USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 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 91 HIS : no HD1:sc= -9.03! C(o=-9.2!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -162:sc= -0.193 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -1.76 (180deg=-2.89!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 71:sc= 0.714 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=0.000986 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-0.82) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -104:sc= 1.1 USER MOD Single : A 101 THR OG1 : rot 125:sc= 0.293 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 128:sc= -0.167 (180deg=-0.238) USER MOD Single : A 107 MET CE :methyl 150:sc= -0.0455 (180deg=-0.581) USER MOD Single : A 111 MET CE :methyl -107:sc= -0.222 (180deg=-2.31) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -114:sc= -0.683 (180deg=-3.46!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.288 -4.014 4.711 1.00 0.00 N ATOM 266 CA PRO A 20 -12.346 -4.433 5.753 1.00 0.00 C ATOM 267 C PRO A 20 -10.904 -4.447 5.259 1.00 0.00 C ATOM 268 O PRO A 20 -10.487 -5.365 4.552 1.00 0.00 O ATOM 269 CB PRO A 20 -12.806 -5.851 6.098 1.00 0.00 C ATOM 270 CG PRO A 20 -14.261 -5.866 5.778 1.00 0.00 C ATOM 271 CD PRO A 20 -14.455 -4.907 4.625 1.00 0.00 C ATOM 0 HA PRO A 20 -12.349 -3.750 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.265 -6.596 5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.629 -6.080 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.589 -6.870 5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.852 -5.560 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.488 -5.431 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.390 -4.354 4.718 1.00 0.00 H new ATOM 279 N VAL A 21 -10.144 -3.422 5.635 1.00 0.00 N ATOM 280 CA VAL A 21 -8.747 -3.318 5.231 1.00 0.00 C ATOM 281 C VAL A 21 -7.952 -4.538 5.681 1.00 0.00 C ATOM 282 O VAL A 21 -7.940 -4.882 6.863 1.00 0.00 O ATOM 283 CB VAL A 21 -8.090 -2.049 5.806 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.650 -1.930 5.330 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.891 -0.814 5.421 1.00 0.00 C ATOM 0 H VAL A 21 -10.473 -2.653 6.218 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.735 -3.263 4.142 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.083 -2.125 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.203 -1.028 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.084 -2.801 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.630 -1.876 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.413 0.074 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.932 -0.731 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.903 -0.899 5.816 1.00 0.00 H new ATOM 295 N VAL A 22 -7.287 -5.188 4.732 1.00 0.00 N ATOM 296 CA VAL A 22 -6.486 -6.369 5.031 1.00 0.00 C ATOM 297 C VAL A 22 -5.272 -6.010 5.880 1.00 0.00 C ATOM 298 O VAL A 22 -4.995 -6.656 6.890 1.00 0.00 O ATOM 299 CB VAL A 22 -6.010 -7.065 3.742 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.152 -8.277 4.075 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.200 -7.465 2.882 1.00 0.00 C ATOM 0 H VAL A 22 -7.287 -4.917 3.749 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.126 -7.052 5.589 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.400 -6.362 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.825 -8.756 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.281 -7.960 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.735 -8.985 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.845 -7.955 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.838 -8.151 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.771 -6.576 2.614 1.00 0.00 H new ATOM 311 N ARG A 23 -4.551 -4.974 5.463 1.00 0.00 N ATOM 312 CA ARG A 23 -3.365 -4.529 6.184 1.00 0.00 C ATOM 313 C ARG A 23 -2.800 -3.253 5.567 1.00 0.00 C ATOM 314 O ARG A 23 -2.862 -3.059 4.352 1.00 0.00 O ATOM 315 CB ARG A 23 -2.298 -5.625 6.182 1.00 0.00 C ATOM 316 CG ARG A 23 -1.158 -5.368 7.153 1.00 0.00 C ATOM 317 CD ARG A 23 -0.037 -4.576 6.498 1.00 0.00 C ATOM 318 NE ARG A 23 1.261 -4.860 7.105 1.00 0.00 N ATOM 319 CZ ARG A 23 1.634 -4.394 8.292 1.00 0.00 C ATOM 320 NH1 ARG A 23 0.813 -3.627 8.995 1.00 0.00 N ATOM 321 NH2 ARG A 23 2.832 -4.697 8.778 1.00 0.00 N ATOM 0 H ARG A 23 -4.768 -4.427 4.630 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.655 -4.317 7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.767 -6.577 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.891 -5.722 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.532 -4.823 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.768 -6.318 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.001 -4.813 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.250 -3.510 6.580 1.00 0.00 H new ATOM 0 HE ARG A 23 1.916 -5.448 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.108 -3.393 8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.102 -3.271 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.466 -5.288 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.118 -4.339 9.689 1.00 0.00 H new ATOM 335 N ARG A 24 -2.250 -2.386 6.411 1.00 0.00 N ATOM 336 CA ARG A 24 -1.675 -1.129 5.948 1.00 0.00 C ATOM 337 C ARG A 24 -0.326 -0.870 6.612 1.00 0.00 C ATOM 338 O ARG A 24 -0.204 -0.928 7.835 1.00 0.00 O ATOM 339 CB ARG A 24 -2.630 0.030 6.240 1.00 0.00 C ATOM 340 CG ARG A 24 -3.195 0.014 7.651 1.00 0.00 C ATOM 341 CD ARG A 24 -3.914 1.313 7.978 1.00 0.00 C ATOM 342 NE ARG A 24 -3.982 1.553 9.417 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.584 2.605 9.959 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.168 3.510 9.186 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.604 2.754 11.278 1.00 0.00 N ATOM 0 H ARG A 24 -2.191 -2.531 7.419 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.522 -1.203 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.105 0.971 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.454 -0.001 5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.886 -0.822 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.388 -0.146 8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.399 2.144 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.923 1.282 7.567 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.543 0.875 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.156 3.399 8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.630 4.317 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.156 2.060 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.067 3.563 11.693 1.00 0.00 H new ATOM 359 N GLY A 25 0.685 -0.586 5.797 1.00 0.00 N ATOM 360 CA GLY A 25 2.011 -0.323 6.323 1.00 0.00 C ATOM 361 C GLY A 25 2.886 0.431 5.342 1.00 0.00 C ATOM 362 O GLY A 25 2.659 0.381 4.133 1.00 0.00 O ATOM 0 H GLY A 25 0.609 -0.533 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.925 0.252 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.490 -1.268 6.580 1.00 0.00 H new ATOM 366 N TRP A 26 3.886 1.133 5.862 1.00 0.00 N ATOM 367 CA TRP A 26 4.797 1.903 5.022 1.00 0.00 C ATOM 368 C TRP A 26 5.627 0.983 4.134 1.00 0.00 C ATOM 369 O TRP A 26 6.690 0.508 4.536 1.00 0.00 O ATOM 370 CB TRP A 26 5.718 2.763 5.889 1.00 0.00 C ATOM 371 CG TRP A 26 5.042 3.977 6.451 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.417 4.080 7.661 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.922 5.259 5.824 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.915 5.349 7.824 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.213 6.092 6.712 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.347 5.785 4.601 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.919 7.419 6.412 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.054 7.102 4.305 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.347 7.908 5.208 1.00 0.00 C ATOM 0 H TRP A 26 4.087 1.185 6.861 1.00 0.00 H new ATOM 0 HA TRP A 26 4.200 2.553 4.382 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.102 2.157 6.710 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.576 3.076 5.295 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.330 3.282 8.383 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.403 5.684 8.641 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.895 5.173 3.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.372 8.041 7.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.375 7.518 3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.136 8.935 4.948 1.00 0.00 H new ATOM 390 N LEU A 27 5.137 0.736 2.924 1.00 0.00 N ATOM 391 CA LEU A 27 5.834 -0.128 1.978 1.00 0.00 C ATOM 392 C LEU A 27 6.883 0.657 1.195 1.00 0.00 C ATOM 393 O LEU A 27 6.827 1.884 1.122 1.00 0.00 O ATOM 394 CB LEU A 27 4.837 -0.771 1.013 1.00 0.00 C ATOM 395 CG LEU A 27 5.386 -1.889 0.126 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.784 -3.091 0.968 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.361 -2.288 -0.926 1.00 0.00 C ATOM 0 H LEU A 27 4.260 1.122 2.575 1.00 0.00 H new ATOM 0 HA LEU A 27 6.339 -0.911 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.006 -1.171 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.430 0.009 0.370 1.00 0.00 H new ATOM 0 HG LEU A 27 6.275 -1.518 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.172 -3.877 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.553 -2.796 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.912 -3.463 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.769 -3.085 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.454 -2.640 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.125 -1.426 -1.550 1.00 0.00 H new ATOM 409 N TYR A 28 7.836 -0.060 0.611 1.00 0.00 N ATOM 410 CA TYR A 28 8.898 0.569 -0.166 1.00 0.00 C ATOM 411 C TYR A 28 8.722 0.288 -1.655 1.00 0.00 C ATOM 412 O TYR A 28 8.563 -0.861 -2.068 1.00 0.00 O ATOM 413 CB TYR A 28 10.266 0.068 0.301 1.00 0.00 C ATOM 414 CG TYR A 28 10.528 0.306 1.771 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.669 1.594 2.273 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.633 -0.758 2.659 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.910 1.815 3.615 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.872 -0.546 4.003 1.00 0.00 C ATOM 419 CZ TYR A 28 11.010 0.742 4.476 1.00 0.00 C ATOM 420 OH TYR A 28 11.248 0.959 5.814 1.00 0.00 O ATOM 0 H TYR A 28 7.895 -1.077 0.661 1.00 0.00 H new ATOM 0 HA TYR A 28 8.840 1.646 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.342 -1.000 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.043 0.562 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.589 2.437 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.526 -1.768 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.020 2.823 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.950 -1.384 4.679 1.00 0.00 H new ATOM 0 HH TYR A 28 11.289 0.099 6.283 1.00 0.00 H new ATOM 430 N LYS A 29 8.754 1.346 -2.457 1.00 0.00 N ATOM 431 CA LYS A 29 8.600 1.217 -3.902 1.00 0.00 C ATOM 432 C LYS A 29 9.789 1.833 -4.632 1.00 0.00 C ATOM 433 O LYS A 29 10.403 2.783 -4.146 1.00 0.00 O ATOM 434 CB LYS A 29 7.303 1.888 -4.360 1.00 0.00 C ATOM 435 CG LYS A 29 6.807 1.395 -5.708 1.00 0.00 C ATOM 436 CD LYS A 29 5.312 1.613 -5.866 1.00 0.00 C ATOM 437 CE LYS A 29 4.999 3.036 -6.301 1.00 0.00 C ATOM 438 NZ LYS A 29 5.642 4.043 -5.412 1.00 0.00 N ATOM 0 H LYS A 29 8.885 2.304 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 29 8.557 0.155 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.530 1.714 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.460 2.965 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.338 1.916 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.034 0.334 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.917 0.912 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.811 1.402 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.340 3.186 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.920 3.187 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.166 4.961 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.563 3.733 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.646 4.139 -5.666 1.00 0.00 H new ATOM 571 N TRP A 38 14.964 2.608 -3.706 1.00 0.00 N ATOM 572 CA TRP A 38 13.656 2.457 -3.080 1.00 0.00 C ATOM 573 C TRP A 38 13.259 3.726 -2.334 1.00 0.00 C ATOM 574 O TRP A 38 14.113 4.526 -1.951 1.00 0.00 O ATOM 575 CB TRP A 38 13.661 1.267 -2.119 1.00 0.00 C ATOM 576 CG TRP A 38 14.278 0.033 -2.706 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.607 -0.279 -2.746 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.590 -1.052 -3.337 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.786 -1.493 -3.364 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.565 -1.988 -3.736 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.246 -1.325 -3.603 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.235 -3.174 -4.386 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.920 -2.502 -4.249 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.911 -3.415 -4.634 1.00 0.00 C ATOM 0 HA TRP A 38 12.924 2.276 -3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.204 1.541 -1.215 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.636 1.046 -1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.400 0.338 -2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.684 -1.951 -3.520 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.475 -0.628 -3.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.997 -3.879 -4.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.884 -2.722 -4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.624 -4.327 -5.136 1.00 0.00 H new ATOM 595 N LYS A 39 11.958 3.906 -2.131 1.00 0.00 N ATOM 596 CA LYS A 39 11.447 5.077 -1.429 1.00 0.00 C ATOM 597 C LYS A 39 10.322 4.692 -0.475 1.00 0.00 C ATOM 598 O LYS A 39 9.538 3.785 -0.756 1.00 0.00 O ATOM 599 CB LYS A 39 10.946 6.119 -2.431 1.00 0.00 C ATOM 600 CG LYS A 39 12.052 6.741 -3.267 1.00 0.00 C ATOM 601 CD LYS A 39 12.769 7.846 -2.510 1.00 0.00 C ATOM 602 CE LYS A 39 13.987 8.344 -3.273 1.00 0.00 C ATOM 603 NZ LYS A 39 13.627 9.390 -4.270 1.00 0.00 N ATOM 0 H LYS A 39 11.238 3.255 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 39 12.263 5.505 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.219 5.652 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.423 6.908 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.769 5.972 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.630 7.144 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.083 8.675 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.077 7.478 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.716 8.748 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.465 7.506 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.484 9.704 -4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.951 8.998 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.194 10.200 -3.782 1.00 0.00 H new ATOM 617 N LYS A 40 10.246 5.388 0.655 1.00 0.00 N ATOM 618 CA LYS A 40 9.215 5.121 1.651 1.00 0.00 C ATOM 619 C LYS A 40 7.897 5.784 1.260 1.00 0.00 C ATOM 620 O LYS A 40 7.857 6.978 0.963 1.00 0.00 O ATOM 621 CB LYS A 40 9.662 5.622 3.025 1.00 0.00 C ATOM 622 CG LYS A 40 8.870 5.028 4.177 1.00 0.00 C ATOM 623 CD LYS A 40 9.562 5.261 5.509 1.00 0.00 C ATOM 624 CE LYS A 40 8.715 4.767 6.672 1.00 0.00 C ATOM 625 NZ LYS A 40 9.329 5.099 7.987 1.00 0.00 N ATOM 0 H LYS A 40 10.887 6.142 0.904 1.00 0.00 H new ATOM 0 HA LYS A 40 9.060 4.043 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.718 5.388 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.570 6.708 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.874 5.470 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.739 3.958 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.524 4.748 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.767 6.324 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.722 5.212 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.586 3.688 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.721 4.745 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.266 4.653 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.429 6.131 8.073 1.00 0.00 H new ATOM 639 N ARG A 41 6.823 5.002 1.265 1.00 0.00 N ATOM 640 CA ARG A 41 5.504 5.514 0.911 1.00 0.00 C ATOM 641 C ARG A 41 4.407 4.721 1.616 1.00 0.00 C ATOM 642 O ARG A 41 4.534 3.514 1.822 1.00 0.00 O ATOM 643 CB ARG A 41 5.299 5.453 -0.604 1.00 0.00 C ATOM 644 CG ARG A 41 4.040 6.160 -1.077 1.00 0.00 C ATOM 645 CD ARG A 41 4.161 7.669 -0.934 1.00 0.00 C ATOM 646 NE ARG A 41 5.014 8.250 -1.967 1.00 0.00 N ATOM 647 CZ ARG A 41 5.362 9.531 -1.998 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.934 10.361 -1.057 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.142 9.985 -2.972 1.00 0.00 N ATOM 0 H ARG A 41 6.840 4.012 1.510 1.00 0.00 H new ATOM 0 HA ARG A 41 5.445 6.553 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.163 5.899 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.258 4.409 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.849 5.906 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.185 5.806 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.170 8.119 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.567 7.909 0.049 1.00 0.00 H new ATOM 0 HE ARG A 41 5.362 7.638 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.336 10.016 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.203 11.345 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.474 9.350 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.409 10.969 -2.995 1.00 0.00 H new ATOM 663 N TRP A 42 3.331 5.408 1.983 1.00 0.00 N ATOM 664 CA TRP A 42 2.212 4.769 2.665 1.00 0.00 C ATOM 665 C TRP A 42 1.380 3.943 1.690 1.00 0.00 C ATOM 666 O TRP A 42 1.069 4.394 0.587 1.00 0.00 O ATOM 667 CB TRP A 42 1.331 5.821 3.341 1.00 0.00 C ATOM 668 CG TRP A 42 0.356 5.240 4.319 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.995 5.439 4.346 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.656 4.366 5.412 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.552 4.742 5.391 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.561 4.075 6.060 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.834 3.800 5.906 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.630 3.244 7.175 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.764 2.975 7.013 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.539 2.703 7.637 1.00 0.00 C ATOM 0 H TRP A 42 3.210 6.408 1.820 1.00 0.00 H new ATOM 0 HA TRP A 42 2.617 4.101 3.425 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.967 6.540 3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.783 6.371 2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.545 6.054 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.544 4.724 5.630 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.783 4.003 5.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.573 3.034 7.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.669 2.533 7.404 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.517 2.054 8.500 1.00 0.00 H new ATOM 687 N PHE A 43 1.022 2.731 2.102 1.00 0.00 N ATOM 688 CA PHE A 43 0.227 1.842 1.264 1.00 0.00 C ATOM 689 C PHE A 43 -0.880 1.175 2.076 1.00 0.00 C ATOM 690 O PHE A 43 -0.732 0.945 3.276 1.00 0.00 O ATOM 691 CB PHE A 43 1.119 0.776 0.624 1.00 0.00 C ATOM 692 CG PHE A 43 1.713 1.200 -0.689 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.007 1.033 -1.869 1.00 0.00 C ATOM 694 CD2 PHE A 43 2.976 1.767 -0.742 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.551 1.421 -3.079 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.525 2.158 -1.949 1.00 0.00 C ATOM 697 CZ PHE A 43 2.811 1.986 -3.118 1.00 0.00 C ATOM 0 H PHE A 43 1.270 2.342 3.012 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.233 2.440 0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.925 0.526 1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.535 -0.132 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.020 0.595 -1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.538 1.905 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.992 1.283 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.511 2.597 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.237 2.293 -4.062 1.00 0.00 H new ATOM 707 N VAL A 44 -1.989 0.867 1.411 1.00 0.00 N ATOM 708 CA VAL A 44 -3.121 0.226 2.069 1.00 0.00 C ATOM 709 C VAL A 44 -3.735 -0.852 1.182 1.00 0.00 C ATOM 710 O VAL A 44 -4.085 -0.596 0.029 1.00 0.00 O ATOM 711 CB VAL A 44 -4.209 1.251 2.440 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.479 0.544 2.888 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.705 2.195 3.521 1.00 0.00 C ATOM 0 H VAL A 44 -2.127 1.051 0.417 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.738 -0.233 2.981 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.444 1.842 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.236 1.285 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.849 -0.087 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.263 -0.073 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.487 2.912 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.441 1.622 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.826 2.728 3.158 1.00 0.00 H new ATOM 723 N LEU A 45 -3.863 -2.056 1.726 1.00 0.00 N ATOM 724 CA LEU A 45 -4.435 -3.174 0.984 1.00 0.00 C ATOM 725 C LEU A 45 -5.918 -3.338 1.304 1.00 0.00 C ATOM 726 O LEU A 45 -6.282 -3.899 2.338 1.00 0.00 O ATOM 727 CB LEU A 45 -3.686 -4.467 1.312 1.00 0.00 C ATOM 728 CG LEU A 45 -3.635 -5.514 0.198 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.981 -6.205 0.053 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.218 -4.873 -1.118 1.00 0.00 C ATOM 0 H LEU A 45 -3.578 -2.284 2.679 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.332 -2.962 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.664 -4.211 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.150 -4.920 2.188 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.891 -6.265 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.925 -6.946 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.240 -6.698 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.745 -5.467 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.187 -5.633 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.938 -4.101 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.230 -4.426 -1.008 1.00 0.00 H new ATOM 742 N SER A 46 -6.769 -2.847 0.409 1.00 0.00 N ATOM 743 CA SER A 46 -8.212 -2.937 0.597 1.00 0.00 C ATOM 744 C SER A 46 -8.921 -3.150 -0.737 1.00 0.00 C ATOM 745 O SER A 46 -8.409 -2.774 -1.792 1.00 0.00 O ATOM 746 CB SER A 46 -8.740 -1.669 1.271 1.00 0.00 C ATOM 747 OG SER A 46 -10.110 -1.805 1.610 1.00 0.00 O ATOM 0 H SER A 46 -6.484 -2.383 -0.453 1.00 0.00 H new ATOM 0 HA SER A 46 -8.417 -3.794 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.159 -1.462 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.610 -0.817 0.603 1.00 0.00 H new ATOM 0 HG SER A 46 -10.424 -0.983 2.041 1.00 0.00 H new ATOM 753 N ASP A 47 -10.102 -3.755 -0.682 1.00 0.00 N ATOM 754 CA ASP A 47 -10.884 -4.018 -1.885 1.00 0.00 C ATOM 755 C ASP A 47 -10.011 -4.630 -2.977 1.00 0.00 C ATOM 756 O ASP A 47 -10.117 -4.265 -4.148 1.00 0.00 O ATOM 757 CB ASP A 47 -11.527 -2.726 -2.393 1.00 0.00 C ATOM 758 CG ASP A 47 -12.652 -2.988 -3.375 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.594 -3.725 -3.016 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.591 -2.456 -4.504 1.00 0.00 O ATOM 0 H ASP A 47 -10.539 -4.073 0.183 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.669 -4.730 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.912 -2.158 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.767 -2.109 -2.872 1.00 0.00 H new ATOM 765 N LEU A 48 -9.149 -5.561 -2.585 1.00 0.00 N ATOM 766 CA LEU A 48 -8.257 -6.223 -3.530 1.00 0.00 C ATOM 767 C LEU A 48 -7.601 -5.210 -4.462 1.00 0.00 C ATOM 768 O LEU A 48 -7.490 -5.442 -5.667 1.00 0.00 O ATOM 769 CB LEU A 48 -9.027 -7.262 -4.347 1.00 0.00 C ATOM 770 CG LEU A 48 -9.765 -8.334 -3.545 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.776 -9.238 -2.825 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.724 -7.693 -2.552 1.00 0.00 C ATOM 0 H LEU A 48 -9.049 -5.875 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.474 -6.725 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.752 -6.740 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.327 -7.758 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.345 -8.943 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.320 -9.995 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.130 -9.725 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.168 -8.643 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.240 -8.472 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.165 -7.059 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.454 -7.089 -3.090 1.00 0.00 H new ATOM 784 N CYS A 49 -7.168 -4.088 -3.898 1.00 0.00 N ATOM 785 CA CYS A 49 -6.522 -3.039 -4.679 1.00 0.00 C ATOM 786 C CYS A 49 -5.443 -2.338 -3.859 1.00 0.00 C ATOM 787 O CYS A 49 -5.342 -2.535 -2.648 1.00 0.00 O ATOM 788 CB CYS A 49 -7.557 -2.022 -5.160 1.00 0.00 C ATOM 789 SG CYS A 49 -8.789 -2.703 -6.294 1.00 0.00 S ATOM 0 H CYS A 49 -7.253 -3.881 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.050 -3.502 -5.545 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.069 -1.603 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.040 -1.199 -5.654 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.591 -3.491 -5.641 1.00 0.00 H new ATOM 795 N LEU A 50 -4.638 -1.520 -4.528 1.00 0.00 N ATOM 796 CA LEU A 50 -3.565 -0.789 -3.862 1.00 0.00 C ATOM 797 C LEU A 50 -3.903 0.694 -3.753 1.00 0.00 C ATOM 798 O LEU A 50 -4.349 1.313 -4.719 1.00 0.00 O ATOM 799 CB LEU A 50 -2.251 -0.970 -4.623 1.00 0.00 C ATOM 800 CG LEU A 50 -1.384 -2.154 -4.193 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.005 -2.065 -4.829 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.271 -2.210 -2.677 1.00 0.00 C ATOM 0 H LEU A 50 -4.708 -1.346 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.454 -1.192 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.480 -1.079 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.664 -0.058 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.861 -3.072 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.598 -2.916 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.104 -2.075 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.480 -1.140 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.651 -3.059 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.817 -1.289 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.264 -2.323 -2.242 1.00 0.00 H new ATOM 814 N PHE A 51 -3.685 1.260 -2.570 1.00 0.00 N ATOM 815 CA PHE A 51 -3.965 2.672 -2.335 1.00 0.00 C ATOM 816 C PHE A 51 -2.894 3.297 -1.446 1.00 0.00 C ATOM 817 O PHE A 51 -2.586 2.783 -0.370 1.00 0.00 O ATOM 818 CB PHE A 51 -5.342 2.839 -1.689 1.00 0.00 C ATOM 819 CG PHE A 51 -6.478 2.452 -2.592 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.753 3.184 -3.735 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.272 1.355 -2.296 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.798 2.829 -4.568 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.317 0.995 -3.125 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.582 1.734 -4.262 1.00 0.00 C ATOM 0 H PHE A 51 -3.316 0.763 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.958 3.184 -3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.386 2.234 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.468 3.878 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.144 4.042 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.071 0.775 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.001 3.408 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.926 0.136 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.400 1.456 -4.910 1.00 0.00 H new ATOM 834 N TYR A 52 -2.330 4.409 -1.903 1.00 0.00 N ATOM 835 CA TYR A 52 -1.291 5.104 -1.152 1.00 0.00 C ATOM 836 C TYR A 52 -1.597 6.596 -1.052 1.00 0.00 C ATOM 837 O TYR A 52 -2.322 7.149 -1.879 1.00 0.00 O ATOM 838 CB TYR A 52 0.072 4.895 -1.812 1.00 0.00 C ATOM 839 CG TYR A 52 0.066 5.139 -3.304 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.170 6.426 -3.818 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.045 4.083 -4.201 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.164 6.654 -5.181 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.050 4.301 -5.565 1.00 0.00 C ATOM 844 CZ TYR A 52 0.054 5.588 -6.050 1.00 0.00 C ATOM 845 OH TYR A 52 0.048 5.810 -7.408 1.00 0.00 O ATOM 0 H TYR A 52 -2.575 4.849 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.267 4.688 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.798 5.562 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.407 3.875 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.257 7.263 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.129 3.074 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.245 7.661 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.135 3.469 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.035 4.955 -7.879 1.00 0.00 H new ATOM 855 N TYR A 53 -1.038 7.240 -0.033 1.00 0.00 N ATOM 856 CA TYR A 53 -1.251 8.667 0.177 1.00 0.00 C ATOM 857 C TYR A 53 0.072 9.385 0.421 1.00 0.00 C ATOM 858 O TYR A 53 1.127 8.756 0.506 1.00 0.00 O ATOM 859 CB TYR A 53 -2.193 8.894 1.361 1.00 0.00 C ATOM 860 CG TYR A 53 -3.396 7.978 1.363 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.246 6.603 1.488 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.682 8.488 1.239 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.342 5.762 1.489 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.784 7.655 1.240 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.609 6.293 1.365 1.00 0.00 C ATOM 866 OH TYR A 53 -6.704 5.459 1.367 1.00 0.00 O ATOM 0 H TYR A 53 -0.435 6.797 0.660 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.705 9.077 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.638 8.753 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.535 9.929 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.255 6.184 1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.823 9.554 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.208 4.695 1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.777 8.068 1.143 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.521 5.992 1.272 1.00 0.00 H new ATOM 876 N ARG A 54 0.008 10.708 0.533 1.00 0.00 N ATOM 877 CA ARG A 54 1.201 11.514 0.766 1.00 0.00 C ATOM 878 C ARG A 54 1.877 11.117 2.076 1.00 0.00 C ATOM 879 O ARG A 54 3.103 11.154 2.189 1.00 0.00 O ATOM 880 CB ARG A 54 0.841 13.000 0.796 1.00 0.00 C ATOM 881 CG ARG A 54 -0.307 13.330 1.737 1.00 0.00 C ATOM 882 CD ARG A 54 -1.119 14.512 1.232 1.00 0.00 C ATOM 883 NE ARG A 54 -1.953 15.091 2.281 1.00 0.00 N ATOM 884 CZ ARG A 54 -2.511 16.294 2.197 1.00 0.00 C ATOM 885 NH1 ARG A 54 -2.325 17.040 1.117 1.00 0.00 N ATOM 886 NH2 ARG A 54 -3.258 16.752 3.194 1.00 0.00 N ATOM 0 H ARG A 54 -0.857 11.244 0.466 1.00 0.00 H new ATOM 0 HA ARG A 54 1.897 11.333 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.720 13.572 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.578 13.322 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.955 12.460 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.087 13.555 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.445 15.275 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.750 14.191 0.403 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.116 14.542 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.753 16.691 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.754 17.963 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.404 16.180 4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.686 17.676 3.128 1.00 0.00 H new ATOM 900 N ASP A 55 1.071 10.739 3.061 1.00 0.00 N ATOM 901 CA ASP A 55 1.591 10.335 4.362 1.00 0.00 C ATOM 902 C ASP A 55 0.551 9.532 5.137 1.00 0.00 C ATOM 903 O ASP A 55 -0.544 9.275 4.640 1.00 0.00 O ATOM 904 CB ASP A 55 2.011 11.564 5.171 1.00 0.00 C ATOM 905 CG ASP A 55 1.045 12.721 5.011 1.00 0.00 C ATOM 906 OD1 ASP A 55 -0.143 12.465 4.724 1.00 0.00 O ATOM 907 OD2 ASP A 55 1.476 13.882 5.173 1.00 0.00 O ATOM 0 H ASP A 55 0.055 10.704 2.984 1.00 0.00 H new ATOM 0 HA ASP A 55 2.463 9.703 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.080 11.295 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.006 11.879 4.857 1.00 0.00 H new ATOM 912 N GLU A 56 0.904 9.138 6.357 1.00 0.00 N ATOM 913 CA GLU A 56 0.001 8.362 7.200 1.00 0.00 C ATOM 914 C GLU A 56 -1.347 9.062 7.341 1.00 0.00 C ATOM 915 O GLU A 56 -2.390 8.414 7.427 1.00 0.00 O ATOM 916 CB GLU A 56 0.621 8.141 8.581 1.00 0.00 C ATOM 917 CG GLU A 56 1.077 9.424 9.256 1.00 0.00 C ATOM 918 CD GLU A 56 1.829 9.168 10.548 1.00 0.00 C ATOM 919 OE1 GLU A 56 2.874 8.485 10.500 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.373 9.650 11.605 1.00 0.00 O ATOM 0 H GLU A 56 1.808 9.343 6.783 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.160 7.395 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.107 7.642 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.473 7.469 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.716 9.982 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.209 10.050 9.463 1.00 0.00 H new ATOM 927 N LYS A 57 -1.318 10.390 7.364 1.00 0.00 N ATOM 928 CA LYS A 57 -2.537 11.180 7.495 1.00 0.00 C ATOM 929 C LYS A 57 -3.606 10.696 6.520 1.00 0.00 C ATOM 930 O LYS A 57 -4.800 10.861 6.764 1.00 0.00 O ATOM 931 CB LYS A 57 -2.238 12.661 7.247 1.00 0.00 C ATOM 932 CG LYS A 57 -1.487 13.329 8.385 1.00 0.00 C ATOM 933 CD LYS A 57 -1.770 14.820 8.441 1.00 0.00 C ATOM 934 CE LYS A 57 -0.802 15.537 9.369 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.248 16.926 9.671 1.00 0.00 N ATOM 0 H LYS A 57 -0.463 10.942 7.294 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.914 11.056 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.654 12.757 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.177 13.190 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.773 12.868 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.416 13.165 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.696 15.243 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.792 14.985 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.707 14.976 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.187 15.565 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.561 17.381 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.314 17.469 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.180 16.899 10.131 1.00 0.00 H new ATOM 949 N GLU A 58 -3.167 10.098 5.417 1.00 0.00 N ATOM 950 CA GLU A 58 -4.088 9.590 4.407 1.00 0.00 C ATOM 951 C GLU A 58 -5.081 10.669 3.984 1.00 0.00 C ATOM 952 O GLU A 58 -6.282 10.419 3.891 1.00 0.00 O ATOM 953 CB GLU A 58 -4.841 8.369 4.939 1.00 0.00 C ATOM 954 CG GLU A 58 -4.107 7.057 4.717 1.00 0.00 C ATOM 955 CD GLU A 58 -4.668 5.926 5.555 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.320 6.213 6.580 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.454 4.752 5.186 1.00 0.00 O ATOM 0 H GLU A 58 -2.181 9.954 5.200 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.504 9.296 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.020 8.500 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.817 8.316 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.165 6.786 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.052 7.191 4.954 1.00 0.00 H new ATOM 964 N GLU A 59 -4.570 11.870 3.730 1.00 0.00 N ATOM 965 CA GLU A 59 -5.412 12.987 3.319 1.00 0.00 C ATOM 966 C GLU A 59 -5.320 13.212 1.812 1.00 0.00 C ATOM 967 O GLU A 59 -4.578 14.076 1.347 1.00 0.00 O ATOM 968 CB GLU A 59 -5.005 14.261 4.062 1.00 0.00 C ATOM 969 CG GLU A 59 -5.717 14.444 5.391 1.00 0.00 C ATOM 970 CD GLU A 59 -7.132 14.965 5.229 1.00 0.00 C ATOM 971 OE1 GLU A 59 -7.291 16.146 4.857 1.00 0.00 O ATOM 972 OE2 GLU A 59 -8.081 14.190 5.473 1.00 0.00 O ATOM 0 H GLU A 59 -3.577 12.094 3.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.444 12.743 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.929 14.242 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.211 15.123 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.743 13.491 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.148 15.136 6.011 1.00 0.00 H new ATOM 979 N GLY A 60 -6.080 12.426 1.055 1.00 0.00 N ATOM 980 CA GLY A 60 -6.070 12.554 -0.390 1.00 0.00 C ATOM 981 C GLY A 60 -5.154 11.545 -1.055 1.00 0.00 C ATOM 982 O GLY A 60 -3.937 11.584 -0.869 1.00 0.00 O ATOM 0 H GLY A 60 -6.702 11.703 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.084 12.426 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.753 13.561 -0.660 1.00 0.00 H new ATOM 986 N ILE A 61 -5.739 10.639 -1.831 1.00 0.00 N ATOM 987 CA ILE A 61 -4.967 9.615 -2.524 1.00 0.00 C ATOM 988 C ILE A 61 -4.263 10.192 -3.747 1.00 0.00 C ATOM 989 O ILE A 61 -4.900 10.769 -4.630 1.00 0.00 O ATOM 990 CB ILE A 61 -5.860 8.441 -2.967 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.423 7.711 -1.745 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.074 7.481 -3.848 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.449 6.655 -2.092 1.00 0.00 C ATOM 0 H ILE A 61 -6.745 10.593 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.222 9.249 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.694 8.836 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.602 7.244 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.877 8.440 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.718 6.657 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.716 8.009 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.223 7.089 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.804 6.179 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.288 7.119 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.994 5.905 -2.739 1.00 0.00 H new ATOM 1005 N LEU A 62 -2.945 10.033 -3.794 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.152 10.536 -4.910 1.00 0.00 C ATOM 1007 C LEU A 62 -2.389 9.704 -6.166 1.00 0.00 C ATOM 1008 O LEU A 62 -2.314 10.212 -7.284 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.665 10.527 -4.551 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.331 10.716 -3.071 1.00 0.00 C ATOM 1011 CD1 LEU A 62 1.168 10.888 -2.880 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.083 11.910 -2.503 1.00 0.00 C ATOM 0 H LEU A 62 -2.403 9.559 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.464 11.561 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.238 9.580 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.170 11.315 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.645 9.823 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.387 11.021 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.686 10.003 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.507 11.764 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.833 12.029 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.800 12.811 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.156 11.747 -2.605 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.678 8.420 -5.973 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.924 7.538 -7.099 1.00 0.00 C ATOM 1026 C GLY A 63 -3.251 6.123 -6.665 1.00 0.00 C ATOM 1027 O GLY A 63 -2.709 5.627 -5.677 1.00 0.00 O ATOM 0 H GLY A 63 -2.746 7.976 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.749 7.933 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.045 7.523 -7.744 1.00 0.00 H new ATOM 1031 N SER A 64 -4.142 5.470 -7.405 1.00 0.00 N ATOM 1032 CA SER A 64 -4.546 4.105 -7.088 1.00 0.00 C ATOM 1033 C SER A 64 -3.903 3.111 -8.051 1.00 0.00 C ATOM 1034 O SER A 64 -3.576 3.455 -9.188 1.00 0.00 O ATOM 1035 CB SER A 64 -6.069 3.975 -7.144 1.00 0.00 C ATOM 1036 OG SER A 64 -6.590 4.579 -8.316 1.00 0.00 O ATOM 0 H SER A 64 -4.598 5.864 -8.228 1.00 0.00 H new ATOM 0 HA SER A 64 -4.207 3.877 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.348 2.922 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.510 4.443 -6.263 1.00 0.00 H new ATOM 0 HG SER A 64 -7.565 4.481 -8.329 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.726 1.879 -7.588 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.124 0.834 -8.408 1.00 0.00 C ATOM 1044 C ILE A 65 -3.968 -0.435 -8.388 1.00 0.00 C ATOM 1045 O ILE A 65 -4.270 -0.977 -7.323 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.698 0.498 -7.933 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.719 1.587 -8.375 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.268 -0.859 -8.470 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.637 1.485 -7.713 1.00 0.00 C ATOM 0 H ILE A 65 -3.991 1.579 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.077 1.219 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.694 0.454 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.592 1.533 -9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.150 2.563 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.258 -1.083 -8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.953 -1.627 -8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.285 -0.841 -9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.279 2.289 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.522 1.570 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.089 0.523 -7.955 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.345 -0.907 -9.571 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.154 -2.116 -9.690 1.00 0.00 C ATOM 1063 C LEU A 66 -4.278 -3.364 -9.640 1.00 0.00 C ATOM 1064 O LEU A 66 -3.550 -3.663 -10.588 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.953 -2.092 -10.995 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.337 -1.446 -10.922 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.196 -2.142 -9.877 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.217 0.039 -10.614 1.00 0.00 C ATOM 0 H LEU A 66 -4.104 -0.472 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.845 -2.146 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.367 -1.564 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.071 -3.118 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.821 -1.557 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.177 -1.669 -9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.310 -3.193 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.717 -2.063 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.212 0.482 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.714 0.172 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.640 0.528 -11.399 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.354 -4.089 -8.530 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.570 -5.307 -8.356 1.00 0.00 C ATOM 1082 C LEU A 67 -4.054 -6.405 -9.298 1.00 0.00 C ATOM 1083 O LEU A 67 -3.264 -7.124 -9.910 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.654 -5.789 -6.907 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.660 -5.158 -5.931 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -3.016 -5.520 -4.498 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.240 -5.597 -6.257 1.00 0.00 C ATOM 0 H LEU A 67 -4.951 -3.855 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.532 -5.079 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.663 -5.600 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.508 -6.869 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.717 -4.074 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.298 -5.062 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.017 -5.155 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.989 -6.603 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.546 -5.138 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.168 -6.682 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.986 -5.286 -7.270 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.383 -6.537 -9.420 1.00 0.00 N ATOM 1100 CA PRO A 68 -6.002 -7.544 -10.287 1.00 0.00 C ATOM 1101 C PRO A 68 -5.387 -7.564 -11.682 1.00 0.00 C ATOM 1102 O PRO A 68 -5.430 -8.580 -12.376 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.466 -7.101 -10.355 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.691 -6.343 -9.093 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.384 -5.715 -8.720 1.00 0.00 C ATOM 0 HA PRO A 68 -5.865 -8.554 -9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.651 -6.477 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.136 -7.958 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.459 -5.582 -9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.040 -7.007 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.337 -4.673 -9.036 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.228 -5.728 -7.641 1.00 0.00 H new ATOM 1113 N SER A 69 -4.813 -6.435 -12.088 1.00 0.00 N ATOM 1114 CA SER A 69 -4.192 -6.323 -13.402 1.00 0.00 C ATOM 1115 C SER A 69 -2.695 -6.606 -13.321 1.00 0.00 C ATOM 1116 O SER A 69 -2.060 -6.946 -14.320 1.00 0.00 O ATOM 1117 CB SER A 69 -4.427 -4.928 -13.983 1.00 0.00 C ATOM 1118 OG SER A 69 -5.789 -4.743 -14.331 1.00 0.00 O ATOM 0 H SER A 69 -4.766 -5.586 -11.525 1.00 0.00 H new ATOM 0 HA SER A 69 -4.650 -7.064 -14.057 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.128 -4.173 -13.256 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.801 -4.787 -14.864 1.00 0.00 H new ATOM 0 HG SER A 69 -5.913 -3.843 -14.698 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.136 -6.463 -12.123 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.713 -6.702 -11.910 1.00 0.00 C ATOM 1126 C PHE A 70 -0.436 -8.189 -11.707 1.00 0.00 C ATOM 1127 O PHE A 70 -1.344 -8.965 -11.410 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.217 -5.909 -10.699 1.00 0.00 C ATOM 1129 CG PHE A 70 0.288 -4.538 -11.047 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.493 -4.378 -11.711 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.442 -3.410 -10.710 1.00 0.00 C ATOM 1132 CE1 PHE A 70 1.961 -3.117 -12.032 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.020 -2.147 -11.028 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.223 -2.001 -11.691 1.00 0.00 C ATOM 0 H PHE A 70 -2.647 -6.183 -11.286 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.177 -6.368 -12.798 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.029 -5.816 -9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.581 -6.468 -10.210 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.074 -5.248 -11.981 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.384 -3.519 -10.192 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.903 -3.005 -12.549 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.558 -1.276 -10.759 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.586 -1.015 -11.942 1.00 0.00 H new ATOM 1144 N GLN A 71 0.824 -8.577 -11.869 1.00 0.00 N ATOM 1145 CA GLN A 71 1.221 -9.971 -11.705 1.00 0.00 C ATOM 1146 C GLN A 71 2.385 -10.094 -10.727 1.00 0.00 C ATOM 1147 O GLN A 71 3.511 -9.701 -11.035 1.00 0.00 O ATOM 1148 CB GLN A 71 1.608 -10.576 -13.056 1.00 0.00 C ATOM 1149 CG GLN A 71 2.621 -11.704 -12.949 1.00 0.00 C ATOM 1150 CD GLN A 71 2.654 -12.577 -14.188 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.105 -12.218 -15.229 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.301 -13.732 -14.081 1.00 0.00 N ATOM 0 H GLN A 71 1.588 -7.947 -12.114 1.00 0.00 H new ATOM 0 HA GLN A 71 0.370 -10.519 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.710 -10.950 -13.548 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.016 -9.791 -13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.612 -11.283 -12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.384 -12.320 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.742 -13.990 -13.198 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.357 -14.361 -14.882 1.00 0.00 H new ATOM 1161 N ILE A 72 2.107 -10.640 -9.549 1.00 0.00 N ATOM 1162 CA ILE A 72 3.131 -10.815 -8.527 1.00 0.00 C ATOM 1163 C ILE A 72 3.983 -12.049 -8.808 1.00 0.00 C ATOM 1164 O ILE A 72 3.471 -13.165 -8.883 1.00 0.00 O ATOM 1165 CB ILE A 72 2.510 -10.943 -7.123 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.230 -10.111 -7.031 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.509 -10.508 -6.061 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.398 -8.686 -7.510 1.00 0.00 C ATOM 0 H ILE A 72 1.180 -10.969 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 72 3.761 -9.926 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 72 2.255 -11.988 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.450 -10.594 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.888 -10.100 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.056 -10.604 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.396 -11.139 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.792 -9.469 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.450 -8.156 -7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.155 -8.186 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.710 -8.688 -8.554 1.00 0.00 H new ATOM 1180 N ALA A 73 5.286 -11.838 -8.961 1.00 0.00 N ATOM 1181 CA ALA A 73 6.210 -12.933 -9.229 1.00 0.00 C ATOM 1182 C ALA A 73 7.566 -12.679 -8.579 1.00 0.00 C ATOM 1183 O ALA A 73 8.054 -11.548 -8.558 1.00 0.00 O ATOM 1184 CB ALA A 73 6.371 -13.133 -10.729 1.00 0.00 C ATOM 0 H ALA A 73 5.725 -10.919 -8.904 1.00 0.00 H new ATOM 0 HA ALA A 73 5.793 -13.842 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.064 -13.954 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.403 -13.369 -11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.762 -12.220 -11.178 1.00 0.00 H new ATOM 1190 N LEU A 74 8.171 -13.737 -8.050 1.00 0.00 N ATOM 1191 CA LEU A 74 9.471 -13.629 -7.398 1.00 0.00 C ATOM 1192 C LEU A 74 10.544 -13.193 -8.392 1.00 0.00 C ATOM 1193 O LEU A 74 10.605 -13.695 -9.515 1.00 0.00 O ATOM 1194 CB LEU A 74 9.860 -14.966 -6.765 1.00 0.00 C ATOM 1195 CG LEU A 74 9.229 -15.274 -5.407 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.837 -14.395 -4.325 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.720 -15.086 -5.464 1.00 0.00 C ATOM 0 H LEU A 74 7.782 -14.680 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 74 9.396 -12.873 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.592 -15.764 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.944 -14.991 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 74 9.436 -16.315 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.376 -14.628 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.910 -14.579 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.662 -13.347 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.288 -15.310 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.492 -14.055 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.297 -15.759 -6.211 1.00 0.00 H new ATOM 1209 N LEU A 75 11.388 -12.258 -7.970 1.00 0.00 N ATOM 1210 CA LEU A 75 12.460 -11.756 -8.822 1.00 0.00 C ATOM 1211 C LEU A 75 13.298 -12.903 -9.377 1.00 0.00 C ATOM 1212 O LEU A 75 13.174 -14.047 -8.937 1.00 0.00 O ATOM 1213 CB LEU A 75 13.352 -10.791 -8.038 1.00 0.00 C ATOM 1214 CG LEU A 75 12.637 -9.631 -7.343 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.610 -8.849 -6.474 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.983 -8.717 -8.369 1.00 0.00 C ATOM 0 H LEU A 75 11.351 -11.833 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 75 12.006 -11.224 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.895 -11.361 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.094 -10.377 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 75 11.857 -10.041 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.084 -8.028 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.032 -9.509 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.412 -8.449 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.479 -7.897 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.745 -8.314 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.256 -9.284 -8.950 1.00 0.00 H new ATOM 1377 N TYR A 85 14.119 -10.705 0.159 1.00 0.00 N ATOM 1378 CA TYR A 85 12.671 -10.679 0.329 1.00 0.00 C ATOM 1379 C TYR A 85 12.044 -9.561 -0.497 1.00 0.00 C ATOM 1380 O TYR A 85 11.317 -8.718 0.028 1.00 0.00 O ATOM 1381 CB TYR A 85 12.313 -10.499 1.806 1.00 0.00 C ATOM 1382 CG TYR A 85 13.114 -11.383 2.735 1.00 0.00 C ATOM 1383 CD1 TYR A 85 14.330 -10.956 3.254 1.00 0.00 C ATOM 1384 CD2 TYR A 85 12.655 -12.644 3.093 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.066 -11.760 4.103 1.00 0.00 C ATOM 1386 CE2 TYR A 85 13.384 -13.454 3.943 1.00 0.00 C ATOM 1387 CZ TYR A 85 14.589 -13.008 4.445 1.00 0.00 C ATOM 1388 OH TYR A 85 15.318 -13.813 5.290 1.00 0.00 O ATOM 0 HA TYR A 85 12.273 -11.631 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.470 -9.457 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.252 -10.710 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 85 14.706 -9.979 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.713 -12.997 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.010 -11.413 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.012 -14.431 4.213 1.00 0.00 H new ATOM 0 HH TYR A 85 14.841 -14.657 5.430 1.00 0.00 H new ATOM 1398 N ALA A 86 12.332 -9.560 -1.795 1.00 0.00 N ATOM 1399 CA ALA A 86 11.796 -8.548 -2.696 1.00 0.00 C ATOM 1400 C ALA A 86 11.047 -9.190 -3.859 1.00 0.00 C ATOM 1401 O ALA A 86 11.387 -10.288 -4.299 1.00 0.00 O ATOM 1402 CB ALA A 86 12.914 -7.657 -3.214 1.00 0.00 C ATOM 0 H ALA A 86 12.934 -10.249 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 86 11.089 -7.936 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.499 -6.906 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.404 -7.163 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.642 -8.263 -3.753 1.00 0.00 H new ATOM 1408 N PHE A 87 10.025 -8.499 -4.353 1.00 0.00 N ATOM 1409 CA PHE A 87 9.226 -9.002 -5.464 1.00 0.00 C ATOM 1410 C PHE A 87 8.889 -7.882 -6.443 1.00 0.00 C ATOM 1411 O PHE A 87 9.063 -6.702 -6.138 1.00 0.00 O ATOM 1412 CB PHE A 87 7.940 -9.646 -4.944 1.00 0.00 C ATOM 1413 CG PHE A 87 7.288 -8.873 -3.834 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.769 -8.959 -2.537 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.195 -8.060 -4.086 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.173 -8.248 -1.513 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.594 -7.347 -3.066 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.083 -7.442 -1.778 1.00 0.00 C ATOM 0 H PHE A 87 9.730 -7.588 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 87 9.813 -9.755 -5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.235 -9.747 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.164 -10.653 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.620 -9.589 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.808 -7.982 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.559 -8.322 -0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.743 -6.716 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.614 -6.887 -0.979 1.00 0.00 H new ATOM 1428 N LYS A 88 8.404 -8.260 -7.621 1.00 0.00 N ATOM 1429 CA LYS A 88 8.040 -7.289 -8.646 1.00 0.00 C ATOM 1430 C LYS A 88 6.684 -7.626 -9.258 1.00 0.00 C ATOM 1431 O LYS A 88 6.274 -8.786 -9.281 1.00 0.00 O ATOM 1432 CB LYS A 88 9.109 -7.247 -9.740 1.00 0.00 C ATOM 1433 CG LYS A 88 9.257 -8.555 -10.496 1.00 0.00 C ATOM 1434 CD LYS A 88 10.200 -8.412 -11.679 1.00 0.00 C ATOM 1435 CE LYS A 88 9.880 -9.420 -12.773 1.00 0.00 C ATOM 1436 NZ LYS A 88 11.084 -9.769 -13.576 1.00 0.00 N ATOM 0 H LYS A 88 8.254 -9.233 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 88 7.972 -6.309 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.863 -6.455 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.067 -6.987 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.632 -9.325 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.280 -8.886 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.129 -7.402 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.228 -8.551 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.468 -10.324 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.112 -9.012 -13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.824 -10.458 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.463 -8.911 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.808 -10.183 -12.954 1.00 0.00 H new ATOM 1450 N ALA A 89 5.993 -6.605 -9.754 1.00 0.00 N ATOM 1451 CA ALA A 89 4.685 -6.794 -10.369 1.00 0.00 C ATOM 1452 C ALA A 89 4.699 -6.364 -11.832 1.00 0.00 C ATOM 1453 O ALA A 89 5.139 -5.263 -12.161 1.00 0.00 O ATOM 1454 CB ALA A 89 3.623 -6.021 -9.600 1.00 0.00 C ATOM 0 H ALA A 89 6.317 -5.638 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 89 4.444 -7.856 -10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.651 -6.171 -10.071 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.587 -6.378 -8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.869 -4.959 -9.607 1.00 0.00 H new ATOM 1460 N ALA A 90 4.216 -7.241 -12.706 1.00 0.00 N ATOM 1461 CA ALA A 90 4.172 -6.951 -14.134 1.00 0.00 C ATOM 1462 C ALA A 90 2.783 -6.484 -14.557 1.00 0.00 C ATOM 1463 O ALA A 90 1.772 -6.978 -14.057 1.00 0.00 O ATOM 1464 CB ALA A 90 4.586 -8.177 -14.934 1.00 0.00 C ATOM 0 H ALA A 90 3.850 -8.158 -12.450 1.00 0.00 H new ATOM 0 HA ALA A 90 4.875 -6.143 -14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.549 -7.946 -15.999 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.601 -8.464 -14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.905 -9.000 -14.717 1.00 0.00 H new ATOM 1470 N HIS A 91 2.741 -5.529 -15.480 1.00 0.00 N ATOM 1471 CA HIS A 91 1.475 -4.995 -15.971 1.00 0.00 C ATOM 1472 C HIS A 91 1.506 -4.829 -17.487 1.00 0.00 C ATOM 1473 O HIS A 91 2.510 -4.418 -18.070 1.00 0.00 O ATOM 1474 CB HIS A 91 1.171 -3.653 -15.305 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.287 -3.309 -15.289 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.932 -2.717 -16.354 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.226 -3.478 -14.329 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.205 -2.535 -16.049 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.409 -2.990 -14.826 1.00 0.00 N ATOM 0 H HIS A 91 3.568 -5.109 -15.903 1.00 0.00 H new ATOM 0 HA HIS A 91 0.687 -5.705 -15.718 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.543 -3.673 -14.280 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.716 -2.866 -15.827 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.073 -3.915 -13.353 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.951 -2.090 -16.690 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.301 -2.980 -14.331 1.00 0.00 H new ATOM 1488 N PRO A 92 0.382 -5.156 -18.142 1.00 0.00 N ATOM 1489 CA PRO A 92 0.256 -5.051 -19.599 1.00 0.00 C ATOM 1490 C PRO A 92 0.123 -3.606 -20.067 1.00 0.00 C ATOM 1491 O PRO A 92 0.821 -3.174 -20.983 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.026 -5.831 -19.901 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.837 -5.723 -18.656 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.852 -5.652 -17.511 1.00 0.00 C ATOM 0 HA PRO A 92 1.137 -5.436 -20.113 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.554 -5.409 -20.756 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.809 -6.871 -20.143 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.469 -4.836 -18.680 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.498 -6.583 -18.547 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.198 -4.980 -16.726 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.702 -6.629 -17.051 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.777 -2.863 -19.430 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.001 -1.466 -19.782 1.00 0.00 C ATOM 1504 C ASN A 93 -0.107 -0.547 -18.956 1.00 0.00 C ATOM 1505 O ASN A 93 -0.286 0.671 -18.952 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.470 -1.094 -19.569 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.372 -1.658 -20.649 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.770 -0.948 -21.574 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.699 -2.940 -20.538 1.00 0.00 N ATOM 0 H ASN A 93 -1.362 -3.205 -18.668 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.750 -1.338 -20.835 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.798 -1.462 -18.597 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.568 -0.009 -19.548 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.303 -3.375 -21.236 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.346 -3.490 -19.755 1.00 0.00 H new ATOM 1516 N MET A 94 0.856 -1.139 -18.257 1.00 0.00 N ATOM 1517 CA MET A 94 1.780 -0.373 -17.428 1.00 0.00 C ATOM 1518 C MET A 94 3.149 -1.044 -17.377 1.00 0.00 C ATOM 1519 O MET A 94 3.383 -2.049 -18.047 1.00 0.00 O ATOM 1520 CB MET A 94 1.221 -0.219 -16.012 1.00 0.00 C ATOM 1521 CG MET A 94 0.295 0.975 -15.851 1.00 0.00 C ATOM 1522 SD MET A 94 -0.054 1.356 -14.123 1.00 0.00 S ATOM 1523 CE MET A 94 -1.180 0.028 -13.705 1.00 0.00 C ATOM 0 H MET A 94 1.017 -2.146 -18.248 1.00 0.00 H new ATOM 0 HA MET A 94 1.896 0.615 -17.874 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.680 -1.126 -15.743 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.050 -0.122 -15.311 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.745 1.846 -16.327 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.642 0.776 -16.371 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.729 0.288 -12.800 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.882 -0.125 -14.524 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.615 -0.889 -13.536 1.00 0.00 H new ATOM 1533 N ARG A 95 4.049 -0.481 -16.578 1.00 0.00 N ATOM 1534 CA ARG A 95 5.395 -1.024 -16.441 1.00 0.00 C ATOM 1535 C ARG A 95 5.466 -2.016 -15.284 1.00 0.00 C ATOM 1536 O ARG A 95 4.461 -2.298 -14.631 1.00 0.00 O ATOM 1537 CB ARG A 95 6.404 0.105 -16.222 1.00 0.00 C ATOM 1538 CG ARG A 95 6.129 0.934 -14.978 1.00 0.00 C ATOM 1539 CD ARG A 95 6.844 0.368 -13.761 1.00 0.00 C ATOM 1540 NE ARG A 95 6.857 1.311 -12.646 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.759 1.284 -11.672 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.717 0.367 -11.676 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.705 2.176 -10.691 1.00 0.00 N ATOM 0 H ARG A 95 3.871 0.351 -16.016 1.00 0.00 H new ATOM 0 HA ARG A 95 5.643 -1.550 -17.363 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.404 -0.322 -16.150 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.399 0.760 -17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.452 1.961 -15.146 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.056 0.964 -14.789 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.354 -0.555 -13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.868 0.110 -14.030 1.00 0.00 H new ATOM 0 HE ARG A 95 6.134 2.030 -12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.762 -0.320 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.409 0.349 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.970 2.883 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.398 2.154 -9.943 1.00 0.00 H new ATOM 1557 N THR A 96 6.661 -2.543 -15.035 1.00 0.00 N ATOM 1558 CA THR A 96 6.863 -3.505 -13.958 1.00 0.00 C ATOM 1559 C THR A 96 7.259 -2.805 -12.663 1.00 0.00 C ATOM 1560 O THR A 96 8.254 -2.081 -12.617 1.00 0.00 O ATOM 1561 CB THR A 96 7.947 -4.537 -14.323 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.638 -5.147 -15.581 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.058 -5.607 -13.248 1.00 0.00 C ATOM 0 H THR A 96 7.504 -2.320 -15.565 1.00 0.00 H new ATOM 0 HA THR A 96 5.914 -4.022 -13.813 1.00 0.00 H new ATOM 0 HB THR A 96 8.903 -4.018 -14.397 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.332 -5.800 -15.807 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.829 -6.325 -13.527 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.321 -5.142 -12.298 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.103 -6.122 -13.147 1.00 0.00 H new ATOM 1571 N TYR A 97 6.475 -3.024 -11.614 1.00 0.00 N ATOM 1572 CA TYR A 97 6.743 -2.413 -10.318 1.00 0.00 C ATOM 1573 C TYR A 97 7.667 -3.293 -9.481 1.00 0.00 C ATOM 1574 O TYR A 97 7.985 -4.419 -9.864 1.00 0.00 O ATOM 1575 CB TYR A 97 5.434 -2.167 -9.565 1.00 0.00 C ATOM 1576 CG TYR A 97 4.657 -0.975 -10.075 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.520 -0.741 -11.438 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.058 -0.083 -9.194 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.812 0.348 -11.908 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.346 1.008 -9.655 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.226 1.219 -11.013 1.00 0.00 C ATOM 1582 OH TYR A 97 2.519 2.304 -11.477 1.00 0.00 O ATOM 0 H TYR A 97 5.648 -3.621 -11.636 1.00 0.00 H new ATOM 0 HA TYR A 97 7.239 -1.458 -10.491 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.809 -3.057 -9.640 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.655 -2.021 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.975 -1.422 -12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.150 -0.245 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.718 0.517 -12.971 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.886 1.691 -8.956 1.00 0.00 H new ATOM 0 HH TYR A 97 2.170 2.816 -10.718 1.00 0.00 H new ATOM 1592 N TYR A 98 8.093 -2.771 -8.336 1.00 0.00 N ATOM 1593 CA TYR A 98 8.981 -3.507 -7.445 1.00 0.00 C ATOM 1594 C TYR A 98 8.726 -3.130 -5.988 1.00 0.00 C ATOM 1595 O TYR A 98 8.665 -1.950 -5.642 1.00 0.00 O ATOM 1596 CB TYR A 98 10.442 -3.232 -7.806 1.00 0.00 C ATOM 1597 CG TYR A 98 10.868 -3.852 -9.117 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.521 -3.267 -10.329 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.617 -5.022 -9.145 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.908 -3.830 -11.530 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.009 -5.591 -10.341 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.652 -4.992 -11.531 1.00 0.00 C ATOM 1603 OH TYR A 98 12.039 -5.556 -12.725 1.00 0.00 O ATOM 0 H TYR A 98 7.838 -1.841 -8.003 1.00 0.00 H new ATOM 0 HA TYR A 98 8.777 -4.571 -7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.599 -2.154 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.082 -3.611 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.939 -2.357 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.898 -5.495 -8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.630 -3.363 -12.463 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.592 -6.500 -10.344 1.00 0.00 H new ATOM 0 HH TYR A 98 12.557 -6.369 -12.550 1.00 0.00 H new ATOM 1613 N PHE A 99 8.579 -4.141 -5.139 1.00 0.00 N ATOM 1614 CA PHE A 99 8.330 -3.918 -3.720 1.00 0.00 C ATOM 1615 C PHE A 99 9.185 -4.849 -2.865 1.00 0.00 C ATOM 1616 O PHE A 99 9.276 -6.047 -3.134 1.00 0.00 O ATOM 1617 CB PHE A 99 6.849 -4.130 -3.400 1.00 0.00 C ATOM 1618 CG PHE A 99 5.924 -3.518 -4.413 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.598 -2.172 -4.348 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.379 -4.287 -5.428 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.747 -1.606 -5.279 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.528 -3.726 -6.361 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.211 -2.384 -6.286 1.00 0.00 C ATOM 0 H PHE A 99 8.628 -5.123 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 99 8.601 -2.888 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.649 -5.200 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.633 -3.706 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.013 -1.559 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.622 -5.337 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.502 -0.556 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.111 -4.337 -7.148 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.545 -1.944 -7.014 1.00 0.00 H new ATOM 1633 N CYS A 100 9.810 -4.289 -1.835 1.00 0.00 N ATOM 1634 CA CYS A 100 10.659 -5.068 -0.940 1.00 0.00 C ATOM 1635 C CYS A 100 10.337 -4.760 0.519 1.00 0.00 C ATOM 1636 O CYS A 100 9.706 -3.749 0.828 1.00 0.00 O ATOM 1637 CB CYS A 100 12.134 -4.778 -1.223 1.00 0.00 C ATOM 1638 SG CYS A 100 12.704 -3.180 -0.598 1.00 0.00 S ATOM 0 H CYS A 100 9.745 -3.299 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 100 10.463 -6.125 -1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.740 -5.567 -0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.301 -4.816 -2.300 1.00 0.00 H new ATOM 0 HG CYS A 100 12.823 -2.345 -1.587 1.00 0.00 H new ATOM 1644 N THR A 101 10.775 -5.640 1.414 1.00 0.00 N ATOM 1645 CA THR A 101 10.532 -5.465 2.840 1.00 0.00 C ATOM 1646 C THR A 101 11.824 -5.600 3.638 1.00 0.00 C ATOM 1647 O THR A 101 12.905 -5.744 3.068 1.00 0.00 O ATOM 1648 CB THR A 101 9.508 -6.489 3.365 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.918 -7.816 3.016 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.125 -6.213 2.794 1.00 0.00 C ATOM 0 H THR A 101 11.300 -6.481 1.176 1.00 0.00 H new ATOM 0 HA THR A 101 10.130 -4.460 2.972 1.00 0.00 H new ATOM 0 HB THR A 101 9.460 -6.398 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.975 -8.365 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.419 -6.949 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.803 -5.214 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.161 -6.279 1.707 1.00 0.00 H new ATOM 1658 N ASP A 102 11.704 -5.552 4.961 1.00 0.00 N ATOM 1659 CA ASP A 102 12.863 -5.671 5.838 1.00 0.00 C ATOM 1660 C ASP A 102 13.124 -7.130 6.199 1.00 0.00 C ATOM 1661 O ASP A 102 14.257 -7.516 6.491 1.00 0.00 O ATOM 1662 CB ASP A 102 12.652 -4.848 7.110 1.00 0.00 C ATOM 1663 CG ASP A 102 13.950 -4.290 7.660 1.00 0.00 C ATOM 1664 OD1 ASP A 102 14.506 -3.360 7.040 1.00 0.00 O ATOM 1665 OD2 ASP A 102 14.411 -4.785 8.711 1.00 0.00 O ATOM 0 H ASP A 102 10.816 -5.432 5.449 1.00 0.00 H new ATOM 0 HA ASP A 102 13.733 -5.286 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.967 -4.027 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.178 -5.471 7.868 1.00 0.00 H new ATOM 1670 N THR A 103 12.069 -7.938 6.177 1.00 0.00 N ATOM 1671 CA THR A 103 12.183 -9.354 6.504 1.00 0.00 C ATOM 1672 C THR A 103 11.166 -10.181 5.726 1.00 0.00 C ATOM 1673 O THR A 103 10.313 -9.637 5.027 1.00 0.00 O ATOM 1674 CB THR A 103 11.984 -9.600 8.011 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.603 -9.860 8.287 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.452 -8.402 8.822 1.00 0.00 C ATOM 0 H THR A 103 11.125 -7.636 5.936 1.00 0.00 H new ATOM 0 HA THR A 103 13.190 -9.664 6.223 1.00 0.00 H new ATOM 0 HB THR A 103 12.580 -10.466 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.485 -10.017 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.301 -8.600 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 103 13.511 -8.226 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.880 -7.521 8.532 1.00 0.00 H new ATOM 1684 N GLY A 104 11.263 -11.501 5.853 1.00 0.00 N ATOM 1685 CA GLY A 104 10.344 -12.383 5.157 1.00 0.00 C ATOM 1686 C GLY A 104 8.896 -12.104 5.506 1.00 0.00 C ATOM 1687 O GLY A 104 8.064 -11.900 4.621 1.00 0.00 O ATOM 0 H GLY A 104 11.961 -11.975 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.483 -12.272 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.581 -13.418 5.404 1.00 0.00 H new ATOM 1691 N LYS A 105 8.591 -12.095 6.799 1.00 0.00 N ATOM 1692 CA LYS A 105 7.234 -11.840 7.264 1.00 0.00 C ATOM 1693 C LYS A 105 6.659 -10.590 6.605 1.00 0.00 C ATOM 1694 O LYS A 105 5.694 -10.667 5.845 1.00 0.00 O ATOM 1695 CB LYS A 105 7.215 -11.680 8.786 1.00 0.00 C ATOM 1696 CG LYS A 105 5.819 -11.531 9.365 1.00 0.00 C ATOM 1697 CD LYS A 105 5.399 -10.072 9.437 1.00 0.00 C ATOM 1698 CE LYS A 105 4.397 -9.835 10.556 1.00 0.00 C ATOM 1699 NZ LYS A 105 4.361 -8.407 10.975 1.00 0.00 N ATOM 0 H LYS A 105 9.267 -12.262 7.544 1.00 0.00 H new ATOM 0 HA LYS A 105 6.616 -12.694 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.697 -12.546 9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.807 -10.806 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.109 -12.085 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.789 -11.969 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.278 -9.447 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.961 -9.771 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.405 -10.142 10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.655 -10.458 11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.379 -8.065 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.744 -8.318 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.935 -7.838 10.320 1.00 0.00 H new ATOM 1713 N GLU A 106 7.259 -9.441 6.900 1.00 0.00 N ATOM 1714 CA GLU A 106 6.806 -8.176 6.334 1.00 0.00 C ATOM 1715 C GLU A 106 6.473 -8.330 4.853 1.00 0.00 C ATOM 1716 O GLU A 106 5.681 -7.567 4.302 1.00 0.00 O ATOM 1717 CB GLU A 106 7.876 -7.097 6.518 1.00 0.00 C ATOM 1718 CG GLU A 106 7.885 -6.480 7.907 1.00 0.00 C ATOM 1719 CD GLU A 106 8.393 -5.051 7.906 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.564 -4.837 7.530 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.618 -4.147 8.283 1.00 0.00 O ATOM 0 H GLU A 106 8.059 -9.360 7.527 1.00 0.00 H new ATOM 0 HA GLU A 106 5.901 -7.875 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.856 -7.530 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.717 -6.310 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.875 -6.503 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.510 -7.084 8.565 1.00 0.00 H new ATOM 1728 N MET A 107 7.085 -9.323 4.216 1.00 0.00 N ATOM 1729 CA MET A 107 6.853 -9.578 2.799 1.00 0.00 C ATOM 1730 C MET A 107 5.694 -10.550 2.604 1.00 0.00 C ATOM 1731 O MET A 107 4.910 -10.414 1.665 1.00 0.00 O ATOM 1732 CB MET A 107 8.119 -10.137 2.146 1.00 0.00 C ATOM 1733 CG MET A 107 7.840 -11.045 0.959 1.00 0.00 C ATOM 1734 SD MET A 107 9.322 -11.409 -0.001 1.00 0.00 S ATOM 1735 CE MET A 107 9.177 -13.185 -0.187 1.00 0.00 C ATOM 0 H MET A 107 7.744 -9.963 4.658 1.00 0.00 H new ATOM 0 HA MET A 107 6.594 -8.632 2.323 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.746 -9.307 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.688 -10.692 2.892 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.404 -11.978 1.315 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.100 -10.574 0.312 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.641 -13.492 -1.124 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.678 -13.680 0.645 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.124 -13.465 -0.195 1.00 0.00 H new ATOM 1745 N GLU A 108 5.593 -11.530 3.496 1.00 0.00 N ATOM 1746 CA GLU A 108 4.530 -12.525 3.420 1.00 0.00 C ATOM 1747 C GLU A 108 3.161 -11.873 3.591 1.00 0.00 C ATOM 1748 O GLU A 108 2.179 -12.292 2.976 1.00 0.00 O ATOM 1749 CB GLU A 108 4.731 -13.602 4.489 1.00 0.00 C ATOM 1750 CG GLU A 108 4.005 -13.309 5.791 1.00 0.00 C ATOM 1751 CD GLU A 108 4.191 -14.406 6.822 1.00 0.00 C ATOM 1752 OE1 GLU A 108 3.785 -15.555 6.546 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.743 -14.116 7.904 1.00 0.00 O ATOM 0 H GLU A 108 6.234 -11.656 4.279 1.00 0.00 H new ATOM 0 HA GLU A 108 4.572 -12.989 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.386 -14.559 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.797 -13.706 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.367 -12.366 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.941 -13.182 5.589 1.00 0.00 H new ATOM 1760 N LEU A 109 3.103 -10.845 4.431 1.00 0.00 N ATOM 1761 CA LEU A 109 1.855 -10.133 4.684 1.00 0.00 C ATOM 1762 C LEU A 109 1.382 -9.401 3.433 1.00 0.00 C ATOM 1763 O LEU A 109 0.186 -9.357 3.142 1.00 0.00 O ATOM 1764 CB LEU A 109 2.035 -9.140 5.833 1.00 0.00 C ATOM 1765 CG LEU A 109 2.553 -9.722 7.149 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.469 -8.688 8.260 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.772 -10.974 7.522 1.00 0.00 C ATOM 0 H LEU A 109 3.905 -10.486 4.948 1.00 0.00 H new ATOM 0 HA LEU A 109 1.097 -10.866 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.724 -8.360 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.076 -8.659 6.024 1.00 0.00 H new ATOM 0 HG LEU A 109 3.599 -9.997 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.842 -9.120 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.073 -7.820 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.432 -8.381 8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.154 -11.375 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.717 -10.724 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.885 -11.721 6.736 1.00 0.00 H new ATOM 1779 N TRP A 110 2.327 -8.829 2.696 1.00 0.00 N ATOM 1780 CA TRP A 110 2.007 -8.100 1.474 1.00 0.00 C ATOM 1781 C TRP A 110 1.671 -9.061 0.339 1.00 0.00 C ATOM 1782 O TRP A 110 0.640 -8.922 -0.319 1.00 0.00 O ATOM 1783 CB TRP A 110 3.178 -7.203 1.069 1.00 0.00 C ATOM 1784 CG TRP A 110 3.162 -5.865 1.745 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.148 -5.328 2.522 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.108 -4.897 1.704 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.770 -4.084 2.968 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.523 -3.796 2.479 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.855 -4.851 1.087 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.729 -2.666 2.652 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.067 -3.729 1.260 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.507 -2.649 2.036 1.00 0.00 C ATOM 0 H TRP A 110 3.321 -8.856 2.923 1.00 0.00 H new ATOM 0 HA TRP A 110 1.133 -7.479 1.670 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.114 -7.710 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.158 -7.057 -0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.087 -5.810 2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.327 -3.474 3.566 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.508 -5.678 0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.065 -1.832 3.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.904 -3.684 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.131 -1.785 2.151 1.00 0.00 H new ATOM 1803 N MET A 111 2.547 -10.035 0.114 1.00 0.00 N ATOM 1804 CA MET A 111 2.341 -11.019 -0.941 1.00 0.00 C ATOM 1805 C MET A 111 1.013 -11.747 -0.755 1.00 0.00 C ATOM 1806 O MET A 111 0.107 -11.627 -1.579 1.00 0.00 O ATOM 1807 CB MET A 111 3.491 -12.029 -0.958 1.00 0.00 C ATOM 1808 CG MET A 111 4.806 -11.444 -1.447 1.00 0.00 C ATOM 1809 SD MET A 111 5.960 -12.708 -2.014 1.00 0.00 S ATOM 1810 CE MET A 111 5.828 -12.516 -3.790 1.00 0.00 C ATOM 0 H MET A 111 3.406 -10.163 0.649 1.00 0.00 H new ATOM 0 HA MET A 111 2.315 -10.492 -1.895 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.631 -12.425 0.048 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.217 -12.869 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.609 -10.746 -2.261 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.267 -10.872 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.272 -13.356 -4.206 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.306 -11.587 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 111 6.826 -12.489 -4.228 1.00 0.00 H new ATOM 1820 N LYS A 112 0.905 -12.501 0.334 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.312 -13.247 0.630 1.00 0.00 C ATOM 1822 C LYS A 112 -1.546 -12.485 0.159 1.00 0.00 C ATOM 1823 O LYS A 112 -2.487 -13.075 -0.372 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.413 -13.524 2.132 1.00 0.00 C ATOM 1825 CG LYS A 112 0.496 -14.645 2.606 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.081 -16.010 2.270 1.00 0.00 C ATOM 1827 CE LYS A 112 0.343 -17.059 3.286 1.00 0.00 C ATOM 1828 NZ LYS A 112 0.149 -18.442 2.769 1.00 0.00 N ATOM 0 H LYS A 112 1.646 -12.611 1.026 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.266 -14.195 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.168 -12.613 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.445 -13.775 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.477 -14.540 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.642 -14.566 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.169 -15.949 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.249 -16.311 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.392 -16.912 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.232 -16.930 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.450 -19.128 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.856 -18.592 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.718 -18.574 1.908 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.535 -11.170 0.355 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.652 -10.327 -0.053 1.00 0.00 C ATOM 1844 C ALA A 113 -2.598 -10.030 -1.548 1.00 0.00 C ATOM 1845 O ALA A 113 -3.513 -10.380 -2.293 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.654 -9.032 0.744 1.00 0.00 C ATOM 0 H ALA A 113 -0.765 -10.666 0.794 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.576 -10.868 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.493 -8.412 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.749 -9.259 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.721 -8.496 0.569 1.00 0.00 H new ATOM 1852 N MET A 114 -1.521 -9.383 -1.979 1.00 0.00 N ATOM 1853 CA MET A 114 -1.348 -9.040 -3.386 1.00 0.00 C ATOM 1854 C MET A 114 -1.712 -10.219 -4.282 1.00 0.00 C ATOM 1855 O MET A 114 -2.550 -10.097 -5.177 1.00 0.00 O ATOM 1856 CB MET A 114 0.094 -8.606 -3.655 1.00 0.00 C ATOM 1857 CG MET A 114 0.456 -7.272 -3.022 1.00 0.00 C ATOM 1858 SD MET A 114 2.047 -6.643 -3.590 1.00 0.00 S ATOM 1859 CE MET A 114 2.513 -5.602 -2.208 1.00 0.00 C ATOM 0 H MET A 114 -0.755 -9.086 -1.375 1.00 0.00 H new ATOM 0 HA MET A 114 -2.017 -8.211 -3.616 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.771 -9.373 -3.279 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.251 -8.542 -4.732 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.321 -6.543 -3.251 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.480 -7.383 -1.938 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.530 -4.560 -2.527 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.790 -5.723 -1.401 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.503 -5.889 -1.854 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.078 -11.360 -4.037 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.335 -12.563 -4.822 1.00 0.00 C ATOM 1871 C LEU A 115 -2.830 -12.857 -4.893 1.00 0.00 C ATOM 1872 O LEU A 115 -3.327 -13.355 -5.903 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.597 -13.758 -4.217 1.00 0.00 C ATOM 1874 CG LEU A 115 0.833 -13.983 -4.710 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.847 -14.234 -6.210 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.712 -12.792 -4.358 1.00 0.00 C ATOM 0 H LEU A 115 -0.382 -11.478 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.968 -12.392 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.571 -13.634 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.176 -14.659 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 115 1.235 -14.865 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.873 -14.392 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.252 -15.119 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.426 -13.372 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.726 -12.970 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.313 -11.894 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.728 -12.658 -3.276 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.542 -12.544 -3.816 1.00 0.00 N ATOM 1889 CA ASP A 116 -4.981 -12.771 -3.758 1.00 0.00 C ATOM 1890 C ASP A 116 -5.737 -11.657 -4.475 1.00 0.00 C ATOM 1891 O ASP A 116 -6.806 -11.884 -5.041 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.445 -12.865 -2.303 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.681 -13.728 -2.145 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.521 -13.738 -3.070 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.809 -14.394 -1.096 1.00 0.00 O ATOM 0 H ASP A 116 -3.146 -12.132 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.196 -13.713 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.639 -13.274 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.654 -11.864 -1.926 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.174 -10.454 -4.446 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.795 -9.305 -5.094 1.00 0.00 C ATOM 1902 C ALA A 117 -5.367 -9.201 -6.555 1.00 0.00 C ATOM 1903 O ALA A 117 -5.919 -8.409 -7.318 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.445 -8.026 -4.348 1.00 0.00 C ATOM 0 H ALA A 117 -4.289 -10.249 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.876 -9.444 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.915 -7.176 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.805 -8.093 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.363 -7.891 -4.345 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.381 -10.006 -6.936 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.880 -10.005 -8.305 1.00 0.00 C ATOM 1912 C ALA A 118 -4.472 -11.160 -9.106 1.00 0.00 C ATOM 1913 O ALA A 118 -4.928 -10.977 -10.236 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.361 -10.080 -8.312 1.00 0.00 C ATOM 0 H ALA A 118 -3.913 -10.667 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.188 -9.073 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.001 -10.078 -9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.952 -9.219 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.040 -10.996 -7.817 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.461 -12.350 -8.516 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.996 -13.537 -9.175 1.00 0.00 C ATOM 1922 C LEU A 119 -6.496 -13.396 -9.415 1.00 0.00 C ATOM 1923 O LEU A 119 -7.039 -13.961 -10.364 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.717 -14.782 -8.332 1.00 0.00 C ATOM 1925 CG LEU A 119 -5.763 -15.122 -7.270 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.827 -16.044 -7.844 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -5.102 -15.758 -6.055 1.00 0.00 C ATOM 0 H LEU A 119 -4.087 -12.519 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.500 -13.642 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.619 -15.636 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.755 -14.653 -7.837 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.246 -14.197 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.563 -16.275 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.321 -15.552 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.361 -16.967 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.861 -15.993 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.592 -16.673 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.378 -15.063 -5.629 1.00 0.00 H new