USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 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 98 HIS : no HE2:sc= -7.81! C(o=-5.6!,f=-13!) USER MOD Set 1.2: A 119 THR OG1 : rot 136:sc= 2.25 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -1 F(o=-2,f=-0.97) USER MOD Set 2.2: A 68 SER OG : rot -142:sc= 0.0292 USER MOD Single : A 23 SER OG : rot 39:sc= -1.2 USER MOD Single : A 55 SER OG : rot -167:sc= -1.03 USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00416) USER MOD Single : A 74 GLN : amide:sc= 1.11 K(o=1.1,f=-0.28) USER MOD Single : A 77 THR OG1 : rot 110:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.455 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -7.57 F(o=-11!,f=-7.6) USER MOD Single : A 93 THR OG1 : rot 174:sc= 1.6 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.951 F(o=-1.7,f=-0.95) USER MOD Single : A 106 ASN : amide:sc= -0.0767 K(o=-0.077,f=-2.2!) USER MOD Single : A 109 ASN :FLIP amide:sc= -3.11! C(o=-7.2!,f=-3.1!) USER MOD Single : A 115 SER OG : rot -124:sc= 1.97 USER MOD Single : A 117 ASN : amide:sc= -0.0746 K(o=-0.075,f=-4.1!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.6) USER MOD Single : A 128 SER OG : rot -88:sc= 0.383 USER MOD Single : A 133 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.9!) USER MOD Single : A 138 GLN : amide:sc= -0.594 K(o=-0.59,f=-5.7!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= -0.0635 (180deg=-0.0635) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 11.734 -1.009 -2.119 1.00 0.00 N ATOM 306 CA SER A 23 11.536 0.382 -2.542 1.00 0.00 C ATOM 307 C SER A 23 10.613 1.166 -1.607 1.00 0.00 C ATOM 308 O SER A 23 9.399 0.977 -1.600 1.00 0.00 O ATOM 309 CB SER A 23 10.971 0.404 -3.948 1.00 0.00 C ATOM 310 OG SER A 23 11.821 -0.284 -4.845 1.00 0.00 O ATOM 0 HA SER A 23 12.510 0.870 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.982 -0.054 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.846 1.435 -4.278 1.00 0.00 H new ATOM 0 HG SER A 23 12.190 -1.077 -4.403 1.00 0.00 H new ATOM 315 N VAL A 24 11.196 2.081 -0.857 1.00 0.00 N ATOM 316 CA VAL A 24 10.467 2.850 0.133 1.00 0.00 C ATOM 317 C VAL A 24 10.377 4.331 -0.267 1.00 0.00 C ATOM 318 O VAL A 24 11.400 4.958 -0.551 1.00 0.00 O ATOM 319 CB VAL A 24 11.158 2.674 1.497 1.00 0.00 C ATOM 320 CG1 VAL A 24 12.622 3.070 1.421 1.00 0.00 C ATOM 321 CG2 VAL A 24 10.450 3.443 2.594 1.00 0.00 C ATOM 0 H VAL A 24 12.188 2.312 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 24 9.442 2.484 0.198 1.00 0.00 H new ATOM 0 HB VAL A 24 11.101 1.616 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.086 2.936 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.131 2.443 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.701 4.115 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.971 3.291 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.445 4.505 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.424 3.087 2.684 1.00 0.00 H new ATOM 331 N PHE A 25 9.149 4.878 -0.317 1.00 0.00 N ATOM 332 CA PHE A 25 8.938 6.262 -0.763 1.00 0.00 C ATOM 333 C PHE A 25 7.435 6.604 -0.806 1.00 0.00 C ATOM 334 O PHE A 25 6.626 5.885 -0.234 1.00 0.00 O ATOM 335 CB PHE A 25 9.541 6.439 -2.163 1.00 0.00 C ATOM 336 CG PHE A 25 10.122 7.803 -2.425 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.355 8.157 -1.902 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.443 8.725 -3.207 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.898 9.403 -2.149 1.00 0.00 C ATOM 340 CE2 PHE A 25 9.980 9.974 -3.456 1.00 0.00 C ATOM 341 CZ PHE A 25 11.210 10.312 -2.929 1.00 0.00 C ATOM 0 H PHE A 25 8.295 4.385 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 25 9.425 6.934 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.322 5.692 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.769 6.238 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.899 7.450 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.483 8.464 -3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.859 9.666 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.438 10.685 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.634 11.286 -3.126 1.00 0.00 H new ATOM 350 N ARG A 26 7.097 7.722 -1.479 1.00 0.00 N ATOM 351 CA ARG A 26 5.705 8.125 -1.784 1.00 0.00 C ATOM 352 C ARG A 26 4.763 7.936 -0.586 1.00 0.00 C ATOM 353 O ARG A 26 4.986 8.510 0.482 1.00 0.00 O ATOM 354 CB ARG A 26 5.185 7.336 -3.003 1.00 0.00 C ATOM 355 CG ARG A 26 4.600 8.198 -4.123 1.00 0.00 C ATOM 356 CD ARG A 26 3.405 9.023 -3.670 1.00 0.00 C ATOM 357 NE ARG A 26 2.201 8.214 -3.466 1.00 0.00 N ATOM 358 CZ ARG A 26 1.279 8.011 -4.408 1.00 0.00 C ATOM 359 NH1 ARG A 26 1.505 8.394 -5.659 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.147 7.384 -4.107 1.00 0.00 N ATOM 0 H ARG A 26 7.791 8.381 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 26 5.717 9.190 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.004 6.743 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.421 6.636 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.373 8.866 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.299 7.555 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.654 9.536 -2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.198 9.793 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 26 2.060 7.782 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.387 8.845 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.797 8.237 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.017 7.057 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.558 7.229 -4.828 1.00 0.00 H new ATOM 707 N SER A 55 -17.915 -11.049 -2.958 1.00 0.00 N ATOM 708 CA SER A 55 -16.560 -10.599 -3.236 1.00 0.00 C ATOM 709 C SER A 55 -16.522 -9.088 -3.281 1.00 0.00 C ATOM 710 O SER A 55 -17.340 -8.456 -3.938 1.00 0.00 O ATOM 711 CB SER A 55 -16.051 -11.137 -4.570 1.00 0.00 C ATOM 712 OG SER A 55 -14.713 -10.731 -4.821 1.00 0.00 O ATOM 0 HA SER A 55 -15.919 -10.976 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.108 -12.226 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.696 -10.785 -5.375 1.00 0.00 H new ATOM 0 HG SER A 55 -14.487 -10.911 -5.757 1.00 0.00 H new ATOM 717 N ALA A 56 -15.555 -8.521 -2.604 1.00 0.00 N ATOM 718 CA ALA A 56 -15.364 -7.085 -2.617 1.00 0.00 C ATOM 719 C ALA A 56 -13.928 -6.801 -3.004 1.00 0.00 C ATOM 720 O ALA A 56 -13.131 -7.736 -3.085 1.00 0.00 O ATOM 721 CB ALA A 56 -15.717 -6.491 -1.268 1.00 0.00 C ATOM 0 H ALA A 56 -14.882 -9.032 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.026 -6.618 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.568 -5.412 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.760 -6.707 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.077 -6.926 -0.500 1.00 0.00 H new ATOM 727 N LEU A 57 -13.577 -5.550 -3.283 1.00 0.00 N ATOM 728 CA LEU A 57 -12.219 -5.285 -3.731 1.00 0.00 C ATOM 729 C LEU A 57 -11.719 -3.886 -3.418 1.00 0.00 C ATOM 730 O LEU A 57 -12.400 -2.885 -3.644 1.00 0.00 O ATOM 731 CB LEU A 57 -12.069 -5.560 -5.239 1.00 0.00 C ATOM 732 CG LEU A 57 -12.814 -4.604 -6.186 1.00 0.00 C ATOM 733 CD1 LEU A 57 -12.300 -4.767 -7.608 1.00 0.00 C ATOM 734 CD2 LEU A 57 -14.317 -4.851 -6.152 1.00 0.00 C ATOM 0 H LEU A 57 -14.187 -4.735 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.596 -5.974 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.008 -5.530 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.414 -6.575 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.626 -3.585 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.835 -4.085 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.234 -4.540 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.462 -5.793 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.815 -4.160 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.524 -5.876 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.689 -4.695 -5.139 1.00 0.00 H new ATOM 745 N LEU A 58 -10.516 -3.844 -2.864 1.00 0.00 N ATOM 746 CA LEU A 58 -9.737 -2.608 -2.822 1.00 0.00 C ATOM 747 C LEU A 58 -8.933 -2.500 -4.101 1.00 0.00 C ATOM 748 O LEU A 58 -8.502 -3.510 -4.636 1.00 0.00 O ATOM 749 CB LEU A 58 -8.751 -2.585 -1.654 1.00 0.00 C ATOM 750 CG LEU A 58 -9.335 -2.673 -0.255 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.812 -4.071 0.028 1.00 0.00 C ATOM 752 CD2 LEU A 58 -8.297 -2.248 0.762 1.00 0.00 C ATOM 0 H LEU A 58 -10.056 -4.648 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.437 -1.781 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.054 -3.413 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.169 -1.666 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.191 -2.002 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.228 -4.117 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.580 -4.347 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.974 -4.764 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.721 -2.313 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.429 -2.904 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.992 -1.221 0.563 1.00 0.00 H new ATOM 763 N VAL A 59 -8.724 -1.291 -4.582 1.00 0.00 N ATOM 764 CA VAL A 59 -7.914 -1.079 -5.768 1.00 0.00 C ATOM 765 C VAL A 59 -6.965 0.104 -5.561 1.00 0.00 C ATOM 766 O VAL A 59 -7.383 1.180 -5.137 1.00 0.00 O ATOM 767 CB VAL A 59 -8.810 -0.842 -7.014 1.00 0.00 C ATOM 768 CG1 VAL A 59 -9.821 0.266 -6.760 1.00 0.00 C ATOM 769 CG2 VAL A 59 -7.974 -0.523 -8.246 1.00 0.00 C ATOM 0 H VAL A 59 -9.104 -0.438 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.321 -1.977 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.354 -1.768 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.434 0.410 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.459 -0.009 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.295 1.192 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.632 -0.363 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.388 0.378 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.303 -1.356 -8.456 1.00 0.00 H new ATOM 779 N VAL A 60 -5.681 -0.101 -5.831 1.00 0.00 N ATOM 780 CA VAL A 60 -4.716 0.971 -5.730 1.00 0.00 C ATOM 781 C VAL A 60 -4.921 1.890 -6.927 1.00 0.00 C ATOM 782 O VAL A 60 -4.783 1.480 -8.090 1.00 0.00 O ATOM 783 CB VAL A 60 -3.253 0.437 -5.635 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.250 -1.026 -5.237 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.470 0.628 -6.906 1.00 0.00 C ATOM 0 H VAL A 60 -5.292 -0.998 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.874 1.529 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.757 1.030 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.222 -1.384 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.733 -1.140 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.792 -1.607 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.461 0.236 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.963 0.096 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.418 1.690 -7.145 1.00 0.00 H new ATOM 795 N LYS A 61 -5.330 3.113 -6.621 1.00 0.00 N ATOM 796 CA LYS A 61 -5.732 4.066 -7.634 1.00 0.00 C ATOM 797 C LYS A 61 -4.510 4.642 -8.322 1.00 0.00 C ATOM 798 O LYS A 61 -4.267 4.396 -9.500 1.00 0.00 O ATOM 799 CB LYS A 61 -6.549 5.196 -7.005 1.00 0.00 C ATOM 800 CG LYS A 61 -7.380 5.976 -8.004 1.00 0.00 C ATOM 801 CD LYS A 61 -8.663 5.234 -8.320 1.00 0.00 C ATOM 802 CE LYS A 61 -9.505 5.976 -9.340 1.00 0.00 C ATOM 803 NZ LYS A 61 -8.935 5.874 -10.710 1.00 0.00 N ATOM 0 H LYS A 61 -5.391 3.467 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.348 3.550 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.209 4.776 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.872 5.881 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.613 6.962 -7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.808 6.132 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.424 4.240 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.238 5.096 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.518 5.573 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.579 7.025 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.558 6.366 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.992 6.312 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.856 4.873 -10.980 1.00 0.00 H new ATOM 813 N ARG A 62 -3.727 5.395 -7.561 1.00 0.00 N ATOM 814 CA ARG A 62 -2.557 6.056 -8.092 1.00 0.00 C ATOM 815 C ARG A 62 -1.412 5.955 -7.104 1.00 0.00 C ATOM 816 O ARG A 62 -1.571 6.191 -5.902 1.00 0.00 O ATOM 817 CB ARG A 62 -2.854 7.521 -8.419 1.00 0.00 C ATOM 818 CG ARG A 62 -3.860 7.694 -9.545 1.00 0.00 C ATOM 819 CD ARG A 62 -4.095 9.160 -9.876 1.00 0.00 C ATOM 820 NE ARG A 62 -2.925 9.773 -10.506 1.00 0.00 N ATOM 821 CZ ARG A 62 -2.928 10.979 -11.078 1.00 0.00 C ATOM 822 NH1 ARG A 62 -4.027 11.726 -11.072 1.00 0.00 N ATOM 823 NH2 ARG A 62 -1.821 11.439 -11.655 1.00 0.00 N ATOM 0 H ARG A 62 -3.888 5.560 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.271 5.558 -9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.232 8.016 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.924 8.021 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.503 7.174 -10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.805 7.230 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.954 9.248 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.342 9.703 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.052 9.245 -10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.877 11.379 -10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.020 12.646 -11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.974 10.871 -11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.819 12.360 -12.093 1.00 0.00 H new ATOM 834 N GLY A 63 -0.268 5.587 -7.619 1.00 0.00 N ATOM 835 CA GLY A 63 0.901 5.400 -6.827 1.00 0.00 C ATOM 836 C GLY A 63 2.036 5.029 -7.730 1.00 0.00 C ATOM 837 O GLY A 63 1.882 5.098 -8.949 1.00 0.00 O ATOM 0 H GLY A 63 -0.129 5.409 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.136 6.312 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.735 4.617 -6.087 1.00 0.00 H new ATOM 841 N PRO A 64 3.178 4.640 -7.183 1.00 0.00 N ATOM 842 CA PRO A 64 4.318 4.222 -7.982 1.00 0.00 C ATOM 843 C PRO A 64 3.974 3.122 -8.973 1.00 0.00 C ATOM 844 O PRO A 64 4.258 3.237 -10.164 1.00 0.00 O ATOM 845 CB PRO A 64 5.333 3.744 -6.946 1.00 0.00 C ATOM 846 CG PRO A 64 4.963 4.470 -5.709 1.00 0.00 C ATOM 847 CD PRO A 64 3.471 4.635 -5.752 1.00 0.00 C ATOM 0 HA PRO A 64 4.693 5.033 -8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.279 2.665 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.353 3.975 -7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.268 3.912 -4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.461 5.439 -5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.961 3.820 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.154 5.561 -5.273 1.00 0.00 H new ATOM 852 N ASN A 65 3.369 2.059 -8.477 1.00 0.00 N ATOM 853 CA ASN A 65 2.857 1.009 -9.345 1.00 0.00 C ATOM 854 C ASN A 65 1.519 1.424 -9.889 1.00 0.00 C ATOM 855 O ASN A 65 1.302 1.476 -11.099 1.00 0.00 O ATOM 856 CB ASN A 65 2.663 -0.281 -8.566 1.00 0.00 C ATOM 857 CG ASN A 65 2.489 -1.499 -9.454 1.00 0.00 C ATOM 858 OD1 ASN A 65 1.693 -2.457 -8.996 1.00 0.00 O flip ATOM 859 ND2 ASN A 65 3.052 -1.576 -10.544 1.00 0.00 N flip ATOM 0 H ASN A 65 3.219 1.898 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 65 3.575 0.849 -10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.522 -0.436 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.788 -0.181 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.656 -0.818 -10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.915 -2.398 -11.132 1.00 0.00 H new ATOM 865 N ALA A 66 0.649 1.761 -8.954 1.00 0.00 N ATOM 866 CA ALA A 66 -0.770 1.993 -9.229 1.00 0.00 C ATOM 867 C ALA A 66 -1.440 0.820 -9.973 1.00 0.00 C ATOM 868 O ALA A 66 -0.780 -0.127 -10.402 1.00 0.00 O ATOM 869 CB ALA A 66 -0.967 3.286 -10.011 1.00 0.00 C ATOM 0 H ALA A 66 0.902 1.884 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.258 2.078 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.029 3.437 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.581 4.124 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.432 3.223 -10.959 1.00 0.00 H new ATOM 875 N GLY A 67 -2.769 0.871 -10.082 1.00 0.00 N ATOM 876 CA GLY A 67 -3.485 -0.087 -10.908 1.00 0.00 C ATOM 877 C GLY A 67 -3.766 -1.433 -10.246 1.00 0.00 C ATOM 878 O GLY A 67 -4.333 -2.320 -10.882 1.00 0.00 O ATOM 0 H GLY A 67 -3.360 1.558 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.434 0.356 -11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.909 -0.260 -11.817 1.00 0.00 H new ATOM 882 N SER A 68 -3.389 -1.608 -8.986 1.00 0.00 N ATOM 883 CA SER A 68 -3.476 -2.935 -8.369 1.00 0.00 C ATOM 884 C SER A 68 -4.754 -3.069 -7.535 1.00 0.00 C ATOM 885 O SER A 68 -5.527 -2.128 -7.462 1.00 0.00 O ATOM 886 CB SER A 68 -2.239 -3.185 -7.519 1.00 0.00 C ATOM 887 OG SER A 68 -1.065 -2.813 -8.219 1.00 0.00 O ATOM 0 H SER A 68 -3.028 -0.871 -8.380 1.00 0.00 H new ATOM 0 HA SER A 68 -3.520 -3.688 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.309 -2.618 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.187 -4.239 -7.246 1.00 0.00 H new ATOM 0 HG SER A 68 -0.351 -3.455 -8.024 1.00 0.00 H new ATOM 892 N ARG A 69 -4.986 -4.230 -6.912 1.00 0.00 N ATOM 893 CA ARG A 69 -6.236 -4.460 -6.174 1.00 0.00 C ATOM 894 C ARG A 69 -6.145 -5.698 -5.275 1.00 0.00 C ATOM 895 O ARG A 69 -5.381 -6.618 -5.565 1.00 0.00 O ATOM 896 CB ARG A 69 -7.407 -4.636 -7.159 1.00 0.00 C ATOM 897 CG ARG A 69 -7.302 -5.885 -8.026 1.00 0.00 C ATOM 898 CD ARG A 69 -6.216 -5.754 -9.082 1.00 0.00 C ATOM 899 NE ARG A 69 -5.471 -6.994 -9.251 1.00 0.00 N ATOM 900 CZ ARG A 69 -4.812 -7.322 -10.357 1.00 0.00 C ATOM 901 NH1 ARG A 69 -4.757 -6.470 -11.376 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.206 -8.498 -10.441 1.00 0.00 N ATOM 0 H ARG A 69 -4.336 -5.016 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.406 -3.588 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.340 -4.674 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.460 -3.760 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.092 -6.748 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.260 -6.071 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.666 -5.469 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.531 -4.954 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.454 -7.652 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.221 -5.564 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.251 -6.722 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.246 -9.150 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.700 -8.751 -11.289 1.00 0.00 H new ATOM 913 N PHE A 70 -6.926 -5.715 -4.187 1.00 0.00 N ATOM 914 CA PHE A 70 -7.029 -6.892 -3.332 1.00 0.00 C ATOM 915 C PHE A 70 -8.287 -7.637 -3.746 1.00 0.00 C ATOM 916 O PHE A 70 -9.368 -7.039 -3.767 1.00 0.00 O ATOM 917 CB PHE A 70 -7.168 -6.565 -1.814 1.00 0.00 C ATOM 918 CG PHE A 70 -6.329 -5.446 -1.247 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.928 -4.371 -2.011 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.971 -5.471 0.091 1.00 0.00 C ATOM 921 CE1 PHE A 70 -5.189 -3.353 -1.464 1.00 0.00 C ATOM 922 CE2 PHE A 70 -5.226 -4.452 0.646 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.834 -3.390 -0.134 1.00 0.00 C ATOM 0 H PHE A 70 -7.494 -4.924 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.110 -7.464 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.214 -6.329 -1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.936 -7.472 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.200 -4.330 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.280 -6.301 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.884 -2.519 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.951 -4.488 1.690 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.250 -2.589 0.294 1.00 0.00 H new ATOM 932 N LEU A 71 -8.159 -8.916 -4.074 1.00 0.00 N ATOM 933 CA LEU A 71 -9.318 -9.718 -4.432 1.00 0.00 C ATOM 934 C LEU A 71 -9.932 -10.308 -3.177 1.00 0.00 C ATOM 935 O LEU A 71 -9.515 -11.346 -2.687 1.00 0.00 O ATOM 936 CB LEU A 71 -8.949 -10.821 -5.439 1.00 0.00 C ATOM 937 CG LEU A 71 -9.961 -11.961 -5.553 1.00 0.00 C ATOM 938 CD1 LEU A 71 -10.228 -12.322 -7.002 1.00 0.00 C ATOM 939 CD2 LEU A 71 -9.465 -13.178 -4.788 1.00 0.00 C ATOM 0 H LEU A 71 -7.270 -9.416 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.051 -9.075 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.825 -10.367 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.983 -11.240 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.901 -11.623 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.952 -13.136 -7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.626 -11.453 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.298 -12.637 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.193 -13.984 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.511 -13.504 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.335 -12.919 -3.737 1.00 0.00 H new ATOM 950 N LEU A 72 -10.915 -9.637 -2.635 1.00 0.00 N ATOM 951 CA LEU A 72 -11.534 -10.122 -1.418 1.00 0.00 C ATOM 952 C LEU A 72 -12.711 -11.014 -1.765 1.00 0.00 C ATOM 953 O LEU A 72 -13.845 -10.773 -1.363 1.00 0.00 O ATOM 954 CB LEU A 72 -11.961 -8.977 -0.488 1.00 0.00 C ATOM 955 CG LEU A 72 -10.874 -7.960 -0.163 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.511 -8.610 -0.128 1.00 0.00 C ATOM 957 CD2 LEU A 72 -10.883 -6.836 -1.161 1.00 0.00 C ATOM 0 H LEU A 72 -11.302 -8.769 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.793 -10.704 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.800 -8.453 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.324 -9.406 0.446 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.086 -7.555 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.756 -7.860 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.498 -9.388 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.294 -9.052 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.099 -6.121 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.705 -7.235 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.851 -6.336 -1.137 1.00 0.00 H new ATOM 968 N ASP A 73 -12.420 -12.016 -2.573 1.00 0.00 N ATOM 969 CA ASP A 73 -13.366 -13.076 -2.864 1.00 0.00 C ATOM 970 C ASP A 73 -13.028 -14.259 -1.984 1.00 0.00 C ATOM 971 O ASP A 73 -13.882 -15.068 -1.629 1.00 0.00 O ATOM 972 CB ASP A 73 -13.279 -13.471 -4.343 1.00 0.00 C ATOM 973 CG ASP A 73 -14.192 -14.622 -4.714 1.00 0.00 C ATOM 974 OD1 ASP A 73 -15.362 -14.373 -5.079 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.742 -15.783 -4.669 1.00 0.00 O ATOM 0 H ASP A 73 -11.522 -12.118 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.383 -12.739 -2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.529 -12.606 -4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.250 -13.743 -4.579 1.00 0.00 H new ATOM 979 N GLN A 74 -11.757 -14.319 -1.619 1.00 0.00 N ATOM 980 CA GLN A 74 -11.257 -15.334 -0.713 1.00 0.00 C ATOM 981 C GLN A 74 -11.192 -14.766 0.699 1.00 0.00 C ATOM 982 O GLN A 74 -11.192 -13.548 0.890 1.00 0.00 O ATOM 983 CB GLN A 74 -9.876 -15.791 -1.171 1.00 0.00 C ATOM 984 CG GLN A 74 -8.943 -14.642 -1.478 1.00 0.00 C ATOM 985 CD GLN A 74 -7.592 -15.099 -1.967 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.395 -15.320 -3.160 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.651 -15.221 -1.050 1.00 0.00 N ATOM 0 H GLN A 74 -11.045 -13.664 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.927 -16.193 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.431 -16.416 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.982 -16.413 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.399 -14.001 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.814 -14.036 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.864 -15.026 -0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.711 -15.510 -1.319 1.00 0.00 H new ATOM 994 N ALA A 75 -11.133 -15.664 1.674 1.00 0.00 N ATOM 995 CA ALA A 75 -11.232 -15.306 3.086 1.00 0.00 C ATOM 996 C ALA A 75 -10.102 -14.401 3.562 1.00 0.00 C ATOM 997 O ALA A 75 -10.203 -13.810 4.633 1.00 0.00 O ATOM 998 CB ALA A 75 -11.263 -16.562 3.939 1.00 0.00 C ATOM 0 H ALA A 75 -11.015 -16.664 1.509 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.159 -14.744 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.337 -16.286 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.125 -17.169 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.349 -17.134 3.777 1.00 0.00 H new ATOM 1004 N ILE A 76 -9.019 -14.308 2.796 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.899 -13.460 3.189 1.00 0.00 C ATOM 1006 C ILE A 76 -6.866 -13.333 2.072 1.00 0.00 C ATOM 1007 O ILE A 76 -6.482 -14.321 1.451 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.266 -13.979 4.514 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -6.089 -13.102 4.981 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.835 -15.437 4.378 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.745 -13.449 4.361 1.00 0.00 C ATOM 0 H ILE A 76 -8.894 -14.802 1.912 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.280 -12.455 3.371 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.037 -13.916 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.319 -12.061 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.004 -13.181 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.396 -15.776 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.703 -16.052 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.098 -15.526 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.980 -12.778 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.485 -14.478 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.805 -13.340 3.278 1.00 0.00 H new ATOM 1022 N THR A 77 -6.436 -12.098 1.822 1.00 0.00 N ATOM 1023 CA THR A 77 -5.495 -11.793 0.749 1.00 0.00 C ATOM 1024 C THR A 77 -4.227 -11.141 1.291 1.00 0.00 C ATOM 1025 O THR A 77 -4.291 -10.358 2.227 1.00 0.00 O ATOM 1026 CB THR A 77 -6.122 -10.819 -0.250 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.635 -9.674 0.443 1.00 0.00 O ATOM 1028 CG2 THR A 77 -7.233 -11.495 -1.017 1.00 0.00 C ATOM 0 H THR A 77 -6.731 -11.282 2.358 1.00 0.00 H new ATOM 0 HA THR A 77 -5.248 -12.738 0.266 1.00 0.00 H new ATOM 0 HB THR A 77 -5.355 -10.499 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.082 -8.892 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.669 -10.789 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.832 -12.351 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.001 -11.834 -0.322 1.00 0.00 H new ATOM 1036 N SER A 78 -3.083 -11.443 0.697 1.00 0.00 N ATOM 1037 CA SER A 78 -1.841 -10.763 1.046 1.00 0.00 C ATOM 1038 C SER A 78 -1.663 -9.530 0.164 1.00 0.00 C ATOM 1039 O SER A 78 -1.649 -9.652 -1.060 1.00 0.00 O ATOM 1040 CB SER A 78 -0.661 -11.714 0.876 1.00 0.00 C ATOM 1041 OG SER A 78 -0.736 -12.778 1.807 1.00 0.00 O ATOM 0 H SER A 78 -2.987 -12.153 -0.029 1.00 0.00 H new ATOM 0 HA SER A 78 -1.884 -10.446 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.652 -12.112 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.273 -11.170 1.013 1.00 0.00 H new ATOM 0 HG SER A 78 0.029 -13.378 1.681 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.489 -8.354 0.787 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.418 -7.082 0.059 1.00 0.00 C ATOM 1048 C ALA A 79 -0.064 -6.404 0.200 1.00 0.00 C ATOM 1049 O ALA A 79 0.374 -6.128 1.314 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.492 -6.146 0.576 1.00 0.00 C ATOM 0 H ALA A 79 -1.395 -8.260 1.798 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.569 -7.305 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.441 -5.200 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.472 -6.598 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.336 -5.966 1.640 1.00 0.00 H new ATOM 1056 N GLY A 80 0.595 -6.119 -0.922 1.00 0.00 N ATOM 1057 CA GLY A 80 1.872 -5.451 -0.878 1.00 0.00 C ATOM 1058 C GLY A 80 2.811 -5.995 -1.923 1.00 0.00 C ATOM 1059 O GLY A 80 2.397 -6.328 -3.031 1.00 0.00 O ATOM 0 H GLY A 80 0.261 -6.342 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.731 -4.382 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.315 -5.573 0.111 1.00 0.00 H new ATOM 1063 N ARG A 81 4.070 -6.102 -1.566 1.00 0.00 N ATOM 1064 CA ARG A 81 5.060 -6.713 -2.423 1.00 0.00 C ATOM 1065 C ARG A 81 4.834 -8.207 -2.494 1.00 0.00 C ATOM 1066 O ARG A 81 5.114 -8.946 -1.552 1.00 0.00 O ATOM 1067 CB ARG A 81 6.452 -6.369 -1.915 1.00 0.00 C ATOM 1068 CG ARG A 81 7.538 -7.368 -2.291 1.00 0.00 C ATOM 1069 CD ARG A 81 7.877 -8.285 -1.126 1.00 0.00 C ATOM 1070 NE ARG A 81 9.241 -8.068 -0.652 1.00 0.00 N ATOM 1071 CZ ARG A 81 9.995 -9.004 -0.071 1.00 0.00 C ATOM 1072 NH1 ARG A 81 9.494 -10.210 0.182 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.254 -8.733 0.255 1.00 0.00 N ATOM 0 H ARG A 81 4.437 -5.768 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 81 4.967 -6.323 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.731 -5.389 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.416 -6.286 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.207 -7.965 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.433 -6.833 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.176 -8.112 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.759 -9.324 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 81 9.645 -7.139 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.529 -10.424 -0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.075 -10.921 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.644 -7.810 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.831 -9.447 0.699 1.00 0.00 H new ATOM 1084 N HIS A 82 4.295 -8.659 -3.603 1.00 0.00 N ATOM 1085 CA HIS A 82 3.913 -10.040 -3.702 1.00 0.00 C ATOM 1086 C HIS A 82 4.301 -10.646 -5.023 1.00 0.00 C ATOM 1087 O HIS A 82 3.743 -10.308 -6.063 1.00 0.00 O ATOM 1088 CB HIS A 82 2.420 -10.189 -3.473 1.00 0.00 C ATOM 1089 CG HIS A 82 2.089 -9.938 -2.066 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.143 -9.182 -1.499 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.833 -10.460 -1.051 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.325 -9.256 -0.146 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.351 -10.039 0.094 1.00 0.00 N flip ATOM 0 H HIS A 82 4.115 -8.097 -4.435 1.00 0.00 H new ATOM 0 HA HIS A 82 4.454 -10.582 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.877 -9.492 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.101 -11.193 -3.754 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.421 -8.650 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.683 -11.115 -1.170 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.726 -8.755 0.600 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.137 -12.265 -3.858 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.382 -11.728 -4.385 1.00 0.00 C ATOM 1135 C ASP A 86 -3.190 -10.288 -4.852 1.00 0.00 C ATOM 1136 O ASP A 86 -3.341 -9.975 -6.032 1.00 0.00 O ATOM 1137 CB ASP A 86 -4.448 -11.798 -3.289 1.00 0.00 C ATOM 1138 CG ASP A 86 -4.304 -13.066 -2.472 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -4.752 -14.129 -2.930 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -3.700 -13.001 -1.380 1.00 0.00 O ATOM 0 HA ASP A 86 -3.700 -12.317 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.362 -10.929 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.440 -11.762 -3.739 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.835 -9.424 -3.913 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.670 -8.003 -4.186 1.00 0.00 C ATOM 1146 C ILE A 87 -1.177 -7.620 -4.182 1.00 0.00 C ATOM 1147 O ILE A 87 -0.564 -7.424 -3.131 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.519 -7.165 -3.178 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.904 -5.804 -2.851 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.801 -7.942 -1.910 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -3.127 -4.779 -3.925 1.00 0.00 C ATOM 0 H ILE A 87 -2.654 -9.686 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.043 -7.775 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.464 -6.966 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.326 -5.438 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.833 -5.926 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.394 -7.328 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.353 -8.849 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.860 -8.208 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.666 -3.837 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.681 -5.126 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.197 -4.630 -4.069 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.593 -7.577 -5.380 1.00 0.00 N ATOM 1163 CA PHE A 88 0.815 -7.205 -5.562 1.00 0.00 C ATOM 1164 C PHE A 88 0.952 -5.767 -6.033 1.00 0.00 C ATOM 1165 O PHE A 88 0.301 -5.347 -6.988 1.00 0.00 O ATOM 1166 CB PHE A 88 1.514 -8.115 -6.579 1.00 0.00 C ATOM 1167 CG PHE A 88 0.600 -8.980 -7.408 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.336 -8.418 -8.267 1.00 0.00 C ATOM 1169 CD2 PHE A 88 0.689 -10.363 -7.330 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -1.166 -9.220 -9.027 1.00 0.00 C ATOM 1171 CE2 PHE A 88 -0.140 -11.168 -8.090 1.00 0.00 C ATOM 1172 CZ PHE A 88 -1.069 -10.595 -8.937 1.00 0.00 C ATOM 0 H PHE A 88 -1.078 -7.798 -6.250 1.00 0.00 H new ATOM 0 HA PHE A 88 1.289 -7.319 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.106 -7.493 -7.251 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.211 -8.760 -6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.416 -7.344 -8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.413 -10.815 -6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.890 -8.772 -9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.061 -12.243 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.719 -11.222 -9.529 1.00 0.00 H new ATOM 1181 N LEU A 89 1.813 -5.025 -5.360 1.00 0.00 N ATOM 1182 CA LEU A 89 2.088 -3.641 -5.713 1.00 0.00 C ATOM 1183 C LEU A 89 3.527 -3.475 -6.149 1.00 0.00 C ATOM 1184 O LEU A 89 4.380 -3.084 -5.348 1.00 0.00 O ATOM 1185 CB LEU A 89 1.796 -2.727 -4.528 1.00 0.00 C ATOM 1186 CG LEU A 89 0.401 -2.136 -4.507 1.00 0.00 C ATOM 1187 CD1 LEU A 89 0.239 -1.128 -5.627 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.621 -3.223 -4.644 1.00 0.00 C ATOM 0 H LEU A 89 2.341 -5.362 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 89 1.439 -3.366 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.950 -3.289 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.520 -1.912 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 89 0.252 -1.628 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.768 -0.712 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.967 -0.326 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.402 -1.620 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.620 -2.787 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.469 -3.748 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.518 -3.926 -3.817 1.00 0.00 H new ATOM 1199 N ASP A 90 3.796 -3.826 -7.409 1.00 0.00 N ATOM 1200 CA ASP A 90 5.135 -3.707 -8.002 1.00 0.00 C ATOM 1201 C ASP A 90 6.084 -4.741 -7.393 1.00 0.00 C ATOM 1202 O ASP A 90 7.189 -4.959 -7.880 1.00 0.00 O ATOM 1203 CB ASP A 90 5.670 -2.277 -7.819 1.00 0.00 C ATOM 1204 CG ASP A 90 7.012 -2.042 -8.475 1.00 0.00 C ATOM 1205 OD1 ASP A 90 7.089 -2.085 -9.721 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.988 -1.772 -7.749 1.00 0.00 O ATOM 0 H ASP A 90 3.095 -4.200 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 90 5.069 -3.908 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.947 -1.573 -8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.754 -2.063 -6.753 1.00 0.00 H new ATOM 1210 N ASP A 91 5.590 -5.379 -6.326 1.00 0.00 N ATOM 1211 CA ASP A 91 6.279 -6.423 -5.562 1.00 0.00 C ATOM 1212 C ASP A 91 7.753 -6.117 -5.323 1.00 0.00 C ATOM 1213 O ASP A 91 8.582 -7.019 -5.219 1.00 0.00 O ATOM 1214 CB ASP A 91 6.089 -7.813 -6.194 1.00 0.00 C ATOM 1215 CG ASP A 91 6.784 -8.012 -7.533 1.00 0.00 C ATOM 1216 OD1 ASP A 91 6.233 -7.580 -8.568 1.00 0.00 O ATOM 1217 OD2 ASP A 91 7.866 -8.642 -7.559 1.00 0.00 O ATOM 0 H ASP A 91 4.662 -5.173 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 91 5.806 -6.435 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.456 -8.566 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.022 -7.993 -6.325 1.00 0.00 H new ATOM 1221 N VAL A 92 8.057 -4.842 -5.175 1.00 0.00 N ATOM 1222 CA VAL A 92 9.425 -4.401 -4.977 1.00 0.00 C ATOM 1223 C VAL A 92 9.503 -3.297 -3.917 1.00 0.00 C ATOM 1224 O VAL A 92 10.578 -2.966 -3.436 1.00 0.00 O ATOM 1225 CB VAL A 92 10.005 -3.918 -6.329 1.00 0.00 C ATOM 1226 CG1 VAL A 92 11.232 -3.030 -6.160 1.00 0.00 C ATOM 1227 CG2 VAL A 92 10.361 -5.109 -7.209 1.00 0.00 C ATOM 0 H VAL A 92 7.370 -4.088 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 92 10.020 -5.238 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 92 9.228 -3.320 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.596 -2.721 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.965 -2.148 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 92 12.014 -3.585 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.767 -4.753 -8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.105 -5.725 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.466 -5.702 -7.398 1.00 0.00 H new ATOM 1237 N THR A 93 8.354 -2.762 -3.512 1.00 0.00 N ATOM 1238 CA THR A 93 8.335 -1.611 -2.611 1.00 0.00 C ATOM 1239 C THR A 93 7.988 -1.993 -1.161 1.00 0.00 C ATOM 1240 O THR A 93 8.489 -1.392 -0.211 1.00 0.00 O ATOM 1241 CB THR A 93 7.306 -0.567 -3.083 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.992 -1.087 -2.881 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.469 -0.234 -4.565 1.00 0.00 C ATOM 0 H THR A 93 7.433 -3.102 -3.789 1.00 0.00 H new ATOM 0 HA THR A 93 9.345 -1.201 -2.633 1.00 0.00 H new ATOM 0 HB THR A 93 7.467 0.344 -2.506 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.331 -0.392 -3.081 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.723 0.506 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.467 0.168 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.333 -1.138 -5.158 1.00 0.00 H new ATOM 1251 N VAL A 94 7.137 -2.996 -0.994 1.00 0.00 N ATOM 1252 CA VAL A 94 6.571 -3.317 0.315 1.00 0.00 C ATOM 1253 C VAL A 94 7.327 -4.469 0.982 1.00 0.00 C ATOM 1254 O VAL A 94 7.862 -5.339 0.299 1.00 0.00 O ATOM 1255 CB VAL A 94 5.082 -3.713 0.177 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.362 -3.646 1.512 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.375 -2.848 -0.860 1.00 0.00 C ATOM 0 H VAL A 94 6.821 -3.605 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 94 6.663 -2.425 0.935 1.00 0.00 H new ATOM 0 HB VAL A 94 5.053 -4.747 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.318 -3.931 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.837 -4.330 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.413 -2.630 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.330 -3.150 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.430 -1.802 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.859 -2.973 -1.829 1.00 0.00 H new ATOM 1267 N SER A 95 7.366 -4.467 2.314 1.00 0.00 N ATOM 1268 CA SER A 95 7.971 -5.559 3.073 1.00 0.00 C ATOM 1269 C SER A 95 7.041 -6.770 3.041 1.00 0.00 C ATOM 1270 O SER A 95 6.345 -7.063 4.013 1.00 0.00 O ATOM 1271 CB SER A 95 8.244 -5.110 4.514 1.00 0.00 C ATOM 1272 OG SER A 95 9.167 -5.971 5.164 1.00 0.00 O ATOM 0 H SER A 95 6.984 -3.718 2.891 1.00 0.00 H new ATOM 0 HA SER A 95 8.924 -5.838 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.635 -4.093 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.308 -5.090 5.073 1.00 0.00 H new ATOM 0 HG SER A 95 9.320 -5.656 6.079 1.00 0.00 H new ATOM 1277 N ARG A 96 7.054 -7.460 1.903 1.00 0.00 N ATOM 1278 CA ARG A 96 6.068 -8.494 1.574 1.00 0.00 C ATOM 1279 C ARG A 96 4.654 -7.924 1.569 1.00 0.00 C ATOM 1280 O ARG A 96 4.081 -7.693 0.520 1.00 0.00 O ATOM 1281 CB ARG A 96 6.133 -9.718 2.494 1.00 0.00 C ATOM 1282 CG ARG A 96 5.631 -10.977 1.795 1.00 0.00 C ATOM 1283 CD ARG A 96 4.294 -11.486 2.317 1.00 0.00 C ATOM 1284 NE ARG A 96 3.665 -12.397 1.366 1.00 0.00 N ATOM 1285 CZ ARG A 96 2.885 -13.425 1.705 1.00 0.00 C ATOM 1286 NH1 ARG A 96 2.714 -13.745 2.981 1.00 0.00 N ATOM 1287 NH2 ARG A 96 2.312 -14.162 0.758 1.00 0.00 N ATOM 0 H ARG A 96 7.754 -7.318 1.175 1.00 0.00 H new ATOM 0 HA ARG A 96 6.327 -8.836 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.160 -9.871 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.535 -9.534 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.539 -10.775 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.377 -11.764 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.443 -11.996 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.631 -10.642 2.509 1.00 0.00 H new ATOM 0 HE ARG A 96 3.833 -12.237 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.180 -13.204 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.116 -14.532 3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.469 -13.941 -0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.715 -14.948 1.015 1.00 0.00 H new ATOM 1298 N ARG A 97 4.084 -7.684 2.724 1.00 0.00 N ATOM 1299 CA ARG A 97 2.703 -7.247 2.778 1.00 0.00 C ATOM 1300 C ARG A 97 2.523 -6.115 3.773 1.00 0.00 C ATOM 1301 O ARG A 97 3.053 -6.147 4.880 1.00 0.00 O ATOM 1302 CB ARG A 97 1.794 -8.438 3.128 1.00 0.00 C ATOM 1303 CG ARG A 97 2.067 -9.032 4.501 1.00 0.00 C ATOM 1304 CD ARG A 97 2.041 -10.556 4.499 1.00 0.00 C ATOM 1305 NE ARG A 97 0.738 -11.120 4.146 1.00 0.00 N ATOM 1306 CZ ARG A 97 -0.111 -11.636 5.034 1.00 0.00 C ATOM 1307 NH1 ARG A 97 0.158 -11.574 6.334 1.00 0.00 N ATOM 1308 NH2 ARG A 97 -1.224 -12.227 4.623 1.00 0.00 N ATOM 0 H ARG A 97 4.543 -7.781 3.630 1.00 0.00 H new ATOM 0 HA ARG A 97 2.421 -6.865 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.754 -8.116 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.921 -9.215 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.040 -8.690 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.324 -8.661 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.789 -10.923 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.328 -10.917 5.487 1.00 0.00 H new ATOM 0 HE ARG A 97 0.464 -11.118 3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.018 -11.130 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.495 -11.971 7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.431 -12.287 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.873 -12.622 5.304 1.00 0.00 H new ATOM 1319 N HIS A 98 1.784 -5.102 3.341 1.00 0.00 N ATOM 1320 CA HIS A 98 1.403 -4.004 4.215 1.00 0.00 C ATOM 1321 C HIS A 98 0.382 -4.523 5.195 1.00 0.00 C ATOM 1322 O HIS A 98 0.437 -4.264 6.394 1.00 0.00 O ATOM 1323 CB HIS A 98 0.818 -2.833 3.390 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.576 -2.400 3.786 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -0.818 -1.471 4.769 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.807 -2.774 3.321 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.118 -1.289 4.891 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.738 -2.061 4.027 1.00 0.00 N ATOM 0 H HIS A 98 1.436 -5.019 2.386 1.00 0.00 H new ATOM 0 HA HIS A 98 2.276 -3.627 4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.486 -1.977 3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.807 -3.120 2.339 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.103 -0.996 5.319 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.007 -3.496 2.543 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.595 -0.615 5.587 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.555 -5.249 4.632 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.637 -5.825 5.366 1.00 0.00 C ATOM 1338 C ALA A 99 -2.210 -6.959 4.557 1.00 0.00 C ATOM 1339 O ALA A 99 -1.725 -7.264 3.463 1.00 0.00 O ATOM 1340 CB ALA A 99 -2.708 -4.788 5.664 1.00 0.00 C ATOM 0 H ALA A 99 -0.580 -5.455 3.633 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.270 -6.197 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.520 -5.253 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.277 -3.979 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.096 -4.387 4.728 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.216 -7.575 5.100 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.912 -8.649 4.447 1.00 0.00 C ATOM 1348 C GLU A 100 -5.399 -8.453 4.674 1.00 0.00 C ATOM 1349 O GLU A 100 -5.843 -8.280 5.814 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.401 -9.983 5.019 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.428 -10.010 6.543 1.00 0.00 C ATOM 1352 CD GLU A 100 -3.427 -11.405 7.128 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -2.345 -12.018 7.226 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -4.506 -11.879 7.525 1.00 0.00 O ATOM 0 H GLU A 100 -3.584 -7.344 6.023 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.732 -8.660 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.012 -10.799 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.382 -10.157 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.563 -9.466 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.315 -9.481 6.891 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.159 -8.406 3.586 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.580 -8.173 3.691 1.00 0.00 C ATOM 1361 C PHE A 101 -8.252 -9.454 4.035 1.00 0.00 C ATOM 1362 O PHE A 101 -8.614 -10.256 3.171 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.175 -7.546 2.438 1.00 0.00 C ATOM 1364 CG PHE A 101 -8.951 -6.296 2.722 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -8.305 -5.146 3.121 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -10.321 -6.269 2.594 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -9.016 -3.994 3.395 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -11.037 -5.120 2.864 1.00 0.00 C ATOM 1369 CZ PHE A 101 -10.383 -3.980 3.265 1.00 0.00 C ATOM 0 H PHE A 101 -5.813 -8.526 2.634 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.749 -7.444 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.373 -7.318 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.828 -8.270 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.230 -5.146 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.844 -7.160 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.496 -3.102 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.112 -5.117 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 101 -10.940 -3.079 3.476 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.374 -9.651 5.323 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.939 -10.856 5.833 1.00 0.00 C ATOM 1380 C ARG A 102 -10.413 -10.663 6.080 1.00 0.00 C ATOM 1381 O ARG A 102 -10.871 -9.551 6.340 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.258 -11.266 7.126 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.313 -10.201 8.201 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.795 -10.743 9.509 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.536 -11.448 9.332 1.00 0.00 N ATOM 1386 CZ ARG A 102 -6.080 -12.362 10.186 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -6.805 -12.696 11.252 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.920 -12.961 9.956 1.00 0.00 N ATOM 0 H ARG A 102 -8.085 -8.981 6.036 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.790 -11.645 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.727 -12.175 7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.216 -11.508 6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.719 -9.339 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.339 -9.854 8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.658 -9.924 10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.533 -11.418 9.942 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.972 -11.231 8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.709 -12.252 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.456 -13.396 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.378 -12.721 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.569 -13.661 10.609 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.146 -11.737 5.991 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.553 -11.703 6.266 1.00 0.00 C ATOM 1401 C LEU A 103 -12.778 -11.964 7.753 1.00 0.00 C ATOM 1402 O LEU A 103 -12.620 -13.089 8.230 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.261 -12.734 5.379 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.797 -12.716 5.407 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -15.360 -13.499 4.236 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.318 -13.285 6.705 1.00 0.00 C ATOM 0 H LEU A 103 -10.787 -12.655 5.727 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.973 -10.724 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.936 -12.581 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.925 -13.728 5.675 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.122 -11.679 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.449 -13.475 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.018 -13.053 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -15.018 -14.532 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.408 -13.262 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.978 -14.315 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.945 -12.690 7.539 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.118 -10.909 8.474 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.437 -10.998 9.890 1.00 0.00 C ATOM 1419 C GLU A 104 -14.894 -10.619 10.091 1.00 0.00 C ATOM 1420 O GLU A 104 -15.355 -9.643 9.511 1.00 0.00 O ATOM 1421 CB GLU A 104 -12.534 -10.070 10.712 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.064 -10.467 10.705 1.00 0.00 C ATOM 1423 CD GLU A 104 -10.767 -11.701 11.545 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -11.705 -12.268 12.142 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -9.582 -12.101 11.622 1.00 0.00 O ATOM 0 H GLU A 104 -13.181 -9.965 8.094 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.268 -12.020 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.627 -9.055 10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.890 -10.053 11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.750 -10.652 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.468 -9.633 11.075 1.00 0.00 H new ATOM 1430 N ASN A 105 -15.610 -11.414 10.879 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.044 -11.219 11.150 1.00 0.00 C ATOM 1432 C ASN A 105 -17.838 -11.001 9.851 1.00 0.00 C ATOM 1433 O ASN A 105 -18.841 -10.293 9.818 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.277 -10.101 12.202 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.448 -8.683 11.661 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -16.350 -7.975 11.459 1.00 0.00 O flip ATOM 1437 ND2 ASN A 105 -18.569 -8.219 11.447 1.00 0.00 N flip ATOM 0 H ASN A 105 -15.213 -12.223 11.357 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.431 -12.137 11.592 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.166 -10.356 12.780 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.435 -10.103 12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.398 -8.790 11.613 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.669 -7.263 11.104 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.376 -11.667 8.787 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.053 -11.677 7.480 1.00 0.00 C ATOM 1445 C ASN A 106 -17.854 -10.374 6.703 1.00 0.00 C ATOM 1446 O ASN A 106 -18.629 -10.058 5.799 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.547 -11.992 7.626 1.00 0.00 C ATOM 1448 CG ASN A 106 -19.804 -13.419 8.086 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -18.967 -14.033 8.749 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -20.968 -13.952 7.753 1.00 0.00 N ATOM 0 H ASN A 106 -16.518 -12.218 8.806 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.585 -12.473 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -19.992 -11.299 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.044 -11.828 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.197 -14.902 8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -21.637 -13.413 7.203 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.804 -9.636 7.037 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.429 -8.451 6.286 1.00 0.00 C ATOM 1458 C GLU A 107 -14.917 -8.407 6.104 1.00 0.00 C ATOM 1459 O GLU A 107 -14.163 -8.790 6.998 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.951 -7.192 6.979 1.00 0.00 C ATOM 1461 CG GLU A 107 -16.663 -7.122 8.464 1.00 0.00 C ATOM 1462 CD GLU A 107 -17.406 -5.993 9.147 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -18.645 -5.915 9.003 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -16.756 -5.176 9.832 1.00 0.00 O ATOM 0 H GLU A 107 -16.195 -9.841 7.829 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.885 -8.493 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.512 -6.319 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -18.029 -7.131 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.939 -8.068 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.592 -6.992 8.617 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.469 -7.957 4.939 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.049 -7.965 4.627 1.00 0.00 C ATOM 1471 C PHE A 108 -12.398 -6.711 5.196 1.00 0.00 C ATOM 1472 O PHE A 108 -12.962 -5.618 5.106 1.00 0.00 O ATOM 1473 CB PHE A 108 -12.817 -8.072 3.108 1.00 0.00 C ATOM 1474 CG PHE A 108 -13.766 -9.015 2.423 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -13.552 -10.385 2.449 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -14.877 -8.532 1.750 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -14.426 -11.250 1.822 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -15.753 -9.393 1.122 1.00 0.00 C ATOM 1479 CZ PHE A 108 -15.527 -10.753 1.160 1.00 0.00 C ATOM 0 H PHE A 108 -15.065 -7.585 4.200 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.589 -8.840 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.916 -7.082 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.794 -8.403 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.690 -10.780 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.059 -7.468 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -14.247 -12.315 1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.615 -9.003 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 108 -16.213 -11.428 0.671 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.218 -6.873 5.787 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.561 -5.795 6.545 1.00 0.00 C ATOM 1490 C ASN A 109 -9.061 -5.822 6.291 1.00 0.00 C ATOM 1491 O ASN A 109 -8.532 -6.857 5.915 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.764 -5.965 8.068 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.123 -5.551 8.614 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -13.181 -5.743 7.855 1.00 0.00 O flip ATOM 1495 ND2 ASN A 109 -12.217 -5.076 9.743 1.00 0.00 N flip ATOM 0 H ASN A 109 -10.688 -7.744 5.759 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.006 -4.857 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.597 -7.012 8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.997 -5.386 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.380 -4.938 10.310 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -13.132 -4.820 10.114 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.360 -4.720 6.557 1.00 0.00 N ATOM 1502 CA VAL A 110 -6.904 -4.700 6.378 1.00 0.00 C ATOM 1503 C VAL A 110 -6.202 -4.792 7.708 1.00 0.00 C ATOM 1504 O VAL A 110 -6.278 -3.868 8.507 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.354 -3.413 5.714 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -5.723 -3.714 4.374 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -7.408 -2.327 5.583 1.00 0.00 C ATOM 0 H VAL A 110 -8.764 -3.845 6.891 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.710 -5.553 5.728 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.582 -3.028 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.347 -2.791 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.899 -4.414 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.468 -4.155 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.968 -1.448 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.233 -2.692 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -7.780 -2.060 6.572 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.453 -5.859 7.907 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.701 -6.026 9.132 1.00 0.00 C ATOM 1519 C VAL A 111 -3.261 -5.624 8.905 1.00 0.00 C ATOM 1520 O VAL A 111 -2.527 -6.297 8.180 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.750 -7.481 9.640 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.725 -7.702 10.744 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -6.146 -7.824 10.129 1.00 0.00 C ATOM 0 H VAL A 111 -5.350 -6.621 7.237 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.156 -5.388 9.889 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.502 -8.143 8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.777 -8.735 11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.726 -7.498 10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.937 -7.032 11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.164 -8.854 10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.421 -7.154 10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.857 -7.710 9.310 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.871 -4.523 9.527 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.515 -4.008 9.382 1.00 0.00 C ATOM 1535 C ASP A 112 -0.525 -5.033 9.924 1.00 0.00 C ATOM 1536 O ASP A 112 -0.672 -5.495 11.057 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.340 -2.687 10.132 1.00 0.00 C ATOM 1538 CG ASP A 112 0.118 -2.261 10.216 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.718 -1.958 9.163 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.673 -2.227 11.335 1.00 0.00 O ATOM 0 H ASP A 112 -3.472 -3.968 10.137 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.329 -3.827 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.916 -1.908 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.746 -2.786 11.139 1.00 0.00 H new ATOM 1544 N VAL A 113 0.468 -5.398 9.131 1.00 0.00 N ATOM 1545 CA VAL A 113 1.412 -6.426 9.550 1.00 0.00 C ATOM 1546 C VAL A 113 2.863 -5.965 9.432 1.00 0.00 C ATOM 1547 O VAL A 113 3.692 -6.303 10.279 1.00 0.00 O ATOM 1548 CB VAL A 113 1.217 -7.740 8.763 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.054 -8.450 9.204 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.178 -7.471 7.269 1.00 0.00 C ATOM 0 H VAL A 113 0.642 -5.006 8.206 1.00 0.00 H new ATOM 0 HA VAL A 113 1.200 -6.614 10.603 1.00 0.00 H new ATOM 0 HB VAL A 113 2.066 -8.389 8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.171 -9.373 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.010 -8.683 10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.913 -7.803 9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.040 -8.410 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.351 -6.799 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.116 -7.010 6.958 1.00 0.00 H new ATOM 1560 N GLY A 114 3.175 -5.199 8.395 1.00 0.00 N ATOM 1561 CA GLY A 114 4.531 -4.711 8.239 1.00 0.00 C ATOM 1562 C GLY A 114 4.791 -4.115 6.870 1.00 0.00 C ATOM 1563 O GLY A 114 5.431 -4.734 6.022 1.00 0.00 O ATOM 0 H GLY A 114 2.522 -4.909 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.730 -3.958 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.229 -5.531 8.411 1.00 0.00 H new ATOM 1567 N SER A 115 4.301 -2.907 6.658 1.00 0.00 N ATOM 1568 CA SER A 115 4.541 -2.196 5.416 1.00 0.00 C ATOM 1569 C SER A 115 5.835 -1.399 5.525 1.00 0.00 C ATOM 1570 O SER A 115 5.963 -0.582 6.434 1.00 0.00 O ATOM 1571 CB SER A 115 3.367 -1.263 5.122 1.00 0.00 C ATOM 1572 OG SER A 115 3.561 -0.536 3.923 1.00 0.00 O ATOM 0 H SER A 115 3.732 -2.396 7.333 1.00 0.00 H new ATOM 0 HA SER A 115 4.635 -2.911 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.449 -1.846 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.238 -0.568 5.952 1.00 0.00 H new ATOM 0 HG SER A 115 3.498 0.424 4.109 1.00 0.00 H new ATOM 1577 N LEU A 116 6.798 -1.647 4.630 1.00 0.00 N ATOM 1578 CA LEU A 116 8.143 -1.079 4.790 1.00 0.00 C ATOM 1579 C LEU A 116 8.120 0.434 5.010 1.00 0.00 C ATOM 1580 O LEU A 116 8.653 0.925 6.006 1.00 0.00 O ATOM 1581 CB LEU A 116 9.013 -1.401 3.579 1.00 0.00 C ATOM 1582 CG LEU A 116 10.379 -0.716 3.572 1.00 0.00 C ATOM 1583 CD1 LEU A 116 11.279 -1.279 4.661 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.028 -0.873 2.222 1.00 0.00 C ATOM 0 H LEU A 116 6.676 -2.227 3.800 1.00 0.00 H new ATOM 0 HA LEU A 116 8.567 -1.540 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.163 -2.480 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.474 -1.115 2.676 1.00 0.00 H new ATOM 0 HG LEU A 116 10.231 0.345 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.244 -0.773 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.815 -1.121 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.424 -2.347 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.001 -0.382 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.158 -1.933 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.396 -0.419 1.459 1.00 0.00 H new ATOM 1595 N ASN A 117 7.496 1.163 4.089 1.00 0.00 N ATOM 1596 CA ASN A 117 7.421 2.619 4.195 1.00 0.00 C ATOM 1597 C ASN A 117 6.410 3.024 5.261 1.00 0.00 C ATOM 1598 O ASN A 117 6.591 4.016 5.967 1.00 0.00 O ATOM 1599 CB ASN A 117 7.039 3.236 2.852 1.00 0.00 C ATOM 1600 CG ASN A 117 7.039 4.754 2.888 1.00 0.00 C ATOM 1601 OD1 ASN A 117 8.054 5.396 2.632 1.00 0.00 O ATOM 1602 ND2 ASN A 117 5.897 5.338 3.196 1.00 0.00 N ATOM 0 H ASN A 117 7.037 0.774 3.265 1.00 0.00 H new ATOM 0 HA ASN A 117 8.404 2.991 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.736 2.894 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.049 2.883 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.837 6.356 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.074 4.772 3.403 1.00 0.00 H new ATOM 1608 N GLY A 118 5.344 2.245 5.375 1.00 0.00 N ATOM 1609 CA GLY A 118 4.336 2.528 6.372 1.00 0.00 C ATOM 1610 C GLY A 118 2.945 2.093 5.949 1.00 0.00 C ATOM 1611 O GLY A 118 2.698 1.813 4.759 1.00 0.00 O ATOM 0 H GLY A 118 5.161 1.425 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.601 2.025 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.329 3.598 6.580 1.00 0.00 H new ATOM 1615 N THR A 119 2.073 1.954 6.943 1.00 0.00 N ATOM 1616 CA THR A 119 0.652 1.717 6.732 1.00 0.00 C ATOM 1617 C THR A 119 -0.178 2.917 7.184 1.00 0.00 C ATOM 1618 O THR A 119 -0.108 3.325 8.344 1.00 0.00 O ATOM 1619 CB THR A 119 0.181 0.471 7.506 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.703 -0.719 6.897 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.340 0.394 7.580 1.00 0.00 C ATOM 0 H THR A 119 2.337 2.004 7.927 1.00 0.00 H new ATOM 0 HA THR A 119 0.508 1.559 5.663 1.00 0.00 H new ATOM 0 HB THR A 119 0.561 0.553 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 119 1.042 -1.321 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.633 -0.498 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 119 -1.725 1.278 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.751 0.347 6.572 1.00 0.00 H new ATOM 1629 N TYR A 120 -0.957 3.472 6.273 1.00 0.00 N ATOM 1630 CA TYR A 120 -1.919 4.509 6.617 1.00 0.00 C ATOM 1631 C TYR A 120 -3.251 4.213 5.944 1.00 0.00 C ATOM 1632 O TYR A 120 -3.305 3.998 4.742 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.403 5.890 6.204 1.00 0.00 C ATOM 1634 CG TYR A 120 -1.104 6.800 7.375 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -0.219 6.415 8.370 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -1.705 8.047 7.481 1.00 0.00 C ATOM 1637 CE1 TYR A 120 0.059 7.244 9.441 1.00 0.00 C ATOM 1638 CE2 TYR A 120 -1.434 8.883 8.548 1.00 0.00 C ATOM 1639 CZ TYR A 120 -0.550 8.477 9.524 1.00 0.00 C ATOM 1640 OH TYR A 120 -0.276 9.306 10.590 1.00 0.00 O ATOM 0 H TYR A 120 -0.943 3.222 5.284 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.058 4.515 7.698 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.498 5.767 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.143 6.368 5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.262 5.450 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.396 8.370 6.716 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.750 6.927 10.208 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.912 9.849 8.616 1.00 0.00 H new ATOM 0 HH TYR A 120 -0.786 10.138 10.497 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.316 4.166 6.723 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.640 3.881 6.192 1.00 0.00 C ATOM 1651 C VAL A 121 -6.596 4.990 6.584 1.00 0.00 C ATOM 1652 O VAL A 121 -6.801 5.237 7.766 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.185 2.533 6.712 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.575 2.255 6.165 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.246 1.398 6.351 1.00 0.00 C ATOM 0 H VAL A 121 -4.291 4.322 7.731 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.557 3.819 5.107 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.251 2.601 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -7.932 1.299 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.254 3.048 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.537 2.218 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.650 0.458 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.144 1.341 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.269 1.578 6.799 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.163 5.660 5.593 1.00 0.00 N ATOM 1666 CA ASN A 122 -8.090 6.764 5.833 1.00 0.00 C ATOM 1667 C ASN A 122 -7.371 7.874 6.594 1.00 0.00 C ATOM 1668 O ASN A 122 -7.946 8.505 7.483 1.00 0.00 O ATOM 1669 CB ASN A 122 -9.322 6.303 6.639 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.852 4.932 6.239 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.394 4.206 7.075 1.00 0.00 O ATOM 1672 ND2 ASN A 122 -9.712 4.561 4.975 1.00 0.00 N ATOM 0 H ASN A 122 -6.998 5.459 4.607 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.436 7.132 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -9.064 6.286 7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -10.118 7.038 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.058 3.651 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -9.259 5.185 4.308 1.00 0.00 H new ATOM 1678 N ARG A 123 -6.094 8.075 6.252 1.00 0.00 N ATOM 1679 CA ARG A 123 -5.247 9.089 6.889 1.00 0.00 C ATOM 1680 C ARG A 123 -4.966 8.764 8.363 1.00 0.00 C ATOM 1681 O ARG A 123 -4.584 9.648 9.132 1.00 0.00 O ATOM 1682 CB ARG A 123 -5.881 10.482 6.772 1.00 0.00 C ATOM 1683 CG ARG A 123 -6.092 10.954 5.340 1.00 0.00 C ATOM 1684 CD ARG A 123 -5.039 11.963 4.907 1.00 0.00 C ATOM 1685 NE ARG A 123 -3.693 11.396 4.843 1.00 0.00 N ATOM 1686 CZ ARG A 123 -2.592 12.120 4.652 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -2.673 13.435 4.487 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -1.413 11.523 4.608 1.00 0.00 N ATOM 0 H ARG A 123 -5.618 7.539 5.526 1.00 0.00 H new ATOM 0 HA ARG A 123 -4.295 9.084 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.842 10.476 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -5.247 11.202 7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -6.068 10.095 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -7.081 11.402 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.306 12.360 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -5.041 12.802 5.603 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.591 10.387 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.583 13.896 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.826 13.984 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.349 10.511 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -0.567 12.074 4.462 1.00 0.00 H new ATOM 1699 N GLU A 124 -5.148 7.505 8.760 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.845 7.086 10.129 1.00 0.00 C ATOM 1701 C GLU A 124 -4.260 5.671 10.146 1.00 0.00 C ATOM 1702 O GLU A 124 -4.606 4.840 9.313 1.00 0.00 O ATOM 1703 CB GLU A 124 -6.109 7.135 10.998 1.00 0.00 C ATOM 1704 CG GLU A 124 -7.178 6.140 10.579 1.00 0.00 C ATOM 1705 CD GLU A 124 -8.386 6.155 11.486 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -9.293 6.979 11.256 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.443 5.338 12.431 1.00 0.00 O ATOM 0 H GLU A 124 -5.501 6.761 8.158 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.106 7.776 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.834 6.944 12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.527 8.141 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.493 6.362 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.750 5.138 10.570 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.322 5.395 11.062 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.818 4.043 11.281 1.00 0.00 C ATOM 1714 C PRO A 125 -3.896 3.145 11.880 1.00 0.00 C ATOM 1715 O PRO A 125 -4.446 3.450 12.940 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.664 4.225 12.276 1.00 0.00 C ATOM 1717 CG PRO A 125 -1.367 5.685 12.276 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.649 6.374 11.913 1.00 0.00 C ATOM 0 HA PRO A 125 -2.505 3.567 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.946 3.882 13.271 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.791 3.647 11.975 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -1.014 6.010 13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.581 5.922 11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.241 6.615 12.796 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.468 7.310 11.385 1.00 0.00 H new ATOM 1723 N VAL A 126 -4.202 2.044 11.211 1.00 0.00 N ATOM 1724 CA VAL A 126 -5.257 1.151 11.674 1.00 0.00 C ATOM 1725 C VAL A 126 -4.693 -0.207 12.067 1.00 0.00 C ATOM 1726 O VAL A 126 -3.495 -0.461 11.930 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.350 0.939 10.600 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.922 2.272 10.140 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.808 0.139 9.421 1.00 0.00 C ATOM 0 H VAL A 126 -3.740 1.747 10.352 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.705 1.632 12.544 1.00 0.00 H new ATOM 0 HB VAL A 126 -7.159 0.363 11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.689 2.098 9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.362 2.792 10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.125 2.882 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.596 0.004 8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -4.974 0.676 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.466 -0.836 9.769 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.567 -1.066 12.565 1.00 0.00 N ATOM 1740 CA ASP A 127 -5.215 -2.447 12.855 1.00 0.00 C ATOM 1741 C ASP A 127 -5.904 -3.366 11.861 1.00 0.00 C ATOM 1742 O ASP A 127 -5.306 -4.308 11.354 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.623 -2.822 14.280 1.00 0.00 C ATOM 1744 CG ASP A 127 -5.368 -4.284 14.590 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -4.254 -4.613 15.050 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -6.285 -5.111 14.384 1.00 0.00 O ATOM 0 H ASP A 127 -6.536 -0.828 12.779 1.00 0.00 H new ATOM 0 HA ASP A 127 -4.134 -2.558 12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -5.072 -2.202 14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.681 -2.603 14.421 1.00 0.00 H new ATOM 1750 N SER A 128 -7.167 -3.061 11.583 1.00 0.00 N ATOM 1751 CA SER A 128 -7.979 -3.841 10.656 1.00 0.00 C ATOM 1752 C SER A 128 -9.232 -3.049 10.267 1.00 0.00 C ATOM 1753 O SER A 128 -10.261 -3.103 10.942 1.00 0.00 O ATOM 1754 CB SER A 128 -8.325 -5.187 11.289 1.00 0.00 C ATOM 1755 OG SER A 128 -8.767 -5.031 12.631 1.00 0.00 O ATOM 0 H SER A 128 -7.657 -2.266 11.994 1.00 0.00 H new ATOM 0 HA SER A 128 -7.419 -4.037 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 128 -9.102 -5.677 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.451 -5.837 11.266 1.00 0.00 H new ATOM 0 HG SER A 128 -7.995 -5.052 13.234 1.00 0.00 H new ATOM 1760 N ALA A 129 -9.118 -2.291 9.180 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.201 -1.422 8.725 1.00 0.00 C ATOM 1762 C ALA A 129 -11.090 -2.139 7.723 1.00 0.00 C ATOM 1763 O ALA A 129 -10.609 -2.931 6.915 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.635 -0.157 8.109 1.00 0.00 C ATOM 0 H ALA A 129 -8.283 -2.261 8.595 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.808 -1.155 9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.452 0.482 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.040 0.375 8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.005 -0.417 7.258 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.380 -1.837 7.765 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.359 -2.534 6.945 1.00 0.00 C ATOM 1772 C VAL A 130 -13.512 -1.862 5.586 1.00 0.00 C ATOM 1773 O VAL A 130 -13.582 -0.636 5.490 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.744 -2.588 7.631 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.664 -3.584 6.927 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.604 -2.925 9.109 1.00 0.00 C ATOM 0 H VAL A 130 -12.774 -1.110 8.362 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.988 -3.550 6.813 1.00 0.00 H new ATOM 0 HB VAL A 130 -15.198 -1.600 7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.631 -3.603 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.800 -3.283 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.218 -4.578 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.591 -2.957 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.121 -3.896 9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.999 -2.163 9.600 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.546 -2.692 4.553 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.796 -2.268 3.178 1.00 0.00 C ATOM 1788 C LEU A 131 -14.997 -1.307 3.106 1.00 0.00 C ATOM 1789 O LEU A 131 -16.068 -1.597 3.643 1.00 0.00 O ATOM 1790 CB LEU A 131 -14.063 -3.529 2.345 1.00 0.00 C ATOM 1791 CG LEU A 131 -13.405 -3.597 0.964 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -13.472 -5.012 0.437 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -14.092 -2.650 0.002 1.00 0.00 C ATOM 0 H LEU A 131 -13.398 -3.697 4.646 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.932 -1.729 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.733 -4.393 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -15.141 -3.627 2.213 1.00 0.00 H new ATOM 0 HG LEU A 131 -12.361 -3.297 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -13.003 -5.057 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -12.947 -5.680 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -14.514 -5.321 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.611 -2.711 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -15.142 -2.926 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -14.017 -1.630 0.380 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.803 -0.163 2.452 1.00 0.00 N ATOM 1805 CA ALA A 132 -15.826 0.872 2.342 1.00 0.00 C ATOM 1806 C ALA A 132 -15.871 1.375 0.906 1.00 0.00 C ATOM 1807 O ALA A 132 -15.195 0.821 0.047 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.540 2.016 3.307 1.00 0.00 C ATOM 0 H ALA A 132 -13.928 0.072 1.982 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.796 0.452 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.314 2.777 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.531 1.637 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.569 2.454 3.074 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.672 2.399 0.634 1.00 0.00 N ATOM 1815 CA ASN A 133 -16.793 2.919 -0.727 1.00 0.00 C ATOM 1816 C ASN A 133 -16.087 4.257 -0.896 1.00 0.00 C ATOM 1817 O ASN A 133 -16.486 5.269 -0.320 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.253 3.077 -1.140 1.00 0.00 C ATOM 1819 CG ASN A 133 -18.915 1.763 -1.484 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -18.267 0.819 -1.930 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -20.216 1.707 -1.292 1.00 0.00 N ATOM 0 H ASN A 133 -17.242 2.883 1.328 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.311 2.184 -1.371 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -18.804 3.554 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -18.311 3.743 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.728 0.854 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -20.712 2.517 -0.919 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.033 4.242 -1.691 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.382 5.475 -2.099 1.00 0.00 C ATOM 1829 C GLY A 134 -13.312 5.953 -1.136 1.00 0.00 C ATOM 1830 O GLY A 134 -12.617 6.931 -1.414 1.00 0.00 O ATOM 0 H GLY A 134 -14.610 3.393 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.934 5.330 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.136 6.255 -2.205 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.178 5.276 -0.007 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.193 5.658 0.992 1.00 0.00 C ATOM 1836 C ASP A 135 -10.861 4.974 0.687 1.00 0.00 C ATOM 1837 O ASP A 135 -10.832 3.924 0.040 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.703 5.297 2.384 1.00 0.00 C ATOM 1839 CG ASP A 135 -12.591 6.459 3.350 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -13.518 7.302 3.378 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -11.589 6.546 4.078 1.00 0.00 O ATOM 0 H ASP A 135 -13.738 4.460 0.240 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.034 6.736 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.744 4.980 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.136 4.450 2.769 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.760 5.565 1.135 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.444 5.127 0.684 1.00 0.00 C ATOM 1847 C GLU A 136 -7.597 4.460 1.776 1.00 0.00 C ATOM 1848 O GLU A 136 -7.692 4.780 2.963 1.00 0.00 O ATOM 1849 CB GLU A 136 -7.665 6.294 0.053 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.512 7.526 0.941 1.00 0.00 C ATOM 1851 CD GLU A 136 -8.769 8.368 1.015 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -8.970 9.224 0.127 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -9.559 8.181 1.961 1.00 0.00 O ATOM 0 H GLU A 136 -9.750 6.338 1.801 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.636 4.360 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -6.672 5.940 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.167 6.589 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -7.235 7.209 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.694 8.139 0.563 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.762 3.525 1.323 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.771 2.831 2.147 1.00 0.00 C ATOM 1860 C VAL A 137 -4.414 3.015 1.491 1.00 0.00 C ATOM 1861 O VAL A 137 -4.320 3.002 0.273 1.00 0.00 O ATOM 1862 CB VAL A 137 -6.043 1.302 2.248 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -5.018 0.598 3.147 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.458 1.035 2.734 1.00 0.00 C ATOM 0 H VAL A 137 -6.755 3.221 0.349 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.816 3.250 3.152 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.938 0.887 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.244 -0.468 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -4.017 0.741 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.064 1.020 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.624 -0.040 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.595 1.481 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.171 1.472 2.035 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.378 3.207 2.267 1.00 0.00 N ATOM 1875 CA GLN A 138 -2.046 3.259 1.712 1.00 0.00 C ATOM 1876 C GLN A 138 -1.262 2.022 2.102 1.00 0.00 C ATOM 1877 O GLN A 138 -1.235 1.620 3.271 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.312 4.526 2.152 1.00 0.00 C ATOM 1879 CG GLN A 138 0.174 4.518 1.819 1.00 0.00 C ATOM 1880 CD GLN A 138 1.016 3.971 2.947 1.00 0.00 C ATOM 1881 OE1 GLN A 138 0.663 4.088 4.113 1.00 0.00 O ATOM 1882 NE2 GLN A 138 2.133 3.364 2.607 1.00 0.00 N ATOM 0 H GLN A 138 -3.428 3.329 3.278 1.00 0.00 H new ATOM 0 HA GLN A 138 -2.134 3.286 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.778 5.389 1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.434 4.651 3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 138 0.339 3.919 0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.497 5.533 1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 138 2.393 3.287 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.739 2.971 3.327 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.647 1.410 1.106 1.00 0.00 N ATOM 1890 CA ILE A 139 0.254 0.304 1.333 1.00 0.00 C ATOM 1891 C ILE A 139 1.582 0.632 0.689 1.00 0.00 C ATOM 1892 O ILE A 139 1.611 1.102 -0.447 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.288 -1.045 0.781 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.221 -1.342 -0.626 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.806 -1.078 0.804 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.278 -2.656 -1.176 1.00 0.00 C ATOM 0 H ILE A 139 -0.759 1.666 0.125 1.00 0.00 H new ATOM 0 HA ILE A 139 0.362 0.172 2.410 1.00 0.00 H new ATOM 0 HB ILE A 139 0.092 -1.824 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -0.086 -0.537 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.311 -1.350 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.155 -2.033 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.157 -0.956 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.197 -0.268 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.121 -2.806 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.051 -3.470 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -1.367 -2.643 -1.217 1.00 0.00 H new ATOM 1907 N GLY A 140 2.671 0.471 1.429 1.00 0.00 N ATOM 1908 CA GLY A 140 3.975 0.652 0.832 1.00 0.00 C ATOM 1909 C GLY A 140 4.198 2.091 0.447 1.00 0.00 C ATOM 1910 O GLY A 140 4.637 2.889 1.262 1.00 0.00 O ATOM 0 H GLY A 140 2.674 0.222 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.747 0.336 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 140 4.066 0.018 -0.050 1.00 0.00 H new ATOM 1914 N LYS A 141 3.850 2.436 -0.780 1.00 0.00 N ATOM 1915 CA LYS A 141 4.039 3.786 -1.247 1.00 0.00 C ATOM 1916 C LYS A 141 2.952 4.201 -2.240 1.00 0.00 C ATOM 1917 O LYS A 141 3.063 5.228 -2.898 1.00 0.00 O ATOM 1918 CB LYS A 141 5.436 3.901 -1.847 1.00 0.00 C ATOM 1919 CG LYS A 141 5.751 2.854 -2.898 1.00 0.00 C ATOM 1920 CD LYS A 141 7.226 2.857 -3.274 1.00 0.00 C ATOM 1921 CE LYS A 141 7.659 4.172 -3.897 1.00 0.00 C ATOM 1922 NZ LYS A 141 9.057 4.111 -4.399 1.00 0.00 N ATOM 0 H LYS A 141 3.438 1.800 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 141 3.952 4.476 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.548 4.890 -2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 141 6.171 3.827 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.473 1.869 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 141 5.149 3.039 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.826 2.664 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.422 2.044 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.988 4.423 -4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.572 4.970 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 9.316 5.027 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.700 3.896 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 9.134 3.367 -5.121 1.00 0.00 H new ATOM 1932 N PHE A 142 1.878 3.428 -2.305 1.00 0.00 N ATOM 1933 CA PHE A 142 0.816 3.669 -3.279 1.00 0.00 C ATOM 1934 C PHE A 142 -0.439 4.142 -2.560 1.00 0.00 C ATOM 1935 O PHE A 142 -0.595 3.890 -1.364 1.00 0.00 O ATOM 1936 CB PHE A 142 0.506 2.382 -4.059 1.00 0.00 C ATOM 1937 CG PHE A 142 1.717 1.524 -4.273 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.215 0.755 -3.237 1.00 0.00 C ATOM 1939 CD2 PHE A 142 2.364 1.495 -5.491 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.329 -0.027 -3.413 1.00 0.00 C ATOM 1941 CE2 PHE A 142 3.485 0.713 -5.672 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.965 -0.048 -4.635 1.00 0.00 C ATOM 0 H PHE A 142 1.716 2.627 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 142 1.148 4.436 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.248 1.809 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.077 2.644 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.721 0.770 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.989 2.090 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.706 -0.624 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.985 0.699 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.841 -0.663 -4.777 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.327 4.824 -3.274 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.596 5.246 -2.695 1.00 0.00 C ATOM 1953 C ARG A 143 -3.714 4.370 -3.236 1.00 0.00 C ATOM 1954 O ARG A 143 -4.028 4.406 -4.428 1.00 0.00 O ATOM 1955 CB ARG A 143 -2.897 6.713 -3.002 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.008 7.287 -2.138 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.942 8.186 -2.930 1.00 0.00 C ATOM 1958 NE ARG A 143 -4.238 9.254 -3.648 1.00 0.00 N ATOM 1959 CZ ARG A 143 -4.809 9.998 -4.599 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -6.084 9.814 -4.913 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -4.114 10.947 -5.216 1.00 0.00 N ATOM 0 H ARG A 143 -1.193 5.095 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.526 5.140 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -1.991 7.302 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.175 6.809 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.580 6.472 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.571 7.854 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.499 7.581 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.671 8.631 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.264 9.438 -3.409 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.631 9.103 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.518 10.384 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.139 11.111 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.555 11.512 -5.942 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.295 3.580 -2.358 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.306 2.614 -2.738 1.00 0.00 C ATOM 1974 C LEU A 144 -6.663 3.084 -2.255 1.00 0.00 C ATOM 1975 O LEU A 144 -6.745 3.869 -1.328 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.002 1.240 -2.126 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.599 0.674 -2.384 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.539 1.384 -1.563 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.575 -0.802 -2.076 1.00 0.00 C ATOM 0 H LEU A 144 -4.080 3.589 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.306 2.524 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.151 1.305 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -5.733 0.527 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.369 0.838 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.562 0.951 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.530 2.444 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.762 1.268 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -2.576 -1.196 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -3.839 -0.960 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.293 -1.318 -2.713 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.713 2.611 -2.890 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.075 2.912 -2.469 1.00 0.00 C ATOM 1992 C VAL A 145 -9.927 1.661 -2.612 1.00 0.00 C ATOM 1993 O VAL A 145 -9.736 0.881 -3.537 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.698 4.082 -3.282 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -8.830 4.443 -4.471 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.111 3.746 -3.739 1.00 0.00 C ATOM 0 H VAL A 145 -7.653 2.008 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.045 3.231 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 145 -9.751 4.947 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.290 5.264 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.843 4.748 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -8.732 3.577 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.519 4.584 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.088 2.858 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.739 3.555 -2.869 1.00 0.00 H new ATOM 2006 N PHE A 146 -10.850 1.456 -1.702 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.680 0.267 -1.764 1.00 0.00 C ATOM 2008 C PHE A 146 -13.105 0.569 -2.196 1.00 0.00 C ATOM 2009 O PHE A 146 -13.618 1.668 -1.975 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.659 -0.527 -0.452 1.00 0.00 C ATOM 2011 CG PHE A 146 -11.636 0.268 0.827 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.367 1.429 0.975 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -10.876 -0.177 1.897 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -12.341 2.133 2.163 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -10.848 0.520 3.088 1.00 0.00 C ATOM 2016 CZ PHE A 146 -11.580 1.678 3.220 1.00 0.00 C ATOM 0 H PHE A 146 -11.047 2.082 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.237 -0.362 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -12.536 -1.174 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -10.784 -1.177 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -12.966 1.791 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -10.297 -1.083 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -12.917 3.041 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -10.254 0.158 3.914 1.00 0.00 H new ATOM 0 HZ PHE A 146 -11.559 2.229 4.149 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.709 -0.420 -2.857 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.095 -0.345 -3.306 1.00 0.00 C ATOM 2027 C LEU A 147 -15.815 -1.655 -3.010 1.00 0.00 C ATOM 2028 O LEU A 147 -15.215 -2.734 -3.055 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.195 -0.069 -4.820 1.00 0.00 C ATOM 2030 CG LEU A 147 -14.863 1.353 -5.285 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.495 2.376 -4.358 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.360 1.557 -5.391 1.00 0.00 C ATOM 0 H LEU A 147 -13.247 -1.297 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.560 0.480 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.528 -0.760 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.209 -0.304 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.283 1.495 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.249 3.380 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.577 2.247 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -15.113 2.236 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.153 2.574 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.901 1.393 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.947 0.850 -6.110 1.00 0.00 H new