00 O ATOM 2098 CB THR A 642 15.029 10.431 10.058 1.00 0.00 C ATOM 2099 OG1 THR A 642 14.248 11.597 10.233 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.494 10.799 10.259 1.00 0.00 C ATOM 0 H THR A 642 12.978 9.404 9.624 1.00 0.00 H new ATOM 0 HA THR A 642 14.924 10.612 7.915 1.00 0.00 H new ATOM 0 HB THR A 642 14.771 9.664 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.419 11.975 11.121 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.632 11.210 11.259 1.00 0.00 H new ATOM 0 HG22 THR A 642 17.112 9.908 10.144 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.787 11.542 9.518 1.00 0.00 H new ATOM 2108 N THR A 643 15.531 7.550 9.032 1.00 0.00 N ATOM 2109 CA THR A 643 16.370 6.388 8.791 1.00 0.00 C ATOM 2110 C THR A 643 16.253 5.976 7.329 1.00 0.00 C ATOM 2111 O THR A 643 17.251 5.697 6.661 1.00 0.00 O ATOM 2112 CB THR A 643 15.977 5.203 9.695 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.482 5.684 10.936 1.00 0.00 O ATOM 2114 CG2 THR A 643 17.199 4.340 10.013 1.00 0.00 C ATOM 0 H THR A 643 14.838 7.424 9.770 1.00 0.00 H new ATOM 0 HA THR A 643 17.399 6.659 9.026 1.00 0.00 H new ATOM 0 HB THR A 643 15.222 4.622 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 643 15.233 4.926 11.505 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.901 3.509 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 643 17.621 3.952 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.947 4.944 10.528 1.00 0.00 H new ATOM 2122 N TYR A 644 15.012 5.970 6.847 1.00 0.00 N ATOM 2123 CA TYR A 644 14.645 5.559 5.519 1.00 0.00 C ATOM 2124 C TYR A 644 15.335 6.415 4.461 1.00 0.00 C ATOM 2125 O TYR A 644 16.012 5.880 3.582 1.00 0.00 O ATOM 2126 CB TYR A 644 13.113 5.522 5.440 1.00 0.00 C ATOM 2127 CG TYR A 644 12.596 4.823 4.214 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.625 5.440 2.951 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.133 3.507 4.355 1.00 0.00 C ATOM 2130 CE1 TYR A 644 12.224 4.717 1.819 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.750 2.770 3.221 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.813 3.372 1.942 1.00 0.00 C ATOM 2133 OH TYR A 644 11.456 2.665 0.837 1.00 0.00 O ATOM 0 H TYR A 644 14.211 6.266 7.405 1.00 0.00 H new ATOM 0 HA TYR A 644 15.001 4.552 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.723 5.022 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.731 6.543 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.954 6.464 2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.071 3.059 5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 644 12.229 5.191 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.410 1.750 3.325 1.00 0.00 H new ATOM 0 HH TYR A 644 12.213 2.625 0.216 1.00 0.00 H new ATOM 2143 N ASN A 645 15.243 7.742 4.575 1.00 0.00 N ATOM 2144 CA ASN A 645 15.925 8.660 3.672 1.00 0.00 C ATOM 2145 C ASN A 645 17.432 8.453 3.719 1.00 0.00 C ATOM 2146 O ASN A 645 18.095 8.598 2.697 1.00 0.00 O ATOM 2147 CB ASN A 645 15.633 10.114 4.072 1.00 0.00 C ATOM 2148 CG ASN A 645 15.188 10.908 2.872 1.00 0.00 C ATOM 2149 OD1 ASN A 645 15.987 11.373 2.067 1.00 0.00 O ATOM 2150 ND2 ASN A 645 13.891 11.077 2.741 1.00 0.00 N ATOM 0 H ASN A 645 14.693 8.206 5.297 1.00 0.00 H new ATOM 0 HA ASN A 645 15.558 8.460 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.860 10.139 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 645 16.526 10.566 4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 645 13.523 11.608 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 645 13.253 10.677 3.429 1.00 0.00 H new ATOM 2157 N GLY A 646 17.960 8.102 4.893 1.00 0.00 N ATOM 2158 CA GLY A 646 19.350 7.764 5.120 1.00 0.00 C ATOM 2159 C GLY A 646 19.783 6.641 4.186 1.00 0.00 C ATOM 2160 O GLY A 646 20.745 6.818 3.438 1.00 0.00 O ATOM 0 H GLY A 646 17.399 8.046 5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.975 8.642 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 646 19.492 7.458 6.157 1.00 0.00 H new ATOM 2164 N TYR A 647 19.059 5.516 4.182 1.00 0.00 N ATOM 2165 CA TYR A 647 19.351 4.390 3.297 1.00 0.00 C ATOM 2166 C TYR A 647 19.256 4.841 1.835 1.00 0.00 C ATOM 2167 O TYR A 647 20.141 4.540 1.031 1.00 0.00 O ATOM 2168 CB TYR A 647 18.422 3.199 3.589 1.00 0.00 C ATOM 2169 CG TYR A 647 18.454 2.682 5.016 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.616 2.076 5.532 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.315 2.776 5.833 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.642 1.600 6.857 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.341 2.341 7.159 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.506 1.743 7.685 1.00 0.00 C ATOM 2175 OH TYR A 647 18.518 1.324 8.977 1.00 0.00 O ATOM 0 H TYR A 647 18.256 5.364 4.792 1.00 0.00 H new ATOM 0 HA TYR A 647 20.369 4.048 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.399 3.490 3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.686 2.381 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.492 1.976 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.404 3.192 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.532 1.125 7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.468 2.462 7.783 1.00 0.00 H new ATOM 0 HH TYR A 647 17.647 1.507 9.388 1.00 0.00 H new ATOM 2185 N LEU A 648 18.234 5.638 1.496 1.00 0.00 N ATOM 2186 CA LEU A 648 18.042 6.091 0.119 1.00 0.00 C ATOM 2187 C LEU A 648 19.184 6.998 -0.341 1.00 0.00 C ATOM 2188 O LEU A 648 19.608 6.890 -1.489 1.00 0.00 O ATOM 2189 CB LEU A 648 16.689 6.800 -0.072 1.00 0.00 C ATOM 2190 CG LEU A 648 15.422 5.932 0.116 1.00 0.00 C ATOM 2191 CD1 LEU A 648 14.330 6.409 -0.840 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.615 4.440 -0.148 1.00 0.00 C ATOM 0 H LEU A 648 17.533 5.979 2.154 1.00 0.00 H new ATOM 0 HA LEU A 648 18.043 5.196 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.639 7.633 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.665 7.225 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 648 15.159 6.050 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.438 5.797 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 648 14.091 7.451 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.682 6.319 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.672 3.918 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.944 4.292 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 648 16.368 4.044 0.534 1.00 0.00 H new ATOM 2204 N THR A 649 19.684 7.871 0.535 1.00 0.00 N ATOM 2205 CA THR A 649 20.769 8.804 0.238 1.00 0.00 C ATOM 2206 C THR A 649 22.137 8.099 0.286 1.00 0.00 C ATOM 2207 O THR A 649 23.090 8.560 -0.344 1.00 0.00 O ATOM 2208 CB THR A 649 20.693 10.003 1.209 1.00 0.00 C ATOM 2209 OG1 THR A 649 19.376 10.535 1.255 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.615 11.162 0.820 1.00 0.00 C ATOM 0 H THR A 649 19.338 7.950 1.491 1.00 0.00 H new ATOM 0 HA THR A 649 20.655 9.181 -0.778 1.00 0.00 H new ATOM 0 HB THR A 649 21.005 9.601 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.794 9.925 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 649 21.510 11.969 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 649 22.649 10.816 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 649 21.343 11.527 -0.171 1.00 0.00 H new