USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 781 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 65 SER OG : rot -134:sc= 0.678 USER MOD Set 1.2: A 74 HIS : no HD1:sc= 1.35 K(o=2,f=-15!) USER MOD Set 2.1: A 26 HIS : no HD1:sc= -4.56! C(o=-3.5!,f=-9.3!) USER MOD Set 2.2: A 96 THR OG1 : rot -60:sc= 1.1 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -160:sc= -1.32 (180deg=-2.72!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 73:sc= 0.203 USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= -0.245 (180deg=-0.272) USER MOD Single : A 68 TYR OH : rot 60:sc= 1.1 USER MOD Single : A 69 ASN : amide:sc=-0.00459 K(o=-0.0046,f=0.8) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0.516 (180deg=0.345) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.258) USER MOD Single : A 78 MET CE :methyl 179:sc= 0 (180deg=-0.000201) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.002 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 156:sc= -1.61 USER MOD Single : A 103 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.5!) USER MOD Single : A 104 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.2) USER MOD Single : A 105 ASN : amide:sc= -1.17! X(o=-1.2!,f=-1.3) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot -107:sc= -0.897 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 102:sc= 1.03 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.2!) USER MOD Single : A 123 LYS NZ :NH3+ 143:sc= 1.16 (180deg=0.28) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.021 -10.443 -9.468 1.00 0.00 N ATOM 297 CA LEU A 23 3.051 -9.192 -8.718 1.00 0.00 C ATOM 298 C LEU A 23 4.032 -8.205 -9.344 1.00 0.00 C ATOM 299 O LEU A 23 3.879 -6.991 -9.205 1.00 0.00 O ATOM 300 CB LEU A 23 3.435 -9.457 -7.261 1.00 0.00 C ATOM 301 CG LEU A 23 2.558 -10.456 -6.507 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.149 -10.759 -5.138 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.139 -9.924 -6.371 1.00 0.00 C ATOM 0 HA LEU A 23 2.054 -8.754 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.464 -9.817 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.416 -8.509 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 23 2.524 -11.383 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.511 -11.472 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.146 -11.184 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.214 -9.838 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.529 -10.649 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.154 -8.982 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.716 -9.759 -7.362 1.00 0.00 H new ATOM 315 N SER A 24 5.037 -8.735 -10.033 1.00 0.00 N ATOM 316 CA SER A 24 6.044 -7.901 -10.679 1.00 0.00 C ATOM 317 C SER A 24 5.395 -6.924 -11.656 1.00 0.00 C ATOM 318 O SER A 24 5.865 -5.800 -11.831 1.00 0.00 O ATOM 319 CB SER A 24 7.063 -8.773 -11.414 1.00 0.00 C ATOM 320 OG SER A 24 6.487 -9.376 -12.560 1.00 0.00 O ATOM 0 H SER A 24 5.176 -9.738 -10.158 1.00 0.00 H new ATOM 0 HA SER A 24 6.557 -7.328 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.919 -8.166 -11.710 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.437 -9.545 -10.742 1.00 0.00 H new ATOM 0 HG SER A 24 7.159 -9.927 -13.013 1.00 0.00 H new ATOM 326 N VAL A 25 4.312 -7.362 -12.289 1.00 0.00 N ATOM 327 CA VAL A 25 3.597 -6.528 -13.247 1.00 0.00 C ATOM 328 C VAL A 25 3.121 -5.232 -12.600 1.00 0.00 C ATOM 329 O VAL A 25 2.823 -4.254 -13.287 1.00 0.00 O ATOM 330 CB VAL A 25 2.383 -7.268 -13.840 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.810 -8.600 -14.438 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.311 -7.469 -12.779 1.00 0.00 C ATOM 0 H VAL A 25 3.910 -8.290 -12.156 1.00 0.00 H new ATOM 0 HA VAL A 25 4.298 -6.295 -14.048 1.00 0.00 H new ATOM 0 HB VAL A 25 1.961 -6.657 -14.638 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.939 -9.109 -14.852 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.539 -8.427 -15.229 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.258 -9.221 -13.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.461 -7.993 -13.215 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.718 -8.059 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.985 -6.499 -12.403 1.00 0.00 H new ATOM 342 N HIS A 26 3.052 -5.230 -11.272 1.00 0.00 N ATOM 343 CA HIS A 26 2.613 -4.054 -10.531 1.00 0.00 C ATOM 344 C HIS A 26 3.729 -3.017 -10.448 1.00 0.00 C ATOM 345 O HIS A 26 4.895 -3.323 -10.697 1.00 0.00 O ATOM 346 CB HIS A 26 2.163 -4.449 -9.124 1.00 0.00 C ATOM 347 CG HIS A 26 1.142 -5.545 -9.108 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.062 -5.580 -9.963 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.043 -6.651 -8.334 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.660 -6.658 -9.715 1.00 0.00 C ATOM 351 NE2 HIS A 26 -0.085 -7.326 -8.731 1.00 0.00 N ATOM 0 H HIS A 26 3.295 -6.030 -10.688 1.00 0.00 H new ATOM 0 HA HIS A 26 1.770 -3.614 -11.063 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.033 -4.765 -8.549 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.751 -3.573 -8.624 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.724 -6.947 -7.550 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.566 -6.944 -10.229 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.424 -8.201 -8.331 1.00 0.00 H new ATOM 359 N LEU A 27 3.364 -1.789 -10.097 1.00 0.00 N ATOM 360 CA LEU A 27 4.334 -0.705 -9.982 1.00 0.00 C ATOM 361 C LEU A 27 4.900 -0.629 -8.567 1.00 0.00 C ATOM 362 O LEU A 27 6.077 -0.323 -8.375 1.00 0.00 O ATOM 363 CB LEU A 27 3.685 0.629 -10.356 1.00 0.00 C ATOM 364 CG LEU A 27 3.422 0.853 -11.845 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.629 2.132 -12.060 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.732 0.898 -12.618 1.00 0.00 C ATOM 0 H LEU A 27 2.403 -1.519 -9.887 1.00 0.00 H new ATOM 0 HA LEU A 27 5.153 -0.909 -10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.737 0.711 -9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.324 1.435 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 27 2.832 0.017 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.451 2.275 -13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.674 2.060 -11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.192 2.979 -11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.525 1.058 -13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.349 1.714 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.262 -0.046 -12.491 1.00 0.00 H new ATOM 378 N TRP A 28 4.056 -0.913 -7.582 1.00 0.00 N ATOM 379 CA TRP A 28 4.474 -0.879 -6.185 1.00 0.00 C ATOM 380 C TRP A 28 5.216 -2.156 -5.807 1.00 0.00 C ATOM 381 O TRP A 28 5.405 -2.449 -4.627 1.00 0.00 O ATOM 382 CB TRP A 28 3.260 -0.691 -5.273 1.00 0.00 C ATOM 383 CG TRP A 28 2.035 -1.406 -5.760 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.975 -0.856 -6.421 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.745 -2.801 -5.621 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.042 -1.825 -6.702 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.492 -3.027 -6.222 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.423 -3.881 -5.049 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.096 -4.289 -6.266 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.838 -5.132 -5.093 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.590 -5.328 -5.698 1.00 0.00 C ATOM 0 H TRP A 28 3.079 -1.169 -7.724 1.00 0.00 H new ATOM 0 HA TRP A 28 5.152 -0.036 -6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.507 -1.048 -4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.041 0.373 -5.187 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.883 0.187 -6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.842 -1.674 -7.189 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.386 -3.740 -4.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.058 -4.442 -6.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.352 -5.974 -4.653 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.161 -6.319 -5.717 1.00 0.00 H new ATOM 402 N TYR A 29 5.635 -2.912 -6.816 1.00 0.00 N ATOM 403 CA TYR A 29 6.355 -4.159 -6.589 1.00 0.00 C ATOM 404 C TYR A 29 7.830 -4.010 -6.949 1.00 0.00 C ATOM 405 O TYR A 29 8.217 -4.169 -8.106 1.00 0.00 O ATOM 406 CB TYR A 29 5.731 -5.289 -7.409 1.00 0.00 C ATOM 407 CG TYR A 29 6.058 -6.669 -6.885 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.339 -7.223 -5.833 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.087 -7.419 -7.442 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.636 -8.484 -5.351 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.389 -8.681 -6.967 1.00 0.00 C ATOM 412 CZ TYR A 29 6.661 -9.208 -5.921 1.00 0.00 C ATOM 413 OH TYR A 29 6.960 -10.464 -5.444 1.00 0.00 O ATOM 0 H TYR A 29 5.488 -2.683 -7.799 1.00 0.00 H new ATOM 0 HA TYR A 29 6.281 -4.404 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.649 -5.162 -7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.074 -5.210 -8.441 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.535 -6.659 -5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.660 -7.008 -8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.068 -8.900 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.191 -9.251 -7.412 1.00 0.00 H new ATOM 0 HH TYR A 29 7.707 -10.839 -5.955 1.00 0.00 H new ATOM 423 N ALA A 30 8.648 -3.703 -5.948 1.00 0.00 N ATOM 424 CA ALA A 30 10.081 -3.534 -6.157 1.00 0.00 C ATOM 425 C ALA A 30 10.843 -4.803 -5.789 1.00 0.00 C ATOM 426 O ALA A 30 11.960 -4.743 -5.279 1.00 0.00 O ATOM 427 CB ALA A 30 10.597 -2.354 -5.347 1.00 0.00 C ATOM 0 H ALA A 30 8.343 -3.566 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 30 10.247 -3.335 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.668 -2.240 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.082 -1.445 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.411 -2.530 -4.288 1.00 0.00 H new ATOM 433 N GLY A 31 10.229 -5.953 -6.051 1.00 0.00 N ATOM 434 CA GLY A 31 10.863 -7.221 -5.741 1.00 0.00 C ATOM 435 C GLY A 31 11.654 -7.172 -4.448 1.00 0.00 C ATOM 436 O GLY A 31 11.368 -6.380 -3.550 1.00 0.00 O ATOM 0 H GLY A 31 9.303 -6.029 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.101 -7.997 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.526 -7.502 -6.559 1.00 0.00 H new ATOM 440 N PRO A 32 12.674 -8.036 -4.341 1.00 0.00 N ATOM 441 CA PRO A 32 13.529 -8.108 -3.152 1.00 0.00 C ATOM 442 C PRO A 32 14.424 -6.882 -3.006 1.00 0.00 C ATOM 443 O PRO A 32 15.573 -6.886 -3.446 1.00 0.00 O ATOM 444 CB PRO A 32 14.374 -9.361 -3.399 1.00 0.00 C ATOM 445 CG PRO A 32 14.400 -9.515 -4.880 1.00 0.00 C ATOM 446 CD PRO A 32 13.072 -9.009 -5.373 1.00 0.00 C ATOM 0 HA PRO A 32 12.946 -8.145 -2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.380 -9.246 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.936 -10.235 -2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.221 -8.946 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.549 -10.557 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.159 -8.542 -6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.344 -9.815 -5.467 1.00 0.00 H new ATOM 454 N MET A 33 13.889 -5.836 -2.386 1.00 0.00 N ATOM 455 CA MET A 33 14.641 -4.603 -2.181 1.00 0.00 C ATOM 456 C MET A 33 14.967 -4.405 -0.704 1.00 0.00 C ATOM 457 O MET A 33 14.189 -4.787 0.169 1.00 0.00 O ATOM 458 CB MET A 33 13.850 -3.404 -2.706 1.00 0.00 C ATOM 459 CG MET A 33 14.587 -2.082 -2.569 1.00 0.00 C ATOM 460 SD MET A 33 14.074 -0.869 -3.801 1.00 0.00 S ATOM 461 CE MET A 33 12.374 -0.590 -3.314 1.00 0.00 C ATOM 0 H MET A 33 12.938 -5.817 -2.017 1.00 0.00 H new ATOM 0 HA MET A 33 15.577 -4.681 -2.734 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.610 -3.569 -3.756 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.904 -3.340 -2.169 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.415 -1.676 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.659 -2.257 -2.661 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.822 -0.161 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.918 -1.537 -3.026 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.346 0.098 -2.469 1.00 0.00 H new ATOM 471 N GLU A 34 16.122 -3.804 -0.433 1.00 0.00 N ATOM 472 CA GLU A 34 16.550 -3.557 0.939 1.00 0.00 C ATOM 473 C GLU A 34 15.912 -2.283 1.486 1.00 0.00 C ATOM 474 O GLU A 34 15.680 -1.326 0.748 1.00 0.00 O ATOM 475 CB GLU A 34 18.075 -3.447 1.009 1.00 0.00 C ATOM 476 CG GLU A 34 18.784 -4.790 0.959 1.00 0.00 C ATOM 477 CD GLU A 34 20.284 -4.664 1.139 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.732 -4.515 2.295 1.00 0.00 O ATOM 479 OE2 GLU A 34 21.010 -4.715 0.124 1.00 0.00 O ATOM 0 H GLU A 34 16.777 -3.480 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 34 16.225 -4.398 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.425 -2.830 0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.352 -2.933 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.382 -5.438 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.576 -5.271 0.004 1.00 0.00 H new ATOM 486 N ARG A 35 15.631 -2.280 2.785 1.00 0.00 N ATOM 487 CA ARG A 35 15.018 -1.126 3.432 1.00 0.00 C ATOM 488 C ARG A 35 15.609 0.174 2.896 1.00 0.00 C ATOM 489 O ARG A 35 14.885 1.043 2.411 1.00 0.00 O ATOM 490 CB ARG A 35 15.213 -1.201 4.947 1.00 0.00 C ATOM 491 CG ARG A 35 14.507 -0.091 5.708 1.00 0.00 C ATOM 492 CD ARG A 35 14.092 -0.544 7.098 1.00 0.00 C ATOM 493 NE ARG A 35 13.968 0.577 8.026 1.00 0.00 N ATOM 494 CZ ARG A 35 14.993 1.093 8.696 1.00 0.00 C ATOM 495 NH1 ARG A 35 16.210 0.590 8.543 1.00 0.00 N ATOM 496 NH2 ARG A 35 14.800 2.113 9.522 1.00 0.00 N ATOM 0 H ARG A 35 15.818 -3.064 3.410 1.00 0.00 H new ATOM 0 HA ARG A 35 13.951 -1.139 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.848 -2.164 5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.279 -1.161 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.167 0.773 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.627 0.230 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.140 -1.072 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.826 -1.253 7.482 1.00 0.00 H new ATOM 0 HE ARG A 35 13.044 0.986 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 35 16.361 -0.195 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.995 0.988 9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.865 2.501 9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.587 2.509 10.036 1.00 0.00 H new ATOM 510 N ALA A 36 16.929 0.300 2.987 1.00 0.00 N ATOM 511 CA ALA A 36 17.617 1.494 2.511 1.00 0.00 C ATOM 512 C ALA A 36 17.019 1.984 1.197 1.00 0.00 C ATOM 513 O ALA A 36 16.510 3.101 1.113 1.00 0.00 O ATOM 514 CB ALA A 36 19.104 1.215 2.345 1.00 0.00 C ATOM 0 H ALA A 36 17.543 -0.410 3.386 1.00 0.00 H new ATOM 0 HA ALA A 36 17.487 2.280 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.606 2.115 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.528 0.919 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.245 0.411 1.622 1.00 0.00 H new ATOM 520 N GLY A 37 17.085 1.141 0.170 1.00 0.00 N ATOM 521 CA GLY A 37 16.547 1.508 -1.127 1.00 0.00 C ATOM 522 C GLY A 37 15.198 2.190 -1.023 1.00 0.00 C ATOM 523 O GLY A 37 14.987 3.255 -1.603 1.00 0.00 O ATOM 0 H GLY A 37 17.501 0.211 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.248 2.172 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.452 0.614 -1.744 1.00 0.00 H new ATOM 527 N ALA A 38 14.281 1.576 -0.282 1.00 0.00 N ATOM 528 CA ALA A 38 12.946 2.132 -0.104 1.00 0.00 C ATOM 529 C ALA A 38 13.005 3.500 0.566 1.00 0.00 C ATOM 530 O ALA A 38 12.230 4.397 0.236 1.00 0.00 O ATOM 531 CB ALA A 38 12.082 1.180 0.711 1.00 0.00 C ATOM 0 H ALA A 38 14.439 0.693 0.204 1.00 0.00 H new ATOM 0 HA ALA A 38 12.498 2.259 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.087 1.608 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.003 0.225 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.536 1.024 1.690 1.00 0.00 H new ATOM 537 N GLU A 39 13.930 3.652 1.509 1.00 0.00 N ATOM 538 CA GLU A 39 14.088 4.912 2.227 1.00 0.00 C ATOM 539 C GLU A 39 14.757 5.961 1.343 1.00 0.00 C ATOM 540 O GLU A 39 14.612 7.162 1.569 1.00 0.00 O ATOM 541 CB GLU A 39 14.912 4.700 3.499 1.00 0.00 C ATOM 542 CG GLU A 39 14.210 3.849 4.543 1.00 0.00 C ATOM 543 CD GLU A 39 14.706 4.125 5.950 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.917 3.950 6.198 1.00 0.00 O ATOM 545 OE2 GLU A 39 13.881 4.517 6.802 1.00 0.00 O ATOM 0 H GLU A 39 14.580 2.920 1.793 1.00 0.00 H new ATOM 0 HA GLU A 39 13.096 5.272 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.858 4.228 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.150 5.671 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.137 4.035 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.361 2.795 4.309 1.00 0.00 H new ATOM 552 N SER A 40 15.490 5.498 0.336 1.00 0.00 N ATOM 553 CA SER A 40 16.186 6.395 -0.579 1.00 0.00 C ATOM 554 C SER A 40 15.315 6.716 -1.790 1.00 0.00 C ATOM 555 O SER A 40 15.439 7.784 -2.391 1.00 0.00 O ATOM 556 CB SER A 40 17.505 5.769 -1.036 1.00 0.00 C ATOM 557 OG SER A 40 18.166 6.601 -1.974 1.00 0.00 O ATOM 0 H SER A 40 15.617 4.507 0.133 1.00 0.00 H new ATOM 0 HA SER A 40 16.398 7.323 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.151 5.603 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.313 4.793 -1.482 1.00 0.00 H new ATOM 0 HG SER A 40 19.007 6.180 -2.249 1.00 0.00 H new ATOM 563 N ILE A 41 14.436 5.784 -2.143 1.00 0.00 N ATOM 564 CA ILE A 41 13.545 5.968 -3.282 1.00 0.00 C ATOM 565 C ILE A 41 12.424 6.948 -2.950 1.00 0.00 C ATOM 566 O ILE A 41 12.260 7.970 -3.619 1.00 0.00 O ATOM 567 CB ILE A 41 12.925 4.632 -3.733 1.00 0.00 C ATOM 568 CG1 ILE A 41 13.993 3.739 -4.369 1.00 0.00 C ATOM 569 CG2 ILE A 41 11.785 4.880 -4.709 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.601 2.280 -4.432 1.00 0.00 C ATOM 0 H ILE A 41 14.322 4.895 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 41 14.150 6.372 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 41 12.523 4.121 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.199 4.095 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 41 14.919 3.834 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.357 3.926 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.016 5.483 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.163 5.409 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.405 1.707 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.423 1.907 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.692 2.173 -5.024 1.00 0.00 H new ATOM 582 N LEU A 42 11.657 6.632 -1.913 1.00 0.00 N ATOM 583 CA LEU A 42 10.552 7.486 -1.490 1.00 0.00 C ATOM 584 C LEU A 42 11.067 8.827 -0.975 1.00 0.00 C ATOM 585 O LEU A 42 10.337 9.818 -0.960 1.00 0.00 O ATOM 586 CB LEU A 42 9.731 6.790 -0.403 1.00 0.00 C ATOM 587 CG LEU A 42 9.299 5.355 -0.703 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.654 4.724 0.521 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.344 5.323 -1.888 1.00 0.00 C ATOM 0 H LEU A 42 11.779 5.791 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 42 9.915 7.670 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.313 6.788 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.838 7.385 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 42 10.185 4.775 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.353 3.703 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.369 4.713 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.777 5.304 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.046 4.294 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.460 5.918 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.841 5.734 -2.767 1.00 0.00 H new ATOM 601 N ALA A 43 12.328 8.850 -0.557 1.00 0.00 N ATOM 602 CA ALA A 43 12.941 10.069 -0.046 1.00 0.00 C ATOM 603 C ALA A 43 12.633 11.259 -0.950 1.00 0.00 C ATOM 604 O ALA A 43 12.277 12.336 -0.474 1.00 0.00 O ATOM 605 CB ALA A 43 14.445 9.886 0.094 1.00 0.00 C ATOM 0 H ALA A 43 12.945 8.038 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 43 12.518 10.274 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.889 10.805 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.649 9.069 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.875 9.653 -0.880 1.00 0.00 H new ATOM 611 N ASN A 44 12.774 11.056 -2.256 1.00 0.00 N ATOM 612 CA ASN A 44 12.513 12.113 -3.226 1.00 0.00 C ATOM 613 C ASN A 44 11.043 12.122 -3.637 1.00 0.00 C ATOM 614 O ASN A 44 10.481 13.173 -3.944 1.00 0.00 O ATOM 615 CB ASN A 44 13.398 11.931 -4.461 1.00 0.00 C ATOM 616 CG ASN A 44 14.874 11.893 -4.114 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.483 12.925 -3.831 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.456 10.700 -4.134 1.00 0.00 N ATOM 0 H ASN A 44 13.067 10.170 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 44 12.748 13.069 -2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.123 11.006 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.213 12.746 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.447 10.612 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.912 9.871 -4.374 1.00 0.00 H new ATOM 625 N ARG A 45 10.428 10.944 -3.640 1.00 0.00 N ATOM 626 CA ARG A 45 9.024 10.816 -4.013 1.00 0.00 C ATOM 627 C ARG A 45 8.168 11.833 -3.265 1.00 0.00 C ATOM 628 O ARG A 45 8.676 12.620 -2.466 1.00 0.00 O ATOM 629 CB ARG A 45 8.524 9.400 -3.723 1.00 0.00 C ATOM 630 CG ARG A 45 9.226 8.327 -4.540 1.00 0.00 C ATOM 631 CD ARG A 45 8.841 8.405 -6.009 1.00 0.00 C ATOM 632 NE ARG A 45 9.548 9.478 -6.704 1.00 0.00 N ATOM 633 CZ ARG A 45 10.799 9.374 -7.138 1.00 0.00 C ATOM 634 NH1 ARG A 45 11.477 8.250 -6.951 1.00 0.00 N ATOM 635 NH2 ARG A 45 11.373 10.394 -7.762 1.00 0.00 N ATOM 0 H ARG A 45 10.880 10.065 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 45 8.939 11.012 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.661 9.185 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.453 9.354 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.306 8.439 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.970 7.343 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.061 7.453 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.766 8.565 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 45 9.054 10.356 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.038 7.463 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.438 8.172 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.854 11.259 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.334 10.313 -8.095 1.00 0.00 H new ATOM 649 N SER A 46 6.865 11.811 -3.529 1.00 0.00 N ATOM 650 CA SER A 46 5.939 12.734 -2.883 1.00 0.00 C ATOM 651 C SER A 46 5.234 12.062 -1.709 1.00 0.00 C ATOM 652 O SER A 46 5.000 10.854 -1.719 1.00 0.00 O ATOM 653 CB SER A 46 4.905 13.240 -3.891 1.00 0.00 C ATOM 654 OG SER A 46 4.554 14.587 -3.629 1.00 0.00 O ATOM 0 H SER A 46 6.427 11.164 -4.185 1.00 0.00 H new ATOM 0 HA SER A 46 6.512 13.580 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.306 13.155 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.014 12.614 -3.848 1.00 0.00 H new ATOM 0 HG SER A 46 3.893 14.887 -4.288 1.00 0.00 H new ATOM 660 N ASP A 47 4.898 12.855 -0.697 1.00 0.00 N ATOM 661 CA ASP A 47 4.219 12.340 0.486 1.00 0.00 C ATOM 662 C ASP A 47 3.007 11.501 0.094 1.00 0.00 C ATOM 663 O ASP A 47 1.960 12.036 -0.268 1.00 0.00 O ATOM 664 CB ASP A 47 3.786 13.491 1.395 1.00 0.00 C ATOM 665 CG ASP A 47 2.633 14.286 0.813 1.00 0.00 C ATOM 666 OD1 ASP A 47 2.614 14.486 -0.420 1.00 0.00 O ATOM 667 OD2 ASP A 47 1.751 14.708 1.590 1.00 0.00 O ATOM 0 H ASP A 47 5.085 13.857 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 47 4.919 11.704 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.495 13.093 2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.633 14.156 1.564 1.00 0.00 H new ATOM 672 N GLY A 48 3.156 10.182 0.169 1.00 0.00 N ATOM 673 CA GLY A 48 2.066 9.290 -0.183 1.00 0.00 C ATOM 674 C GLY A 48 2.509 8.165 -1.097 1.00 0.00 C ATOM 675 O GLY A 48 1.830 7.145 -1.213 1.00 0.00 O ATOM 0 H GLY A 48 4.012 9.715 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.638 8.868 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.277 9.861 -0.671 1.00 0.00 H new ATOM 679 N THR A 49 3.651 8.351 -1.751 1.00 0.00 N ATOM 680 CA THR A 49 4.183 7.346 -2.663 1.00 0.00 C ATOM 681 C THR A 49 4.544 6.065 -1.918 1.00 0.00 C ATOM 682 O THR A 49 5.583 5.989 -1.261 1.00 0.00 O ATOM 683 CB THR A 49 5.429 7.863 -3.406 1.00 0.00 C ATOM 684 OG1 THR A 49 5.128 9.098 -4.065 1.00 0.00 O ATOM 685 CG2 THR A 49 5.913 6.843 -4.425 1.00 0.00 C ATOM 0 H THR A 49 4.226 9.189 -1.666 1.00 0.00 H new ATOM 0 HA THR A 49 3.399 7.133 -3.390 1.00 0.00 H new ATOM 0 HB THR A 49 6.221 8.025 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.048 9.813 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.794 7.230 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.168 5.913 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.124 6.653 -5.153 1.00 0.00 H new ATOM 693 N PHE A 50 3.682 5.060 -2.026 1.00 0.00 N ATOM 694 CA PHE A 50 3.910 3.782 -1.362 1.00 0.00 C ATOM 695 C PHE A 50 4.720 2.844 -2.253 1.00 0.00 C ATOM 696 O PHE A 50 4.710 2.970 -3.478 1.00 0.00 O ATOM 697 CB PHE A 50 2.577 3.129 -0.994 1.00 0.00 C ATOM 698 CG PHE A 50 1.835 2.572 -2.176 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.138 3.411 -3.030 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.836 1.211 -2.433 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.454 2.902 -4.117 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.154 0.696 -3.519 1.00 0.00 C ATOM 703 CZ PHE A 50 0.463 1.543 -4.363 1.00 0.00 C ATOM 0 H PHE A 50 2.819 5.106 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 50 4.478 3.970 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.760 2.327 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.947 3.865 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.129 4.475 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.376 0.544 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.087 3.566 -4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.161 -0.367 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.069 1.144 -5.214 1.00 0.00 H new ATOM 713 N LEU A 51 5.422 1.904 -1.629 1.00 0.00 N ATOM 714 CA LEU A 51 6.238 0.944 -2.363 1.00 0.00 C ATOM 715 C LEU A 51 6.391 -0.354 -1.578 1.00 0.00 C ATOM 716 O LEU A 51 6.756 -0.341 -0.402 1.00 0.00 O ATOM 717 CB LEU A 51 7.616 1.539 -2.660 1.00 0.00 C ATOM 718 CG LEU A 51 8.712 1.238 -1.638 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.241 -0.176 -1.824 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.841 2.251 -1.752 1.00 0.00 C ATOM 0 H LEU A 51 5.442 1.787 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 51 5.734 0.720 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.945 1.174 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.512 2.621 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 51 8.282 1.315 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.020 -0.373 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.428 -0.889 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.655 -0.281 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.612 2.021 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.270 2.207 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.451 3.252 -1.568 1.00 0.00 H new ATOM 732 N VAL A 52 6.112 -1.475 -2.236 1.00 0.00 N ATOM 733 CA VAL A 52 6.221 -2.782 -1.601 1.00 0.00 C ATOM 734 C VAL A 52 7.531 -3.467 -1.975 1.00 0.00 C ATOM 735 O VAL A 52 7.990 -3.371 -3.114 1.00 0.00 O ATOM 736 CB VAL A 52 5.046 -3.697 -1.993 1.00 0.00 C ATOM 737 CG1 VAL A 52 5.082 -4.987 -1.188 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.721 -2.974 -1.798 1.00 0.00 C ATOM 0 H VAL A 52 5.809 -1.503 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 52 6.196 -2.613 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 52 5.143 -3.953 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.244 -5.621 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.018 -5.511 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.010 -4.755 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.901 -3.635 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.613 -2.688 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.698 -2.081 -2.423 1.00 0.00 H new ATOM 748 N ARG A 53 8.127 -4.159 -1.010 1.00 0.00 N ATOM 749 CA ARG A 53 9.385 -4.860 -1.238 1.00 0.00 C ATOM 750 C ARG A 53 9.423 -6.175 -0.465 1.00 0.00 C ATOM 751 O ARG A 53 8.590 -6.416 0.409 1.00 0.00 O ATOM 752 CB ARG A 53 10.566 -3.980 -0.827 1.00 0.00 C ATOM 753 CG ARG A 53 10.583 -3.636 0.654 1.00 0.00 C ATOM 754 CD ARG A 53 11.429 -2.403 0.930 1.00 0.00 C ATOM 755 NE ARG A 53 11.136 -1.819 2.236 1.00 0.00 N ATOM 756 CZ ARG A 53 11.497 -2.376 3.387 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.161 -3.523 3.393 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.194 -1.784 4.535 1.00 0.00 N ATOM 0 H ARG A 53 7.759 -4.249 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 53 9.460 -5.082 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.495 -4.490 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.539 -3.057 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.564 -3.464 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.974 -4.481 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.485 -2.669 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.251 -1.660 0.153 1.00 0.00 H new ATOM 0 HE ARG A 53 10.627 -0.936 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.396 -3.981 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.437 -3.948 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.684 -0.901 4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.471 -2.212 5.418 1.00 0.00 H new ATOM 898 N PHE A 62 6.036 -9.857 3.116 1.00 0.00 N ATOM 899 CA PHE A 62 6.123 -8.614 2.357 1.00 0.00 C ATOM 900 C PHE A 62 6.045 -7.404 3.284 1.00 0.00 C ATOM 901 O PHE A 62 5.487 -7.483 4.378 1.00 0.00 O ATOM 902 CB PHE A 62 5.004 -8.547 1.316 1.00 0.00 C ATOM 903 CG PHE A 62 5.192 -9.500 0.171 1.00 0.00 C ATOM 904 CD1 PHE A 62 4.887 -10.844 0.313 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.675 -9.051 -1.048 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.060 -11.723 -0.740 1.00 0.00 C ATOM 907 CE2 PHE A 62 5.850 -9.926 -2.105 1.00 0.00 C ATOM 908 CZ PHE A 62 5.541 -11.263 -1.950 1.00 0.00 C ATOM 0 HA PHE A 62 7.086 -8.596 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.052 -8.760 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.942 -7.531 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.510 -11.209 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.917 -8.006 -1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.819 -12.769 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.228 -9.564 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.675 -11.948 -2.774 1.00 0.00 H new ATOM 918 N ALA A 63 6.607 -6.287 2.837 1.00 0.00 N ATOM 919 CA ALA A 63 6.600 -5.060 3.624 1.00 0.00 C ATOM 920 C ALA A 63 6.263 -3.852 2.756 1.00 0.00 C ATOM 921 O ALA A 63 6.855 -3.655 1.695 1.00 0.00 O ATOM 922 CB ALA A 63 7.945 -4.863 4.307 1.00 0.00 C ATOM 0 H ALA A 63 7.073 -6.206 1.933 1.00 0.00 H new ATOM 0 HA ALA A 63 5.827 -5.152 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.925 -3.943 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.145 -5.707 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.730 -4.797 3.553 1.00 0.00 H new ATOM 928 N ILE A 64 5.310 -3.048 3.214 1.00 0.00 N ATOM 929 CA ILE A 64 4.896 -1.859 2.479 1.00 0.00 C ATOM 930 C ILE A 64 5.477 -0.596 3.103 1.00 0.00 C ATOM 931 O ILE A 64 5.328 -0.358 4.302 1.00 0.00 O ATOM 932 CB ILE A 64 3.361 -1.735 2.429 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.769 -2.820 1.528 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.958 -0.352 1.939 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.322 -3.136 1.834 1.00 0.00 C ATOM 0 H ILE A 64 4.810 -3.198 4.090 1.00 0.00 H new ATOM 0 HA ILE A 64 5.277 -1.967 1.464 1.00 0.00 H new ATOM 0 HB ILE A 64 2.966 -1.871 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.851 -2.502 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.361 -3.730 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.871 -0.279 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.354 0.404 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.360 -0.189 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.968 -3.913 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.235 -3.484 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.718 -2.238 1.703 1.00 0.00 H new ATOM 947 N SER A 65 6.140 0.213 2.282 1.00 0.00 N ATOM 948 CA SER A 65 6.746 1.452 2.754 1.00 0.00 C ATOM 949 C SER A 65 6.355 2.624 1.859 1.00 0.00 C ATOM 950 O SER A 65 6.412 2.528 0.633 1.00 0.00 O ATOM 951 CB SER A 65 8.269 1.315 2.799 1.00 0.00 C ATOM 952 OG SER A 65 8.656 0.141 3.492 1.00 0.00 O ATOM 0 H SER A 65 6.271 0.032 1.287 1.00 0.00 H new ATOM 0 HA SER A 65 6.376 1.648 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.665 1.289 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.701 2.188 3.287 1.00 0.00 H new ATOM 0 HG SER A 65 9.379 0.354 4.118 1.00 0.00 H new ATOM 958 N ILE A 66 5.957 3.729 2.481 1.00 0.00 N ATOM 959 CA ILE A 66 5.558 4.919 1.741 1.00 0.00 C ATOM 960 C ILE A 66 6.119 6.182 2.386 1.00 0.00 C ATOM 961 O ILE A 66 6.633 6.145 3.504 1.00 0.00 O ATOM 962 CB ILE A 66 4.025 5.039 1.653 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.503 5.992 2.730 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.377 3.669 1.791 1.00 0.00 C ATOM 965 CD1 ILE A 66 4.001 5.663 4.120 1.00 0.00 C ATOM 0 H ILE A 66 5.902 3.824 3.495 1.00 0.00 H new ATOM 0 HA ILE A 66 5.965 4.816 0.735 1.00 0.00 H new ATOM 0 HB ILE A 66 3.763 5.446 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.800 7.010 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.413 5.968 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.294 3.771 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.728 3.018 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.644 3.236 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.591 6.379 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.682 4.657 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.090 5.715 4.138 1.00 0.00 H new ATOM 977 N LYS A 67 6.015 7.299 1.676 1.00 0.00 N ATOM 978 CA LYS A 67 6.508 8.576 2.179 1.00 0.00 C ATOM 979 C LYS A 67 5.423 9.309 2.961 1.00 0.00 C ATOM 980 O LYS A 67 4.398 9.699 2.401 1.00 0.00 O ATOM 981 CB LYS A 67 6.996 9.449 1.021 1.00 0.00 C ATOM 982 CG LYS A 67 7.716 10.709 1.472 1.00 0.00 C ATOM 983 CD LYS A 67 9.058 10.388 2.107 1.00 0.00 C ATOM 984 CE LYS A 67 9.514 11.500 3.039 1.00 0.00 C ATOM 985 NZ LYS A 67 9.830 12.752 2.297 1.00 0.00 N ATOM 0 H LYS A 67 5.593 7.347 0.749 1.00 0.00 H new ATOM 0 HA LYS A 67 7.342 8.376 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.666 8.863 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.143 9.729 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.866 11.369 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.094 11.248 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.984 9.453 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.804 10.237 1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.734 11.700 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.395 11.173 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.264 13.440 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.492 12.540 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.955 13.152 1.903 1.00 0.00 H new ATOM 999 N TYR A 68 5.656 9.494 4.255 1.00 0.00 N ATOM 1000 CA TYR A 68 4.697 10.180 5.114 1.00 0.00 C ATOM 1001 C TYR A 68 5.413 11.014 6.172 1.00 0.00 C ATOM 1002 O TYR A 68 6.445 10.607 6.705 1.00 0.00 O ATOM 1003 CB TYR A 68 3.769 9.168 5.787 1.00 0.00 C ATOM 1004 CG TYR A 68 2.439 9.753 6.208 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.399 9.892 5.298 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.223 10.165 7.517 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.184 10.427 5.678 1.00 0.00 C ATOM 1008 CE2 TYR A 68 1.011 10.700 7.907 1.00 0.00 C ATOM 1009 CZ TYR A 68 -0.006 10.829 6.984 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.216 11.360 7.367 1.00 0.00 O ATOM 0 H TYR A 68 6.500 9.179 4.733 1.00 0.00 H new ATOM 0 HA TYR A 68 4.103 10.849 4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.591 8.339 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.269 8.756 6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.543 9.576 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.017 10.065 8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.613 10.530 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.860 11.016 8.929 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.926 10.703 7.210 1.00 0.00 H new ATOM 1020 N ASN A 69 4.855 12.182 6.473 1.00 0.00 N ATOM 1021 CA ASN A 69 5.439 13.074 7.468 1.00 0.00 C ATOM 1022 C ASN A 69 6.921 13.307 7.187 1.00 0.00 C ATOM 1023 O ASN A 69 7.719 13.476 8.109 1.00 0.00 O ATOM 1024 CB ASN A 69 5.260 12.493 8.872 1.00 0.00 C ATOM 1025 CG ASN A 69 5.129 13.570 9.931 1.00 0.00 C ATOM 1026 OD1 ASN A 69 6.069 14.323 10.186 1.00 0.00 O ATOM 1027 ND2 ASN A 69 3.959 13.647 10.555 1.00 0.00 N ATOM 0 H ASN A 69 3.999 12.533 6.042 1.00 0.00 H new ATOM 0 HA ASN A 69 4.921 14.031 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.373 11.860 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.111 11.855 9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.812 14.351 11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.207 13.002 10.311 1.00 0.00 H new ATOM 1034 N VAL A 70 7.281 13.316 5.908 1.00 0.00 N ATOM 1035 CA VAL A 70 8.665 13.530 5.505 1.00 0.00 C ATOM 1036 C VAL A 70 9.558 12.388 5.977 1.00 0.00 C ATOM 1037 O VAL A 70 10.763 12.562 6.155 1.00 0.00 O ATOM 1038 CB VAL A 70 9.213 14.858 6.060 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.093 15.877 6.206 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.914 14.630 7.390 1.00 0.00 C ATOM 0 H VAL A 70 6.633 13.177 5.133 1.00 0.00 H new ATOM 0 HA VAL A 70 8.674 13.569 4.416 1.00 0.00 H new ATOM 0 HB VAL A 70 9.943 15.254 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.498 16.809 6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.639 16.061 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.338 15.492 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.295 15.579 7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.207 14.212 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.743 13.936 7.250 1.00 0.00 H new ATOM 1050 N GLU A 71 8.958 11.219 6.178 1.00 0.00 N ATOM 1051 CA GLU A 71 9.699 10.047 6.630 1.00 0.00 C ATOM 1052 C GLU A 71 9.193 8.783 5.942 1.00 0.00 C ATOM 1053 O GLU A 71 7.991 8.617 5.731 1.00 0.00 O ATOM 1054 CB GLU A 71 9.582 9.897 8.148 1.00 0.00 C ATOM 1055 CG GLU A 71 8.243 10.352 8.703 1.00 0.00 C ATOM 1056 CD GLU A 71 8.232 10.420 10.218 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.605 9.417 10.860 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.850 11.479 10.761 1.00 0.00 O ATOM 0 H GLU A 71 7.961 11.058 6.035 1.00 0.00 H new ATOM 0 HA GLU A 71 10.747 10.188 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.740 8.852 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.377 10.471 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.001 11.334 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.464 9.668 8.368 1.00 0.00 H new ATOM 1065 N VAL A 72 10.118 7.895 5.593 1.00 0.00 N ATOM 1066 CA VAL A 72 9.766 6.645 4.929 1.00 0.00 C ATOM 1067 C VAL A 72 9.364 5.579 5.942 1.00 0.00 C ATOM 1068 O VAL A 72 10.217 4.928 6.546 1.00 0.00 O ATOM 1069 CB VAL A 72 10.934 6.114 4.077 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.549 4.811 3.395 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.363 7.155 3.054 1.00 0.00 C ATOM 0 H VAL A 72 11.117 8.018 5.759 1.00 0.00 H new ATOM 0 HA VAL A 72 8.919 6.860 4.277 1.00 0.00 H new ATOM 0 HB VAL A 72 11.780 5.915 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.387 4.452 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.295 4.066 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.688 4.980 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.189 6.763 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.524 7.388 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.684 8.061 3.569 1.00 0.00 H new ATOM 1081 N LYS A 73 8.059 5.405 6.123 1.00 0.00 N ATOM 1082 CA LYS A 73 7.542 4.416 7.061 1.00 0.00 C ATOM 1083 C LYS A 73 7.483 3.034 6.418 1.00 0.00 C ATOM 1084 O LYS A 73 7.426 2.943 5.193 1.00 0.00 O ATOM 1085 CB LYS A 73 6.149 4.824 7.547 1.00 0.00 C ATOM 1086 CG LYS A 73 6.019 6.308 7.846 1.00 0.00 C ATOM 1087 CD LYS A 73 6.460 6.632 9.263 1.00 0.00 C ATOM 1088 CE LYS A 73 5.686 7.811 9.832 1.00 0.00 C ATOM 1089 NZ LYS A 73 5.983 8.025 11.276 1.00 0.00 N ATOM 0 H LYS A 73 7.340 5.936 5.632 1.00 0.00 H new ATOM 0 HA LYS A 73 8.220 4.372 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.414 4.549 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.907 4.258 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.621 6.877 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.984 6.619 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.314 5.759 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.526 6.858 9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.935 8.713 9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.617 7.640 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.286 8.683 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.933 7.116 11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.937 8.426 11.378 1.00 0.00 H new ATOM 1103 N HIS A 74 7.497 2.002 7.248 1.00 0.00 N ATOM 1104 CA HIS A 74 7.443 0.639 6.748 1.00 0.00 C ATOM 1105 C HIS A 74 6.345 -0.135 7.481 1.00 0.00 C ATOM 1106 O HIS A 74 6.089 0.065 8.669 1.00 0.00 O ATOM 1107 CB HIS A 74 8.814 -0.033 6.854 1.00 0.00 C ATOM 1108 CG HIS A 74 9.964 0.848 6.429 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.473 0.848 5.142 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.698 1.757 7.134 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.469 1.720 5.086 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.607 2.282 6.322 1.00 0.00 N ATOM 0 H HIS A 74 7.545 2.082 8.264 1.00 0.00 H new ATOM 0 HA HIS A 74 7.187 0.647 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.974 -0.349 7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.814 -0.934 6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.562 2.007 8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.067 1.946 4.215 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.296 2.989 6.579 1.00 0.00 H new ATOM 1120 N ILE A 75 5.698 -1.028 6.740 1.00 0.00 N ATOM 1121 CA ILE A 75 4.626 -1.846 7.294 1.00 0.00 C ATOM 1122 C ILE A 75 4.833 -3.320 6.966 1.00 0.00 C ATOM 1123 O ILE A 75 5.023 -3.689 5.807 1.00 0.00 O ATOM 1124 CB ILE A 75 3.249 -1.402 6.765 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.068 0.106 6.951 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.139 -2.165 7.472 1.00 0.00 C ATOM 1127 CD1 ILE A 75 1.688 0.600 6.577 1.00 0.00 C ATOM 0 H ILE A 75 5.897 -1.204 5.755 1.00 0.00 H new ATOM 0 HA ILE A 75 4.652 -1.710 8.375 1.00 0.00 H new ATOM 0 HB ILE A 75 3.196 -1.626 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.267 0.362 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.809 0.630 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.172 -1.840 7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.261 -3.233 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.188 -1.969 8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.632 1.677 6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.493 0.376 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.943 0.104 7.199 1.00 0.00 H new ATOM 1139 N LYS A 76 4.794 -4.161 7.995 1.00 0.00 N ATOM 1140 CA LYS A 76 4.974 -5.597 7.818 1.00 0.00 C ATOM 1141 C LYS A 76 3.682 -6.252 7.341 1.00 0.00 C ATOM 1142 O LYS A 76 2.596 -5.927 7.821 1.00 0.00 O ATOM 1143 CB LYS A 76 5.431 -6.240 9.129 1.00 0.00 C ATOM 1144 CG LYS A 76 4.287 -6.759 9.982 1.00 0.00 C ATOM 1145 CD LYS A 76 4.665 -6.805 11.453 1.00 0.00 C ATOM 1146 CE LYS A 76 4.250 -5.533 12.176 1.00 0.00 C ATOM 1147 NZ LYS A 76 5.338 -4.517 12.181 1.00 0.00 N ATOM 0 H LYS A 76 4.639 -3.872 8.961 1.00 0.00 H new ATOM 0 HA LYS A 76 5.741 -5.751 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.108 -7.064 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.999 -5.509 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.414 -6.120 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.005 -7.757 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.189 -7.665 11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.742 -6.944 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.365 -5.115 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.973 -5.773 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.123 -3.782 12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.240 -4.975 12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.413 -4.084 11.239 1.00 0.00 H new ATOM 1161 N ILE A 77 3.807 -7.178 6.395 1.00 0.00 N ATOM 1162 CA ILE A 77 2.649 -7.880 5.857 1.00 0.00 C ATOM 1163 C ILE A 77 2.631 -9.336 6.309 1.00 0.00 C ATOM 1164 O ILE A 77 3.380 -10.166 5.794 1.00 0.00 O ATOM 1165 CB ILE A 77 2.628 -7.832 4.318 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.646 -6.382 3.831 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.404 -8.561 3.782 1.00 0.00 C ATOM 1168 CD1 ILE A 77 2.810 -6.249 2.333 1.00 0.00 C ATOM 0 H ILE A 77 4.698 -7.459 5.986 1.00 0.00 H new ATOM 0 HA ILE A 77 1.764 -7.372 6.241 1.00 0.00 H new ATOM 0 HB ILE A 77 3.520 -8.333 3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.718 -5.895 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.459 -5.851 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.403 -8.518 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.430 -9.602 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.501 -8.085 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.814 -5.194 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.751 -6.706 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.983 -6.751 1.830 1.00 0.00 H new ATOM 1180 N MET A 78 1.768 -9.640 7.274 1.00 0.00 N ATOM 1181 CA MET A 78 1.650 -10.997 7.793 1.00 0.00 C ATOM 1182 C MET A 78 0.914 -11.896 6.804 1.00 0.00 C ATOM 1183 O MET A 78 -0.031 -11.466 6.142 1.00 0.00 O ATOM 1184 CB MET A 78 0.916 -10.990 9.136 1.00 0.00 C ATOM 1185 CG MET A 78 1.357 -9.869 10.063 1.00 0.00 C ATOM 1186 SD MET A 78 1.128 -10.278 11.804 1.00 0.00 S ATOM 1187 CE MET A 78 -0.146 -9.105 12.262 1.00 0.00 C ATOM 0 H MET A 78 1.141 -8.965 7.712 1.00 0.00 H new ATOM 0 HA MET A 78 2.655 -11.392 7.938 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.155 -10.901 8.955 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.077 -11.946 9.634 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.408 -9.645 9.882 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.793 -8.966 9.829 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.410 -9.245 13.310 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.223 -8.090 12.113 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.028 -9.265 11.641 1.00 0.00 H new ATOM 1197 N THR A 79 1.354 -13.147 6.707 1.00 0.00 N ATOM 1198 CA THR A 79 0.739 -14.105 5.797 1.00 0.00 C ATOM 1199 C THR A 79 0.115 -15.266 6.562 1.00 0.00 C ATOM 1200 O THR A 79 0.711 -15.797 7.499 1.00 0.00 O ATOM 1201 CB THR A 79 1.763 -14.660 4.789 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.050 -14.769 5.408 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.858 -13.763 3.564 1.00 0.00 C ATOM 0 H THR A 79 2.134 -13.520 7.248 1.00 0.00 H new ATOM 0 HA THR A 79 -0.040 -13.570 5.254 1.00 0.00 H new ATOM 0 HB THR A 79 1.428 -15.647 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.695 -15.124 4.761 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.587 -14.175 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.884 -13.706 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.171 -12.764 3.868 1.00 0.00 H new ATOM 1211 N ALA A 80 -1.089 -15.657 6.156 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.792 -16.758 6.802 1.00 0.00 C ATOM 1213 C ALA A 80 -2.837 -17.364 5.870 1.00 0.00 C ATOM 1214 O ALA A 80 -3.674 -16.652 5.316 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.445 -16.283 8.092 1.00 0.00 C ATOM 0 H ALA A 80 -1.597 -15.227 5.383 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.063 -17.532 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.967 -17.116 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.680 -15.904 8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.157 -15.489 7.868 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.781 -18.681 5.703 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.722 -19.381 4.837 1.00 0.00 C ATOM 1223 C GLU A 81 -3.522 -18.980 3.378 1.00 0.00 C ATOM 1224 O GLU A 81 -4.443 -19.065 2.567 1.00 0.00 O ATOM 1225 CB GLU A 81 -5.161 -19.085 5.265 1.00 0.00 C ATOM 1226 CG GLU A 81 -5.355 -19.064 6.772 1.00 0.00 C ATOM 1227 CD GLU A 81 -6.817 -19.001 7.171 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -7.536 -18.119 6.657 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -7.241 -19.836 7.998 1.00 0.00 O ATOM 0 H GLU A 81 -2.094 -19.285 6.156 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.535 -20.451 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.462 -18.121 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.822 -19.836 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.902 -19.956 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.831 -18.205 7.190 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.309 -18.541 3.053 1.00 0.00 N ATOM 1237 CA GLY A 82 -2.009 -18.132 1.693 1.00 0.00 C ATOM 1238 C GLY A 82 -2.482 -16.723 1.394 1.00 0.00 C ATOM 1239 O GLY A 82 -2.612 -16.338 0.231 1.00 0.00 O ATOM 0 H GLY A 82 -1.530 -18.461 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.933 -18.194 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.479 -18.826 0.996 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.740 -15.952 2.444 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.203 -14.577 2.289 1.00 0.00 C ATOM 1245 C LEU A 83 -2.152 -13.589 2.785 1.00 0.00 C ATOM 1246 O LEU A 83 -1.157 -13.981 3.394 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.514 -14.371 3.049 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.608 -15.408 2.796 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.501 -15.552 4.019 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.431 -15.028 1.574 1.00 0.00 C ATOM 0 H LEU A 83 -2.637 -16.255 3.412 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.373 -14.394 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.293 -14.358 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.908 -13.387 2.793 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.132 -16.370 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.274 -16.294 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.902 -15.872 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.968 -14.593 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.205 -15.778 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.896 -14.056 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.782 -14.978 0.700 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.382 -12.308 2.523 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.456 -11.263 2.943 1.00 0.00 C ATOM 1264 C TYR A 84 -2.199 -10.116 3.621 1.00 0.00 C ATOM 1265 O TYR A 84 -3.125 -9.540 3.052 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.669 -10.737 1.741 1.00 0.00 C ATOM 1267 CG TYR A 84 0.138 -11.801 1.032 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.448 -12.622 0.076 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.485 -11.985 1.318 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.285 -13.597 -0.574 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.225 -12.956 0.672 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.621 -13.759 -0.273 1.00 0.00 C ATOM 1273 OH TYR A 84 2.356 -14.728 -0.918 1.00 0.00 O ATOM 0 H TYR A 84 -3.202 -11.968 2.021 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.761 -11.696 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.364 -10.287 1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.003 -9.946 2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.494 -12.496 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.961 -11.359 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.186 -14.228 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.271 -13.086 0.906 1.00 0.00 H new ATOM 0 HH TYR A 84 3.280 -14.710 -0.591 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.784 -9.791 4.841 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.409 -8.714 5.598 1.00 0.00 C ATOM 1285 C ARG A 85 -1.498 -8.245 6.730 1.00 0.00 C ATOM 1286 O ARG A 85 -1.074 -9.040 7.568 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.752 -9.175 6.168 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.729 -10.595 6.709 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.955 -10.888 7.559 1.00 0.00 C ATOM 1290 NE ARG A 85 -5.001 -12.282 7.991 1.00 0.00 N ATOM 1291 CZ ARG A 85 -6.122 -12.910 8.328 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -7.283 -12.271 8.283 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -6.083 -14.180 8.712 1.00 0.00 N ATOM 0 H ARG A 85 -1.018 -10.258 5.326 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.578 -7.878 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.050 -8.496 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.511 -9.104 5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.683 -11.301 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.828 -10.744 7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.954 -10.237 8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.855 -10.655 6.990 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.125 -12.802 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.317 -11.295 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.142 -12.756 8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.192 -14.675 8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.944 -14.661 8.971 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.202 -6.949 6.745 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.343 -6.375 7.773 1.00 0.00 C ATOM 1309 C ILE A 86 -0.969 -6.519 9.156 1.00 0.00 C ATOM 1310 O ILE A 86 -0.274 -6.473 10.172 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.060 -4.886 7.503 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.345 -4.066 7.643 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.542 -4.704 6.117 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.111 -2.655 8.134 1.00 0.00 C ATOM 0 H ILE A 86 -1.544 -6.278 6.057 1.00 0.00 H new ATOM 0 HA ILE A 86 0.597 -6.926 7.743 1.00 0.00 H new ATOM 0 HB ILE A 86 0.659 -4.529 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.849 -4.027 6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.018 -4.575 8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.736 -3.646 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.477 -5.261 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.155 -5.075 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.065 -2.133 8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.636 -2.685 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.464 -2.128 7.433 1.00 0.00 H new ATOM 1326 N THR A 87 -2.286 -6.696 9.188 1.00 0.00 N ATOM 1327 CA THR A 87 -3.006 -6.848 10.446 1.00 0.00 C ATOM 1328 C THR A 87 -4.016 -7.988 10.368 1.00 0.00 C ATOM 1329 O THR A 87 -4.558 -8.276 9.301 1.00 0.00 O ATOM 1330 CB THR A 87 -3.741 -5.551 10.833 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.482 -5.750 12.043 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.683 -5.112 9.722 1.00 0.00 C ATOM 0 H THR A 87 -2.876 -6.738 8.357 1.00 0.00 H new ATOM 0 HA THR A 87 -2.263 -7.077 11.210 1.00 0.00 H new ATOM 0 HB THR A 87 -2.997 -4.770 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.945 -4.920 12.283 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.191 -4.194 10.017 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.112 -4.934 8.810 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.421 -5.893 9.541 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.264 -8.632 11.504 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.210 -9.740 11.562 1.00 0.00 C ATOM 1342 C GLU A 88 -6.647 -9.227 11.605 1.00 0.00 C ATOM 1343 O GLU A 88 -7.465 -9.704 12.393 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.931 -10.614 12.786 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.125 -9.890 14.108 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.979 -10.810 15.304 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -5.911 -11.600 15.563 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -3.932 -10.740 15.981 1.00 0.00 O ATOM 0 H GLU A 88 -3.823 -8.406 12.396 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.084 -10.340 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.587 -11.484 12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.908 -10.985 12.731 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.398 -9.082 14.185 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.114 -9.432 14.125 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.947 -8.253 10.754 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.284 -7.674 10.693 1.00 0.00 C ATOM 1357 C LYS A 89 -8.989 -8.067 9.398 1.00 0.00 C ATOM 1358 O LYS A 89 -10.203 -8.269 9.376 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.208 -6.150 10.803 1.00 0.00 C ATOM 1360 CG LYS A 89 -8.001 -5.652 12.222 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.324 -5.373 12.915 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.149 -4.428 14.094 1.00 0.00 C ATOM 1363 NZ LYS A 89 -10.450 -4.097 14.738 1.00 0.00 N ATOM 0 H LYS A 89 -6.282 -7.847 10.096 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.860 -8.064 11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.391 -5.789 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.127 -5.719 10.406 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.441 -6.394 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.400 -4.743 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.025 -4.940 12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.759 -6.311 13.261 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.486 -4.884 14.829 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.668 -3.511 13.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.288 -3.451 15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.074 -3.639 14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.898 -4.969 15.084 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.219 -8.174 8.320 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.768 -8.546 7.021 1.00 0.00 C ATOM 1379 C LYS A 90 -7.672 -9.066 6.097 1.00 0.00 C ATOM 1380 O LYS A 90 -6.702 -8.364 5.812 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.466 -7.345 6.378 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.844 -7.570 4.924 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.158 -8.323 4.800 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.902 -7.941 3.529 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.195 -8.669 3.403 1.00 0.00 N ATOM 0 H LYS A 90 -7.213 -8.008 8.320 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.496 -9.342 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.366 -7.111 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.811 -6.476 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.925 -6.609 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.054 -8.130 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.965 -9.396 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.784 -8.110 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.088 -6.867 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.277 -8.159 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.671 -8.381 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.016 -9.693 3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.802 -8.442 4.216 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.834 -10.299 5.630 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.861 -10.912 4.734 1.00 0.00 C ATOM 1401 C ALA A 91 -7.352 -10.889 3.291 1.00 0.00 C ATOM 1402 O ALA A 91 -8.556 -10.873 3.034 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.567 -12.339 5.171 1.00 0.00 C ATOM 0 H ALA A 91 -8.631 -10.894 5.857 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.940 -10.331 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.839 -12.784 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.164 -12.334 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.487 -12.923 5.150 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.413 -10.886 2.351 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.751 -10.863 0.932 1.00 0.00 C ATOM 1411 C PHE A 92 -5.985 -11.943 0.173 1.00 0.00 C ATOM 1412 O PHE A 92 -4.982 -12.466 0.660 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.443 -9.489 0.335 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.074 -8.353 1.088 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.630 -8.014 2.356 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.112 -7.624 0.528 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.210 -6.970 3.052 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.695 -6.579 1.219 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.243 -6.251 2.482 1.00 0.00 C ATOM 0 H PHE A 92 -5.412 -10.899 2.546 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.818 -11.063 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.363 -9.345 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.788 -9.465 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.822 -8.572 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.469 -7.876 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.856 -6.717 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.503 -6.019 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.696 -5.434 3.023 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.466 -12.272 -1.021 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.828 -13.291 -1.847 1.00 0.00 C ATOM 1431 C ARG A 93 -4.356 -12.961 -2.077 1.00 0.00 C ATOM 1432 O ARG A 93 -3.493 -13.833 -1.985 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.550 -13.413 -3.190 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.037 -13.700 -3.059 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.313 -15.194 -2.993 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.544 -15.492 -2.267 1.00 0.00 N ATOM 1437 CZ ARG A 93 -10.749 -15.480 -2.827 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.882 -15.188 -4.114 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -11.822 -15.762 -2.101 1.00 0.00 N ATOM 0 H ARG A 93 -7.295 -11.848 -1.438 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.891 -14.243 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.415 -12.488 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.085 -14.209 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.424 -13.218 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.568 -13.268 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.383 -15.595 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.476 -15.696 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.475 -15.722 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.058 -14.972 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.808 -15.179 -4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.723 -15.988 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.746 -15.752 -2.532 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.077 -11.696 -2.376 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.710 -11.274 -2.615 1.00 0.00 C ATOM 1455 C GLY A 94 -2.511 -9.790 -2.377 1.00 0.00 C ATOM 1456 O GLY A 94 -3.438 -9.090 -1.967 1.00 0.00 O ATOM 0 H GLY A 94 -4.774 -10.956 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.040 -11.836 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.433 -11.515 -3.641 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.299 -9.309 -2.631 1.00 0.00 N ATOM 1461 CA LEU A 95 -0.980 -7.898 -2.440 1.00 0.00 C ATOM 1462 C LEU A 95 -1.962 -7.011 -3.199 1.00 0.00 C ATOM 1463 O LEU A 95 -2.660 -6.188 -2.604 1.00 0.00 O ATOM 1464 CB LEU A 95 0.449 -7.611 -2.905 1.00 0.00 C ATOM 1465 CG LEU A 95 1.560 -7.970 -1.918 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.818 -6.817 -0.961 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.203 -9.234 -1.149 1.00 0.00 C ATOM 0 H LEU A 95 -0.521 -9.875 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.062 -7.672 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.624 -8.156 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.527 -6.549 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 95 2.473 -8.158 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.612 -7.091 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.119 -5.935 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.908 -6.597 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.005 -9.474 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.277 -9.074 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.071 -10.060 -1.848 1.00 0.00 H new ATOM 1479 N THR A 96 -2.013 -7.184 -4.516 1.00 0.00 N ATOM 1480 CA THR A 96 -2.910 -6.400 -5.356 1.00 0.00 C ATOM 1481 C THR A 96 -4.195 -6.052 -4.613 1.00 0.00 C ATOM 1482 O THR A 96 -4.660 -4.915 -4.661 1.00 0.00 O ATOM 1483 CB THR A 96 -3.266 -7.153 -6.651 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.099 -7.784 -7.189 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.857 -6.204 -7.683 1.00 0.00 C ATOM 0 H THR A 96 -1.443 -7.860 -5.024 1.00 0.00 H new ATOM 0 HA THR A 96 -2.382 -5.481 -5.612 1.00 0.00 H new ATOM 0 HB THR A 96 -4.010 -7.913 -6.410 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.421 -7.104 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.101 -6.758 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.762 -5.748 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.132 -5.425 -7.918 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.762 -7.040 -3.927 1.00 0.00 N ATOM 1494 CA GLU A 97 -5.994 -6.836 -3.174 1.00 0.00 C ATOM 1495 C GLU A 97 -5.723 -6.065 -1.886 1.00 0.00 C ATOM 1496 O GLU A 97 -6.271 -4.983 -1.669 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.647 -8.181 -2.849 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.163 -8.919 -4.073 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.516 -8.411 -4.533 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.535 -8.809 -3.929 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -8.557 -7.618 -5.496 1.00 0.00 O ATOM 0 H GLU A 97 -4.388 -7.988 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.674 -6.249 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.923 -8.812 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.474 -8.016 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.444 -8.814 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.236 -9.983 -3.847 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.875 -6.629 -1.033 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.531 -5.996 0.236 1.00 0.00 C ATOM 1510 C LEU A 98 -4.260 -4.507 0.045 1.00 0.00 C ATOM 1511 O LEU A 98 -4.827 -3.667 0.745 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.306 -6.674 0.851 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.914 -6.207 2.253 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -1.867 -5.107 2.176 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.139 -5.728 3.018 1.00 0.00 C ATOM 0 H LEU A 98 -4.413 -7.523 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.379 -6.109 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.489 -7.748 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.456 -6.516 0.186 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.484 -7.053 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.600 -4.787 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.979 -5.484 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.270 -4.260 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.841 -5.399 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.599 -4.896 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.856 -6.544 3.105 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.392 -4.186 -0.909 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.048 -2.798 -1.194 1.00 0.00 C ATOM 1529 C VAL A 99 -4.255 -2.030 -1.723 1.00 0.00 C ATOM 1530 O VAL A 99 -4.554 -0.930 -1.260 1.00 0.00 O ATOM 1531 CB VAL A 99 -1.903 -2.703 -2.220 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.554 -1.249 -2.497 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.684 -3.469 -1.730 1.00 0.00 C ATOM 0 H VAL A 99 -2.914 -4.868 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.721 -2.353 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.236 -3.156 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.743 -1.202 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.429 -0.734 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.240 -0.768 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.115 -3.391 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.346 -3.048 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.946 -4.518 -1.588 1.00 0.00 H new ATOM 1543 N GLU A 100 -4.944 -2.619 -2.695 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.119 -1.990 -3.287 1.00 0.00 C ATOM 1545 C GLU A 100 -7.152 -1.650 -2.216 1.00 0.00 C ATOM 1546 O GLU A 100 -7.870 -0.656 -2.324 1.00 0.00 O ATOM 1547 CB GLU A 100 -6.742 -2.910 -4.339 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.230 -2.658 -5.747 1.00 0.00 C ATOM 1549 CD GLU A 100 -7.276 -2.943 -6.807 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -7.839 -4.058 -6.801 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -7.532 -2.052 -7.644 1.00 0.00 O ATOM 0 H GLU A 100 -4.709 -3.530 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.801 -1.065 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.541 -3.946 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.824 -2.782 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.906 -1.621 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.355 -3.282 -5.928 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.221 -2.484 -1.184 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.166 -2.274 -0.093 1.00 0.00 C ATOM 1560 C PHE A 101 -7.753 -1.081 0.763 1.00 0.00 C ATOM 1561 O PHE A 101 -8.548 -0.174 1.010 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.264 -3.530 0.775 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.294 -3.428 1.863 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.611 -3.787 1.624 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -8.946 -2.974 3.124 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.562 -3.695 2.623 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -9.891 -2.880 4.128 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.201 -3.239 3.877 1.00 0.00 C ATOM 0 H PHE A 101 -6.634 -3.312 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.143 -2.065 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.502 -4.383 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.291 -3.728 1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.898 -4.143 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.924 -2.690 3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.585 -3.979 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.606 -2.526 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.942 -3.164 4.659 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.503 -1.089 1.214 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.983 -0.010 2.045 1.00 0.00 C ATOM 1580 C TYR A 102 -6.059 1.326 1.314 1.00 0.00 C ATOM 1581 O TYR A 102 -6.116 2.385 1.939 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.537 -0.302 2.450 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.413 -1.316 3.565 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.227 -1.246 4.688 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.482 -2.344 3.494 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.117 -2.170 5.710 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.365 -3.274 4.510 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.184 -3.182 5.616 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.072 -4.105 6.630 1.00 0.00 O ATOM 0 H TYR A 102 -5.831 -1.831 1.018 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.599 0.053 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.991 -0.664 1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.061 0.628 2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.959 -0.456 4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.838 -2.418 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.757 -2.100 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.637 -4.068 4.438 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.682 -4.932 6.278 1.00 0.00 H new ATOM 1599 N GLN A 103 -6.059 1.267 -0.014 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.128 2.473 -0.831 1.00 0.00 C ATOM 1601 C GLN A 103 -7.355 3.304 -0.474 1.00 0.00 C ATOM 1602 O GLN A 103 -7.466 4.465 -0.868 1.00 0.00 O ATOM 1603 CB GLN A 103 -6.160 2.106 -2.316 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.797 1.749 -2.885 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.884 1.138 -4.270 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.937 1.165 -4.907 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.774 0.583 -4.743 1.00 0.00 N ATOM 0 H GLN A 103 -6.012 0.398 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.238 3.069 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.836 1.263 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.572 2.943 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.179 2.646 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.299 1.049 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.924 0.584 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.772 0.156 -5.669 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.274 2.702 0.275 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.494 3.387 0.684 1.00 0.00 C ATOM 1618 C GLN A 104 -9.560 3.521 2.202 1.00 0.00 C ATOM 1619 O GLN A 104 -10.269 4.377 2.729 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.723 2.635 0.173 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.550 2.066 -1.227 1.00 0.00 C ATOM 1622 CD GLN A 104 -10.981 3.037 -2.308 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -11.228 4.213 -2.041 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -11.072 2.549 -3.540 1.00 0.00 N ATOM 0 H GLN A 104 -8.196 1.742 0.610 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.482 4.386 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -10.953 1.821 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -11.580 3.309 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.504 1.799 -1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.130 1.148 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -10.858 1.568 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.356 3.156 -4.309 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.816 2.669 2.899 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.791 2.691 4.357 1.00 0.00 C ATOM 1635 C ASN A 105 -7.380 2.957 4.873 1.00 0.00 C ATOM 1636 O ASN A 105 -6.435 2.254 4.516 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.309 1.365 4.917 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.425 0.778 4.074 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.592 0.803 4.465 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.069 0.246 2.911 1.00 0.00 N ATOM 0 H ASN A 105 -8.222 1.955 2.478 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.441 3.499 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.487 0.652 4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.668 1.519 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.775 -0.165 2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.089 0.248 2.628 1.00 0.00 H new ATOM 1647 N SER A 106 -7.246 3.977 5.715 1.00 0.00 N ATOM 1648 CA SER A 106 -5.950 4.338 6.278 1.00 0.00 C ATOM 1649 C SER A 106 -5.336 3.160 7.027 1.00 0.00 C ATOM 1650 O SER A 106 -6.044 2.371 7.655 1.00 0.00 O ATOM 1651 CB SER A 106 -6.095 5.536 7.218 1.00 0.00 C ATOM 1652 OG SER A 106 -4.831 6.100 7.524 1.00 0.00 O ATOM 0 H SER A 106 -8.019 4.568 6.022 1.00 0.00 H new ATOM 0 HA SER A 106 -5.287 4.608 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.731 6.291 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.589 5.223 8.138 1.00 0.00 H new ATOM 0 HG SER A 106 -4.951 6.865 8.125 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.014 3.047 6.957 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.302 1.965 7.629 1.00 0.00 C ATOM 1660 C LEU A 107 -3.396 2.110 9.145 1.00 0.00 C ATOM 1661 O LEU A 107 -3.033 1.200 9.890 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.835 1.948 7.197 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.552 1.383 5.805 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.488 -0.136 5.849 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -2.611 1.846 4.816 1.00 0.00 C ATOM 0 H LEU A 107 -3.414 3.691 6.442 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.770 1.023 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.453 2.968 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.269 1.367 7.925 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.584 1.757 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.286 -0.521 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.692 -0.447 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.440 -0.530 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.393 1.434 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.591 1.501 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.608 2.935 4.763 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.889 3.259 9.595 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.036 3.523 11.021 1.00 0.00 C ATOM 1679 C LYS A 108 -4.585 2.300 11.747 1.00 0.00 C ATOM 1680 O LYS A 108 -4.215 2.026 12.889 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.961 4.721 11.246 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.437 4.379 11.140 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.310 5.606 11.340 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.700 5.403 10.757 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.522 6.642 10.838 1.00 0.00 N ATOM 0 H LYS A 108 -4.194 4.023 8.992 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.050 3.752 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.764 5.141 12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.723 5.495 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.641 3.942 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.691 3.625 11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.390 5.827 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.839 6.469 10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.615 5.091 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.204 4.597 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.462 6.462 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.625 6.926 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.054 7.404 10.307 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.469 1.567 11.078 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.067 0.371 11.659 1.00 0.00 C ATOM 1701 C ASP A 109 -5.024 -0.445 12.417 1.00 0.00 C ATOM 1702 O ASP A 109 -5.285 -0.938 13.515 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.709 -0.486 10.567 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.875 0.212 9.894 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.498 1.081 10.539 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.164 -0.112 8.723 1.00 0.00 O ATOM 0 H ASP A 109 -5.787 1.781 10.133 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.838 0.685 12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.958 -0.737 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.053 -1.425 11.001 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.845 -0.585 11.823 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.762 -1.343 12.440 1.00 0.00 C ATOM 1713 C CYS A 110 -1.828 -0.422 13.219 1.00 0.00 C ATOM 1714 O CYS A 110 -1.222 -0.829 14.210 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.975 -2.107 11.375 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.961 -3.453 12.030 1.00 0.00 S ATOM 0 H CYS A 110 -3.614 -0.184 10.914 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.202 -2.056 13.137 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.674 -2.515 10.645 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.331 -1.407 10.843 1.00 0.00 H new ATOM 0 HG CYS A 110 0.292 -3.110 11.992 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.715 0.820 12.762 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.852 1.799 13.414 1.00 0.00 C ATOM 1724 C PHE A 111 -1.567 3.138 13.567 1.00 0.00 C ATOM 1725 O PHE A 111 -1.359 4.060 12.778 1.00 0.00 O ATOM 1726 CB PHE A 111 0.438 1.986 12.613 1.00 0.00 C ATOM 1727 CG PHE A 111 1.274 0.740 12.524 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.176 0.423 13.526 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.156 -0.112 11.438 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.947 -0.722 13.445 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.923 -1.259 11.353 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.819 -1.564 12.358 1.00 0.00 C ATOM 0 H PHE A 111 -2.210 1.173 11.943 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.604 1.424 14.407 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.186 2.318 11.606 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.029 2.779 13.071 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.278 1.077 14.379 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.457 0.123 10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.649 -0.958 14.231 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.821 -1.916 10.502 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.419 -2.460 12.294 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.412 3.237 14.587 1.00 0.00 N ATOM 1743 CA LYS A 112 -3.159 4.463 14.846 1.00 0.00 C ATOM 1744 C LYS A 112 -2.263 5.688 14.695 1.00 0.00 C ATOM 1745 O LYS A 112 -2.739 6.783 14.393 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.762 4.429 16.253 1.00 0.00 C ATOM 1747 CG LYS A 112 -2.740 4.630 17.358 1.00 0.00 C ATOM 1748 CD LYS A 112 -2.149 3.308 17.819 1.00 0.00 C ATOM 1749 CE LYS A 112 -0.975 3.520 18.762 1.00 0.00 C ATOM 1750 NZ LYS A 112 -0.057 2.347 18.778 1.00 0.00 N ATOM 0 H LYS A 112 -2.597 2.483 15.248 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.964 4.531 14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.526 5.203 16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.262 3.472 16.402 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.942 5.282 17.002 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.210 5.133 18.203 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.918 2.720 18.320 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.822 2.733 16.953 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.422 4.409 18.460 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.347 3.703 19.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.730 2.531 19.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.578 1.503 19.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.319 2.187 17.821 1.00 0.00 H new ATOM 1764 N SER A 113 -0.965 5.496 14.905 1.00 0.00 N ATOM 1765 CA SER A 113 -0.003 6.587 14.794 1.00 0.00 C ATOM 1766 C SER A 113 0.228 6.960 13.333 1.00 0.00 C ATOM 1767 O SER A 113 0.376 8.136 12.997 1.00 0.00 O ATOM 1768 CB SER A 113 1.323 6.194 15.448 1.00 0.00 C ATOM 1769 OG SER A 113 1.944 5.133 14.744 1.00 0.00 O ATOM 0 H SER A 113 -0.555 4.596 15.153 1.00 0.00 H new ATOM 0 HA SER A 113 -0.412 7.454 15.312 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.989 7.056 15.474 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.148 5.895 16.482 1.00 0.00 H new ATOM 0 HG SER A 113 2.790 4.902 15.181 1.00 0.00 H new ATOM 1775 N LEU A 114 0.257 5.952 12.469 1.00 0.00 N ATOM 1776 CA LEU A 114 0.471 6.173 11.043 1.00 0.00 C ATOM 1777 C LEU A 114 -0.859 6.244 10.298 1.00 0.00 C ATOM 1778 O LEU A 114 -1.447 5.217 9.957 1.00 0.00 O ATOM 1779 CB LEU A 114 1.337 5.056 10.458 1.00 0.00 C ATOM 1780 CG LEU A 114 1.615 5.139 8.956 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.139 6.517 8.586 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.602 4.060 8.536 1.00 0.00 C ATOM 0 H LEU A 114 0.135 4.974 12.731 1.00 0.00 H new ATOM 0 HA LEU A 114 0.987 7.126 10.921 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.292 5.050 10.984 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.853 4.102 10.665 1.00 0.00 H new ATOM 0 HG LEU A 114 0.679 4.974 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.331 6.557 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.398 7.271 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.064 6.712 9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.788 4.134 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.539 4.193 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.187 3.078 8.765 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.326 7.462 10.047 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.584 7.668 9.340 1.00 0.00 C ATOM 1796 C ASP A 115 -2.333 8.038 7.881 1.00 0.00 C ATOM 1797 O ASP A 115 -2.389 9.210 7.508 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.405 8.763 10.023 1.00 0.00 C ATOM 1799 CG ASP A 115 -2.536 9.763 10.760 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.927 9.381 11.780 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.465 10.929 10.316 1.00 0.00 O ATOM 0 H ASP A 115 -0.852 8.322 10.323 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.145 6.734 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.001 9.286 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.103 8.306 10.725 1.00 0.00 H new ATOM 1806 N THR A 116 -2.056 7.030 7.059 1.00 0.00 N ATOM 1807 CA THR A 116 -1.794 7.249 5.643 1.00 0.00 C ATOM 1808 C THR A 116 -2.411 6.144 4.792 1.00 0.00 C ATOM 1809 O THR A 116 -2.654 5.037 5.274 1.00 0.00 O ATOM 1810 CB THR A 116 -0.282 7.319 5.355 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.060 7.747 4.007 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.374 5.965 5.577 1.00 0.00 C ATOM 0 H THR A 116 -2.008 6.054 7.351 1.00 0.00 H new ATOM 0 HA THR A 116 -2.251 8.204 5.382 1.00 0.00 H new ATOM 0 HB THR A 116 0.164 8.038 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.190 8.694 4.002 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.441 6.039 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.228 5.655 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.076 5.229 4.911 1.00 0.00 H new ATOM 1820 N THR A 117 -2.661 6.451 3.523 1.00 0.00 N ATOM 1821 CA THR A 117 -3.250 5.484 2.605 1.00 0.00 C ATOM 1822 C THR A 117 -2.400 5.328 1.350 1.00 0.00 C ATOM 1823 O THR A 117 -1.722 6.266 0.927 1.00 0.00 O ATOM 1824 CB THR A 117 -4.678 5.894 2.197 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.703 7.277 1.826 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.657 5.651 3.335 1.00 0.00 C ATOM 0 H THR A 117 -2.465 7.362 3.108 1.00 0.00 H new ATOM 0 HA THR A 117 -3.290 4.531 3.133 1.00 0.00 H new ATOM 0 HB THR A 117 -4.978 5.284 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.614 7.530 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.658 5.948 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.657 4.593 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.358 6.238 4.203 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.439 4.139 0.758 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.671 3.861 -0.451 1.00 0.00 C ATOM 1836 C LEU A 118 -2.035 4.838 -1.564 1.00 0.00 C ATOM 1837 O LEU A 118 -2.962 4.596 -2.336 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.918 2.425 -0.916 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.456 1.322 0.037 1.00 0.00 C ATOM 1840 CD1 LEU A 118 -0.006 1.538 0.440 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.351 1.269 1.266 1.00 0.00 C ATOM 0 H LEU A 118 -2.994 3.352 1.095 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.614 3.984 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.986 2.300 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.417 2.283 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.529 0.366 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.305 0.744 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.625 1.524 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.093 2.501 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.007 0.478 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.311 2.226 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.377 1.065 0.960 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.297 5.941 -1.641 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.542 6.954 -2.661 1.00 0.00 C ATOM 1855 C GLN A 119 -1.118 6.453 -4.038 1.00 0.00 C ATOM 1856 O GLN A 119 -1.957 6.122 -4.876 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.792 8.243 -2.321 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.969 8.686 -0.877 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.997 10.195 -0.730 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.690 10.928 -1.670 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.366 10.667 0.455 1.00 0.00 N ATOM 0 H GLN A 119 -0.525 6.156 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.612 7.160 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.270 8.099 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.136 9.039 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.896 8.269 -0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.156 8.281 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.612 10.023 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.403 11.674 0.614 1.00 0.00 H new ATOM 1870 N PHE A 120 0.191 6.400 -4.265 1.00 0.00 N ATOM 1871 CA PHE A 120 0.727 5.941 -5.541 1.00 0.00 C ATOM 1872 C PHE A 120 1.997 5.121 -5.334 1.00 0.00 C ATOM 1873 O PHE A 120 2.714 5.280 -4.346 1.00 0.00 O ATOM 1874 CB PHE A 120 1.019 7.134 -6.454 1.00 0.00 C ATOM 1875 CG PHE A 120 0.170 8.337 -6.159 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.192 8.318 -6.410 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.735 9.487 -5.632 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -1.977 9.424 -6.139 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.045 10.595 -5.358 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.402 10.564 -5.614 1.00 0.00 C ATOM 0 H PHE A 120 0.899 6.669 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.021 5.305 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.069 7.408 -6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.863 6.835 -7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.646 7.429 -6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.796 9.518 -5.433 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.038 9.396 -6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.406 11.484 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.012 11.430 -5.404 1.00 0.00 H new ATOM 1890 N PRO A 121 2.283 4.223 -6.288 1.00 0.00 N ATOM 1891 CA PRO A 121 3.467 3.360 -6.233 1.00 0.00 C ATOM 1892 C PRO A 121 4.761 4.138 -6.441 1.00 0.00 C ATOM 1893 O PRO A 121 4.739 5.321 -6.783 1.00 0.00 O ATOM 1894 CB PRO A 121 3.243 2.377 -7.386 1.00 0.00 C ATOM 1895 CG PRO A 121 2.357 3.105 -8.337 1.00 0.00 C ATOM 1896 CD PRO A 121 1.473 3.980 -7.493 1.00 0.00 C ATOM 0 HA PRO A 121 3.577 2.880 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.185 2.098 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.777 1.456 -7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.942 3.701 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.765 2.408 -8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.223 4.910 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.532 3.486 -7.252 1.00 0.00 H new ATOM 1904 N PHE A 122 5.890 3.467 -6.234 1.00 0.00 N ATOM 1905 CA PHE A 122 7.195 4.096 -6.398 1.00 0.00 C ATOM 1906 C PHE A 122 7.604 4.125 -7.868 1.00 0.00 C ATOM 1907 O PHE A 122 8.167 5.108 -8.349 1.00 0.00 O ATOM 1908 CB PHE A 122 8.250 3.352 -5.578 1.00 0.00 C ATOM 1909 CG PHE A 122 8.602 2.003 -6.137 1.00 0.00 C ATOM 1910 CD1 PHE A 122 7.765 0.917 -5.938 1.00 0.00 C ATOM 1911 CD2 PHE A 122 9.769 1.821 -6.861 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.087 -0.326 -6.451 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.097 0.581 -7.376 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.254 -0.494 -7.171 1.00 0.00 C ATOM 0 H PHE A 122 5.927 2.487 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 122 7.123 5.123 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.153 3.961 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.886 3.230 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 122 6.851 1.043 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.431 2.659 -7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.427 -1.165 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.011 0.453 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 122 9.507 -1.464 -7.573 1.00 0.00 H new ATOM 1924 N LYS A 123 7.317 3.038 -8.577 1.00 0.00 N ATOM 1925 CA LYS A 123 7.653 2.936 -9.992 1.00 0.00 C ATOM 1926 C LYS A 123 6.816 3.905 -10.821 1.00 0.00 C ATOM 1927 O LYS A 123 7.193 4.269 -11.934 1.00 0.00 O ATOM 1928 CB LYS A 123 7.434 1.505 -10.487 1.00 0.00 C ATOM 1929 CG LYS A 123 8.627 0.593 -10.257 1.00 0.00 C ATOM 1930 CD LYS A 123 8.697 -0.509 -11.301 1.00 0.00 C ATOM 1931 CE LYS A 123 7.977 -1.765 -10.835 1.00 0.00 C ATOM 1932 NZ LYS A 123 8.891 -2.692 -10.112 1.00 0.00 N ATOM 0 H LYS A 123 6.852 2.215 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 123 8.704 3.198 -10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.563 1.085 -9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.206 1.529 -11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.545 1.180 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.561 0.150 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.253 -0.158 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.740 -0.744 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.149 -1.488 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.546 -2.277 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.378 -3.144 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.234 -3.423 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.700 -2.158 -9.735 1.00 0.00 H new ATOM 1946 N GLU A 124 5.679 4.320 -10.270 1.00 0.00 N ATOM 1947 CA GLU A 124 4.791 5.248 -10.960 1.00 0.00 C ATOM 1948 C GLU A 124 5.585 6.213 -11.836 1.00 0.00 C ATOM 1949 O GLU A 124 6.510 6.886 -11.381 1.00 0.00 O ATOM 1950 CB GLU A 124 3.952 6.033 -9.949 1.00 0.00 C ATOM 1951 CG GLU A 124 2.528 6.292 -10.410 1.00 0.00 C ATOM 1952 CD GLU A 124 1.929 7.536 -9.783 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.699 8.460 -9.447 1.00 0.00 O ATOM 1954 OE2 GLU A 124 0.691 7.586 -9.629 1.00 0.00 O ATOM 0 H GLU A 124 5.352 4.028 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 124 4.127 4.667 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.926 5.484 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.439 6.987 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.514 6.394 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.908 5.430 -10.163 1.00 0.00 H new ATOM 1961 N PRO A 125 5.216 6.282 -13.123 1.00 0.00 N ATOM 1962 CA PRO A 125 5.880 7.160 -14.091 1.00 0.00 C ATOM 1963 C PRO A 125 5.593 8.634 -13.828 1.00 0.00 C ATOM 1964 O PRO A 125 4.530 8.987 -13.318 1.00 0.00 O ATOM 1965 CB PRO A 125 5.280 6.729 -15.432 1.00 0.00 C ATOM 1966 CG PRO A 125 3.953 6.150 -15.084 1.00 0.00 C ATOM 1967 CD PRO A 125 4.122 5.508 -13.734 1.00 0.00 C ATOM 0 HA PRO A 125 6.965 7.069 -14.046 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.177 7.576 -16.110 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.913 5.996 -15.932 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.185 6.923 -15.055 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.640 5.418 -15.828 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.208 5.568 -13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.376 4.452 -13.820 1.00 0.00 H new