USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=34 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 -154:sc= -0.214 (180deg=-1.17) USER MOD Set 1.2: A 644 TYR OH : rot 60:sc= -0.142 USER MOD Set 2.1: A 612 THR OG1 : rot 75:sc= 1.28 USER MOD Set 2.2: A 613 HIS : no HD1:sc= -0.105 K(o=1.2,f=-3.6!) USER MOD Set 3.1: A 594 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 557 MET CE :methyl -172:sc= -3.92 (180deg=-2.43) USER MOD Set 4.2: A 561 GLN : amide:sc= -4.1 K(o=-8,f=-13!) USER MOD Set 5.1: A 536 MET CE :methyl -160:sc= -0.478 (180deg=-0.862) USER MOD Set 5.2: A 606 MET CE :methyl -169:sc=-0.00869 (180deg=-0.00138) USER MOD Set 6.1: A 528 THR OG1 : rot 111:sc= 1.21 USER MOD Set 6.2: A 645 ASN : amide:sc= 0.872 K(o=2.1,f=-1.9!) USER MOD Single : A 530 SER OG : rot -120:sc= 0 USER MOD Single : A 532 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 539 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.0076) USER MOD Single : A 543 THR OG1 : rot -65:sc= 1.2 USER MOD Single : A 545 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0.809) USER MOD Single : A 547 MET CE :methyl 180:sc= -1.56 (180deg=-1.56) USER MOD Single : A 550 CYS SG : rot 76:sc= 0.119 USER MOD Single : A 551 MET CE :methyl 136:sc= -0.0703 (180deg=-0.463) USER MOD Single : A 559 THR OG1 : rot 78:sc= 0.33 USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 90:sc= -0.331 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN :FLIP amide:sc= -4.43! C(o=-5.3!,f=-4.4!) USER MOD Single : A 576 TYR OH : rot -43:sc= 0.536 USER MOD Single : A 583 TYR OH : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 585 SER OG : rot 180:sc= 0.0895 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 595 LYS NZ :NH3+ 154:sc= 1.23 (180deg=1.16) USER MOD Single : A 597 ASN : amide:sc= -3.19! C(o=-3.2!,f=-7!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.65) USER MOD Single : A 605 THR OG1 : rot 127:sc= 1.31 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 616 ASN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 623 CYS SG : rot 170:sc= -0.529 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 634 SER OG : rot 180:sc= 0 USER MOD Single : A 636 SER OG : rot 180:sc= 0 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 76:sc= 0.617 USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 80:sc= 0.561 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.070 17.255 -5.105 1.00 0.00 N ATOM 215 CA GLU A 524 0.179 15.860 -4.764 1.00 0.00 C ATOM 216 C GLU A 524 1.313 15.769 -3.754 1.00 0.00 C ATOM 217 O GLU A 524 2.002 16.751 -3.469 1.00 0.00 O ATOM 218 CB GLU A 524 0.490 15.058 -6.039 1.00 0.00 C ATOM 219 CG GLU A 524 -0.772 14.796 -6.865 1.00 0.00 C ATOM 220 CD GLU A 524 -0.421 14.263 -8.248 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.221 13.188 -8.338 1.00 0.00 O ATOM 222 OE2 GLU A 524 -0.796 14.920 -9.248 1.00 0.00 O ATOM 0 HA GLU A 524 -0.712 15.429 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 524 1.214 15.603 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 524 0.951 14.108 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -1.408 14.079 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -1.345 15.718 -6.962 1.00 0.00 H new ATOM 229 N ILE A 525 1.490 14.568 -3.210 1.00 0.00 N ATOM 230 CA ILE A 525 2.523 14.165 -2.281 1.00 0.00 C ATOM 231 C ILE A 525 3.217 12.958 -2.907 1.00 0.00 C ATOM 232 O ILE A 525 2.628 12.235 -3.724 1.00 0.00 O ATOM 233 CB ILE A 525 1.951 13.821 -0.893 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.642 14.563 -0.595 1.00 0.00 C ATOM 235 CG2 ILE A 525 2.987 14.183 0.183 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.582 13.756 -1.027 1.00 0.00 C ATOM 0 H ILE A 525 0.861 13.796 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 525 3.224 14.982 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 525 1.733 12.753 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 525 0.579 14.774 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.644 15.524 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.588 13.942 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.902 13.615 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.207 15.249 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -1.488 14.318 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.534 13.567 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -0.599 12.806 -0.492 1.00 0.00 H new ATOM 248 N LEU A 526 4.458 12.737 -2.503 1.00 0.00 N ATOM 249 CA LEU A 526 5.295 11.627 -2.928 1.00 0.00 C ATOM 250 C LEU A 526 6.335 11.333 -1.836 1.00 0.00 C ATOM 251 O LEU A 526 6.326 12.012 -0.804 1.00 0.00 O ATOM 252 CB LEU A 526 5.939 11.970 -4.277 1.00 0.00 C ATOM 253 CG LEU A 526 6.201 10.721 -5.139 1.00 0.00 C ATOM 254 CD1 LEU A 526 4.938 10.237 -5.862 1.00 0.00 C ATOM 255 CD2 LEU A 526 7.258 11.104 -6.159 1.00 0.00 C ATOM 0 H LEU A 526 4.929 13.353 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 526 4.703 10.723 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.289 12.655 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 526 6.880 12.493 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 526 6.527 9.901 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 526 5.175 9.355 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 526 4.172 9.986 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 526 4.568 11.027 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 526 7.477 10.247 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 526 6.890 11.927 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 526 8.166 11.414 -5.643 1.00 0.00 H new ATOM 267 N GLY A 527 7.253 10.388 -2.055 1.00 0.00 N ATOM 268 CA GLY A 527 8.366 10.140 -1.147 1.00 0.00 C ATOM 269 C GLY A 527 7.995 9.184 -0.021 1.00 0.00 C ATOM 270 O GLY A 527 6.949 8.529 -0.080 1.00 0.00 O ATOM 0 H GLY A 527 7.242 9.774 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.204 9.728 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.702 11.086 -0.721 1.00 0.00 H new ATOM 274 N THR A 528 8.861 9.078 0.992 1.00 0.00 N ATOM 275 CA THR A 528 8.513 8.382 2.223 1.00 0.00 C ATOM 276 C THR A 528 7.790 9.385 3.117 1.00 0.00 C ATOM 277 O THR A 528 8.227 10.537 3.223 1.00 0.00 O ATOM 278 CB THR A 528 9.767 7.831 2.922 1.00 0.00 C ATOM 279 OG1 THR A 528 10.676 7.304 1.975 1.00 0.00 O ATOM 280 CG2 THR A 528 9.389 6.727 3.918 1.00 0.00 C ATOM 0 H THR A 528 9.804 9.466 0.979 1.00 0.00 H new ATOM 0 HA THR A 528 7.873 7.526 2.008 1.00 0.00 H new ATOM 0 HB THR A 528 10.238 8.656 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 528 11.474 7.871 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.290 6.350 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.714 7.133 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.894 5.913 3.388 1.00 0.00 H new ATOM 288 N VAL A 529 6.721 8.955 3.779 1.00 0.00 N ATOM 289 CA VAL A 529 5.899 9.774 4.660 1.00 0.00 C ATOM 290 C VAL A 529 5.583 9.017 5.958 1.00 0.00 C ATOM 291 O VAL A 529 5.923 7.839 6.103 1.00 0.00 O ATOM 292 CB VAL A 529 4.618 10.196 3.907 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.892 11.212 2.796 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.905 8.987 3.296 1.00 0.00 C ATOM 0 H VAL A 529 6.392 7.992 3.714 1.00 0.00 H new ATOM 0 HA VAL A 529 6.442 10.675 4.945 1.00 0.00 H new ATOM 0 HB VAL A 529 3.980 10.665 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.956 11.472 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.337 12.110 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.579 10.779 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 529 3.008 9.319 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.572 8.489 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.627 8.290 4.087 1.00 0.00 H new ATOM 304 N SER A 530 4.893 9.679 6.885 1.00 0.00 N ATOM 305 CA SER A 530 4.392 9.091 8.114 1.00 0.00 C ATOM 306 C SER A 530 2.877 9.207 8.081 1.00 0.00 C ATOM 307 O SER A 530 2.299 10.112 8.685 1.00 0.00 O ATOM 308 CB SER A 530 5.036 9.774 9.330 1.00 0.00 C ATOM 309 OG SER A 530 5.886 8.857 9.971 1.00 0.00 O ATOM 0 H SER A 530 4.663 10.669 6.794 1.00 0.00 H new ATOM 0 HA SER A 530 4.657 8.037 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 530 5.599 10.652 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 530 4.266 10.120 10.020 1.00 0.00 H new ATOM 0 HG SER A 530 5.585 8.722 10.894 1.00 0.00 H new ATOM 315 N TRP A 531 2.230 8.314 7.335 1.00 0.00 N ATOM 316 CA TRP A 531 0.788 8.107 7.384 1.00 0.00 C ATOM 317 C TRP A 531 0.572 6.715 8.000 1.00 0.00 C ATOM 318 O TRP A 531 1.486 6.192 8.646 1.00 0.00 O ATOM 319 CB TRP A 531 0.126 8.251 6.013 1.00 0.00 C ATOM 320 CG TRP A 531 0.485 9.419 5.153 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.020 10.579 5.587 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.319 9.568 3.711 1.00 0.00 C ATOM 323 NE1 TRP A 531 1.190 11.440 4.532 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.783 10.869 3.347 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.119 8.722 2.665 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.801 11.306 2.016 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.118 9.165 1.328 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.345 10.450 1.002 1.00 0.00 C ATOM 0 H TRP A 531 2.703 7.704 6.668 1.00 0.00 H new ATOM 0 HA TRP A 531 0.310 8.875 7.992 1.00 0.00 H new ATOM 0 HB2 TRP A 531 0.344 7.346 5.446 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.952 8.277 6.170 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.277 10.798 6.613 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.570 12.383 4.615 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.459 7.723 2.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 1.163 12.294 1.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.476 8.511 0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.350 10.779 -0.027 1.00 0.00 H new ATOM 339 N ASN A 532 -0.607 6.093 7.834 1.00 0.00 N ATOM 340 CA ASN A 532 -0.815 4.703 8.259 1.00 0.00 C ATOM 341 C ASN A 532 -1.732 3.935 7.330 1.00 0.00 C ATOM 342 O ASN A 532 -1.286 2.998 6.672 1.00 0.00 O ATOM 343 CB ASN A 532 -1.363 4.601 9.688 1.00 0.00 C ATOM 344 CG ASN A 532 -0.300 4.949 10.696 1.00 0.00 C ATOM 345 OD1 ASN A 532 0.502 4.091 11.050 1.00 0.00 O ATOM 346 ND2 ASN A 532 -0.284 6.205 11.105 1.00 0.00 N ATOM 0 H ASN A 532 -1.426 6.530 7.410 1.00 0.00 H new ATOM 0 HA ASN A 532 0.177 4.252 8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -2.214 5.272 9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -1.727 3.590 9.871 1.00 0.00 H new ATOM 0 HD21 ASN A 532 0.431 6.519 11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.987 6.861 10.765 1.00 0.00 H new ATOM 353 N LEU A 533 -3.031 4.250 7.349 1.00 0.00 N ATOM 354 CA LEU A 533 -4.053 3.418 6.720 1.00 0.00 C ATOM 355 C LEU A 533 -5.279 4.269 6.395 1.00 0.00 C ATOM 356 O LEU A 533 -5.596 4.431 5.226 1.00 0.00 O ATOM 357 CB LEU A 533 -4.413 2.232 7.638 1.00 0.00 C ATOM 358 CG LEU A 533 -4.108 0.885 6.965 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.068 -0.216 8.019 1.00 0.00 C ATOM 360 CD2 LEU A 533 -5.115 0.556 5.857 1.00 0.00 C ATOM 0 H LEU A 533 -3.399 5.087 7.800 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.667 3.007 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -3.853 2.309 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.471 2.279 7.897 1.00 0.00 H new ATOM 0 HG LEU A 533 -3.131 0.956 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -3.852 -1.171 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -3.291 0.008 8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -5.033 -0.273 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -4.862 -0.405 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -6.118 0.505 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -5.082 1.333 5.093 1.00 0.00 H new ATOM 372 N ARG A 534 -5.939 4.866 7.394 1.00 0.00 N ATOM 373 CA ARG A 534 -7.017 5.841 7.167 1.00 0.00 C ATOM 374 C ARG A 534 -6.537 6.962 6.243 1.00 0.00 C ATOM 375 O ARG A 534 -7.203 7.291 5.263 1.00 0.00 O ATOM 376 CB ARG A 534 -7.543 6.411 8.500 1.00 0.00 C ATOM 377 CG ARG A 534 -8.539 5.467 9.199 1.00 0.00 C ATOM 378 CD ARG A 534 -8.147 5.061 10.621 1.00 0.00 C ATOM 379 NE ARG A 534 -8.164 6.203 11.556 1.00 0.00 N ATOM 380 CZ ARG A 534 -7.148 6.662 12.304 1.00 0.00 C ATOM 381 NH1 ARG A 534 -5.972 6.045 12.284 1.00 0.00 N ATOM 382 NH2 ARG A 534 -7.314 7.731 13.076 1.00 0.00 N ATOM 0 H ARG A 534 -5.744 4.689 8.379 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.845 5.325 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.701 6.602 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -8.027 7.370 8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -9.516 5.950 9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.648 4.566 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -8.832 4.292 10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.150 4.620 10.608 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.050 6.701 11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -5.839 5.220 11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -5.202 6.396 12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.216 8.206 13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -6.539 8.076 13.643 1.00 0.00 H new ATOM 396 N GLU A 535 -5.358 7.500 6.544 1.00 0.00 N ATOM 397 CA GLU A 535 -4.681 8.520 5.755 1.00 0.00 C ATOM 398 C GLU A 535 -4.417 8.043 4.316 1.00 0.00 C ATOM 399 O GLU A 535 -4.633 8.765 3.346 1.00 0.00 O ATOM 400 CB GLU A 535 -3.378 8.848 6.452 1.00 0.00 C ATOM 401 CG GLU A 535 -3.585 9.602 7.766 1.00 0.00 C ATOM 402 CD GLU A 535 -3.465 11.121 7.626 1.00 0.00 C ATOM 403 OE1 GLU A 535 -4.272 11.719 6.878 1.00 0.00 O ATOM 404 OE2 GLU A 535 -2.569 11.719 8.259 1.00 0.00 O ATOM 0 H GLU A 535 -4.831 7.227 7.373 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.314 9.405 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.834 7.924 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.756 9.448 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -4.570 9.359 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -2.853 9.254 8.494 1.00 0.00 H new ATOM 411 N MET A 536 -3.922 6.810 4.183 1.00 0.00 N ATOM 412 CA MET A 536 -3.581 6.179 2.922 1.00 0.00 C ATOM 413 C MET A 536 -4.804 6.043 2.027 1.00 0.00 C ATOM 414 O MET A 536 -4.763 6.528 0.902 1.00 0.00 O ATOM 415 CB MET A 536 -2.999 4.797 3.191 1.00 0.00 C ATOM 416 CG MET A 536 -1.672 4.836 3.925 1.00 0.00 C ATOM 417 SD MET A 536 -0.317 5.025 2.783 1.00 0.00 S ATOM 418 CE MET A 536 0.496 3.435 2.974 1.00 0.00 C ATOM 0 H MET A 536 -3.744 6.207 4.986 1.00 0.00 H new ATOM 0 HA MET A 536 -2.849 6.805 2.412 1.00 0.00 H new ATOM 0 HB2 MET A 536 -3.713 4.218 3.776 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.867 4.276 2.243 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.670 5.661 4.637 1.00 0.00 H new ATOM 0 HG3 MET A 536 -1.543 3.919 4.500 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.525 3.508 2.622 1.00 0.00 H new ATOM 0 HE2 MET A 536 0.491 3.148 4.026 1.00 0.00 H new ATOM 0 HE3 MET A 536 -0.034 2.683 2.390 1.00 0.00 H new ATOM 428 N LEU A 537 -5.871 5.401 2.522 1.00 0.00 N ATOM 429 CA LEU A 537 -7.172 5.279 1.903 1.00 0.00 C ATOM 430 C LEU A 537 -7.642 6.601 1.327 1.00 0.00 C ATOM 431 O LEU A 537 -8.052 6.628 0.170 1.00 0.00 O ATOM 432 CB LEU A 537 -8.166 4.830 2.978 1.00 0.00 C ATOM 433 CG LEU A 537 -8.398 3.326 3.012 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.221 2.411 3.316 1.00 0.00 C ATOM 435 CD2 LEU A 537 -9.487 3.072 4.054 1.00 0.00 C ATOM 0 H LEU A 537 -5.832 4.927 3.424 1.00 0.00 H new ATOM 0 HA LEU A 537 -7.108 4.559 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.803 5.154 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -9.119 5.331 2.810 1.00 0.00 H new ATOM 0 HG LEU A 537 -8.653 3.063 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.554 1.373 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -6.446 2.553 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.819 2.650 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.690 2.003 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -9.152 3.434 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -10.397 3.598 3.765 1.00 0.00 H new ATOM 447 N ALA A 538 -7.586 7.669 2.133 1.00 0.00 N ATOM 448 CA ALA A 538 -8.001 8.991 1.705 1.00 0.00 C ATOM 449 C ALA A 538 -7.249 9.357 0.429 1.00 0.00 C ATOM 450 O ALA A 538 -7.881 9.551 -0.608 1.00 0.00 O ATOM 451 CB ALA A 538 -7.792 10.013 2.827 1.00 0.00 C ATOM 0 H ALA A 538 -7.251 7.631 3.096 1.00 0.00 H new ATOM 0 HA ALA A 538 -9.068 8.996 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.109 10.998 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.381 9.723 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.737 10.045 3.098 1.00 0.00 H new ATOM 457 N HIS A 539 -5.912 9.395 0.480 1.00 0.00 N ATOM 458 CA HIS A 539 -5.102 9.736 -0.688 1.00 0.00 C ATOM 459 C HIS A 539 -5.394 8.804 -1.869 1.00 0.00 C ATOM 460 O HIS A 539 -5.622 9.280 -2.983 1.00 0.00 O ATOM 461 CB HIS A 539 -3.606 9.731 -0.333 1.00 0.00 C ATOM 462 CG HIS A 539 -2.766 10.205 -1.493 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.910 11.436 -2.107 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.794 9.498 -2.155 1.00 0.00 C ATOM 465 CE1 HIS A 539 -2.036 11.483 -3.126 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.323 10.337 -3.156 1.00 0.00 N ATOM 0 H HIS A 539 -5.371 9.193 1.321 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.375 10.745 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.433 10.373 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.301 8.724 -0.048 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.463 8.493 -1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.922 12.308 -3.813 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.566 10.123 -3.805 1.00 0.00 H new ATOM 475 N ALA A 540 -5.340 7.491 -1.642 1.00 0.00 N ATOM 476 CA ALA A 540 -5.590 6.453 -2.629 1.00 0.00 C ATOM 477 C ALA A 540 -6.917 6.640 -3.369 1.00 0.00 C ATOM 478 O ALA A 540 -6.929 6.472 -4.587 1.00 0.00 O ATOM 479 CB ALA A 540 -5.553 5.074 -1.963 1.00 0.00 C ATOM 0 H ALA A 540 -5.110 7.111 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.798 6.529 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.741 4.304 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.573 4.913 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -6.319 5.023 -1.189 1.00 0.00 H new ATOM 485 N GLU A 541 -8.027 6.944 -2.689 1.00 0.00 N ATOM 486 CA GLU A 541 -9.302 7.170 -3.342 1.00 0.00 C ATOM 487 C GLU A 541 -9.268 8.494 -4.103 1.00 0.00 C ATOM 488 O GLU A 541 -9.618 8.517 -5.282 1.00 0.00 O ATOM 489 CB GLU A 541 -10.437 7.180 -2.308 1.00 0.00 C ATOM 490 CG GLU A 541 -11.032 5.791 -2.046 1.00 0.00 C ATOM 491 CD GLU A 541 -12.565 5.797 -1.957 1.00 0.00 C ATOM 492 OE1 GLU A 541 -13.125 6.194 -0.907 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.249 5.347 -2.912 1.00 0.00 O ATOM 0 H GLU A 541 -8.058 7.038 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.485 6.360 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -10.061 7.589 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -11.227 7.847 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.723 5.114 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -10.622 5.397 -1.116 1.00 0.00 H new ATOM 500 N GLU A 542 -8.794 9.568 -3.459 1.00 0.00 N ATOM 501 CA GLU A 542 -8.759 10.942 -3.981 1.00 0.00 C ATOM 502 C GLU A 542 -8.037 11.045 -5.329 1.00 0.00 C ATOM 503 O GLU A 542 -8.265 11.969 -6.110 1.00 0.00 O ATOM 504 CB GLU A 542 -8.025 11.823 -2.964 1.00 0.00 C ATOM 505 CG GLU A 542 -8.407 13.300 -3.073 1.00 0.00 C ATOM 506 CD GLU A 542 -9.451 13.695 -2.024 1.00 0.00 C ATOM 507 OE1 GLU A 542 -9.196 13.503 -0.810 1.00 0.00 O ATOM 508 OE2 GLU A 542 -10.500 14.252 -2.386 1.00 0.00 O ATOM 0 H GLU A 542 -8.407 9.501 -2.518 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.788 11.267 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.246 11.469 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.950 11.719 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.516 13.916 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -8.799 13.502 -4.070 1.00 0.00 H new ATOM 515 N THR A 543 -7.134 10.102 -5.588 1.00 0.00 N ATOM 516 CA THR A 543 -6.282 10.086 -6.763 1.00 0.00 C ATOM 517 C THR A 543 -6.446 8.799 -7.579 1.00 0.00 C ATOM 518 O THR A 543 -5.714 8.600 -8.548 1.00 0.00 O ATOM 519 CB THR A 543 -4.829 10.323 -6.322 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.391 9.385 -5.351 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.628 11.713 -5.723 1.00 0.00 C ATOM 0 H THR A 543 -6.975 9.309 -4.967 1.00 0.00 H new ATOM 0 HA THR A 543 -6.582 10.890 -7.435 1.00 0.00 H new ATOM 0 HB THR A 543 -4.244 10.213 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.906 9.504 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.586 11.834 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.884 12.469 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 543 -5.270 11.829 -4.850 1.00 0.00 H new ATOM 529 N ARG A 544 -7.359 7.894 -7.191 1.00 0.00 N ATOM 530 CA ARG A 544 -7.480 6.527 -7.719 1.00 0.00 C ATOM 531 C ARG A 544 -6.141 5.771 -7.790 1.00 0.00 C ATOM 532 O ARG A 544 -6.000 4.851 -8.597 1.00 0.00 O ATOM 533 CB ARG A 544 -8.224 6.554 -9.069 1.00 0.00 C ATOM 534 CG ARG A 544 -9.699 6.958 -8.958 1.00 0.00 C ATOM 535 CD ARG A 544 -10.514 5.916 -8.180 1.00 0.00 C ATOM 536 NE ARG A 544 -11.815 5.649 -8.813 1.00 0.00 N ATOM 537 CZ ARG A 544 -12.315 4.453 -9.152 1.00 0.00 C ATOM 538 NH1 ARG A 544 -11.693 3.315 -8.834 1.00 0.00 N ATOM 539 NH2 ARG A 544 -13.443 4.391 -9.848 1.00 0.00 N ATOM 0 H ARG A 544 -8.057 8.102 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 544 -8.073 5.951 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -7.717 7.249 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -8.161 5.567 -9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.775 7.925 -8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -10.120 7.078 -9.956 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -9.946 4.988 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -10.672 6.267 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 544 -12.398 6.461 -9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -10.813 3.342 -8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -12.098 2.419 -9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -13.922 5.249 -10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.831 3.485 -10.111 1.00 0.00 H new ATOM 553 N LYS A 545 -5.155 6.137 -6.966 1.00 0.00 N ATOM 554 CA LYS A 545 -3.842 5.494 -6.932 1.00 0.00 C ATOM 555 C LYS A 545 -3.950 4.108 -6.313 1.00 0.00 C ATOM 556 O LYS A 545 -4.914 3.776 -5.617 1.00 0.00 O ATOM 557 CB LYS A 545 -2.815 6.419 -6.253 1.00 0.00 C ATOM 558 CG LYS A 545 -2.481 7.557 -7.235 1.00 0.00 C ATOM 559 CD LYS A 545 -1.477 8.589 -6.716 1.00 0.00 C ATOM 560 CE LYS A 545 -1.427 9.739 -7.734 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.272 10.629 -7.534 1.00 0.00 N ATOM 0 H LYS A 545 -5.250 6.899 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.471 5.335 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -3.220 6.822 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.914 5.863 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -2.088 7.120 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -3.405 8.072 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.779 8.958 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -0.491 8.139 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.390 9.325 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -2.345 10.322 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.454 11.543 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 -0.121 10.779 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 0.577 10.195 -7.949 1.00 0.00 H new ATOM 575 N LEU A 546 -2.948 3.291 -6.607 1.00 0.00 N ATOM 576 CA LEU A 546 -2.971 1.850 -6.415 1.00 0.00 C ATOM 577 C LEU A 546 -2.308 1.521 -5.081 1.00 0.00 C ATOM 578 O LEU A 546 -1.237 2.029 -4.763 1.00 0.00 O ATOM 579 CB LEU A 546 -2.252 1.233 -7.621 1.00 0.00 C ATOM 580 CG LEU A 546 -2.334 -0.303 -7.769 1.00 0.00 C ATOM 581 CD1 LEU A 546 -1.663 -0.784 -9.059 1.00 0.00 C ATOM 582 CD2 LEU A 546 -2.068 -1.220 -6.579 1.00 0.00 C ATOM 0 H LEU A 546 -2.068 3.626 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.980 1.440 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.659 1.684 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.200 1.514 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 546 -3.415 -0.431 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -1.741 -1.869 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -2.158 -0.330 -9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -0.612 -0.496 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -2.175 -2.259 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.056 -1.054 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -2.783 -1.003 -5.785 1.00 0.00 H new ATOM 594 N MET A 547 -2.905 0.653 -4.281 1.00 0.00 N ATOM 595 CA MET A 547 -2.535 0.408 -2.904 1.00 0.00 C ATOM 596 C MET A 547 -2.148 -1.068 -2.720 1.00 0.00 C ATOM 597 O MET A 547 -3.005 -1.905 -2.461 1.00 0.00 O ATOM 598 CB MET A 547 -3.724 0.881 -2.062 1.00 0.00 C ATOM 599 CG MET A 547 -3.361 1.005 -0.591 1.00 0.00 C ATOM 600 SD MET A 547 -4.419 2.151 0.323 1.00 0.00 S ATOM 601 CE MET A 547 -3.740 1.834 1.955 1.00 0.00 C ATOM 0 H MET A 547 -3.690 0.080 -4.589 1.00 0.00 H new ATOM 0 HA MET A 547 -1.649 0.956 -2.583 1.00 0.00 H new ATOM 0 HB2 MET A 547 -4.071 1.845 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.551 0.180 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 547 -3.420 0.021 -0.127 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.325 1.335 -0.508 1.00 0.00 H new ATOM 0 HE1 MET A 547 -4.258 2.449 2.690 1.00 0.00 H new ATOM 0 HE2 MET A 547 -3.871 0.781 2.206 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.678 2.079 1.961 1.00 0.00 H new ATOM 611 N PRO A 548 -0.881 -1.468 -2.892 1.00 0.00 N ATOM 612 CA PRO A 548 -0.504 -2.871 -2.744 1.00 0.00 C ATOM 613 C PRO A 548 -0.483 -3.268 -1.252 1.00 0.00 C ATOM 614 O PRO A 548 0.118 -2.559 -0.430 1.00 0.00 O ATOM 615 CB PRO A 548 0.836 -2.984 -3.472 1.00 0.00 C ATOM 616 CG PRO A 548 1.446 -1.601 -3.327 1.00 0.00 C ATOM 617 CD PRO A 548 0.246 -0.659 -3.317 1.00 0.00 C ATOM 0 HA PRO A 548 -1.212 -3.576 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.470 -3.750 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.701 -3.253 -4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.026 -1.516 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.122 -1.376 -4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.409 0.176 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.073 -0.234 -4.306 1.00 0.00 H new ATOM 625 N ILE A 549 -1.146 -4.380 -0.901 1.00 0.00 N ATOM 626 CA ILE A 549 -1.427 -4.855 0.459 1.00 0.00 C ATOM 627 C ILE A 549 -1.241 -6.374 0.494 1.00 0.00 C ATOM 628 O ILE A 549 -1.792 -7.057 -0.367 1.00 0.00 O ATOM 629 CB ILE A 549 -2.894 -4.526 0.816 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.219 -3.021 0.807 1.00 0.00 C ATOM 631 CG2 ILE A 549 -3.345 -5.182 2.133 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.589 -2.168 1.899 1.00 0.00 C ATOM 0 H ILE A 549 -1.524 -5.012 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.755 -4.374 1.169 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.476 -4.968 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.914 -2.615 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.301 -2.908 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -4.383 -4.917 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.257 -6.265 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.715 -4.829 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.900 -1.131 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.912 -2.530 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.503 -2.232 1.830 1.00 0.00 H new ATOM 644 N CYS A 550 -0.541 -6.918 1.494 1.00 0.00 N ATOM 645 CA CYS A 550 -0.360 -8.362 1.589 1.00 0.00 C ATOM 646 C CYS A 550 -1.459 -8.985 2.436 1.00 0.00 C ATOM 647 O CYS A 550 -1.670 -8.576 3.580 1.00 0.00 O ATOM 648 CB CYS A 550 0.993 -8.737 2.204 1.00 0.00 C ATOM 649 SG CYS A 550 1.346 -10.452 1.696 1.00 0.00 S ATOM 0 H CYS A 550 -0.096 -6.383 2.240 1.00 0.00 H new ATOM 0 HA CYS A 550 -0.401 -8.745 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 550 1.776 -8.062 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 550 0.960 -8.655 3.290 1.00 0.00 H new ATOM 0 HG CYS A 550 1.721 -10.467 0.451 1.00 0.00 H new ATOM 655 N MET A 551 -2.036 -10.070 1.923 1.00 0.00 N ATOM 656 CA MET A 551 -2.986 -10.913 2.639 1.00 0.00 C ATOM 657 C MET A 551 -2.357 -11.627 3.828 1.00 0.00 C ATOM 658 O MET A 551 -3.052 -12.238 4.639 1.00 0.00 O ATOM 659 CB MET A 551 -3.682 -11.878 1.667 1.00 0.00 C ATOM 660 CG MET A 551 -2.675 -12.787 0.947 1.00 0.00 C ATOM 661 SD MET A 551 -3.337 -13.850 -0.362 1.00 0.00 S ATOM 662 CE MET A 551 -3.978 -12.597 -1.507 1.00 0.00 C ATOM 0 H MET A 551 -1.850 -10.394 0.974 1.00 0.00 H new ATOM 0 HA MET A 551 -3.750 -10.265 3.068 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.398 -12.491 2.214 1.00 0.00 H new ATOM 0 HB3 MET A 551 -4.248 -11.307 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.896 -12.158 0.515 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.195 -13.422 1.692 1.00 0.00 H new ATOM 0 HE1 MET A 551 -3.703 -12.862 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.064 -12.550 -1.425 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.553 -11.625 -1.257 1.00 0.00 H new ATOM 672 N ASP A 552 -1.035 -11.566 3.939 1.00 0.00 N ATOM 673 CA ASP A 552 -0.273 -12.139 5.028 1.00 0.00 C ATOM 674 C ASP A 552 -0.347 -11.296 6.307 1.00 0.00 C ATOM 675 O ASP A 552 0.110 -11.738 7.362 1.00 0.00 O ATOM 676 CB ASP A 552 1.167 -12.288 4.549 1.00 0.00 C ATOM 677 CG ASP A 552 2.002 -13.072 5.545 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.577 -14.193 5.906 1.00 0.00 O ATOM 679 OD2 ASP A 552 3.085 -12.564 5.929 1.00 0.00 O ATOM 0 H ASP A 552 -0.450 -11.099 3.246 1.00 0.00 H new ATOM 0 HA ASP A 552 -0.695 -13.108 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 552 1.181 -12.793 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.607 -11.302 4.400 1.00 0.00 H new ATOM 684 N VAL A 553 -0.912 -10.084 6.251 1.00 0.00 N ATOM 685 CA VAL A 553 -0.862 -9.139 7.359 1.00 0.00 C ATOM 686 C VAL A 553 -2.274 -8.757 7.765 1.00 0.00 C ATOM 687 O VAL A 553 -2.906 -7.842 7.233 1.00 0.00 O ATOM 688 CB VAL A 553 0.054 -7.949 7.021 1.00 0.00 C ATOM 689 CG1 VAL A 553 0.208 -7.052 8.255 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.452 -8.419 6.583 1.00 0.00 C ATOM 0 H VAL A 553 -1.415 -9.737 5.434 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.408 -9.602 8.235 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.406 -7.401 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.857 -6.210 8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -0.771 -6.681 8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.647 -7.627 9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 553 2.071 -7.552 6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 553 1.913 -8.990 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 553 1.363 -9.048 5.697 1.00 0.00 H new ATOM 700 N ARG A 554 -2.776 -9.499 8.746 1.00 0.00 N ATOM 701 CA ARG A 554 -4.150 -9.405 9.191 1.00 0.00 C ATOM 702 C ARG A 554 -4.438 -8.048 9.808 1.00 0.00 C ATOM 703 O ARG A 554 -5.554 -7.585 9.650 1.00 0.00 O ATOM 704 CB ARG A 554 -4.520 -10.556 10.131 1.00 0.00 C ATOM 705 CG ARG A 554 -4.353 -11.919 9.439 1.00 0.00 C ATOM 706 CD ARG A 554 -2.912 -12.435 9.495 1.00 0.00 C ATOM 707 NE ARG A 554 -2.820 -13.890 9.706 1.00 0.00 N ATOM 708 CZ ARG A 554 -3.108 -14.557 10.833 1.00 0.00 C ATOM 709 NH1 ARG A 554 -3.702 -13.976 11.876 1.00 0.00 N ATOM 710 NH2 ARG A 554 -2.778 -15.830 10.963 1.00 0.00 N ATOM 0 H ARG A 554 -2.227 -10.190 9.258 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.788 -9.500 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.891 -10.518 11.021 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.551 -10.439 10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -5.014 -12.646 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.665 -11.834 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -2.405 -12.177 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -2.382 -11.924 10.299 1.00 0.00 H new ATOM 0 HE ARG A 554 -2.505 -14.448 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -3.954 -12.989 11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -3.904 -14.519 12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -2.300 -16.313 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -3.001 -16.329 11.824 1.00 0.00 H new ATOM 724 N ALA A 555 -3.465 -7.370 10.418 1.00 0.00 N ATOM 725 CA ALA A 555 -3.658 -6.041 10.988 1.00 0.00 C ATOM 726 C ALA A 555 -4.101 -5.043 9.917 1.00 0.00 C ATOM 727 O ALA A 555 -5.097 -4.326 10.078 1.00 0.00 O ATOM 728 CB ALA A 555 -2.361 -5.581 11.669 1.00 0.00 C ATOM 0 H ALA A 555 -2.518 -7.731 10.530 1.00 0.00 H new ATOM 0 HA ALA A 555 -4.451 -6.088 11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.506 -4.588 12.095 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -2.098 -6.281 12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.557 -5.547 10.934 1.00 0.00 H new ATOM 734 N ILE A 556 -3.365 -5.034 8.806 1.00 0.00 N ATOM 735 CA ILE A 556 -3.652 -4.209 7.646 1.00 0.00 C ATOM 736 C ILE A 556 -5.027 -4.610 7.091 1.00 0.00 C ATOM 737 O ILE A 556 -5.901 -3.766 6.864 1.00 0.00 O ATOM 738 CB ILE A 556 -2.505 -4.342 6.628 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.160 -3.863 7.214 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.802 -3.573 5.337 1.00 0.00 C ATOM 741 CD1 ILE A 556 -1.036 -2.373 7.546 1.00 0.00 C ATOM 0 H ILE A 556 -2.535 -5.615 8.691 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.707 -3.152 7.904 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.425 -5.404 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.966 -4.430 8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.372 -4.119 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.969 -3.691 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.712 -3.964 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -2.936 -2.516 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.044 -2.171 7.949 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -1.186 -1.785 6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -1.790 -2.101 8.285 1.00 0.00 H new ATOM 753 N MET A 557 -5.234 -5.917 6.918 1.00 0.00 N ATOM 754 CA MET A 557 -6.406 -6.481 6.262 1.00 0.00 C ATOM 755 C MET A 557 -7.679 -6.175 7.054 1.00 0.00 C ATOM 756 O MET A 557 -8.685 -5.729 6.504 1.00 0.00 O ATOM 757 CB MET A 557 -6.210 -8.001 6.097 1.00 0.00 C ATOM 758 CG MET A 557 -5.111 -8.393 5.101 1.00 0.00 C ATOM 759 SD MET A 557 -5.768 -9.006 3.539 1.00 0.00 S ATOM 760 CE MET A 557 -6.608 -7.526 3.001 1.00 0.00 C ATOM 0 H MET A 557 -4.574 -6.625 7.239 1.00 0.00 H new ATOM 0 HA MET A 557 -6.520 -6.025 5.278 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.973 -8.432 7.070 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.152 -8.444 5.773 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.477 -7.528 4.908 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.478 -9.159 5.549 1.00 0.00 H new ATOM 0 HE1 MET A 557 -7.200 -7.746 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.264 -7.171 3.796 1.00 0.00 H new ATOM 0 HE3 MET A 557 -5.873 -6.756 2.765 1.00 0.00 H new ATOM 770 N ALA A 558 -7.622 -6.361 8.371 1.00 0.00 N ATOM 771 CA ALA A 558 -8.664 -6.073 9.344 1.00 0.00 C ATOM 772 C ALA A 558 -8.942 -4.582 9.498 1.00 0.00 C ATOM 773 O ALA A 558 -9.854 -4.222 10.242 1.00 0.00 O ATOM 774 CB ALA A 558 -8.237 -6.644 10.697 1.00 0.00 C ATOM 0 H ALA A 558 -6.786 -6.744 8.813 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.585 -6.533 8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.008 -6.437 11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -8.098 -7.722 10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.300 -6.181 11.008 1.00 0.00 H new ATOM 780 N THR A 559 -8.190 -3.715 8.824 1.00 0.00 N ATOM 781 CA THR A 559 -8.532 -2.313 8.701 1.00 0.00 C ATOM 782 C THR A 559 -9.249 -2.045 7.373 1.00 0.00 C ATOM 783 O THR A 559 -10.254 -1.328 7.372 1.00 0.00 O ATOM 784 CB THR A 559 -7.259 -1.461 8.860 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.643 -1.676 10.120 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.635 0.013 8.723 1.00 0.00 C ATOM 0 H THR A 559 -7.325 -3.973 8.349 1.00 0.00 H new ATOM 0 HA THR A 559 -9.227 -2.033 9.493 1.00 0.00 H new ATOM 0 HB THR A 559 -6.548 -1.751 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.152 -2.524 10.104 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.742 0.628 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.076 0.186 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.356 0.278 9.496 1.00 0.00 H new ATOM 794 N ILE A 560 -8.752 -2.562 6.249 1.00 0.00 N ATOM 795 CA ILE A 560 -9.356 -2.358 4.941 1.00 0.00 C ATOM 796 C ILE A 560 -10.718 -3.050 4.884 1.00 0.00 C ATOM 797 O ILE A 560 -11.727 -2.354 4.844 1.00 0.00 O ATOM 798 CB ILE A 560 -8.379 -2.828 3.855 1.00 0.00 C ATOM 799 CG1 ILE A 560 -7.126 -1.944 3.837 1.00 0.00 C ATOM 800 CG2 ILE A 560 -9.046 -2.841 2.465 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.955 -2.702 3.210 1.00 0.00 C ATOM 0 H ILE A 560 -7.911 -3.139 6.225 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.545 -1.300 4.760 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.084 -3.850 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.323 -1.033 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.871 -1.641 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.326 -3.179 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.900 -3.518 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.384 -1.835 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -5.071 -2.064 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.750 -3.600 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.209 -2.982 2.188 1.00 0.00 H new ATOM 813 N GLN A 561 -10.795 -4.384 4.903 1.00 0.00 N ATOM 814 CA GLN A 561 -12.031 -5.123 4.671 1.00 0.00 C ATOM 815 C GLN A 561 -13.106 -4.680 5.694 1.00 0.00 C ATOM 816 O GLN A 561 -14.307 -4.717 5.428 1.00 0.00 O ATOM 817 CB GLN A 561 -11.765 -6.614 4.897 1.00 0.00 C ATOM 818 CG GLN A 561 -10.678 -7.324 4.075 1.00 0.00 C ATOM 819 CD GLN A 561 -9.887 -6.503 3.075 1.00 0.00 C ATOM 820 OE1 GLN A 561 -8.951 -5.815 3.418 1.00 0.00 O ATOM 821 NE2 GLN A 561 -10.209 -6.563 1.804 1.00 0.00 N ATOM 0 H GLN A 561 -9.990 -4.984 5.082 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.375 -4.933 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.515 -6.745 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -12.702 -7.143 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -9.970 -7.771 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -11.151 -8.143 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -10.995 -7.139 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -9.673 -6.034 1.117 1.00 0.00 H new ATOM 830 N ARG A 562 -12.687 -4.229 6.892 1.00 0.00 N ATOM 831 CA ARG A 562 -13.620 -3.786 7.927 1.00 0.00 C ATOM 832 C ARG A 562 -14.325 -2.525 7.454 1.00 0.00 C ATOM 833 O ARG A 562 -15.543 -2.409 7.589 1.00 0.00 O ATOM 834 CB ARG A 562 -12.942 -3.643 9.307 1.00 0.00 C ATOM 835 CG ARG A 562 -12.419 -2.295 9.831 1.00 0.00 C ATOM 836 CD ARG A 562 -13.497 -1.245 10.163 1.00 0.00 C ATOM 837 NE ARG A 562 -13.049 -0.167 11.061 1.00 0.00 N ATOM 838 CZ ARG A 562 -11.911 0.543 11.044 1.00 0.00 C ATOM 839 NH1 ARG A 562 -10.992 0.404 10.097 1.00 0.00 N ATOM 840 NH2 ARG A 562 -11.669 1.418 12.006 1.00 0.00 N ATOM 0 H ARG A 562 -11.705 -4.165 7.160 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.379 -4.552 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -13.655 -4.010 10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.096 -4.330 9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -11.828 -2.479 10.728 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -11.744 -1.873 9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -13.851 -0.801 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -14.348 -1.750 10.620 1.00 0.00 H new ATOM 0 HE ARG A 562 -13.701 0.076 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -11.136 -0.265 9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -10.141 0.966 10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -12.346 1.551 12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -10.805 1.960 11.997 1.00 0.00 H new ATOM 854 N LYS A 563 -13.547 -1.587 6.902 1.00 0.00 N ATOM 855 CA LYS A 563 -14.040 -0.360 6.295 1.00 0.00 C ATOM 856 C LYS A 563 -14.982 -0.749 5.162 1.00 0.00 C ATOM 857 O LYS A 563 -16.172 -0.436 5.193 1.00 0.00 O ATOM 858 CB LYS A 563 -12.863 0.488 5.750 1.00 0.00 C ATOM 859 CG LYS A 563 -13.332 1.878 5.299 1.00 0.00 C ATOM 860 CD LYS A 563 -13.204 2.934 6.404 1.00 0.00 C ATOM 861 CE LYS A 563 -11.886 3.696 6.221 1.00 0.00 C ATOM 862 NZ LYS A 563 -12.074 4.956 5.465 1.00 0.00 N ATOM 0 H LYS A 563 -12.531 -1.669 6.868 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.565 0.243 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -12.101 0.593 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.398 -0.030 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.748 2.191 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.372 1.819 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -14.046 3.625 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -13.230 2.458 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -11.458 3.920 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -11.170 3.062 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -11.159 5.440 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -12.458 4.741 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -12.737 5.572 5.977 1.00 0.00 H new ATOM 876 N TYR A 564 -14.421 -1.420 4.167 1.00 0.00 N ATOM 877 CA TYR A 564 -15.023 -1.679 2.881 1.00 0.00 C ATOM 878 C TYR A 564 -15.822 -2.967 3.013 1.00 0.00 C ATOM 879 O TYR A 564 -15.307 -4.047 2.727 1.00 0.00 O ATOM 880 CB TYR A 564 -13.898 -1.759 1.845 1.00 0.00 C ATOM 881 CG TYR A 564 -13.160 -0.444 1.658 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.740 0.555 0.861 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.914 -0.206 2.276 1.00 0.00 C ATOM 884 CE1 TYR A 564 -13.072 1.774 0.664 1.00 0.00 C ATOM 885 CE2 TYR A 564 -11.231 1.008 2.071 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.822 2.005 1.261 1.00 0.00 C ATOM 887 OH TYR A 564 -11.234 3.219 1.090 1.00 0.00 O ATOM 0 H TYR A 564 -13.485 -1.816 4.246 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.706 -0.895 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.187 -2.527 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.316 -2.073 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.701 0.386 0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.480 -0.963 2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.522 2.539 0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -10.267 1.176 2.527 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.514 3.822 1.810 1.00 0.00 H new ATOM 897 N LYS A 565 -17.033 -2.862 3.568 1.00 0.00 N ATOM 898 CA LYS A 565 -17.824 -4.007 3.972 1.00 0.00 C ATOM 899 C LYS A 565 -18.133 -4.931 2.805 1.00 0.00 C ATOM 900 O LYS A 565 -18.018 -4.545 1.647 1.00 0.00 O ATOM 901 CB LYS A 565 -19.038 -3.541 4.767 1.00 0.00 C ATOM 902 CG LYS A 565 -20.193 -3.107 3.866 1.00 0.00 C ATOM 903 CD LYS A 565 -21.491 -2.873 4.648 1.00 0.00 C ATOM 904 CE LYS A 565 -21.339 -1.772 5.700 1.00 0.00 C ATOM 905 NZ LYS A 565 -22.367 -1.899 6.744 1.00 0.00 N ATOM 0 H LYS A 565 -17.488 -1.967 3.747 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.241 -4.634 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.373 -4.347 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.750 -2.709 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.917 -2.191 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.363 -3.869 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -22.288 -2.604 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.792 -3.800 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -20.348 -1.828 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.417 -0.795 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -22.244 -1.142 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -23.311 -1.822 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -22.274 -2.823 7.212 1.00 0.00 H new ATOM 919 N GLY A 566 -18.577 -6.148 3.109 1.00 0.00 N ATOM 920 CA GLY A 566 -19.005 -7.105 2.105 1.00 0.00 C ATOM 921 C GLY A 566 -17.859 -7.849 1.454 1.00 0.00 C ATOM 922 O GLY A 566 -17.995 -9.034 1.151 1.00 0.00 O ATOM 0 H GLY A 566 -18.648 -6.495 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.681 -7.826 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.573 -6.583 1.335 1.00 0.00 H new ATOM 926 N ILE A 567 -16.722 -7.190 1.275 1.00 0.00 N ATOM 927 CA ILE A 567 -15.542 -7.792 0.700 1.00 0.00 C ATOM 928 C ILE A 567 -15.102 -8.986 1.576 1.00 0.00 C ATOM 929 O ILE A 567 -15.227 -8.938 2.807 1.00 0.00 O ATOM 930 CB ILE A 567 -14.508 -6.661 0.557 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.615 -6.919 -0.647 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.627 -6.450 1.793 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.453 -5.920 -0.717 1.00 0.00 C ATOM 0 H ILE A 567 -16.599 -6.210 1.531 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.700 -8.222 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 567 -15.091 -5.749 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.220 -7.934 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -14.207 -6.853 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.928 -5.635 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.254 -6.201 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.072 -7.364 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.838 -6.137 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.848 -4.907 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.846 -6.005 0.184 1.00 0.00 H new ATOM 945 N LYS A 568 -14.550 -10.044 0.968 1.00 0.00 N ATOM 946 CA LYS A 568 -14.125 -11.262 1.684 1.00 0.00 C ATOM 947 C LYS A 568 -12.778 -11.769 1.160 1.00 0.00 C ATOM 948 O LYS A 568 -12.563 -12.968 1.035 1.00 0.00 O ATOM 949 CB LYS A 568 -15.248 -12.329 1.610 1.00 0.00 C ATOM 950 CG LYS A 568 -15.098 -13.496 2.617 1.00 0.00 C ATOM 951 CD LYS A 568 -14.852 -14.888 1.999 1.00 0.00 C ATOM 952 CE LYS A 568 -16.067 -15.425 1.237 1.00 0.00 C ATOM 953 NZ LYS A 568 -15.766 -16.698 0.547 1.00 0.00 N ATOM 0 H LYS A 568 -14.383 -10.083 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.965 -11.029 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.207 -11.840 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.275 -12.739 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -14.272 -13.267 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -16.001 -13.544 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -14.000 -14.834 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -14.587 -15.589 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -16.894 -15.575 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -16.394 -14.685 0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -16.614 -17.029 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -14.994 -16.550 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -15.478 -17.412 1.246 1.00 0.00 H new ATOM 967 N ILE A 569 -11.829 -10.855 0.962 1.00 0.00 N ATOM 968 CA ILE A 569 -10.517 -11.054 0.343 1.00 0.00 C ATOM 969 C ILE A 569 -10.631 -11.644 -1.075 1.00 0.00 C ATOM 970 O ILE A 569 -11.622 -12.270 -1.436 1.00 0.00 O ATOM 971 CB ILE A 569 -9.582 -11.830 1.292 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.518 -11.240 2.718 1.00 0.00 C ATOM 973 CG2 ILE A 569 -8.158 -11.882 0.713 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.988 -9.802 2.738 1.00 0.00 C ATOM 0 H ILE A 569 -11.966 -9.886 1.250 1.00 0.00 H new ATOM 0 HA ILE A 569 -10.046 -10.083 0.191 1.00 0.00 H new ATOM 0 HB ILE A 569 -10.006 -12.831 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.513 -11.263 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.878 -11.868 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.508 -12.433 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.177 -12.382 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.778 -10.868 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.964 -9.437 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.981 -9.780 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.641 -9.165 2.142 1.00 0.00 H new ATOM 986 N GLN A 570 -9.634 -11.381 -1.920 1.00 0.00 N ATOM 987 CA GLN A 570 -9.599 -11.735 -3.328 1.00 0.00 C ATOM 988 C GLN A 570 -8.150 -11.523 -3.771 1.00 0.00 C ATOM 989 O GLN A 570 -7.629 -10.432 -3.565 1.00 0.00 O ATOM 990 CB GLN A 570 -10.593 -10.855 -4.124 1.00 0.00 C ATOM 991 CG GLN A 570 -10.665 -9.366 -3.721 1.00 0.00 C ATOM 992 CD GLN A 570 -11.511 -9.072 -2.483 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.966 -8.474 -1.423 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -12.695 -9.379 -2.434 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.791 -10.891 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.904 -12.766 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -10.329 -10.911 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -11.589 -11.286 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -9.652 -9.003 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.066 -8.797 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -13.136 -9.837 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -13.240 -9.176 -1.596 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.456 -12.543 -4.276 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.099 -12.349 -4.791 1.00 0.00 C ATOM 1005 C GLU A 571 -6.197 -11.666 -6.149 1.00 0.00 C ATOM 1006 O GLU A 571 -7.098 -11.988 -6.931 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.404 -13.708 -4.930 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.898 -13.647 -5.253 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.523 -14.274 -6.600 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.858 -15.460 -6.843 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -2.760 -13.653 -7.373 1.00 0.00 O ATOM 0 H GLU A 571 -7.804 -13.500 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.517 -11.731 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.538 -14.263 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.905 -14.275 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.578 -12.605 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.346 -14.154 -4.462 1.00 0.00 H new ATOM 1018 N GLY A 572 -5.238 -10.799 -6.443 1.00 0.00 N ATOM 1019 CA GLY A 572 -5.168 -10.005 -7.661 1.00 0.00 C ATOM 1020 C GLY A 572 -5.218 -8.504 -7.389 1.00 0.00 C ATOM 1021 O GLY A 572 -5.136 -8.046 -6.250 1.00 0.00 O ATOM 0 H GLY A 572 -4.455 -10.623 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -4.247 -10.243 -8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.995 -10.279 -8.317 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.336 -7.709 -8.452 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.854 -6.351 -8.374 1.00 0.00 C ATOM 1027 C ILE A 573 -7.270 -6.439 -7.801 1.00 0.00 C ATOM 1028 O ILE A 573 -8.067 -7.265 -8.251 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.831 -5.721 -9.779 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.381 -5.485 -10.246 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.668 -4.435 -9.891 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -3.654 -4.331 -9.555 1.00 0.00 C ATOM 0 H ILE A 573 -5.072 -7.994 -9.395 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.248 -5.716 -7.728 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.305 -6.441 -10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -3.811 -6.400 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -4.388 -5.298 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.605 -4.047 -10.908 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.708 -4.656 -9.651 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.285 -3.690 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.643 -4.248 -9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.193 -3.401 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -3.607 -4.521 -8.483 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.568 -5.555 -6.855 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.847 -5.441 -6.171 1.00 0.00 C ATOM 1046 C VAL A 574 -9.302 -4.005 -6.301 1.00 0.00 C ATOM 1047 O VAL A 574 -8.818 -3.128 -5.601 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.715 -5.850 -4.685 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -10.062 -5.834 -3.949 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.058 -7.213 -4.494 1.00 0.00 C ATOM 0 H VAL A 574 -6.890 -4.866 -6.530 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.580 -6.112 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 574 -8.064 -5.092 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.913 -6.129 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -10.484 -4.830 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.747 -6.532 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.995 -7.441 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -8.653 -7.977 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.055 -7.197 -4.921 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.231 -3.756 -7.204 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.051 -2.552 -7.161 1.00 0.00 C ATOM 1062 C ASP A 575 -12.195 -2.843 -6.193 1.00 0.00 C ATOM 1063 O ASP A 575 -13.153 -3.530 -6.552 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.530 -2.220 -8.573 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.317 -0.898 -8.665 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -13.374 -0.698 -8.016 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -11.845 0.004 -9.398 1.00 0.00 O ATOM 0 H ASP A 575 -10.441 -4.377 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.503 -1.677 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.667 -2.166 -9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.159 -3.033 -8.934 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.060 -2.425 -4.933 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.157 -2.481 -3.973 1.00 0.00 C ATOM 1074 C TYR A 576 -13.025 -1.294 -3.026 1.00 0.00 C ATOM 1075 O TYR A 576 -12.533 -1.410 -1.905 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.240 -3.838 -3.241 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.625 -4.141 -2.689 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.126 -3.411 -1.598 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.415 -5.163 -3.251 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.414 -3.659 -1.099 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.695 -5.443 -2.738 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.215 -4.664 -1.680 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.496 -4.813 -1.253 1.00 0.00 O ATOM 0 H TYR A 576 -11.194 -2.042 -4.554 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.107 -2.406 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.949 -4.632 -3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.521 -3.846 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.513 -2.650 -1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -15.035 -5.737 -4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.792 -3.080 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -17.279 -6.252 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.524 -4.750 -0.275 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.468 -0.127 -3.485 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.493 1.101 -2.708 1.00 0.00 C ATOM 1095 C GLY A 577 -12.126 1.753 -2.523 1.00 0.00 C ATOM 1096 O GLY A 577 -12.078 2.886 -2.063 1.00 0.00 O ATOM 0 H GLY A 577 -13.828 -0.010 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -14.159 1.813 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -13.917 0.888 -1.727 1.00 0.00 H new ATOM 1100 N VAL A 578 -11.039 1.071 -2.866 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.742 1.569 -3.288 1.00 0.00 C ATOM 1102 C VAL A 578 -9.264 0.512 -4.291 1.00 0.00 C ATOM 1103 O VAL A 578 -9.634 -0.664 -4.198 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.796 1.721 -2.071 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -7.295 1.658 -2.387 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -8.998 3.035 -1.321 1.00 0.00 C ATOM 0 H VAL A 578 -11.050 0.051 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.773 2.562 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 578 -9.077 0.856 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.724 1.775 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -7.059 0.695 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -7.035 2.459 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.307 3.083 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.809 3.871 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.023 3.090 -0.953 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.411 0.927 -5.225 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.619 0.057 -6.079 1.00 0.00 C ATOM 1118 C ARG A 579 -6.502 -0.534 -5.236 1.00 0.00 C ATOM 1119 O ARG A 579 -5.469 0.113 -5.086 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.028 0.901 -7.218 1.00 0.00 C ATOM 1121 CG ARG A 579 -7.958 0.990 -8.423 1.00 0.00 C ATOM 1122 CD ARG A 579 -7.657 2.259 -9.224 1.00 0.00 C ATOM 1123 NE ARG A 579 -7.803 2.056 -10.671 1.00 0.00 N ATOM 1124 CZ ARG A 579 -7.320 2.874 -11.614 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -6.740 4.022 -11.272 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -7.422 2.528 -12.891 1.00 0.00 N ATOM 0 H ARG A 579 -8.249 1.917 -5.412 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.226 -0.744 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -6.818 1.905 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.076 0.470 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -7.831 0.112 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.996 0.997 -8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -8.327 3.056 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -6.641 2.590 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 579 -8.312 1.228 -10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -6.662 4.281 -10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -6.373 4.643 -11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -7.865 1.646 -13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -7.057 3.144 -13.617 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.666 -1.724 -4.679 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.579 -2.449 -4.047 1.00 0.00 C ATOM 1142 C PHE A 580 -4.928 -3.441 -5.026 1.00 0.00 C ATOM 1143 O PHE A 580 -5.488 -3.750 -6.077 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.071 -3.150 -2.776 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.695 -2.263 -1.710 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.872 -1.552 -0.821 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.092 -2.189 -1.556 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.409 -0.805 0.236 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.642 -1.410 -0.522 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.804 -0.707 0.368 1.00 0.00 C ATOM 0 H PHE A 580 -7.560 -2.214 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.810 -1.732 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -6.804 -3.904 -3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.228 -3.678 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.801 -1.582 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.740 -2.729 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.758 -0.310 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.714 -1.350 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 580 -8.233 -0.096 1.148 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.766 -3.984 -4.648 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.112 -5.149 -5.253 1.00 0.00 C ATOM 1162 C PHE A 581 -2.805 -6.123 -4.124 1.00 0.00 C ATOM 1163 O PHE A 581 -1.998 -5.804 -3.250 1.00 0.00 O ATOM 1164 CB PHE A 581 -1.863 -4.723 -6.040 1.00 0.00 C ATOM 1165 CG PHE A 581 -0.860 -5.777 -6.509 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.183 -6.581 -7.617 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.464 -5.809 -6.009 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.193 -7.380 -8.216 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.456 -6.620 -6.604 1.00 0.00 C ATOM 1170 CZ PHE A 581 1.117 -7.408 -7.713 1.00 0.00 C ATOM 0 H PHE A 581 -3.228 -3.602 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.758 -5.639 -5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.205 -4.184 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.318 -4.009 -5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.190 -6.585 -8.007 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.721 -5.201 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.445 -7.982 -9.077 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.462 -6.633 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.862 -8.035 -8.179 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.507 -7.252 -4.095 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.434 -8.306 -3.097 1.00 0.00 C ATOM 1182 C PHE A 582 -2.658 -9.485 -3.668 1.00 0.00 C ATOM 1183 O PHE A 582 -3.057 -10.073 -4.671 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.845 -8.760 -2.701 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.680 -7.827 -1.838 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -5.268 -6.526 -1.488 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.885 -8.319 -1.315 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -6.049 -5.749 -0.611 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.701 -7.516 -0.511 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.264 -6.244 -0.113 1.00 0.00 C ATOM 0 H PHE A 582 -4.190 -7.466 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.926 -7.925 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.402 -8.955 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.754 -9.710 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.351 -6.124 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.187 -9.332 -1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.711 -4.766 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.669 -7.876 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.856 -5.652 0.569 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.567 -9.844 -3.001 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.578 -10.810 -3.468 1.00 0.00 C ATOM 1202 C TYR A 583 -0.238 -11.797 -2.354 1.00 0.00 C ATOM 1203 O TYR A 583 -0.351 -11.490 -1.164 1.00 0.00 O ATOM 1204 CB TYR A 583 0.681 -10.058 -3.924 1.00 0.00 C ATOM 1205 CG TYR A 583 1.104 -8.997 -2.935 1.00 0.00 C ATOM 1206 CD1 TYR A 583 1.864 -9.334 -1.802 1.00 0.00 C ATOM 1207 CD2 TYR A 583 0.617 -7.692 -3.093 1.00 0.00 C ATOM 1208 CE1 TYR A 583 2.135 -8.363 -0.824 1.00 0.00 C ATOM 1209 CE2 TYR A 583 0.888 -6.720 -2.124 1.00 0.00 C ATOM 1210 CZ TYR A 583 1.646 -7.047 -0.981 1.00 0.00 C ATOM 1211 OH TYR A 583 1.914 -6.106 -0.040 1.00 0.00 O ATOM 0 H TYR A 583 -1.338 -9.456 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.985 -11.373 -4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.496 -10.769 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.494 -9.595 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 583 2.240 -10.340 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 583 0.032 -7.437 -3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 583 2.717 -8.622 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 583 0.515 -5.715 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 583 1.505 -5.255 -0.302 1.00 0.00 H new ATOM 1221 N THR A 584 0.210 -12.981 -2.755 1.00 0.00 N ATOM 1222 CA THR A 584 0.507 -14.112 -1.892 1.00 0.00 C ATOM 1223 C THR A 584 1.701 -13.826 -0.977 1.00 0.00 C ATOM 1224 O THR A 584 2.728 -13.318 -1.428 1.00 0.00 O ATOM 1225 CB THR A 584 0.738 -15.357 -2.771 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.668 -15.126 -3.810 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.577 -15.850 -3.388 1.00 0.00 C ATOM 0 H THR A 584 0.384 -13.186 -3.739 1.00 0.00 H new ATOM 0 HA THR A 584 -0.340 -14.296 -1.231 1.00 0.00 H new ATOM 0 HB THR A 584 1.147 -16.118 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.780 -15.945 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.383 -16.729 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.277 -16.110 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 584 -1.007 -15.062 -4.007 1.00 0.00 H new ATOM 1235 N SER A 585 1.609 -14.236 0.289 1.00 0.00 N ATOM 1236 CA SER A 585 2.721 -14.417 1.217 1.00 0.00 C ATOM 1237 C SER A 585 3.923 -15.120 0.592 1.00 0.00 C ATOM 1238 O SER A 585 5.061 -14.725 0.848 1.00 0.00 O ATOM 1239 CB SER A 585 2.249 -15.253 2.418 1.00 0.00 C ATOM 1240 OG SER A 585 0.996 -15.886 2.182 1.00 0.00 O ATOM 0 H SER A 585 0.710 -14.462 0.714 1.00 0.00 H new ATOM 0 HA SER A 585 3.040 -13.419 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 585 2.998 -16.011 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 585 2.169 -14.611 3.295 1.00 0.00 H new ATOM 0 HG SER A 585 0.739 -16.406 2.971 1.00 0.00 H new ATOM 1246 N LYS A 586 3.700 -16.201 -0.167 1.00 0.00 N ATOM 1247 CA LYS A 586 4.802 -16.975 -0.712 1.00 0.00 C ATOM 1248 C LYS A 586 5.648 -16.144 -1.677 1.00 0.00 C ATOM 1249 O LYS A 586 6.868 -16.303 -1.701 1.00 0.00 O ATOM 1250 CB LYS A 586 4.258 -18.280 -1.304 1.00 0.00 C ATOM 1251 CG LYS A 586 5.324 -19.389 -1.330 1.00 0.00 C ATOM 1252 CD LYS A 586 4.710 -20.780 -1.122 1.00 0.00 C ATOM 1253 CE LYS A 586 4.261 -20.992 0.334 1.00 0.00 C ATOM 1254 NZ LYS A 586 4.187 -22.420 0.710 1.00 0.00 N ATOM 0 H LYS A 586 2.773 -16.550 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 586 5.495 -17.253 0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.401 -18.614 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 586 3.900 -18.097 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.850 -19.364 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 586 6.064 -19.199 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 586 3.856 -20.904 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 586 5.439 -21.544 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 586 4.955 -20.481 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 586 3.283 -20.532 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 3.880 -22.503 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 3.505 -22.906 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 5.124 -22.857 0.601 1.00 0.00 H new ATOM 1268 N GLU A 587 5.035 -15.227 -2.427 1.00 0.00 N ATOM 1269 CA GLU A 587 5.765 -14.473 -3.433 1.00 0.00 C ATOM 1270 C GLU A 587 6.770 -13.517 -2.759 1.00 0.00 C ATOM 1271 O GLU A 587 6.381 -12.707 -1.907 1.00 0.00 O ATOM 1272 CB GLU A 587 4.782 -13.762 -4.372 1.00 0.00 C ATOM 1273 CG GLU A 587 5.532 -13.255 -5.608 1.00 0.00 C ATOM 1274 CD GLU A 587 4.651 -12.906 -6.819 1.00 0.00 C ATOM 1275 OE1 GLU A 587 3.415 -12.728 -6.707 1.00 0.00 O ATOM 1276 OE2 GLU A 587 5.223 -12.850 -7.933 1.00 0.00 O ATOM 0 H GLU A 587 4.045 -14.994 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 587 6.354 -15.150 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.988 -14.447 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.307 -12.929 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 587 6.102 -12.369 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.252 -14.015 -5.911 1.00 0.00 H new ATOM 1283 N PRO A 588 8.071 -13.580 -3.092 1.00 0.00 N ATOM 1284 CA PRO A 588 9.049 -12.683 -2.505 1.00 0.00 C ATOM 1285 C PRO A 588 8.851 -11.284 -3.032 1.00 0.00 C ATOM 1286 O PRO A 588 8.474 -11.055 -4.176 1.00 0.00 O ATOM 1287 CB PRO A 588 10.419 -13.248 -2.868 1.00 0.00 C ATOM 1288 CG PRO A 588 10.175 -14.085 -4.118 1.00 0.00 C ATOM 1289 CD PRO A 588 8.687 -14.445 -4.083 1.00 0.00 C ATOM 0 HA PRO A 588 8.948 -12.617 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.138 -12.451 -3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 588 10.824 -13.855 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.423 -13.525 -5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.796 -14.981 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 588 8.230 -14.298 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.549 -15.494 -3.821 1.00 0.00 H new ATOM 1297 N VAL A 589 9.289 -10.370 -2.191 1.00 0.00 N ATOM 1298 CA VAL A 589 9.752 -9.057 -2.520 1.00 0.00 C ATOM 1299 C VAL A 589 10.484 -8.919 -3.832 1.00 0.00 C ATOM 1300 O VAL A 589 10.038 -8.147 -4.679 1.00 0.00 O ATOM 1301 CB VAL A 589 10.406 -8.422 -1.285 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.049 -6.972 -1.012 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.839 -9.302 -0.113 1.00 0.00 C ATOM 0 H VAL A 589 9.330 -10.549 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 589 8.883 -8.446 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 589 11.423 -8.330 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.569 -6.632 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.348 -6.358 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 589 8.973 -6.884 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 589 11.280 -8.680 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.972 -9.826 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 589 11.575 -10.029 -0.456 1.00 0.00 H new ATOM 1313 N ALA A 590 11.546 -9.686 -4.065 1.00 0.00 N ATOM 1314 CA ALA A 590 12.246 -9.520 -5.320 1.00 0.00 C ATOM 1315 C ALA A 590 11.346 -9.870 -6.516 1.00 0.00 C ATOM 1316 O ALA A 590 11.541 -9.306 -7.592 1.00 0.00 O ATOM 1317 CB ALA A 590 13.494 -10.401 -5.327 1.00 0.00 C ATOM 0 H ALA A 590 11.921 -10.393 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 590 12.534 -8.473 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 590 14.022 -10.276 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 590 14.149 -10.111 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.203 -11.445 -5.209 1.00 0.00 H new ATOM 1323 N SER A 591 10.345 -10.744 -6.349 1.00 0.00 N ATOM 1324 CA SER A 591 9.411 -11.053 -7.422 1.00 0.00 C ATOM 1325 C SER A 591 8.365 -9.949 -7.595 1.00 0.00 C ATOM 1326 O SER A 591 8.213 -9.426 -8.700 1.00 0.00 O ATOM 1327 CB SER A 591 8.751 -12.396 -7.127 1.00 0.00 C ATOM 1328 OG SER A 591 9.456 -13.479 -7.700 1.00 0.00 O ATOM 0 H SER A 591 10.167 -11.246 -5.479 1.00 0.00 H new ATOM 0 HA SER A 591 9.957 -11.114 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.687 -12.537 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.730 -12.388 -7.508 1.00 0.00 H new ATOM 0 HG SER A 591 8.998 -14.318 -7.484 1.00 0.00 H new ATOM 1334 N ILE A 592 7.639 -9.590 -6.533 1.00 0.00 N ATOM 1335 CA ILE A 592 6.565 -8.604 -6.608 1.00 0.00 C ATOM 1336 C ILE A 592 7.092 -7.277 -7.146 1.00 0.00 C ATOM 1337 O ILE A 592 6.421 -6.651 -7.955 1.00 0.00 O ATOM 1338 CB ILE A 592 5.847 -8.443 -5.252 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.728 -7.778 -4.180 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.373 -9.801 -4.714 1.00 0.00 C ATOM 1341 CD1 ILE A 592 6.523 -6.278 -4.012 1.00 0.00 C ATOM 0 H ILE A 592 7.781 -9.976 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 592 5.816 -8.968 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 592 4.995 -7.793 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.538 -8.264 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.774 -7.960 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.870 -9.658 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.680 -10.252 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.232 -10.458 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 592 7.189 -5.905 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.744 -5.773 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 592 5.489 -6.082 -3.729 1.00 0.00 H new ATOM 1353 N ILE A 593 8.315 -6.882 -6.789 1.00 0.00 N ATOM 1354 CA ILE A 593 8.943 -5.661 -7.269 1.00 0.00 C ATOM 1355 C ILE A 593 8.977 -5.662 -8.793 1.00 0.00 C ATOM 1356 O ILE A 593 8.638 -4.653 -9.402 1.00 0.00 O ATOM 1357 CB ILE A 593 10.327 -5.533 -6.590 1.00 0.00 C ATOM 1358 CG1 ILE A 593 10.110 -4.863 -5.216 1.00 0.00 C ATOM 1359 CG2 ILE A 593 11.330 -4.736 -7.429 1.00 0.00 C ATOM 1360 CD1 ILE A 593 11.290 -5.017 -4.262 1.00 0.00 C ATOM 0 H ILE A 593 8.903 -7.414 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 593 8.373 -4.772 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 593 10.761 -6.527 -6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 593 9.913 -3.802 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 593 9.221 -5.289 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 593 12.282 -4.680 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.476 -5.231 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.947 -3.729 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 593 11.062 -4.520 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.475 -6.076 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 593 12.177 -4.565 -4.705 1.00 0.00 H new ATOM 1372 N THR A 594 9.336 -6.782 -9.421 1.00 0.00 N ATOM 1373 CA THR A 594 9.317 -6.891 -10.870 1.00 0.00 C ATOM 1374 C THR A 594 7.892 -6.753 -11.445 1.00 0.00 C ATOM 1375 O THR A 594 7.716 -6.209 -12.536 1.00 0.00 O ATOM 1376 CB THR A 594 10.144 -8.118 -11.284 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.447 -7.622 -11.573 1.00 0.00 O ATOM 1378 CG2 THR A 594 9.575 -8.919 -12.455 1.00 0.00 C ATOM 0 H THR A 594 9.644 -7.628 -8.941 1.00 0.00 H new ATOM 0 HA THR A 594 9.814 -6.045 -11.344 1.00 0.00 H new ATOM 0 HB THR A 594 10.139 -8.843 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 594 12.027 -8.364 -11.844 1.00 0.00 H new ATOM 0 HG21 THR A 594 10.230 -9.763 -12.670 1.00 0.00 H new ATOM 0 HG22 THR A 594 8.582 -9.287 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 594 9.507 -8.279 -13.335 1.00 0.00 H new ATOM 1386 N LYS A 595 6.885 -7.157 -10.674 1.00 0.00 N ATOM 1387 CA LYS A 595 5.467 -7.197 -11.044 1.00 0.00 C ATOM 1388 C LYS A 595 4.830 -5.812 -10.982 1.00 0.00 C ATOM 1389 O LYS A 595 4.145 -5.425 -11.923 1.00 0.00 O ATOM 1390 CB LYS A 595 4.709 -8.193 -10.141 1.00 0.00 C ATOM 1391 CG LYS A 595 3.515 -8.862 -10.854 1.00 0.00 C ATOM 1392 CD LYS A 595 3.324 -10.327 -10.421 1.00 0.00 C ATOM 1393 CE LYS A 595 4.386 -11.218 -11.073 1.00 0.00 C ATOM 1394 NZ LYS A 595 4.438 -12.591 -10.527 1.00 0.00 N ATOM 0 H LYS A 595 7.042 -7.484 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 595 5.398 -7.538 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.400 -8.964 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 595 4.350 -7.671 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 595 2.606 -8.300 -10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 595 3.669 -8.821 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.391 -10.404 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.329 -10.670 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 595 4.193 -11.271 -12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 595 5.363 -10.751 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 4.818 -13.237 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 5.053 -12.608 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 3.480 -12.895 -10.260 1.00 0.00 H new ATOM 1408 N LEU A 596 5.095 -5.037 -9.921 1.00 0.00 N ATOM 1409 CA LEU A 596 4.642 -3.647 -9.807 1.00 0.00 C ATOM 1410 C LEU A 596 5.034 -2.868 -11.064 1.00 0.00 C ATOM 1411 O LEU A 596 4.258 -2.065 -11.580 1.00 0.00 O ATOM 1412 CB LEU A 596 5.264 -2.948 -8.577 1.00 0.00 C ATOM 1413 CG LEU A 596 4.615 -3.127 -7.186 1.00 0.00 C ATOM 1414 CD1 LEU A 596 3.092 -3.190 -7.206 1.00 0.00 C ATOM 1415 CD2 LEU A 596 5.110 -4.349 -6.429 1.00 0.00 C ATOM 0 H LEU A 596 5.632 -5.359 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 596 3.558 -3.662 -9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.298 -3.284 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 596 5.291 -1.879 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 596 4.930 -2.220 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 596 2.720 -3.316 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.695 -2.266 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 596 2.771 -4.033 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 596 4.609 -4.406 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 596 4.891 -5.248 -7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 596 6.186 -4.270 -6.275 1.00 0.00 H new ATOM 1427 N ASN A 597 6.236 -3.119 -11.581 1.00 0.00 N ATOM 1428 CA ASN A 597 6.754 -2.416 -12.756 1.00 0.00 C ATOM 1429 C ASN A 597 5.925 -2.695 -14.001 1.00 0.00 C ATOM 1430 O ASN A 597 5.851 -1.841 -14.884 1.00 0.00 O ATOM 1431 CB ASN A 597 8.183 -2.841 -13.089 1.00 0.00 C ATOM 1432 CG ASN A 597 9.089 -2.866 -11.884 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.027 -2.024 -11.003 1.00 0.00 O ATOM 1434 ND2 ASN A 597 9.966 -3.837 -11.818 1.00 0.00 N ATOM 0 H ASN A 597 6.878 -3.814 -11.199 1.00 0.00 H new ATOM 0 HA ASN A 597 6.713 -1.359 -12.494 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.165 -3.832 -13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.595 -2.158 -13.832 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.605 -3.894 -11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.010 -4.536 -12.560 1.00 0.00 H new ATOM 1441 N SER A 598 5.354 -3.894 -14.099 1.00 0.00 N ATOM 1442 CA SER A 598 4.538 -4.315 -15.223 1.00 0.00 C ATOM 1443 C SER A 598 3.293 -3.445 -15.320 1.00 0.00 C ATOM 1444 O SER A 598 2.871 -3.110 -16.421 1.00 0.00 O ATOM 1445 CB SER A 598 4.148 -5.782 -15.018 1.00 0.00 C ATOM 1446 OG SER A 598 4.059 -6.430 -16.265 1.00 0.00 O ATOM 0 H SER A 598 5.451 -4.611 -13.381 1.00 0.00 H new ATOM 0 HA SER A 598 5.099 -4.209 -16.151 1.00 0.00 H new ATOM 0 HB2 SER A 598 4.887 -6.280 -14.391 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.193 -5.845 -14.496 1.00 0.00 H new ATOM 0 HG SER A 598 3.811 -7.368 -16.129 1.00 0.00 H new ATOM 1452 N LEU A 599 2.740 -3.062 -14.169 1.00 0.00 N ATOM 1453 CA LEU A 599 1.564 -2.256 -14.003 1.00 0.00 C ATOM 1454 C LEU A 599 1.975 -0.790 -14.164 1.00 0.00 C ATOM 1455 O LEU A 599 1.222 -0.020 -14.750 1.00 0.00 O ATOM 1456 CB LEU A 599 0.999 -2.591 -12.609 1.00 0.00 C ATOM 1457 CG LEU A 599 0.556 -4.061 -12.452 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.348 -4.361 -10.969 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.731 -4.361 -13.228 1.00 0.00 C ATOM 0 H LEU A 599 3.143 -3.335 -13.273 1.00 0.00 H new ATOM 0 HA LEU A 599 0.786 -2.449 -14.741 1.00 0.00 H new ATOM 0 HB2 LEU A 599 1.756 -2.367 -11.857 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.147 -1.941 -12.407 1.00 0.00 H new ATOM 0 HG LEU A 599 1.339 -4.698 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.035 -5.398 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.282 -4.199 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.421 -3.701 -10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -1.005 -5.407 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -1.535 -3.723 -12.860 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -0.570 -4.167 -14.288 1.00 0.00 H new ATOM 1471 N ASN A 600 3.197 -0.423 -13.729 1.00 0.00 N ATOM 1472 CA ASN A 600 3.821 0.912 -13.831 1.00 0.00 C ATOM 1473 C ASN A 600 2.978 2.019 -13.203 1.00 0.00 C ATOM 1474 O ASN A 600 3.225 3.207 -13.397 1.00 0.00 O ATOM 1475 CB ASN A 600 4.388 1.240 -15.241 1.00 0.00 C ATOM 1476 CG ASN A 600 3.623 0.638 -16.407 1.00 0.00 C ATOM 1477 OD1 ASN A 600 2.748 1.255 -17.008 1.00 0.00 O ATOM 1478 ND2 ASN A 600 3.954 -0.601 -16.740 1.00 0.00 N ATOM 0 H ASN A 600 3.813 -1.093 -13.268 1.00 0.00 H new ATOM 0 HA ASN A 600 4.713 0.865 -13.207 1.00 0.00 H new ATOM 0 HB2 ASN A 600 4.409 2.323 -15.363 1.00 0.00 H new ATOM 0 HB3 ASN A 600 5.420 0.894 -15.288 1.00 0.00 H new ATOM 0 HD21 ASN A 600 3.478 -1.066 -17.513 1.00 0.00 H new ATOM 0 HD22 ASN A 600 4.685 -1.090 -16.223 1.00 0.00 H new ATOM 1485 N GLU A 601 2.019 1.626 -12.382 1.00 0.00 N ATOM 1486 CA GLU A 601 1.041 2.492 -11.797 1.00 0.00 C ATOM 1487 C GLU A 601 1.638 3.328 -10.665 1.00 0.00 C ATOM 1488 O GLU A 601 2.593 2.895 -10.021 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.093 1.610 -11.271 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.859 0.949 -12.427 1.00 0.00 C ATOM 1491 CD GLU A 601 -2.326 1.363 -12.382 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.591 2.571 -12.597 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -3.222 0.540 -12.089 1.00 0.00 O ATOM 0 H GLU A 601 1.906 0.652 -12.101 1.00 0.00 H new ATOM 0 HA GLU A 601 0.673 3.194 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.314 0.842 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.778 2.211 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.419 1.241 -13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -0.776 -0.136 -12.357 1.00 0.00 H new ATOM 1500 N PRO A 602 1.058 4.503 -10.380 1.00 0.00 N ATOM 1501 CA PRO A 602 1.347 5.289 -9.194 1.00 0.00 C ATOM 1502 C PRO A 602 0.806 4.574 -7.965 1.00 0.00 C ATOM 1503 O PRO A 602 -0.406 4.558 -7.723 1.00 0.00 O ATOM 1504 CB PRO A 602 0.684 6.646 -9.399 1.00 0.00 C ATOM 1505 CG PRO A 602 -0.383 6.407 -10.471 1.00 0.00 C ATOM 1506 CD PRO A 602 0.040 5.133 -11.199 1.00 0.00 C ATOM 0 HA PRO A 602 2.418 5.420 -9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.239 7.012 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.408 7.394 -9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -1.370 6.292 -10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 602 -0.442 7.250 -11.159 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.811 4.467 -11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.430 5.365 -12.190 1.00 0.00 H new ATOM 1514 N LEU A 603 1.705 3.972 -7.192 1.00 0.00 N ATOM 1515 CA LEU A 603 1.297 3.221 -6.010 1.00 0.00 C ATOM 1516 C LEU A 603 1.400 4.085 -4.755 1.00 0.00 C ATOM 1517 O LEU A 603 2.122 5.090 -4.732 1.00 0.00 O ATOM 1518 CB LEU A 603 2.145 1.961 -5.780 1.00 0.00 C ATOM 1519 CG LEU A 603 2.276 0.988 -6.962 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.640 0.315 -6.813 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.178 -0.088 -7.016 1.00 0.00 C ATOM 0 H LEU A 603 2.711 3.989 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 603 0.265 2.922 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.147 2.275 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.721 1.416 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 603 2.172 1.552 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 603 3.789 -0.391 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.424 1.072 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.682 -0.216 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.343 -0.733 -7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.209 -0.685 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.203 0.391 -7.103 1.00 0.00 H new ATOM 1533 N VAL A 604 0.774 3.614 -3.676 1.00 0.00 N ATOM 1534 CA VAL A 604 0.830 4.159 -2.332 1.00 0.00 C ATOM 1535 C VAL A 604 0.856 2.998 -1.318 1.00 0.00 C ATOM 1536 O VAL A 604 -0.123 2.276 -1.109 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.303 5.205 -2.165 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.702 4.602 -2.231 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.197 5.983 -0.859 1.00 0.00 C ATOM 0 H VAL A 604 0.178 2.788 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 604 1.748 4.713 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 604 -0.162 5.876 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.444 5.390 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.845 4.118 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.819 3.865 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.015 6.700 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.254 5.292 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.754 6.514 -0.828 1.00 0.00 H new ATOM 1549 N THR A 605 2.019 2.734 -0.728 1.00 0.00 N ATOM 1550 CA THR A 605 2.181 1.696 0.294 1.00 0.00 C ATOM 1551 C THR A 605 3.331 2.001 1.259 1.00 0.00 C ATOM 1552 O THR A 605 3.694 3.157 1.461 1.00 0.00 O ATOM 1553 CB THR A 605 2.283 0.332 -0.403 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.128 -0.759 0.484 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.556 0.211 -1.246 1.00 0.00 C ATOM 0 H THR A 605 2.881 3.235 -0.944 1.00 0.00 H new ATOM 0 HA THR A 605 1.304 1.673 0.941 1.00 0.00 H new ATOM 0 HB THR A 605 1.437 0.283 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.431 -1.359 0.146 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.586 -0.770 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.559 0.985 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.430 0.331 -0.605 1.00 0.00 H new ATOM 1563 N MET A 606 3.835 0.968 1.928 1.00 0.00 N ATOM 1564 CA MET A 606 4.982 0.969 2.822 1.00 0.00 C ATOM 1565 C MET A 606 6.092 0.062 2.250 1.00 0.00 C ATOM 1566 O MET A 606 5.931 -0.453 1.138 1.00 0.00 O ATOM 1567 CB MET A 606 4.562 0.563 4.239 1.00 0.00 C ATOM 1568 CG MET A 606 3.080 0.649 4.512 1.00 0.00 C ATOM 1569 SD MET A 606 2.178 -0.855 4.088 1.00 0.00 S ATOM 1570 CE MET A 606 0.574 -0.069 4.013 1.00 0.00 C ATOM 0 H MET A 606 3.419 0.040 1.851 1.00 0.00 H new ATOM 0 HA MET A 606 5.388 1.978 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.891 -0.460 4.421 1.00 0.00 H new ATOM 0 HB3 MET A 606 5.086 1.198 4.953 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.926 0.869 5.568 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.663 1.484 3.948 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.203 -0.832 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 606 0.423 0.535 4.908 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.523 0.570 3.131 1.00 0.00 H new ATOM 1580 N PRO A 607 7.224 -0.149 2.950 1.00 0.00 N ATOM 1581 CA PRO A 607 8.243 -1.096 2.540 1.00 0.00 C ATOM 1582 C PRO A 607 7.704 -2.514 2.750 1.00 0.00 C ATOM 1583 O PRO A 607 7.929 -3.112 3.790 1.00 0.00 O ATOM 1584 CB PRO A 607 9.473 -0.766 3.393 1.00 0.00 C ATOM 1585 CG PRO A 607 8.939 -0.101 4.646 1.00 0.00 C ATOM 1586 CD PRO A 607 7.590 0.453 4.224 1.00 0.00 C ATOM 0 HA PRO A 607 8.515 -1.034 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 607 10.033 -1.669 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 607 10.154 -0.104 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.839 -0.814 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.604 0.690 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.836 0.231 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.638 1.538 4.131 1.00 0.00 H new ATOM 1594 N ILE A 608 6.944 -3.044 1.793 1.00 0.00 N ATOM 1595 CA ILE A 608 6.216 -4.304 1.929 1.00 0.00 C ATOM 1596 C ILE A 608 7.075 -5.429 2.519 1.00 0.00 C ATOM 1597 O ILE A 608 6.697 -6.007 3.540 1.00 0.00 O ATOM 1598 CB ILE A 608 5.526 -4.643 0.591 1.00 0.00 C ATOM 1599 CG1 ILE A 608 4.277 -3.752 0.426 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.155 -6.130 0.505 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.803 -3.635 -1.024 1.00 0.00 C ATOM 0 H ILE A 608 6.815 -2.601 0.884 1.00 0.00 H new ATOM 0 HA ILE A 608 5.427 -4.186 2.672 1.00 0.00 H new ATOM 0 HB ILE A 608 6.224 -4.445 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 608 3.468 -4.157 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.497 -2.756 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 608 4.671 -6.330 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.057 -6.736 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.472 -6.382 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 608 2.922 -2.995 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 608 4.597 -3.202 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.552 -4.625 -1.406 1.00 0.00 H new ATOM 1613 N GLY A 609 8.224 -5.736 1.920 1.00 0.00 N ATOM 1614 CA GLY A 609 9.161 -6.694 2.510 1.00 0.00 C ATOM 1615 C GLY A 609 9.915 -6.014 3.645 1.00 0.00 C ATOM 1616 O GLY A 609 11.054 -5.628 3.457 1.00 0.00 O ATOM 0 H GLY A 609 8.529 -5.339 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.623 -7.565 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.860 -7.051 1.754 1.00 0.00 H new ATOM 1620 N TYR A 610 9.290 -5.851 4.808 1.00 0.00 N ATOM 1621 CA TYR A 610 9.857 -5.271 6.028 1.00 0.00 C ATOM 1622 C TYR A 610 9.780 -6.262 7.187 1.00 0.00 C ATOM 1623 O TYR A 610 10.785 -6.505 7.844 1.00 0.00 O ATOM 1624 CB TYR A 610 9.166 -3.926 6.323 1.00 0.00 C ATOM 1625 CG TYR A 610 9.445 -3.287 7.664 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.745 -2.851 7.960 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.408 -3.093 8.598 1.00 0.00 C ATOM 1628 CE1 TYR A 610 11.028 -2.320 9.232 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.693 -2.568 9.873 1.00 0.00 C ATOM 1630 CZ TYR A 610 10.017 -2.219 10.213 1.00 0.00 C ATOM 1631 OH TYR A 610 10.302 -1.746 11.461 1.00 0.00 O ATOM 0 H TYR A 610 8.319 -6.136 4.934 1.00 0.00 H new ATOM 0 HA TYR A 610 10.918 -5.065 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.455 -3.219 5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 610 8.089 -4.073 6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.524 -2.922 7.216 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.392 -3.348 8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 610 12.029 -1.986 9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.898 -2.432 10.591 1.00 0.00 H new ATOM 0 HH TYR A 610 9.487 -1.745 12.004 1.00 0.00 H new ATOM 1641 N VAL A 611 8.623 -6.885 7.414 1.00 0.00 N ATOM 1642 CA VAL A 611 8.343 -7.670 8.618 1.00 0.00 C ATOM 1643 C VAL A 611 7.643 -8.973 8.228 1.00 0.00 C ATOM 1644 O VAL A 611 8.102 -10.045 8.614 1.00 0.00 O ATOM 1645 CB VAL A 611 7.557 -6.793 9.622 1.00 0.00 C ATOM 1646 CG1 VAL A 611 6.779 -7.572 10.691 1.00 0.00 C ATOM 1647 CG2 VAL A 611 8.491 -5.831 10.364 1.00 0.00 C ATOM 0 H VAL A 611 7.843 -6.858 6.758 1.00 0.00 H new ATOM 0 HA VAL A 611 9.261 -7.967 9.126 1.00 0.00 H new ATOM 0 HB VAL A 611 6.837 -6.267 8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.261 -6.872 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 611 6.051 -8.224 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.472 -8.175 11.278 1.00 0.00 H new ATOM 0 HG21 VAL A 611 7.911 -5.228 11.063 1.00 0.00 H new ATOM 0 HG22 VAL A 611 9.240 -6.402 10.913 1.00 0.00 H new ATOM 0 HG23 VAL A 611 8.987 -5.178 9.645 1.00 0.00 H new ATOM 1657 N THR A 612 6.624 -8.919 7.366 1.00 0.00 N ATOM 1658 CA THR A 612 5.970 -10.075 6.737 1.00 0.00 C ATOM 1659 C THR A 612 6.963 -11.062 6.087 1.00 0.00 C ATOM 1660 O THR A 612 6.629 -12.224 5.852 1.00 0.00 O ATOM 1661 CB THR A 612 4.885 -9.560 5.755 1.00 0.00 C ATOM 1662 OG1 THR A 612 4.452 -10.531 4.824 1.00 0.00 O ATOM 1663 CG2 THR A 612 5.341 -8.361 4.914 1.00 0.00 C ATOM 0 H THR A 612 6.213 -8.032 7.074 1.00 0.00 H new ATOM 0 HA THR A 612 5.488 -10.669 7.513 1.00 0.00 H new ATOM 0 HB THR A 612 4.075 -9.281 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 612 3.871 -11.179 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 612 4.533 -8.054 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.604 -7.533 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 612 6.211 -8.643 4.320 1.00 0.00 H new ATOM 1671 N HIS A 613 8.182 -10.634 5.757 1.00 0.00 N ATOM 1672 CA HIS A 613 9.217 -11.455 5.125 1.00 0.00 C ATOM 1673 C HIS A 613 10.516 -11.414 5.935 1.00 0.00 C ATOM 1674 O HIS A 613 11.569 -11.756 5.405 1.00 0.00 O ATOM 1675 CB HIS A 613 9.396 -10.997 3.669 1.00 0.00 C ATOM 1676 CG HIS A 613 8.312 -11.489 2.722 1.00 0.00 C ATOM 1677 ND1 HIS A 613 6.992 -11.793 3.028 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.517 -11.824 1.411 1.00 0.00 C ATOM 1679 CE1 HIS A 613 6.413 -12.259 1.911 1.00 0.00 C ATOM 1680 NE2 HIS A 613 7.312 -12.299 0.913 1.00 0.00 N ATOM 0 H HIS A 613 8.487 -9.676 5.927 1.00 0.00 H new ATOM 0 HA HIS A 613 8.912 -12.501 5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 613 9.418 -9.908 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.364 -11.344 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 613 9.445 -11.735 0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 613 5.379 -12.557 1.827 1.00 0.00 H new ATOM 0 HE2 HIS A 613 7.140 -12.621 -0.039 1.00 0.00 H new ATOM 1689 N GLY A 614 10.469 -10.960 7.191 1.00 0.00 N ATOM 1690 CA GLY A 614 11.631 -11.028 8.062 1.00 0.00 C ATOM 1691 C GLY A 614 12.773 -10.142 7.585 1.00 0.00 C ATOM 1692 O GLY A 614 13.935 -10.506 7.756 1.00 0.00 O ATOM 0 H GLY A 614 9.641 -10.545 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 614 11.342 -10.731 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 614 11.977 -12.060 8.120 1.00 0.00 H new ATOM 1696 N PHE A 615 12.458 -9.030 6.917 1.00 0.00 N ATOM 1697 CA PHE A 615 13.471 -8.087 6.466 1.00 0.00 C ATOM 1698 C PHE A 615 13.788 -7.144 7.636 1.00 0.00 C ATOM 1699 O PHE A 615 13.409 -7.384 8.789 1.00 0.00 O ATOM 1700 CB PHE A 615 12.982 -7.385 5.178 1.00 0.00 C ATOM 1701 CG PHE A 615 13.261 -8.097 3.856 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.433 -9.491 3.774 1.00 0.00 C ATOM 1703 CD2 PHE A 615 13.339 -7.346 2.668 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.696 -10.102 2.537 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.639 -7.941 1.435 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.820 -9.330 1.369 1.00 0.00 C ATOM 0 H PHE A 615 11.503 -8.764 6.678 1.00 0.00 H new ATOM 0 HA PHE A 615 14.406 -8.574 6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.906 -7.234 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 615 13.440 -6.397 5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.362 -10.094 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 615 13.163 -6.281 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.804 -11.175 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.730 -7.336 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 615 14.053 -9.804 0.427 1.00 0.00 H new ATOM 1716 N ASN A 616 14.514 -6.069 7.350 1.00 0.00 N ATOM 1717 CA ASN A 616 14.781 -4.967 8.262 1.00 0.00 C ATOM 1718 C ASN A 616 14.527 -3.688 7.489 1.00 0.00 C ATOM 1719 O ASN A 616 14.500 -3.734 6.259 1.00 0.00 O ATOM 1720 CB ASN A 616 16.239 -4.992 8.732 1.00 0.00 C ATOM 1721 CG ASN A 616 16.582 -6.290 9.447 1.00 0.00 C ATOM 1722 OD1 ASN A 616 16.239 -6.462 10.613 1.00 0.00 O ATOM 1723 ND2 ASN A 616 17.216 -7.226 8.764 1.00 0.00 N ATOM 0 H ASN A 616 14.950 -5.938 6.437 1.00 0.00 H new ATOM 0 HA ASN A 616 14.143 -5.041 9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.899 -4.865 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.419 -4.150 9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 616 17.433 -8.120 9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 616 17.489 -7.055 7.796 1.00 0.00 H new ATOM 1730 N LEU A 617 14.419 -2.544 8.167 1.00 0.00 N ATOM 1731 CA LEU A 617 14.117 -1.264 7.521 1.00 0.00 C ATOM 1732 C LEU A 617 15.091 -0.960 6.378 1.00 0.00 C ATOM 1733 O LEU A 617 14.685 -0.412 5.358 1.00 0.00 O ATOM 1734 CB LEU A 617 14.109 -0.130 8.566 1.00 0.00 C ATOM 1735 CG LEU A 617 13.428 1.164 8.062 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.923 0.957 7.814 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.594 2.312 9.069 1.00 0.00 C ATOM 0 H LEU A 617 14.538 -2.478 9.178 1.00 0.00 H new ATOM 0 HA LEU A 617 13.123 -1.335 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.596 -0.476 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.136 0.097 8.853 1.00 0.00 H new ATOM 0 HG LEU A 617 13.919 1.420 7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.481 1.889 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.782 0.180 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.439 0.655 8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 617 13.104 3.207 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 617 13.141 2.030 10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.655 2.515 9.218 1.00 0.00 H new ATOM 1749 N GLU A 618 16.349 -1.375 6.529 1.00 0.00 N ATOM 1750 CA GLU A 618 17.410 -1.191 5.544 1.00 0.00 C ATOM 1751 C GLU A 618 17.136 -2.027 4.307 1.00 0.00 C ATOM 1752 O GLU A 618 17.162 -1.528 3.191 1.00 0.00 O ATOM 1753 CB GLU A 618 18.752 -1.666 6.109 1.00 0.00 C ATOM 1754 CG GLU A 618 19.117 -1.006 7.428 1.00 0.00 C ATOM 1755 CD GLU A 618 20.326 -1.705 8.027 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.363 -1.800 7.330 1.00 0.00 O ATOM 1757 OE2 GLU A 618 20.226 -2.172 9.182 1.00 0.00 O ATOM 0 H GLU A 618 16.665 -1.863 7.367 1.00 0.00 H new ATOM 0 HA GLU A 618 17.444 -0.130 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.717 -2.746 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.537 -1.464 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.335 0.050 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 618 18.275 -1.058 8.118 1.00 0.00 H new ATOM 1764 N GLU A 619 16.941 -3.324 4.518 1.00 0.00 N ATOM 1765 CA GLU A 619 16.811 -4.316 3.453 1.00 0.00 C ATOM 1766 C GLU A 619 15.545 -4.050 2.666 1.00 0.00 C ATOM 1767 O GLU A 619 15.537 -4.087 1.439 1.00 0.00 O ATOM 1768 CB GLU A 619 16.779 -5.730 4.044 1.00 0.00 C ATOM 1769 CG GLU A 619 18.057 -5.938 4.870 1.00 0.00 C ATOM 1770 CD GLU A 619 18.481 -7.393 4.972 1.00 0.00 C ATOM 1771 OE1 GLU A 619 18.718 -8.023 3.913 1.00 0.00 O ATOM 1772 OE2 GLU A 619 18.686 -7.828 6.127 1.00 0.00 O ATOM 0 H GLU A 619 16.867 -3.725 5.453 1.00 0.00 H new ATOM 0 HA GLU A 619 17.671 -4.240 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.897 -5.859 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.716 -6.472 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.867 -5.362 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.900 -5.542 5.873 1.00 0.00 H new ATOM 1779 N ALA A 620 14.489 -3.717 3.399 1.00 0.00 N ATOM 1780 CA ALA A 620 13.232 -3.270 2.870 1.00 0.00 C ATOM 1781 C ALA A 620 13.461 -2.045 1.980 1.00 0.00 C ATOM 1782 O ALA A 620 13.034 -2.049 0.830 1.00 0.00 O ATOM 1783 CB ALA A 620 12.299 -3.023 4.057 1.00 0.00 C ATOM 0 H ALA A 620 14.499 -3.757 4.418 1.00 0.00 H new ATOM 0 HA ALA A 620 12.758 -4.012 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.330 -2.681 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 620 12.170 -3.949 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.731 -2.263 4.708 1.00 0.00 H new ATOM 1789 N ALA A 621 14.168 -1.018 2.468 1.00 0.00 N ATOM 1790 CA ALA A 621 14.516 0.161 1.682 1.00 0.00 C ATOM 1791 C ALA A 621 15.316 -0.200 0.426 1.00 0.00 C ATOM 1792 O ALA A 621 14.999 0.261 -0.668 1.00 0.00 O ATOM 1793 CB ALA A 621 15.273 1.170 2.556 1.00 0.00 C ATOM 0 H ALA A 621 14.515 -0.987 3.427 1.00 0.00 H new ATOM 0 HA ALA A 621 13.590 0.621 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.529 2.047 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.643 1.471 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.186 0.710 2.935 1.00 0.00 H new ATOM 1799 N ARG A 622 16.353 -1.023 0.569 1.00 0.00 N ATOM 1800 CA ARG A 622 17.266 -1.398 -0.507 1.00 0.00 C ATOM 1801 C ARG A 622 16.544 -2.184 -1.591 1.00 0.00 C ATOM 1802 O ARG A 622 16.749 -1.884 -2.767 1.00 0.00 O ATOM 1803 CB ARG A 622 18.462 -2.153 0.093 1.00 0.00 C ATOM 1804 CG ARG A 622 19.427 -1.121 0.693 1.00 0.00 C ATOM 1805 CD ARG A 622 20.170 -1.631 1.921 1.00 0.00 C ATOM 1806 NE ARG A 622 21.383 -2.401 1.617 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.345 -2.668 2.511 1.00 0.00 C ATOM 1808 NH1 ARG A 622 22.333 -2.097 3.719 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.307 -3.524 2.185 1.00 0.00 N ATOM 0 H ARG A 622 16.587 -1.459 1.461 1.00 0.00 H new ATOM 0 HA ARG A 622 17.648 -0.504 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 622 18.126 -2.850 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.964 -2.742 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 622 20.152 -0.828 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.868 -0.225 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 622 20.441 -0.780 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.495 -2.255 2.507 1.00 0.00 H new ATOM 0 HE ARG A 622 21.500 -2.754 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 622 21.586 -1.450 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 622 23.071 -2.309 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 622 23.306 -3.967 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.047 -3.739 2.854 1.00 0.00 H new ATOM 1823 N CYS A 623 15.666 -3.119 -1.222 1.00 0.00 N ATOM 1824 CA CYS A 623 14.821 -3.809 -2.186 1.00 0.00 C ATOM 1825 C CYS A 623 13.906 -2.796 -2.889 1.00 0.00 C ATOM 1826 O CYS A 623 13.713 -2.868 -4.097 1.00 0.00 O ATOM 1827 CB CYS A 623 14.015 -4.934 -1.499 1.00 0.00 C ATOM 1828 SG CYS A 623 13.862 -6.359 -2.615 1.00 0.00 S ATOM 0 H CYS A 623 15.525 -3.414 -0.256 1.00 0.00 H new ATOM 0 HA CYS A 623 15.447 -4.282 -2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.510 -5.236 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 623 13.025 -4.568 -1.225 1.00 0.00 H new ATOM 0 HG CYS A 623 13.375 -7.372 -1.961 1.00 0.00 H new ATOM 1834 N MET A 624 13.348 -1.826 -2.162 1.00 0.00 N ATOM 1835 CA MET A 624 12.435 -0.836 -2.729 1.00 0.00 C ATOM 1836 C MET A 624 13.123 0.071 -3.757 1.00 0.00 C ATOM 1837 O MET A 624 12.480 0.430 -4.743 1.00 0.00 O ATOM 1838 CB MET A 624 11.775 -0.033 -1.606 1.00 0.00 C ATOM 1839 CG MET A 624 10.858 -0.929 -0.759 1.00 0.00 C ATOM 1840 SD MET A 624 9.131 -0.986 -1.257 1.00 0.00 S ATOM 1841 CE MET A 624 8.703 0.716 -0.834 1.00 0.00 C ATOM 0 H MET A 624 13.517 -1.706 -1.163 1.00 0.00 H new ATOM 0 HA MET A 624 11.657 -1.368 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.542 0.412 -0.972 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.197 0.788 -2.031 1.00 0.00 H new ATOM 0 HG2 MET A 624 11.255 -1.944 -0.780 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.906 -0.589 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.636 0.781 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.268 1.026 0.045 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.946 1.371 -1.671 1.00 0.00 H new ATOM 1851 N ARG A 625 14.415 0.389 -3.613 1.00 0.00 N ATOM 1852 CA ARG A 625 15.195 1.018 -4.696 1.00 0.00 C ATOM 1853 C ARG A 625 15.218 0.191 -5.986 1.00 0.00 C ATOM 1854 O ARG A 625 15.345 0.770 -7.065 1.00 0.00 O ATOM 1855 CB ARG A 625 16.632 1.343 -4.266 1.00 0.00 C ATOM 1856 CG ARG A 625 16.645 2.226 -3.020 1.00 0.00 C ATOM 1857 CD ARG A 625 17.995 2.880 -2.727 1.00 0.00 C ATOM 1858 NE ARG A 625 18.380 4.021 -3.584 1.00 0.00 N ATOM 1859 CZ ARG A 625 17.751 5.180 -3.818 1.00 0.00 C ATOM 1860 NH1 ARG A 625 16.436 5.354 -3.729 1.00 0.00 N ATOM 1861 NH2 ARG A 625 18.488 6.219 -4.158 1.00 0.00 N ATOM 0 H ARG A 625 14.946 0.223 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 625 14.672 1.951 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.173 0.418 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.153 1.848 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.893 3.007 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.351 1.625 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.991 3.219 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.768 2.116 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 625 19.266 3.908 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 625 15.835 4.573 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 625 16.028 6.269 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 625 19.501 6.123 -4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 625 18.046 7.119 -4.344 1.00 0.00 H new ATOM 1875 N SER A 626 15.085 -1.135 -5.923 1.00 0.00 N ATOM 1876 CA SER A 626 14.974 -1.976 -7.112 1.00 0.00 C ATOM 1877 C SER A 626 13.586 -1.894 -7.768 1.00 0.00 C ATOM 1878 O SER A 626 13.367 -2.519 -8.809 1.00 0.00 O ATOM 1879 CB SER A 626 15.274 -3.435 -6.755 1.00 0.00 C ATOM 1880 OG SER A 626 16.445 -3.583 -5.966 1.00 0.00 O ATOM 0 H SER A 626 15.051 -1.654 -5.046 1.00 0.00 H new ATOM 0 HA SER A 626 15.704 -1.602 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 626 14.424 -3.854 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 626 15.385 -4.012 -7.673 1.00 0.00 H new ATOM 0 HG SER A 626 16.587 -4.532 -5.767 1.00 0.00 H new ATOM 1886 N LEU A 627 12.618 -1.192 -7.170 1.00 0.00 N ATOM 1887 CA LEU A 627 11.277 -1.026 -7.710 1.00 0.00 C ATOM 1888 C LEU A 627 11.304 0.094 -8.736 1.00 0.00 C ATOM 1889 O LEU A 627 11.827 1.181 -8.494 1.00 0.00 O ATOM 1890 CB LEU A 627 10.288 -0.813 -6.558 1.00 0.00 C ATOM 1891 CG LEU A 627 8.858 -1.304 -6.833 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.039 -1.242 -5.544 1.00 0.00 C ATOM 1893 CD2 LEU A 627 8.116 -0.518 -7.889 1.00 0.00 C ATOM 0 H LEU A 627 12.754 -0.716 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 627 10.933 -1.918 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.668 -1.324 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.252 0.250 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 627 8.969 -2.322 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.025 -1.590 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.501 -1.877 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 627 8.006 -0.214 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.117 -0.934 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 627 8.038 0.524 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.657 -0.576 -8.833 1.00 0.00 H new ATOM 1905 N LYS A 628 10.801 -0.216 -9.927 1.00 0.00 N ATOM 1906 CA LYS A 628 10.902 0.616 -11.118 1.00 0.00 C ATOM 1907 C LYS A 628 9.583 1.375 -11.344 1.00 0.00 C ATOM 1908 O LYS A 628 9.506 2.212 -12.243 1.00 0.00 O ATOM 1909 CB LYS A 628 11.312 -0.234 -12.341 1.00 0.00 C ATOM 1910 CG LYS A 628 12.583 -1.071 -12.089 1.00 0.00 C ATOM 1911 CD LYS A 628 12.686 -2.454 -12.750 1.00 0.00 C ATOM 1912 CE LYS A 628 13.135 -3.398 -11.638 1.00 0.00 C ATOM 1913 NZ LYS A 628 13.161 -4.824 -12.018 1.00 0.00 N ATOM 0 H LYS A 628 10.294 -1.085 -10.094 1.00 0.00 H new ATOM 0 HA LYS A 628 11.685 1.360 -10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.491 -0.900 -12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.479 0.423 -13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 628 13.440 -0.482 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.683 -1.209 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 628 11.727 -2.764 -13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.402 -2.445 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 628 14.132 -3.104 -11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 628 12.469 -3.275 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 13.476 -5.394 -11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 12.207 -5.125 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 13.818 -4.960 -12.813 1.00 0.00 H new ATOM 1927 N ALA A 629 8.530 1.069 -10.574 1.00 0.00 N ATOM 1928 CA ALA A 629 7.271 1.808 -10.594 1.00 0.00 C ATOM 1929 C ALA A 629 7.363 3.019 -9.652 1.00 0.00 C ATOM 1930 O ALA A 629 8.087 2.952 -8.649 1.00 0.00 O ATOM 1931 CB ALA A 629 6.104 0.908 -10.154 1.00 0.00 C ATOM 0 H ALA A 629 8.534 0.291 -9.914 1.00 0.00 H new ATOM 0 HA ALA A 629 7.088 2.147 -11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.176 1.479 -10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.024 0.059 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.284 0.548 -9.141 1.00 0.00 H new ATOM 1937 N PRO A 630 6.577 4.078 -9.899 1.00 0.00 N ATOM 1938 CA PRO A 630 6.321 5.112 -8.912 1.00 0.00 C ATOM 1939 C PRO A 630 5.586 4.520 -7.725 1.00 0.00 C ATOM 1940 O PRO A 630 4.586 3.818 -7.886 1.00 0.00 O ATOM 1941 CB PRO A 630 5.466 6.171 -9.594 1.00 0.00 C ATOM 1942 CG PRO A 630 4.904 5.490 -10.837 1.00 0.00 C ATOM 1943 CD PRO A 630 5.851 4.336 -11.129 1.00 0.00 C ATOM 0 HA PRO A 630 7.250 5.547 -8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.667 6.515 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.059 7.046 -9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 630 3.889 5.131 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 630 4.858 6.183 -11.677 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.299 3.452 -11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.536 4.591 -11.938 1.00 0.00 H new ATOM 1951 N ALA A 631 6.067 4.796 -6.519 1.00 0.00 N ATOM 1952 CA ALA A 631 5.528 4.161 -5.339 1.00 0.00 C ATOM 1953 C ALA A 631 5.809 5.000 -4.098 1.00 0.00 C ATOM 1954 O ALA A 631 6.944 5.032 -3.621 1.00 0.00 O ATOM 1955 CB ALA A 631 6.113 2.746 -5.230 1.00 0.00 C ATOM 0 H ALA A 631 6.826 5.453 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 631 4.444 4.082 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.714 2.255 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 631 5.842 2.171 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.199 2.806 -5.154 1.00 0.00 H new ATOM 1961 N VAL A 632 4.784 5.662 -3.565 1.00 0.00 N ATOM 1962 CA VAL A 632 4.854 6.324 -2.261 1.00 0.00 C ATOM 1963 C VAL A 632 5.154 5.261 -1.204 1.00 0.00 C ATOM 1964 O VAL A 632 4.726 4.105 -1.342 1.00 0.00 O ATOM 1965 CB VAL A 632 3.538 7.089 -1.992 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.415 7.633 -0.568 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.384 8.245 -2.974 1.00 0.00 C ATOM 0 H VAL A 632 3.879 5.755 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 632 5.653 7.065 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 632 2.744 6.355 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.465 8.156 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.458 6.807 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 632 4.235 8.324 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.452 8.773 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.223 8.932 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.367 7.857 -3.993 1.00 0.00 H new ATOM 1977 N VAL A 633 5.896 5.650 -0.167 1.00 0.00 N ATOM 1978 CA VAL A 633 6.320 4.767 0.907 1.00 0.00 C ATOM 1979 C VAL A 633 5.914 5.382 2.242 1.00 0.00 C ATOM 1980 O VAL A 633 5.667 6.582 2.340 1.00 0.00 O ATOM 1981 CB VAL A 633 7.832 4.479 0.822 1.00 0.00 C ATOM 1982 CG1 VAL A 633 8.139 3.164 1.547 1.00 0.00 C ATOM 1983 CG2 VAL A 633 8.365 4.315 -0.603 1.00 0.00 C ATOM 0 H VAL A 633 6.223 6.609 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 633 5.824 3.801 0.811 1.00 0.00 H new ATOM 0 HB VAL A 633 8.314 5.347 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 633 9.208 2.957 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.842 3.247 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.586 2.351 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 633 9.436 4.115 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.855 3.483 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 633 8.184 5.230 -1.167 1.00 0.00 H new ATOM 1993 N SER A 634 5.874 4.567 3.289 1.00 0.00 N ATOM 1994 CA SER A 634 5.440 4.968 4.611 1.00 0.00 C ATOM 1995 C SER A 634 6.267 4.265 5.678 1.00 0.00 C ATOM 1996 O SER A 634 6.908 3.258 5.405 1.00 0.00 O ATOM 1997 CB SER A 634 3.961 4.607 4.733 1.00 0.00 C ATOM 1998 OG SER A 634 3.324 5.236 5.839 1.00 0.00 O ATOM 0 H SER A 634 6.150 3.587 3.235 1.00 0.00 H new ATOM 0 HA SER A 634 5.578 6.039 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 634 3.447 4.891 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 634 3.864 3.526 4.832 1.00 0.00 H new ATOM 0 HG SER A 634 2.381 4.971 5.867 1.00 0.00 H new ATOM 2004 N VAL A 635 6.190 4.749 6.906 1.00 0.00 N ATOM 2005 CA VAL A 635 6.578 4.061 8.135 1.00 0.00 C ATOM 2006 C VAL A 635 5.472 4.342 9.155 1.00 0.00 C ATOM 2007 O VAL A 635 4.438 4.913 8.784 1.00 0.00 O ATOM 2008 CB VAL A 635 8.001 4.478 8.586 1.00 0.00 C ATOM 2009 CG1 VAL A 635 9.092 3.552 8.021 1.00 0.00 C ATOM 2010 CG2 VAL A 635 8.324 5.928 8.218 1.00 0.00 C ATOM 0 H VAL A 635 5.835 5.688 7.087 1.00 0.00 H new ATOM 0 HA VAL A 635 6.660 2.983 7.999 1.00 0.00 H new ATOM 0 HB VAL A 635 7.999 4.386 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 635 10.069 3.888 8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.917 2.532 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 635 9.064 3.579 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 635 9.331 6.173 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 635 8.263 6.051 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.608 6.594 8.700 1.00 0.00 H new ATOM 2020 N SER A 636 5.640 3.896 10.403 1.00 0.00 N ATOM 2021 CA SER A 636 4.701 4.150 11.491 1.00 0.00 C ATOM 2022 C SER A 636 5.317 5.036 12.592 1.00 0.00 C ATOM 2023 O SER A 636 4.758 5.134 13.691 1.00 0.00 O ATOM 2024 CB SER A 636 4.114 2.827 12.001 1.00 0.00 C ATOM 2025 OG SER A 636 5.121 1.925 12.410 1.00 0.00 O ATOM 0 H SER A 636 6.446 3.340 10.687 1.00 0.00 H new ATOM 0 HA SER A 636 3.864 4.735 11.110 1.00 0.00 H new ATOM 0 HB2 SER A 636 3.444 3.026 12.837 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.515 2.369 11.214 1.00 0.00 H new ATOM 0 HG SER A 636 4.707 1.096 12.729 1.00 0.00 H new ATOM 2031 N SER A 637 6.461 5.673 12.320 1.00 0.00 N ATOM 2032 CA SER A 637 7.078 6.684 13.164 1.00 0.00 C ATOM 2033 C SER A 637 7.699 7.772 12.280 1.00 0.00 C ATOM 2034 O SER A 637 8.303 7.448 11.254 1.00 0.00 O ATOM 2035 CB SER A 637 8.145 6.052 14.066 1.00 0.00 C ATOM 2036 OG SER A 637 8.983 5.158 13.364 1.00 0.00 O ATOM 0 H SER A 637 6.997 5.487 11.473 1.00 0.00 H new ATOM 0 HA SER A 637 6.317 7.131 13.804 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.752 6.839 14.513 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.658 5.522 14.884 1.00 0.00 H new ATOM 0 HG SER A 637 9.647 4.782 13.978 1.00 0.00 H new ATOM 2042 N PRO A 638 7.625 9.052 12.688 1.00 0.00 N ATOM 2043 CA PRO A 638 8.214 10.160 11.940 1.00 0.00 C ATOM 2044 C PRO A 638 9.739 10.060 11.958 1.00 0.00 C ATOM 2045 O PRO A 638 10.413 10.385 10.985 1.00 0.00 O ATOM 2046 CB PRO A 638 7.722 11.422 12.650 1.00 0.00 C ATOM 2047 CG PRO A 638 7.545 10.964 14.098 1.00 0.00 C ATOM 2048 CD PRO A 638 7.072 9.519 13.948 1.00 0.00 C ATOM 0 HA PRO A 638 7.924 10.159 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.443 12.235 12.571 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.786 11.784 12.225 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.478 11.027 14.658 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.814 11.575 14.628 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.419 8.905 14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.984 9.462 13.943 1.00 0.00 H new ATOM 2056 N ASP A 639 10.272 9.536 13.060 1.00 0.00 N ATOM 2057 CA ASP A 639 11.691 9.326 13.306 1.00 0.00 C ATOM 2058 C ASP A 639 12.303 8.405 12.248 1.00 0.00 C ATOM 2059 O ASP A 639 13.476 8.520 11.899 1.00 0.00 O ATOM 2060 CB ASP A 639 11.808 8.689 14.692 1.00 0.00 C ATOM 2061 CG ASP A 639 13.147 8.966 15.360 1.00 0.00 C ATOM 2062 OD1 ASP A 639 14.186 8.470 14.870 1.00 0.00 O ATOM 2063 OD2 ASP A 639 13.134 9.646 16.410 1.00 0.00 O ATOM 0 H ASP A 639 9.693 9.232 13.843 1.00 0.00 H new ATOM 0 HA ASP A 639 12.231 10.272 13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.006 9.064 15.328 1.00 0.00 H new ATOM 0 HB3 ASP A 639 11.667 7.612 14.604 1.00 0.00 H new ATOM 2068 N ALA A 640 11.481 7.507 11.703 1.00 0.00 N ATOM 2069 CA ALA A 640 11.867 6.503 10.734 1.00 0.00 C ATOM 2070 C ALA A 640 11.659 7.001 9.312 1.00 0.00 C ATOM 2071 O ALA A 640 12.242 6.411 8.409 1.00 0.00 O ATOM 2072 CB ALA A 640 11.065 5.216 10.936 1.00 0.00 C ATOM 0 H ALA A 640 10.490 7.465 11.940 1.00 0.00 H new ATOM 0 HA ALA A 640 12.927 6.298 10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.372 4.476 10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 640 11.249 4.826 11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 640 10.002 5.427 10.818 1.00 0.00 H new ATOM 2078 N VAL A 641 10.877 8.065 9.081 1.00 0.00 N ATOM 2079 CA VAL A 641 10.788 8.681 7.758 1.00 0.00 C ATOM 2080 C VAL A 641 12.195 9.137 7.410 1.00 0.00 C ATOM 2081 O VAL A 641 12.699 8.833 6.334 1.00 0.00 O ATOM 2082 CB VAL A 641 9.801 9.868 7.749 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.734 10.563 6.379 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.386 9.411 8.097 1.00 0.00 C ATOM 0 H VAL A 641 10.300 8.513 9.793 1.00 0.00 H new ATOM 0 HA VAL A 641 10.407 7.971 7.024 1.00 0.00 H new ATOM 0 HB VAL A 641 10.177 10.568 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.026 11.391 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.721 10.944 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.407 9.848 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.713 10.268 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.051 8.675 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.382 8.963 9.091 1.00 0.00 H new ATOM 2094 N THR A 642 12.840 9.794 8.370 1.00 0.00 N ATOM 2095 CA THR A 642 14.178 10.299 8.313 1.00 0.00 C ATOM 2096 C THR A 642 15.128 9.122 8.131 1.00 0.00 C ATOM 2097 O THR A 642 15.947 9.168 7.213 1.00 0.00 O ATOM 2098 CB THR A 642 14.377 11.052 9.641 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.431 12.105 9.783 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.778 11.637 9.739 1.00 0.00 C ATOM 0 H THR A 642 12.395 9.993 9.266 1.00 0.00 H new ATOM 0 HA THR A 642 14.372 10.976 7.481 1.00 0.00 H new ATOM 0 HB THR A 642 14.232 10.325 10.440 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.579 12.565 10.636 1.00 0.00 H new ATOM 0 HG21 THR A 642 15.887 12.162 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.513 10.834 9.682 1.00 0.00 H new ATOM 0 HG23 THR A 642 15.939 12.335 8.917 1.00 0.00 H new ATOM 2108 N THR A 643 15.017 8.075 8.956 1.00 0.00 N ATOM 2109 CA THR A 643 15.932 6.951 8.886 1.00 0.00 C ATOM 2110 C THR A 643 15.857 6.252 7.517 1.00 0.00 C ATOM 2111 O THR A 643 16.876 6.065 6.856 1.00 0.00 O ATOM 2112 CB THR A 643 15.665 5.994 10.058 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.659 6.702 11.281 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.703 4.884 10.163 1.00 0.00 C ATOM 0 H THR A 643 14.300 7.991 9.677 1.00 0.00 H new ATOM 0 HA THR A 643 16.956 7.314 8.980 1.00 0.00 H new ATOM 0 HB THR A 643 14.693 5.542 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.815 7.192 11.371 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.462 4.240 11.009 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.700 4.295 9.246 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.690 5.322 10.310 1.00 0.00 H new ATOM 2122 N TYR A 644 14.652 5.907 7.057 1.00 0.00 N ATOM 2123 CA TYR A 644 14.412 5.231 5.794 1.00 0.00 C ATOM 2124 C TYR A 644 14.892 6.088 4.620 1.00 0.00 C ATOM 2125 O TYR A 644 15.577 5.605 3.717 1.00 0.00 O ATOM 2126 CB TYR A 644 12.909 4.956 5.691 1.00 0.00 C ATOM 2127 CG TYR A 644 12.537 4.148 4.475 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.336 4.779 3.238 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.393 2.760 4.590 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.977 4.023 2.112 1.00 0.00 C ATOM 2131 CE2 TYR A 644 12.077 1.986 3.462 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.855 2.622 2.218 1.00 0.00 C ATOM 2133 OH TYR A 644 11.517 1.895 1.119 1.00 0.00 O ATOM 0 H TYR A 644 13.794 6.099 7.574 1.00 0.00 H new ATOM 0 HA TYR A 644 14.969 4.295 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.581 4.427 6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.373 5.905 5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.458 5.849 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.525 2.283 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.795 4.513 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 644 12.004 0.912 3.544 1.00 0.00 H new ATOM 0 HH TYR A 644 12.191 2.027 0.420 1.00 0.00 H new ATOM 2143 N ASN A 645 14.558 7.382 4.639 1.00 0.00 N ATOM 2144 CA ASN A 645 15.033 8.344 3.643 1.00 0.00 C ATOM 2145 C ASN A 645 16.559 8.461 3.678 1.00 0.00 C ATOM 2146 O ASN A 645 17.173 8.820 2.670 1.00 0.00 O ATOM 2147 CB ASN A 645 14.368 9.723 3.852 1.00 0.00 C ATOM 2148 CG ASN A 645 13.009 9.837 3.151 1.00 0.00 C ATOM 2149 OD1 ASN A 645 12.715 9.140 2.181 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.141 10.741 3.566 1.00 0.00 N ATOM 0 H ASN A 645 13.949 7.792 5.348 1.00 0.00 H new ATOM 0 HA ASN A 645 14.748 7.977 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.238 9.901 4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.032 10.502 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.249 10.850 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.363 11.330 4.368 1.00 0.00 H new ATOM 2157 N GLY A 646 17.186 8.145 4.813 1.00 0.00 N ATOM 2158 CA GLY A 646 18.613 7.926 4.967 1.00 0.00 C ATOM 2159 C GLY A 646 19.066 6.835 4.018 1.00 0.00 C ATOM 2160 O GLY A 646 19.844 7.114 3.113 1.00 0.00 O ATOM 0 H GLY A 646 16.680 8.031 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.157 8.848 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.839 7.644 5.995 1.00 0.00 H new ATOM 2164 N TYR A 647 18.528 5.624 4.157 1.00 0.00 N ATOM 2165 CA TYR A 647 18.914 4.460 3.358 1.00 0.00 C ATOM 2166 C TYR A 647 18.742 4.699 1.867 1.00 0.00 C ATOM 2167 O TYR A 647 19.541 4.206 1.070 1.00 0.00 O ATOM 2168 CB TYR A 647 18.088 3.238 3.782 1.00 0.00 C ATOM 2169 CG TYR A 647 18.143 2.911 5.258 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.314 3.152 6.002 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.003 2.395 5.896 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.342 2.914 7.380 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.033 2.144 7.275 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.199 2.404 8.024 1.00 0.00 C ATOM 2175 OH TYR A 647 18.211 2.176 9.360 1.00 0.00 O ATOM 0 H TYR A 647 17.799 5.420 4.840 1.00 0.00 H new ATOM 0 HA TYR A 647 19.973 4.279 3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.048 3.405 3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.435 2.371 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.198 3.524 5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.108 2.193 5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.237 3.121 7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.157 1.749 7.767 1.00 0.00 H new ATOM 0 HH TYR A 647 17.340 1.825 9.640 1.00 0.00 H new ATOM 2185 N LEU A 648 17.713 5.457 1.492 1.00 0.00 N ATOM 2186 CA LEU A 648 17.501 5.826 0.106 1.00 0.00 C ATOM 2187 C LEU A 648 18.634 6.736 -0.362 1.00 0.00 C ATOM 2188 O LEU A 648 19.295 6.414 -1.342 1.00 0.00 O ATOM 2189 CB LEU A 648 16.104 6.433 -0.088 1.00 0.00 C ATOM 2190 CG LEU A 648 14.919 5.458 0.149 1.00 0.00 C ATOM 2191 CD1 LEU A 648 13.764 5.802 -0.793 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.216 3.972 -0.084 1.00 0.00 C ATOM 0 H LEU A 648 17.014 5.826 2.137 1.00 0.00 H new ATOM 0 HA LEU A 648 17.527 4.937 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 648 15.997 7.281 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.034 6.825 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 648 14.687 5.592 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 648 12.937 5.114 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.432 6.823 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.099 5.715 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.318 3.386 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.530 3.821 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 648 16.012 3.650 0.588 1.00 0.00 H new ATOM 2204 N THR A 649 18.918 7.828 0.352 1.00 0.00 N ATOM 2205 CA THR A 649 19.999 8.738 -0.032 1.00 0.00 C ATOM 2206 C THR A 649 21.380 8.050 0.050 1.00 0.00 C ATOM 2207 O THR A 649 22.275 8.393 -0.719 1.00 0.00 O ATOM 2208 CB THR A 649 19.917 10.010 0.831 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.608 10.555 0.765 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.867 11.125 0.380 1.00 0.00 C ATOM 0 H THR A 649 18.416 8.103 1.196 1.00 0.00 H new ATOM 0 HA THR A 649 19.877 9.025 -1.077 1.00 0.00 H new ATOM 0 HB THR A 649 20.195 9.692 1.836 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.015 10.056 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.752 11.988 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 649 21.896 10.768 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.630 11.413 -0.644 1.00 0.00 H new