USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=16 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 117 ASN :FLIP amide:sc= -4.63! C(o=-16!,f=-10!) USER MOD Set 1.2: A 138 GLN : amide:sc= -5.84! C(o=-10!,f=-12!) USER MOD Set 2.1: A 98 HIS : no HE2:sc= -5.86! C(o=-3.8!,f=-13!) USER MOD Set 2.2: A 119 THR OG1 : rot 117:sc= 2.04 USER MOD Single : A 23 SER OG : rot 34:sc= 0.197 USER MOD Single : A 55 SER OG : rot 25:sc= -0.238 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= -0.0059 (180deg=-0.088) USER MOD Single : A 65 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.57) USER MOD Single : A 68 SER OG : rot 156:sc= -0.0085 USER MOD Single : A 74 GLN :FLIP amide:sc=-0.00937 F(o=-1.8!,f=-0.0094) USER MOD Single : A 77 THR OG1 : rot 100:sc= -3.26! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -7.8! C(o=-11!,f=-7.8!) USER MOD Single : A 93 THR OG1 : rot -133:sc= -1.65! USER MOD Single : A 95 SER OG : rot 180:sc= 0.00604 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 109 ASN : amide:sc= -0.81 K(o=-0.81,f=-3!) USER MOD Single : A 115 SER OG : rot -130:sc= 1.92 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -4.13! C(o=-4.1!,f=-4!) USER MOD Single : A 128 SER OG : rot 47:sc= 0.204 USER MOD Single : A 133 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.82) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.252 -0.985 -2.179 1.00 0.00 N ATOM 306 CA SER A 23 12.132 0.286 -2.898 1.00 0.00 C ATOM 307 C SER A 23 10.871 1.054 -2.505 1.00 0.00 C ATOM 308 O SER A 23 9.785 0.781 -3.008 1.00 0.00 O ATOM 309 CB SER A 23 12.090 -0.032 -4.378 1.00 0.00 C ATOM 310 OG SER A 23 13.226 -0.790 -4.760 1.00 0.00 O ATOM 0 HA SER A 23 12.982 0.920 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.181 -0.587 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.054 0.893 -4.953 1.00 0.00 H new ATOM 0 HG SER A 23 13.489 -1.380 -4.023 1.00 0.00 H new ATOM 315 N VAL A 24 11.014 2.034 -1.637 1.00 0.00 N ATOM 316 CA VAL A 24 9.857 2.687 -1.068 1.00 0.00 C ATOM 317 C VAL A 24 9.951 4.210 -1.165 1.00 0.00 C ATOM 318 O VAL A 24 11.049 4.774 -1.139 1.00 0.00 O ATOM 319 CB VAL A 24 9.708 2.228 0.380 1.00 0.00 C ATOM 320 CG1 VAL A 24 10.795 2.826 1.260 1.00 0.00 C ATOM 321 CG2 VAL A 24 8.332 2.544 0.919 1.00 0.00 C ATOM 0 H VAL A 24 11.912 2.392 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 24 8.971 2.405 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 24 9.826 1.145 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.663 2.481 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.773 2.512 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.729 3.914 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.259 2.204 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.164 3.620 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.579 2.036 0.316 1.00 0.00 H new ATOM 331 N PHE A 25 8.790 4.871 -1.281 1.00 0.00 N ATOM 332 CA PHE A 25 8.742 6.311 -1.533 1.00 0.00 C ATOM 333 C PHE A 25 7.282 6.771 -1.682 1.00 0.00 C ATOM 334 O PHE A 25 6.421 6.234 -1.004 1.00 0.00 O ATOM 335 CB PHE A 25 9.528 6.606 -2.815 1.00 0.00 C ATOM 336 CG PHE A 25 10.034 8.019 -2.930 1.00 0.00 C ATOM 337 CD1 PHE A 25 10.912 8.533 -1.991 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.643 8.825 -3.988 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.386 9.826 -2.100 1.00 0.00 C ATOM 340 CE2 PHE A 25 10.112 10.119 -4.102 1.00 0.00 C ATOM 341 CZ PHE A 25 10.987 10.620 -3.157 1.00 0.00 C ATOM 0 H PHE A 25 7.874 4.428 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 25 9.185 6.852 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.377 5.925 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.891 6.391 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.230 7.916 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.963 8.436 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.068 10.216 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.795 10.738 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.358 11.630 -3.245 1.00 0.00 H new ATOM 350 N ARG A 26 7.028 7.782 -2.544 1.00 0.00 N ATOM 351 CA ARG A 26 5.660 8.210 -2.919 1.00 0.00 C ATOM 352 C ARG A 26 4.763 8.342 -1.674 1.00 0.00 C ATOM 353 O ARG A 26 4.943 9.277 -0.886 1.00 0.00 O ATOM 354 CB ARG A 26 5.104 7.220 -3.971 1.00 0.00 C ATOM 355 CG ARG A 26 3.637 7.382 -4.394 1.00 0.00 C ATOM 356 CD ARG A 26 3.367 8.551 -5.319 1.00 0.00 C ATOM 357 NE ARG A 26 2.024 8.428 -5.904 1.00 0.00 N ATOM 358 CZ ARG A 26 1.782 8.486 -7.218 1.00 0.00 C ATOM 359 NH1 ARG A 26 2.766 8.760 -8.063 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.554 8.293 -7.686 1.00 0.00 N ATOM 0 H ARG A 26 7.764 8.323 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 26 5.682 9.203 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.722 7.298 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.232 6.210 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.312 6.465 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.026 7.497 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.448 9.488 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.116 8.580 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 26 1.234 8.291 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.709 8.927 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.580 8.804 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.213 8.099 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.378 8.339 -8.690 1.00 0.00 H new ATOM 707 N SER A 55 -17.330 -10.120 -5.437 1.00 0.00 N ATOM 708 CA SER A 55 -16.234 -9.790 -4.539 1.00 0.00 C ATOM 709 C SER A 55 -16.202 -8.282 -4.315 1.00 0.00 C ATOM 710 O SER A 55 -16.904 -7.537 -4.997 1.00 0.00 O ATOM 711 CB SER A 55 -14.916 -10.225 -5.190 1.00 0.00 C ATOM 712 OG SER A 55 -15.105 -11.353 -6.038 1.00 0.00 O ATOM 0 HA SER A 55 -16.370 -10.300 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.503 -9.398 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.188 -10.467 -4.416 1.00 0.00 H new ATOM 0 HG SER A 55 -16.036 -11.381 -6.342 1.00 0.00 H new ATOM 717 N ALA A 56 -15.386 -7.840 -3.376 1.00 0.00 N ATOM 718 CA ALA A 56 -15.127 -6.423 -3.194 1.00 0.00 C ATOM 719 C ALA A 56 -13.623 -6.228 -3.245 1.00 0.00 C ATOM 720 O ALA A 56 -12.892 -7.216 -3.211 1.00 0.00 O ATOM 721 CB ALA A 56 -15.711 -5.942 -1.878 1.00 0.00 C ATOM 0 H ALA A 56 -14.888 -8.446 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.602 -5.835 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.508 -4.878 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.788 -6.108 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.257 -6.494 -1.055 1.00 0.00 H new ATOM 727 N LEU A 57 -13.130 -5.001 -3.358 1.00 0.00 N ATOM 728 CA LEU A 57 -11.687 -4.832 -3.466 1.00 0.00 C ATOM 729 C LEU A 57 -11.196 -3.434 -3.140 1.00 0.00 C ATOM 730 O LEU A 57 -11.847 -2.431 -3.442 1.00 0.00 O ATOM 731 CB LEU A 57 -11.213 -5.256 -4.868 1.00 0.00 C ATOM 732 CG LEU A 57 -11.994 -4.673 -6.058 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.530 -3.262 -6.394 1.00 0.00 C ATOM 734 CD2 LEU A 57 -11.859 -5.575 -7.275 1.00 0.00 C ATOM 0 H LEU A 57 -13.680 -4.142 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.249 -5.479 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.166 -4.973 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.257 -6.343 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.044 -4.620 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.104 -2.882 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.683 -2.614 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.471 -3.279 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.417 -5.148 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.808 -5.661 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.255 -6.563 -7.041 1.00 0.00 H new ATOM 745 N LEU A 58 -10.039 -3.400 -2.486 1.00 0.00 N ATOM 746 CA LEU A 58 -9.262 -2.163 -2.350 1.00 0.00 C ATOM 747 C LEU A 58 -8.373 -2.027 -3.575 1.00 0.00 C ATOM 748 O LEU A 58 -7.464 -2.829 -3.752 1.00 0.00 O ATOM 749 CB LEU A 58 -8.314 -2.184 -1.138 1.00 0.00 C ATOM 750 CG LEU A 58 -8.886 -2.484 0.245 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.287 -3.939 0.368 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.836 -2.142 1.289 1.00 0.00 C ATOM 0 H LEU A 58 -9.615 -4.213 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.976 -1.348 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.538 -2.922 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.824 -1.212 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.781 -1.881 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.691 -4.122 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.045 -4.172 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.414 -4.572 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.230 -2.351 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.944 -2.744 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.580 -1.085 1.215 1.00 0.00 H new ATOM 763 N VAL A 59 -8.604 -1.029 -4.403 1.00 0.00 N ATOM 764 CA VAL A 59 -7.807 -0.870 -5.612 1.00 0.00 C ATOM 765 C VAL A 59 -6.886 0.350 -5.495 1.00 0.00 C ATOM 766 O VAL A 59 -7.339 1.438 -5.143 1.00 0.00 O ATOM 767 CB VAL A 59 -8.717 -0.748 -6.869 1.00 0.00 C ATOM 768 CG1 VAL A 59 -9.754 0.349 -6.695 1.00 0.00 C ATOM 769 CG2 VAL A 59 -7.897 -0.501 -8.128 1.00 0.00 C ATOM 0 H VAL A 59 -9.326 -0.322 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.189 -1.760 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.237 -1.699 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.374 0.409 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.382 0.123 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.251 1.303 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.564 -0.421 -8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.333 0.425 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.206 -1.330 -8.281 1.00 0.00 H new ATOM 779 N VAL A 60 -5.589 0.168 -5.755 1.00 0.00 N ATOM 780 CA VAL A 60 -4.676 1.295 -5.770 1.00 0.00 C ATOM 781 C VAL A 60 -4.994 2.099 -7.021 1.00 0.00 C ATOM 782 O VAL A 60 -4.805 1.631 -8.158 1.00 0.00 O ATOM 783 CB VAL A 60 -3.162 0.878 -5.693 1.00 0.00 C ATOM 784 CG1 VAL A 60 -2.997 -0.505 -5.094 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.444 0.943 -7.015 1.00 0.00 C ATOM 0 H VAL A 60 -5.160 -0.736 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.822 1.898 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.699 1.619 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.938 -0.761 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.410 -0.516 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.524 -1.233 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.405 0.641 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.928 0.272 -7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.479 1.963 -7.398 1.00 0.00 H new ATOM 795 N LYS A 61 -5.567 3.278 -6.775 1.00 0.00 N ATOM 796 CA LYS A 61 -6.130 4.114 -7.820 1.00 0.00 C ATOM 797 C LYS A 61 -5.031 4.597 -8.742 1.00 0.00 C ATOM 798 O LYS A 61 -5.038 4.323 -9.939 1.00 0.00 O ATOM 799 CB LYS A 61 -6.860 5.310 -7.205 1.00 0.00 C ATOM 800 CG LYS A 61 -7.855 5.951 -8.148 1.00 0.00 C ATOM 801 CD LYS A 61 -9.061 5.057 -8.310 1.00 0.00 C ATOM 802 CE LYS A 61 -10.090 5.647 -9.262 1.00 0.00 C ATOM 803 NZ LYS A 61 -9.576 5.732 -10.652 1.00 0.00 N ATOM 0 H LYS A 61 -5.651 3.676 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.844 3.525 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.380 4.985 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.127 6.056 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.162 6.923 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.389 6.126 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.742 4.083 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.522 4.892 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.992 5.035 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.373 6.642 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.352 5.994 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.827 6.452 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.189 4.810 -10.936 1.00 0.00 H new ATOM 813 N ARG A 62 -4.093 5.328 -8.160 1.00 0.00 N ATOM 814 CA ARG A 62 -2.888 5.744 -8.850 1.00 0.00 C ATOM 815 C ARG A 62 -1.748 5.905 -7.860 1.00 0.00 C ATOM 816 O ARG A 62 -1.749 6.807 -7.020 1.00 0.00 O ATOM 817 CB ARG A 62 -3.093 7.041 -9.643 1.00 0.00 C ATOM 818 CG ARG A 62 -3.635 6.802 -11.043 1.00 0.00 C ATOM 819 CD ARG A 62 -3.530 8.039 -11.919 1.00 0.00 C ATOM 820 NE ARG A 62 -4.434 9.108 -11.502 1.00 0.00 N ATOM 821 CZ ARG A 62 -5.412 9.583 -12.274 1.00 0.00 C ATOM 822 NH1 ARG A 62 -5.670 9.009 -13.444 1.00 0.00 N ATOM 823 NH2 ARG A 62 -6.139 10.614 -11.862 1.00 0.00 N ATOM 0 H ARG A 62 -4.149 5.649 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.636 4.963 -9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.781 7.688 -9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.143 7.572 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.087 5.982 -11.508 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.678 6.492 -10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.505 8.408 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.749 7.767 -12.952 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.311 9.512 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.120 8.206 -13.750 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.418 9.371 -14.036 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.949 11.042 -10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.887 10.978 -12.452 1.00 0.00 H new ATOM 834 N GLY A 63 -0.800 4.995 -7.945 1.00 0.00 N ATOM 835 CA GLY A 63 0.384 5.065 -7.134 1.00 0.00 C ATOM 836 C GLY A 63 1.613 4.804 -7.974 1.00 0.00 C ATOM 837 O GLY A 63 1.630 5.131 -9.156 1.00 0.00 O ATOM 0 H GLY A 63 -0.833 4.194 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.456 6.048 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.324 4.334 -6.328 1.00 0.00 H new ATOM 841 N PRO A 64 2.646 4.195 -7.399 1.00 0.00 N ATOM 842 CA PRO A 64 3.867 3.896 -8.121 1.00 0.00 C ATOM 843 C PRO A 64 3.695 2.709 -9.063 1.00 0.00 C ATOM 844 O PRO A 64 4.066 2.778 -10.232 1.00 0.00 O ATOM 845 CB PRO A 64 4.865 3.614 -7.011 1.00 0.00 C ATOM 846 CG PRO A 64 4.044 3.083 -5.903 1.00 0.00 C ATOM 847 CD PRO A 64 2.707 3.759 -6.006 1.00 0.00 C ATOM 0 HA PRO A 64 4.186 4.707 -8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.618 2.893 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.395 4.519 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.939 2.001 -5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.511 3.290 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.893 3.076 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.630 4.602 -5.319 1.00 0.00 H new ATOM 852 N ASN A 65 3.137 1.612 -8.560 1.00 0.00 N ATOM 853 CA ASN A 65 2.664 0.556 -9.455 1.00 0.00 C ATOM 854 C ASN A 65 1.388 1.034 -10.102 1.00 0.00 C ATOM 855 O ASN A 65 1.242 1.016 -11.323 1.00 0.00 O ATOM 856 CB ASN A 65 2.363 -0.745 -8.707 1.00 0.00 C ATOM 857 CG ASN A 65 1.929 -1.869 -9.632 1.00 0.00 C ATOM 858 OD1 ASN A 65 2.348 -1.941 -10.784 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.079 -2.752 -9.128 1.00 0.00 N ATOM 0 H ASN A 65 3.002 1.431 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 65 3.446 0.351 -10.186 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.251 -1.056 -8.157 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.579 -0.563 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.749 -3.527 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.755 -2.656 -8.166 1.00 0.00 H new ATOM 865 N ALA A 66 0.496 1.512 -9.241 1.00 0.00 N ATOM 866 CA ALA A 66 -0.858 1.920 -9.631 1.00 0.00 C ATOM 867 C ALA A 66 -1.660 0.773 -10.262 1.00 0.00 C ATOM 868 O ALA A 66 -1.100 -0.185 -10.793 1.00 0.00 O ATOM 869 CB ALA A 66 -0.802 3.105 -10.581 1.00 0.00 C ATOM 0 H ALA A 66 0.689 1.630 -8.246 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.377 2.211 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.815 3.395 -10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.307 3.943 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.244 2.828 -11.475 1.00 0.00 H new ATOM 875 N GLY A 67 -2.979 0.856 -10.159 1.00 0.00 N ATOM 876 CA GLY A 67 -3.828 -0.110 -10.821 1.00 0.00 C ATOM 877 C GLY A 67 -3.985 -1.410 -10.055 1.00 0.00 C ATOM 878 O GLY A 67 -4.669 -2.321 -10.526 1.00 0.00 O ATOM 0 H GLY A 67 -3.474 1.574 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.813 0.331 -10.976 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.417 -0.327 -11.807 1.00 0.00 H new ATOM 882 N SER A 68 -3.371 -1.517 -8.878 1.00 0.00 N ATOM 883 CA SER A 68 -3.387 -2.793 -8.165 1.00 0.00 C ATOM 884 C SER A 68 -4.617 -2.875 -7.281 1.00 0.00 C ATOM 885 O SER A 68 -5.419 -1.956 -7.262 1.00 0.00 O ATOM 886 CB SER A 68 -2.118 -2.992 -7.344 1.00 0.00 C ATOM 887 OG SER A 68 -2.033 -4.313 -6.838 1.00 0.00 O ATOM 0 H SER A 68 -2.871 -0.762 -8.409 1.00 0.00 H new ATOM 0 HA SER A 68 -3.425 -3.595 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.246 -2.780 -7.962 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.102 -2.282 -6.517 1.00 0.00 H new ATOM 0 HG SER A 68 -1.095 -4.536 -6.661 1.00 0.00 H new ATOM 892 N ARG A 69 -4.761 -3.961 -6.539 1.00 0.00 N ATOM 893 CA ARG A 69 -6.010 -4.202 -5.803 1.00 0.00 C ATOM 894 C ARG A 69 -5.915 -5.417 -4.883 1.00 0.00 C ATOM 895 O ARG A 69 -5.207 -6.378 -5.191 1.00 0.00 O ATOM 896 CB ARG A 69 -7.194 -4.383 -6.777 1.00 0.00 C ATOM 897 CG ARG A 69 -7.293 -5.760 -7.432 1.00 0.00 C ATOM 898 CD ARG A 69 -6.093 -6.080 -8.312 1.00 0.00 C ATOM 899 NE ARG A 69 -5.448 -7.330 -7.908 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.298 -8.386 -8.710 1.00 0.00 C ATOM 901 NH1 ARG A 69 -5.700 -8.328 -9.973 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.732 -9.500 -8.256 1.00 0.00 N ATOM 0 H ARG A 69 -4.049 -4.682 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.180 -3.323 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.121 -4.188 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.117 -3.630 -7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.383 -6.521 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.202 -5.808 -8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.413 -6.154 -9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.373 -5.264 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.091 -7.398 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.125 -7.474 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.584 -9.137 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.410 -9.551 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.620 -10.304 -8.874 1.00 0.00 H new ATOM 913 N PHE A 70 -6.664 -5.396 -3.777 1.00 0.00 N ATOM 914 CA PHE A 70 -6.769 -6.556 -2.920 1.00 0.00 C ATOM 915 C PHE A 70 -8.013 -7.303 -3.337 1.00 0.00 C ATOM 916 O PHE A 70 -9.091 -6.705 -3.408 1.00 0.00 O ATOM 917 CB PHE A 70 -6.925 -6.200 -1.426 1.00 0.00 C ATOM 918 CG PHE A 70 -5.873 -5.322 -0.815 1.00 0.00 C ATOM 919 CD1 PHE A 70 -4.967 -4.634 -1.590 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.820 -5.175 0.560 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.017 -3.820 -1.013 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.878 -4.355 1.148 1.00 0.00 C ATOM 923 CZ PHE A 70 -3.973 -3.674 0.357 1.00 0.00 C ATOM 0 H PHE A 70 -7.201 -4.587 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.852 -7.135 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.890 -5.711 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.959 -7.130 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.001 -4.734 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.524 -5.709 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.306 -3.296 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.849 -4.246 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.234 -3.030 0.810 1.00 0.00 H new ATOM 932 N LEU A 71 -7.861 -8.590 -3.612 1.00 0.00 N ATOM 933 CA LEU A 71 -8.964 -9.416 -4.057 1.00 0.00 C ATOM 934 C LEU A 71 -9.754 -9.896 -2.844 1.00 0.00 C ATOM 935 O LEU A 71 -9.448 -10.923 -2.250 1.00 0.00 O ATOM 936 CB LEU A 71 -8.414 -10.587 -4.890 1.00 0.00 C ATOM 937 CG LEU A 71 -9.438 -11.587 -5.453 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.564 -12.795 -4.537 1.00 0.00 C ATOM 939 CD2 LEU A 71 -10.787 -10.918 -5.683 1.00 0.00 C ATOM 0 H LEU A 71 -6.973 -9.085 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.643 -8.845 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.851 -10.172 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.706 -11.139 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.079 -11.937 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.293 -13.491 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.597 -13.290 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.893 -12.470 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.492 -11.648 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.165 -10.527 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.671 -10.100 -6.394 1.00 0.00 H new ATOM 950 N LEU A 72 -10.766 -9.143 -2.462 1.00 0.00 N ATOM 951 CA LEU A 72 -11.570 -9.516 -1.313 1.00 0.00 C ATOM 952 C LEU A 72 -12.678 -10.473 -1.749 1.00 0.00 C ATOM 953 O LEU A 72 -13.863 -10.229 -1.523 1.00 0.00 O ATOM 954 CB LEU A 72 -12.179 -8.288 -0.607 1.00 0.00 C ATOM 955 CG LEU A 72 -11.230 -7.357 0.162 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.928 -7.135 -0.561 1.00 0.00 C ATOM 957 CD2 LEU A 72 -11.907 -6.027 0.403 1.00 0.00 C ATOM 0 H LEU A 72 -11.050 -8.279 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.914 -10.010 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.695 -7.692 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.936 -8.645 0.091 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.998 -7.843 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.295 -6.470 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.421 -8.090 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.124 -6.684 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.231 -5.368 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.164 -5.571 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.814 -6.181 0.987 1.00 0.00 H new ATOM 968 N ASP A 73 -12.270 -11.547 -2.411 1.00 0.00 N ATOM 969 CA ASP A 73 -13.187 -12.594 -2.848 1.00 0.00 C ATOM 970 C ASP A 73 -12.900 -13.882 -2.100 1.00 0.00 C ATOM 971 O ASP A 73 -13.778 -14.726 -1.917 1.00 0.00 O ATOM 972 CB ASP A 73 -13.054 -12.823 -4.356 1.00 0.00 C ATOM 973 CG ASP A 73 -13.875 -13.996 -4.853 1.00 0.00 C ATOM 974 OD1 ASP A 73 -15.105 -13.844 -4.995 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.288 -15.062 -5.136 1.00 0.00 O ATOM 0 H ASP A 73 -11.296 -11.718 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.207 -12.277 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.364 -11.921 -4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.005 -12.991 -4.601 1.00 0.00 H new ATOM 979 N GLN A 74 -11.662 -14.014 -1.653 1.00 0.00 N ATOM 980 CA GLN A 74 -11.249 -15.182 -0.893 1.00 0.00 C ATOM 981 C GLN A 74 -11.557 -14.959 0.580 1.00 0.00 C ATOM 982 O GLN A 74 -12.282 -14.032 0.928 1.00 0.00 O ATOM 983 CB GLN A 74 -9.755 -15.448 -1.086 1.00 0.00 C ATOM 984 CG GLN A 74 -9.364 -15.736 -2.524 1.00 0.00 C ATOM 985 CD GLN A 74 -7.877 -15.882 -2.715 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.143 -15.323 -1.792 1.00 0.00 O flip ATOM 987 NE2 GLN A 74 -7.404 -16.532 -3.650 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.925 -13.326 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.799 -16.053 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.193 -14.583 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.463 -16.294 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.858 -16.651 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.729 -14.931 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.023 -16.949 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.394 -16.653 -3.728 1.00 0.00 H new ATOM 994 N ALA A 75 -11.025 -15.801 1.443 1.00 0.00 N ATOM 995 CA ALA A 75 -11.163 -15.573 2.872 1.00 0.00 C ATOM 996 C ALA A 75 -10.132 -14.552 3.322 1.00 0.00 C ATOM 997 O ALA A 75 -10.352 -13.804 4.278 1.00 0.00 O ATOM 998 CB ALA A 75 -11.015 -16.874 3.648 1.00 0.00 C ATOM 0 H ALA A 75 -10.500 -16.638 1.188 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.161 -15.184 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.122 -16.676 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.785 -17.577 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.031 -17.302 3.456 1.00 0.00 H new ATOM 1004 N ILE A 76 -9.003 -14.517 2.617 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.945 -13.573 2.929 1.00 0.00 C ATOM 1006 C ILE A 76 -6.915 -13.485 1.797 1.00 0.00 C ATOM 1007 O ILE A 76 -6.507 -14.500 1.232 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.289 -13.927 4.298 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -6.073 -13.039 4.625 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.908 -15.397 4.349 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.750 -13.544 4.076 1.00 0.00 C ATOM 0 H ILE A 76 -8.802 -15.132 1.828 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.386 -12.580 3.020 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.039 -13.728 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.255 -12.039 4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.989 -12.946 5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.452 -15.621 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.801 -16.009 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.198 -15.617 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.953 -12.855 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.538 -14.531 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.808 -13.609 2.989 1.00 0.00 H new ATOM 1022 N THR A 77 -6.536 -12.255 1.443 1.00 0.00 N ATOM 1023 CA THR A 77 -5.526 -12.017 0.413 1.00 0.00 C ATOM 1024 C THR A 77 -4.326 -11.256 0.974 1.00 0.00 C ATOM 1025 O THR A 77 -4.487 -10.203 1.589 1.00 0.00 O ATOM 1026 CB THR A 77 -6.089 -11.215 -0.778 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.907 -10.133 -0.325 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.887 -12.097 -1.707 1.00 0.00 C ATOM 0 H THR A 77 -6.917 -11.405 1.858 1.00 0.00 H new ATOM 0 HA THR A 77 -5.214 -13.003 0.068 1.00 0.00 H new ATOM 0 HB THR A 77 -5.237 -10.812 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.392 -9.300 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.270 -11.501 -2.535 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.247 -12.889 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.721 -12.539 -1.162 1.00 0.00 H new ATOM 1036 N SER A 78 -3.126 -11.775 0.750 1.00 0.00 N ATOM 1037 CA SER A 78 -1.909 -11.095 1.171 1.00 0.00 C ATOM 1038 C SER A 78 -1.624 -9.918 0.241 1.00 0.00 C ATOM 1039 O SER A 78 -1.506 -10.099 -0.971 1.00 0.00 O ATOM 1040 CB SER A 78 -0.740 -12.078 1.163 1.00 0.00 C ATOM 1041 OG SER A 78 -0.903 -13.074 2.152 1.00 0.00 O ATOM 0 H SER A 78 -2.970 -12.666 0.278 1.00 0.00 H new ATOM 0 HA SER A 78 -2.039 -10.714 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.661 -12.546 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.192 -11.540 1.335 1.00 0.00 H new ATOM 0 HG SER A 78 -0.142 -13.691 2.124 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.472 -8.723 0.815 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.394 -7.491 0.030 1.00 0.00 C ATOM 1048 C ALA A 79 -0.091 -6.725 0.238 1.00 0.00 C ATOM 1049 O ALA A 79 0.099 -6.102 1.279 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.558 -6.602 0.410 1.00 0.00 C ATOM 0 H ALA A 79 -1.400 -8.583 1.823 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.430 -7.773 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.514 -5.678 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.494 -7.118 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.505 -6.368 1.473 1.00 0.00 H new ATOM 1056 N GLY A 80 0.785 -6.728 -0.761 1.00 0.00 N ATOM 1057 CA GLY A 80 2.056 -6.046 -0.632 1.00 0.00 C ATOM 1058 C GLY A 80 3.030 -6.492 -1.698 1.00 0.00 C ATOM 1059 O GLY A 80 2.631 -6.815 -2.817 1.00 0.00 O ATOM 0 H GLY A 80 0.636 -7.191 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.902 -4.969 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.478 -6.242 0.354 1.00 0.00 H new ATOM 1063 N ARG A 81 4.303 -6.518 -1.355 1.00 0.00 N ATOM 1064 CA ARG A 81 5.306 -7.073 -2.234 1.00 0.00 C ATOM 1065 C ARG A 81 5.125 -8.576 -2.326 1.00 0.00 C ATOM 1066 O ARG A 81 5.376 -9.315 -1.375 1.00 0.00 O ATOM 1067 CB ARG A 81 6.707 -6.682 -1.750 1.00 0.00 C ATOM 1068 CG ARG A 81 7.835 -7.608 -2.215 1.00 0.00 C ATOM 1069 CD ARG A 81 8.147 -8.720 -1.216 1.00 0.00 C ATOM 1070 NE ARG A 81 8.853 -8.227 -0.037 1.00 0.00 N ATOM 1071 CZ ARG A 81 9.460 -9.023 0.848 1.00 0.00 C ATOM 1072 NH1 ARG A 81 9.410 -10.343 0.700 1.00 0.00 N ATOM 1073 NH2 ARG A 81 10.130 -8.503 1.865 1.00 0.00 N ATOM 0 H ARG A 81 4.665 -6.160 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 81 5.189 -6.664 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.924 -5.670 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.704 -6.656 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.561 -8.053 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.735 -7.017 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.218 -9.198 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.751 -9.485 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 81 8.885 -7.220 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.908 -10.749 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.874 -10.950 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.184 -7.490 1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.592 -9.115 2.538 1.00 0.00 H new ATOM 1084 N HIS A 82 4.644 -9.033 -3.456 1.00 0.00 N ATOM 1085 CA HIS A 82 4.326 -10.428 -3.586 1.00 0.00 C ATOM 1086 C HIS A 82 4.820 -11.000 -4.891 1.00 0.00 C ATOM 1087 O HIS A 82 4.402 -10.579 -5.969 1.00 0.00 O ATOM 1088 CB HIS A 82 2.825 -10.646 -3.455 1.00 0.00 C ATOM 1089 CG HIS A 82 2.351 -10.442 -2.069 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.352 -9.691 -1.584 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.937 -11.049 -0.991 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.339 -9.858 -0.227 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.299 -10.690 0.101 1.00 0.00 N flip ATOM 0 H HIS A 82 4.467 -8.467 -4.286 1.00 0.00 H new ATOM 0 HA HIS A 82 4.838 -10.953 -2.779 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.300 -9.961 -4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.577 -11.657 -3.777 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.719 -9.104 -2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.786 -11.715 -1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.653 -9.384 0.460 1.00 0.00 H new ATOM 1133 N ASP A 86 -1.520 -12.573 -3.902 1.00 0.00 N ATOM 1134 CA ASP A 86 -2.870 -12.112 -4.228 1.00 0.00 C ATOM 1135 C ASP A 86 -2.827 -10.696 -4.794 1.00 0.00 C ATOM 1136 O ASP A 86 -3.262 -10.438 -5.918 1.00 0.00 O ATOM 1137 CB ASP A 86 -3.750 -12.115 -2.967 1.00 0.00 C ATOM 1138 CG ASP A 86 -3.697 -13.420 -2.188 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -4.499 -14.330 -2.477 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -2.861 -13.528 -1.264 1.00 0.00 O ATOM 0 HA ASP A 86 -3.289 -12.789 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.437 -11.300 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.782 -11.915 -3.255 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.304 -9.780 -3.991 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.224 -8.368 -4.351 1.00 0.00 C ATOM 1146 C ILE A 87 -0.766 -7.903 -4.342 1.00 0.00 C ATOM 1147 O ILE A 87 -0.102 -7.882 -3.305 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.125 -7.518 -3.407 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.484 -6.193 -2.995 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.513 -8.312 -2.181 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.724 -5.073 -3.972 1.00 0.00 C ATOM 0 H ILE A 87 -1.922 -9.994 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.601 -8.229 -5.364 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.019 -7.272 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.871 -5.901 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.410 -6.339 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.142 -7.700 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.063 -9.203 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.614 -8.606 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.239 -4.166 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.312 -5.343 -4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.795 -4.898 -4.069 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.273 -7.578 -5.530 1.00 0.00 N ATOM 1163 CA PHE A 88 1.117 -7.226 -5.745 1.00 0.00 C ATOM 1164 C PHE A 88 1.258 -5.721 -5.921 1.00 0.00 C ATOM 1165 O PHE A 88 0.576 -5.118 -6.748 1.00 0.00 O ATOM 1166 CB PHE A 88 1.616 -7.929 -7.005 1.00 0.00 C ATOM 1167 CG PHE A 88 0.955 -9.253 -7.279 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.272 -9.306 -7.920 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.555 -10.440 -6.894 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.887 -10.513 -8.172 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.944 -11.654 -7.144 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.280 -11.691 -7.782 1.00 0.00 C ATOM 0 H PHE A 88 -0.837 -7.552 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 88 1.705 -7.537 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.456 -7.273 -7.860 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.691 -8.084 -6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.753 -8.389 -8.226 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.511 -10.417 -6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.843 -10.538 -8.674 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.423 -12.573 -6.841 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.761 -12.638 -7.976 1.00 0.00 H new ATOM 1181 N LEU A 89 2.137 -5.118 -5.143 1.00 0.00 N ATOM 1182 CA LEU A 89 2.360 -3.683 -5.214 1.00 0.00 C ATOM 1183 C LEU A 89 3.764 -3.389 -5.699 1.00 0.00 C ATOM 1184 O LEU A 89 4.647 -3.066 -4.898 1.00 0.00 O ATOM 1185 CB LEU A 89 2.138 -3.031 -3.847 1.00 0.00 C ATOM 1186 CG LEU A 89 0.697 -3.017 -3.355 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.225 -2.443 -4.416 1.00 0.00 C ATOM 1188 CD2 LEU A 89 0.266 -4.407 -2.947 1.00 0.00 C ATOM 0 H LEU A 89 2.711 -5.600 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 89 1.644 -3.265 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.750 -3.553 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.499 -2.003 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 89 0.634 -2.374 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.250 -2.442 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.078 -1.422 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.166 -3.053 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.766 -4.380 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.342 -5.077 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.911 -4.767 -2.146 1.00 0.00 H new ATOM 1199 N ASP A 90 3.975 -3.552 -7.009 1.00 0.00 N ATOM 1200 CA ASP A 90 5.287 -3.333 -7.634 1.00 0.00 C ATOM 1201 C ASP A 90 6.280 -4.389 -7.132 1.00 0.00 C ATOM 1202 O ASP A 90 7.436 -4.431 -7.544 1.00 0.00 O ATOM 1203 CB ASP A 90 5.783 -1.910 -7.322 1.00 0.00 C ATOM 1204 CG ASP A 90 6.893 -1.427 -8.237 1.00 0.00 C ATOM 1205 OD1 ASP A 90 6.582 -0.821 -9.285 1.00 0.00 O ATOM 1206 OD2 ASP A 90 8.077 -1.615 -7.898 1.00 0.00 O ATOM 0 H ASP A 90 3.247 -3.838 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 90 5.200 -3.432 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.942 -1.220 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.136 -1.878 -6.291 1.00 0.00 H new ATOM 1210 N ASP A 91 5.763 -5.251 -6.245 1.00 0.00 N ATOM 1211 CA ASP A 91 6.503 -6.302 -5.541 1.00 0.00 C ATOM 1212 C ASP A 91 7.891 -5.858 -5.072 1.00 0.00 C ATOM 1213 O ASP A 91 8.801 -6.676 -4.948 1.00 0.00 O ATOM 1214 CB ASP A 91 6.581 -7.605 -6.358 1.00 0.00 C ATOM 1215 CG ASP A 91 7.350 -7.495 -7.665 1.00 0.00 C ATOM 1216 OD1 ASP A 91 6.734 -7.139 -8.693 1.00 0.00 O ATOM 1217 OD2 ASP A 91 8.562 -7.809 -7.680 1.00 0.00 O ATOM 0 H ASP A 91 4.776 -5.232 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 91 5.925 -6.508 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.046 -8.375 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.567 -7.941 -6.577 1.00 0.00 H new ATOM 1221 N VAL A 92 8.038 -4.571 -4.775 1.00 0.00 N ATOM 1222 CA VAL A 92 9.257 -4.066 -4.163 1.00 0.00 C ATOM 1223 C VAL A 92 9.050 -2.647 -3.616 1.00 0.00 C ATOM 1224 O VAL A 92 9.711 -1.703 -4.025 1.00 0.00 O ATOM 1225 CB VAL A 92 10.467 -4.127 -5.144 1.00 0.00 C ATOM 1226 CG1 VAL A 92 10.265 -3.254 -6.369 1.00 0.00 C ATOM 1227 CG2 VAL A 92 11.773 -3.792 -4.435 1.00 0.00 C ATOM 0 H VAL A 92 7.327 -3.861 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 92 9.495 -4.718 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 92 10.531 -5.156 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.136 -3.333 -7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.378 -3.585 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.136 -2.217 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.597 -3.843 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.714 -2.786 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.944 -4.507 -3.630 1.00 0.00 H new ATOM 1237 N THR A 93 8.096 -2.495 -2.695 1.00 0.00 N ATOM 1238 CA THR A 93 7.948 -1.232 -1.961 1.00 0.00 C ATOM 1239 C THR A 93 7.525 -1.492 -0.508 1.00 0.00 C ATOM 1240 O THR A 93 7.597 -0.607 0.344 1.00 0.00 O ATOM 1241 CB THR A 93 6.896 -0.285 -2.597 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.592 -0.665 -2.146 1.00 0.00 O ATOM 1243 CG2 THR A 93 6.904 -0.323 -4.127 1.00 0.00 C ATOM 0 H THR A 93 7.423 -3.218 -2.441 1.00 0.00 H new ATOM 0 HA THR A 93 8.925 -0.751 -2.003 1.00 0.00 H new ATOM 0 HB THR A 93 7.153 0.728 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.979 -0.699 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.147 0.360 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.885 -0.021 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.686 -1.335 -4.467 1.00 0.00 H new ATOM 1251 N VAL A 94 7.090 -2.715 -0.231 1.00 0.00 N ATOM 1252 CA VAL A 94 6.457 -3.042 1.042 1.00 0.00 C ATOM 1253 C VAL A 94 6.900 -4.422 1.532 1.00 0.00 C ATOM 1254 O VAL A 94 7.074 -5.338 0.733 1.00 0.00 O ATOM 1255 CB VAL A 94 4.911 -2.964 0.901 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.465 -3.404 -0.487 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.205 -3.793 1.962 1.00 0.00 C ATOM 0 H VAL A 94 7.165 -3.502 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 94 6.772 -2.313 1.789 1.00 0.00 H new ATOM 0 HB VAL A 94 4.631 -1.921 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.379 -3.340 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.917 -2.755 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.779 -4.433 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.126 -3.712 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.505 -4.837 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.477 -3.426 2.951 1.00 0.00 H new ATOM 1267 N SER A 95 7.097 -4.548 2.848 1.00 0.00 N ATOM 1268 CA SER A 95 7.642 -5.758 3.462 1.00 0.00 C ATOM 1269 C SER A 95 6.710 -6.960 3.292 1.00 0.00 C ATOM 1270 O SER A 95 5.996 -7.343 4.218 1.00 0.00 O ATOM 1271 CB SER A 95 7.883 -5.491 4.946 1.00 0.00 C ATOM 1272 OG SER A 95 8.516 -4.234 5.131 1.00 0.00 O ATOM 0 H SER A 95 6.881 -3.810 3.518 1.00 0.00 H new ATOM 0 HA SER A 95 8.578 -6.005 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.935 -5.509 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.503 -6.282 5.367 1.00 0.00 H new ATOM 0 HG SER A 95 8.661 -4.079 6.088 1.00 0.00 H new ATOM 1277 N ARG A 96 6.744 -7.551 2.097 1.00 0.00 N ATOM 1278 CA ARG A 96 5.888 -8.680 1.729 1.00 0.00 C ATOM 1279 C ARG A 96 4.430 -8.257 1.620 1.00 0.00 C ATOM 1280 O ARG A 96 3.839 -8.353 0.560 1.00 0.00 O ATOM 1281 CB ARG A 96 6.026 -9.854 2.693 1.00 0.00 C ATOM 1282 CG ARG A 96 5.688 -11.177 2.035 1.00 0.00 C ATOM 1283 CD ARG A 96 4.348 -11.737 2.467 1.00 0.00 C ATOM 1284 NE ARG A 96 3.901 -12.795 1.568 1.00 0.00 N ATOM 1285 CZ ARG A 96 3.892 -14.089 1.891 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.380 -14.480 3.062 1.00 0.00 N ATOM 1287 NH2 ARG A 96 3.424 -14.991 1.033 1.00 0.00 N ATOM 0 H ARG A 96 7.373 -7.257 1.350 1.00 0.00 H new ATOM 0 HA ARG A 96 6.229 -9.017 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.046 -9.890 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.370 -9.698 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.688 -11.047 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.469 -11.901 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.425 -12.127 3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.607 -10.938 2.488 1.00 0.00 H new ATOM 0 HE ARG A 96 3.576 -12.530 0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.760 -13.792 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.375 -15.469 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.070 -14.694 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.419 -15.980 1.284 1.00 0.00 H new ATOM 1298 N ARG A 97 3.833 -7.814 2.706 1.00 0.00 N ATOM 1299 CA ARG A 97 2.469 -7.314 2.637 1.00 0.00 C ATOM 1300 C ARG A 97 2.173 -6.329 3.749 1.00 0.00 C ATOM 1301 O ARG A 97 2.488 -6.562 4.910 1.00 0.00 O ATOM 1302 CB ARG A 97 1.443 -8.464 2.633 1.00 0.00 C ATOM 1303 CG ARG A 97 1.126 -9.095 3.980 1.00 0.00 C ATOM 1304 CD ARG A 97 2.229 -10.014 4.466 1.00 0.00 C ATOM 1305 NE ARG A 97 1.711 -11.020 5.385 1.00 0.00 N ATOM 1306 CZ ARG A 97 2.438 -11.649 6.308 1.00 0.00 C ATOM 1307 NH1 ARG A 97 3.733 -11.391 6.440 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.859 -12.535 7.106 1.00 0.00 N ATOM 0 H ARG A 97 4.258 -7.788 3.633 1.00 0.00 H new ATOM 0 HA ARG A 97 2.376 -6.780 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.513 -8.090 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.809 -9.246 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.963 -8.308 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.196 -9.658 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.699 -10.504 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.002 -9.428 4.963 1.00 0.00 H new ATOM 0 HE ARG A 97 0.722 -11.260 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.181 -10.706 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.280 -11.878 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.863 -12.732 7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.410 -13.020 7.814 1.00 0.00 H new ATOM 1319 N HIS A 98 1.566 -5.215 3.348 1.00 0.00 N ATOM 1320 CA HIS A 98 1.141 -4.183 4.279 1.00 0.00 C ATOM 1321 C HIS A 98 0.102 -4.757 5.193 1.00 0.00 C ATOM 1322 O HIS A 98 0.096 -4.533 6.395 1.00 0.00 O ATOM 1323 CB HIS A 98 0.561 -2.976 3.505 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.901 -2.662 3.777 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.306 -1.869 4.825 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -2.052 -3.023 3.123 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.620 -1.755 4.816 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -3.096 -2.441 3.797 1.00 0.00 N ATOM 0 H HIS A 98 1.357 -5.006 2.372 1.00 0.00 H new ATOM 0 HA HIS A 98 1.995 -3.839 4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.154 -2.094 3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.682 -3.160 2.437 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.684 -1.434 5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.123 -3.647 2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.208 -1.193 5.526 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.781 -5.485 4.573 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.872 -6.095 5.241 1.00 0.00 C ATOM 1338 C ALA A 99 -2.307 -7.268 4.432 1.00 0.00 C ATOM 1339 O ALA A 99 -1.797 -7.503 3.335 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.028 -5.124 5.410 1.00 0.00 C ATOM 0 H ALA A 99 -0.754 -5.669 3.570 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.560 -6.407 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.849 -5.622 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.699 -4.265 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.366 -4.787 4.430 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.227 -7.997 4.966 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.872 -9.030 4.225 1.00 0.00 C ATOM 1348 C GLU A 100 -5.357 -8.944 4.497 1.00 0.00 C ATOM 1349 O GLU A 100 -5.772 -8.792 5.651 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.246 -10.394 4.558 1.00 0.00 C ATOM 1351 CG GLU A 100 -2.897 -10.579 6.022 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.083 -11.834 6.262 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -0.888 -11.861 5.891 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -2.634 -12.799 6.824 1.00 0.00 O ATOM 0 H GLU A 100 -3.554 -7.895 5.927 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.729 -8.906 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.938 -11.181 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.342 -10.521 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.337 -9.712 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.814 -10.625 6.609 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.128 -8.919 3.407 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.573 -8.807 3.459 1.00 0.00 C ATOM 1361 C PHE A 101 -8.094 -9.905 4.334 1.00 0.00 C ATOM 1362 O PHE A 101 -8.237 -11.039 3.911 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.165 -8.880 2.037 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.474 -9.625 1.952 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.588 -9.207 2.664 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.571 -10.772 1.182 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.770 -9.917 2.600 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.747 -11.486 1.119 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.850 -11.056 1.827 1.00 0.00 C ATOM 0 H PHE A 101 -5.756 -8.977 2.459 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.870 -7.845 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.311 -7.866 1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.442 -9.361 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.530 -8.318 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.712 -11.112 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.633 -9.580 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.805 -12.381 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.775 -11.611 1.776 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.317 -9.595 5.575 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.745 -10.612 6.462 1.00 0.00 C ATOM 1380 C ARG A 102 -10.248 -10.535 6.630 1.00 0.00 C ATOM 1381 O ARG A 102 -10.763 -9.609 7.261 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.035 -10.484 7.796 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.067 -11.752 8.618 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.012 -11.700 9.697 1.00 0.00 C ATOM 1385 NE ARG A 102 -5.701 -11.347 9.150 1.00 0.00 N ATOM 1386 CZ ARG A 102 -4.562 -11.438 9.846 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -4.587 -11.832 11.115 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -3.405 -11.118 9.284 1.00 0.00 N ATOM 0 H ARG A 102 -8.211 -8.666 5.982 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.491 -11.587 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.997 -10.200 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.494 -9.678 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.052 -11.878 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.898 -12.616 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.300 -10.970 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.951 -12.668 10.194 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.653 -11.014 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.475 -12.065 11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.718 -11.901 11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.379 -10.800 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.540 -11.190 9.820 1.00 0.00 H new ATOM 1399 N LEU A 103 -10.959 -11.466 6.019 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.399 -11.483 6.143 1.00 0.00 C ATOM 1401 C LEU A 103 -12.788 -12.120 7.464 1.00 0.00 C ATOM 1402 O LEU A 103 -12.707 -13.337 7.643 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.056 -12.207 4.964 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.577 -11.996 4.833 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -15.040 -12.261 3.414 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.337 -12.888 5.790 1.00 0.00 C ATOM 0 H LEU A 103 -10.567 -12.209 5.441 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.762 -10.455 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.578 -11.875 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.860 -13.275 5.059 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.784 -10.956 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.117 -12.105 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.532 -11.579 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.805 -13.290 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.407 -12.717 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.111 -13.932 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.041 -12.659 6.814 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.199 -11.276 8.386 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.641 -11.716 9.692 1.00 0.00 C ATOM 1419 C GLU A 104 -14.990 -11.090 9.983 1.00 0.00 C ATOM 1420 O GLU A 104 -15.202 -9.909 9.706 1.00 0.00 O ATOM 1421 CB GLU A 104 -12.625 -11.352 10.785 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.272 -12.034 10.616 1.00 0.00 C ATOM 1423 CD GLU A 104 -10.370 -11.877 11.827 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -10.547 -12.639 12.804 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -9.472 -11.011 11.805 1.00 0.00 O ATOM 0 H GLU A 104 -13.236 -10.266 8.251 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.728 -12.802 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.480 -10.272 10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.038 -11.621 11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.429 -13.095 10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.770 -11.621 9.741 1.00 0.00 H new ATOM 1430 N ASN A 105 -15.907 -11.897 10.503 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.282 -11.469 10.756 1.00 0.00 C ATOM 1432 C ASN A 105 -17.960 -11.080 9.446 1.00 0.00 C ATOM 1433 O ASN A 105 -18.786 -10.169 9.407 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.337 -10.300 11.753 1.00 0.00 C ATOM 1435 CG ASN A 105 -16.773 -10.662 13.116 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.471 -11.218 13.964 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -15.515 -10.322 13.347 1.00 0.00 N ATOM 0 H ASN A 105 -15.721 -12.866 10.762 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.816 -12.308 11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.780 -9.456 11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.371 -9.974 11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.092 -10.520 14.254 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -14.969 -9.862 12.618 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.578 -11.783 8.372 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.133 -11.576 7.024 1.00 0.00 C ATOM 1445 C ASN A 106 -17.668 -10.258 6.416 1.00 0.00 C ATOM 1446 O ASN A 106 -18.079 -9.896 5.315 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.661 -11.605 7.036 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.230 -12.897 7.589 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -19.645 -13.971 7.427 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -21.363 -12.799 8.265 1.00 0.00 N ATOM 0 H ASN A 106 -16.871 -12.517 8.412 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.762 -12.399 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.029 -10.769 7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.029 -11.459 6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.785 -13.632 8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -21.814 -11.891 8.375 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.798 -9.556 7.119 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.358 -8.246 6.688 1.00 0.00 C ATOM 1458 C GLU A 107 -14.964 -8.333 6.094 1.00 0.00 C ATOM 1459 O GLU A 107 -14.138 -9.122 6.552 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.343 -7.279 7.872 1.00 0.00 C ATOM 1461 CG GLU A 107 -17.650 -7.220 8.654 1.00 0.00 C ATOM 1462 CD GLU A 107 -18.791 -6.615 7.865 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -18.952 -5.377 7.907 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -19.547 -7.368 7.225 1.00 0.00 O ATOM 0 H GLU A 107 -16.382 -9.875 7.994 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.052 -7.880 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.540 -7.568 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.107 -6.280 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.926 -8.228 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -17.496 -6.638 9.562 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.705 -7.527 5.080 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.377 -7.458 4.495 1.00 0.00 C ATOM 1471 C PHE A 108 -12.586 -6.364 5.201 1.00 0.00 C ATOM 1472 O PHE A 108 -13.042 -5.222 5.289 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.441 -7.176 2.987 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.745 -7.563 2.332 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.942 -8.841 1.821 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.775 -6.640 2.224 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -16.137 -9.183 1.219 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.970 -6.980 1.621 1.00 0.00 C ATOM 1479 CZ PHE A 108 -17.152 -8.254 1.121 1.00 0.00 C ATOM 0 H PHE A 108 -15.394 -6.913 4.645 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.885 -8.422 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.267 -6.113 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.629 -7.712 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.152 -9.574 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.641 -5.643 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.277 -10.179 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.762 -6.250 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 108 -18.088 -8.523 0.654 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.414 -6.713 5.718 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.633 -5.781 6.528 1.00 0.00 C ATOM 1490 C ASN A 109 -9.186 -5.729 6.064 1.00 0.00 C ATOM 1491 O ASN A 109 -8.722 -6.623 5.355 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.654 -6.215 7.999 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.058 -6.384 8.540 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.644 -5.452 9.083 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -12.603 -7.582 8.399 1.00 0.00 N ATOM 0 H ASN A 109 -10.984 -7.629 5.593 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.082 -4.794 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.113 -7.156 8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.125 -5.475 8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.545 -7.758 8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.081 -8.329 7.941 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.468 -4.688 6.476 1.00 0.00 N ATOM 1502 CA VAL A 110 -7.027 -4.657 6.290 1.00 0.00 C ATOM 1503 C VAL A 110 -6.368 -4.916 7.639 1.00 0.00 C ATOM 1504 O VAL A 110 -6.689 -4.262 8.626 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.497 -3.306 5.683 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.598 -2.529 4.988 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -5.819 -2.409 6.715 1.00 0.00 C ATOM 0 H VAL A 110 -8.858 -3.865 6.935 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.770 -5.429 5.564 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.746 -3.599 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.190 -1.603 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.011 -3.129 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.386 -2.296 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.476 -1.494 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.530 -2.159 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.966 -2.932 7.148 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.512 -5.919 7.704 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.758 -6.166 8.922 1.00 0.00 C ATOM 1519 C VAL A 111 -3.302 -5.804 8.707 1.00 0.00 C ATOM 1520 O VAL A 111 -2.590 -6.498 7.984 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.864 -7.636 9.373 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.908 -7.915 10.523 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -6.293 -7.963 9.773 1.00 0.00 C ATOM 0 H VAL A 111 -5.322 -6.568 6.941 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.185 -5.543 9.708 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.584 -8.276 8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.998 -8.958 10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.885 -7.718 10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.154 -7.269 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.353 -9.004 10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.598 -7.316 10.595 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.955 -7.804 8.922 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.865 -4.733 9.356 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.507 -4.225 9.170 1.00 0.00 C ATOM 1535 C ASP A 112 -0.503 -5.217 9.747 1.00 0.00 C ATOM 1536 O ASP A 112 -0.613 -5.612 10.910 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.334 -2.862 9.843 1.00 0.00 C ATOM 1538 CG ASP A 112 0.053 -2.278 9.631 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.644 -2.508 8.554 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.549 -1.570 10.533 1.00 0.00 O ATOM 0 H ASP A 112 -3.429 -4.198 10.016 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.329 -4.104 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.079 -2.170 9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.523 -2.962 10.912 1.00 0.00 H new ATOM 1544 N VAL A 113 0.458 -5.636 8.936 1.00 0.00 N ATOM 1545 CA VAL A 113 1.408 -6.661 9.351 1.00 0.00 C ATOM 1546 C VAL A 113 2.848 -6.281 9.012 1.00 0.00 C ATOM 1547 O VAL A 113 3.780 -6.715 9.691 1.00 0.00 O ATOM 1548 CB VAL A 113 1.082 -8.032 8.715 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.165 -8.639 9.341 1.00 0.00 C ATOM 1550 CG2 VAL A 113 0.904 -7.899 7.213 1.00 0.00 C ATOM 0 H VAL A 113 0.601 -5.284 7.989 1.00 0.00 H new ATOM 0 HA VAL A 113 1.313 -6.738 10.434 1.00 0.00 H new ATOM 0 HB VAL A 113 1.923 -8.698 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.373 -9.603 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.004 -8.779 10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.012 -7.971 9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.675 -8.875 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.086 -7.210 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.823 -7.516 6.770 1.00 0.00 H new ATOM 1560 N GLY A 114 3.038 -5.479 7.970 1.00 0.00 N ATOM 1561 CA GLY A 114 4.383 -5.097 7.593 1.00 0.00 C ATOM 1562 C GLY A 114 4.455 -4.355 6.274 1.00 0.00 C ATOM 1563 O GLY A 114 4.733 -4.941 5.231 1.00 0.00 O ATOM 0 H GLY A 114 2.295 -5.092 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.807 -4.470 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.002 -5.992 7.531 1.00 0.00 H new ATOM 1567 N SER A 115 4.212 -3.061 6.318 1.00 0.00 N ATOM 1568 CA SER A 115 4.342 -2.224 5.143 1.00 0.00 C ATOM 1569 C SER A 115 5.565 -1.334 5.291 1.00 0.00 C ATOM 1570 O SER A 115 5.640 -0.579 6.257 1.00 0.00 O ATOM 1571 CB SER A 115 3.083 -1.378 4.971 1.00 0.00 C ATOM 1572 OG SER A 115 3.199 -0.475 3.885 1.00 0.00 O ATOM 0 H SER A 115 3.922 -2.564 7.160 1.00 0.00 H new ATOM 0 HA SER A 115 4.464 -2.849 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.225 -2.031 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.892 -0.821 5.888 1.00 0.00 H new ATOM 0 HG SER A 115 2.940 0.424 4.178 1.00 0.00 H new ATOM 1577 N LEU A 116 6.533 -1.433 4.375 1.00 0.00 N ATOM 1578 CA LEU A 116 7.820 -0.764 4.582 1.00 0.00 C ATOM 1579 C LEU A 116 7.677 0.731 4.891 1.00 0.00 C ATOM 1580 O LEU A 116 8.154 1.191 5.931 1.00 0.00 O ATOM 1581 CB LEU A 116 8.724 -0.952 3.376 1.00 0.00 C ATOM 1582 CG LEU A 116 10.095 -0.303 3.513 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.850 -0.888 4.699 1.00 0.00 C ATOM 1584 CD2 LEU A 116 10.878 -0.491 2.238 1.00 0.00 C ATOM 0 H LEU A 116 6.454 -1.957 3.503 1.00 0.00 H new ATOM 0 HA LEU A 116 8.269 -1.235 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.856 -2.019 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.227 -0.542 2.497 1.00 0.00 H new ATOM 0 HG LEU A 116 9.964 0.764 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.827 -0.411 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.284 -0.712 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.981 -1.960 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.858 -0.025 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.001 -1.556 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.341 -0.028 1.410 1.00 0.00 H new ATOM 1595 N ASN A 117 7.014 1.482 4.007 1.00 0.00 N ATOM 1596 CA ASN A 117 6.780 2.909 4.250 1.00 0.00 C ATOM 1597 C ASN A 117 5.900 3.082 5.489 1.00 0.00 C ATOM 1598 O ASN A 117 6.053 4.030 6.259 1.00 0.00 O ATOM 1599 CB ASN A 117 6.082 3.565 3.060 1.00 0.00 C ATOM 1600 CG ASN A 117 4.593 3.725 3.280 1.00 0.00 C ATOM 1601 OD1 ASN A 117 3.809 2.734 2.880 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 4.142 4.735 3.803 1.00 0.00 N flip ATOM 0 H ASN A 117 6.634 1.132 3.128 1.00 0.00 H new ATOM 0 HA ASN A 117 7.748 3.387 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.526 4.543 2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.252 2.964 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.772 5.480 4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.136 4.832 3.942 1.00 0.00 H new ATOM 1608 N GLY A 118 4.979 2.137 5.661 1.00 0.00 N ATOM 1609 CA GLY A 118 3.959 2.249 6.675 1.00 0.00 C ATOM 1610 C GLY A 118 2.568 1.953 6.126 1.00 0.00 C ATOM 1611 O GLY A 118 2.381 1.786 4.898 1.00 0.00 O ATOM 0 H GLY A 118 4.927 1.285 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.181 1.559 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.976 3.254 7.096 1.00 0.00 H new ATOM 1615 N THR A 119 1.613 1.823 7.037 1.00 0.00 N ATOM 1616 CA THR A 119 0.212 1.650 6.689 1.00 0.00 C ATOM 1617 C THR A 119 -0.606 2.877 7.092 1.00 0.00 C ATOM 1618 O THR A 119 -0.697 3.206 8.271 1.00 0.00 O ATOM 1619 CB THR A 119 -0.374 0.395 7.368 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.159 -0.783 6.746 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.897 0.375 7.296 1.00 0.00 C ATOM 0 H THR A 119 1.790 1.835 8.041 1.00 0.00 H new ATOM 0 HA THR A 119 0.156 1.526 5.607 1.00 0.00 H new ATOM 0 HB THR A 119 -0.091 0.418 8.420 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.680 -1.292 7.402 1.00 0.00 H new ATOM 0 HG21 THR A 119 -2.273 -0.524 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 119 -2.297 1.255 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 119 -2.212 0.379 6.253 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.194 3.551 6.117 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.057 4.694 6.394 1.00 0.00 C ATOM 1631 C TYR A 120 -3.404 4.529 5.703 1.00 0.00 C ATOM 1632 O TYR A 120 -3.507 4.649 4.493 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.389 6.000 5.950 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.468 6.601 6.992 1.00 0.00 C ATOM 1635 CD1 TYR A 120 0.742 6.003 7.320 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -0.818 7.774 7.648 1.00 0.00 C ATOM 1637 CE1 TYR A 120 1.577 6.558 8.272 1.00 0.00 C ATOM 1638 CE2 TYR A 120 0.011 8.334 8.601 1.00 0.00 C ATOM 1639 CZ TYR A 120 1.206 7.723 8.909 1.00 0.00 C ATOM 1640 OH TYR A 120 2.034 8.278 9.858 1.00 0.00 O ATOM 0 H TYR A 120 -1.091 3.329 5.127 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.222 4.740 7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.820 5.815 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.163 6.726 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.035 5.090 6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.754 8.257 7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.515 6.081 8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.277 9.246 9.102 1.00 0.00 H new ATOM 0 HH TYR A 120 1.626 9.097 10.210 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.431 4.238 6.480 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.768 4.044 5.942 1.00 0.00 C ATOM 1651 C VAL A 121 -6.596 5.292 6.191 1.00 0.00 C ATOM 1652 O VAL A 121 -6.986 5.565 7.324 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.461 2.823 6.587 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.771 2.490 5.888 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.535 1.629 6.562 1.00 0.00 C ATOM 0 H VAL A 121 -4.365 4.130 7.492 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.684 3.858 4.871 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.693 3.076 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.230 1.626 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.446 3.343 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.576 2.262 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.032 0.773 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.277 1.390 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.627 1.861 7.119 1.00 0.00 H new ATOM 1665 N ASN A 122 -6.853 6.038 5.126 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.531 7.328 5.211 1.00 0.00 C ATOM 1667 C ASN A 122 -6.656 8.307 5.981 1.00 0.00 C ATOM 1668 O ASN A 122 -7.125 9.048 6.845 1.00 0.00 O ATOM 1669 CB ASN A 122 -8.913 7.195 5.868 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.785 6.157 5.187 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.509 6.455 4.235 1.00 0.00 O ATOM 1672 ND2 ASN A 122 -9.714 4.932 5.680 1.00 0.00 N ATOM 0 H ASN A 122 -6.598 5.767 4.176 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.692 7.705 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.788 6.927 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.418 8.161 5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.274 4.184 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -9.099 4.735 6.470 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.366 8.288 5.640 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.341 9.114 6.277 1.00 0.00 C ATOM 1680 C ARG A 123 -4.148 8.789 7.767 1.00 0.00 C ATOM 1681 O ARG A 123 -3.500 9.550 8.487 1.00 0.00 O ATOM 1682 CB ARG A 123 -4.642 10.608 6.099 1.00 0.00 C ATOM 1683 CG ARG A 123 -4.992 10.996 4.670 1.00 0.00 C ATOM 1684 CD ARG A 123 -4.441 12.362 4.306 1.00 0.00 C ATOM 1685 NE ARG A 123 -3.000 12.317 4.079 1.00 0.00 N ATOM 1686 CZ ARG A 123 -2.272 13.348 3.665 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -2.839 14.531 3.459 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -0.972 13.192 3.450 1.00 0.00 N ATOM 0 H ARG A 123 -4.999 7.688 4.901 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.406 8.875 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.469 10.883 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -3.775 11.185 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.595 10.249 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -6.075 10.997 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.940 12.729 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.662 13.069 5.106 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.519 11.434 4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.839 14.652 3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.274 15.319 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.535 12.283 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -0.409 13.981 3.132 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.693 7.668 8.239 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.450 7.232 9.611 1.00 0.00 C ATOM 1701 C GLU A 124 -4.109 5.743 9.655 1.00 0.00 C ATOM 1702 O GLU A 124 -4.778 4.915 9.039 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.651 7.528 10.517 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.930 6.825 10.104 1.00 0.00 C ATOM 1705 CD GLU A 124 -8.012 6.901 11.160 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -8.315 8.014 11.639 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.565 5.839 11.521 1.00 0.00 O ATOM 0 H GLU A 124 -5.299 7.052 7.697 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.598 7.798 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.403 7.236 11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.828 8.604 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.300 7.268 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.711 5.779 9.890 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.035 5.386 10.363 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.599 4.000 10.492 1.00 0.00 C ATOM 1714 C PRO A 125 -3.580 3.159 11.301 1.00 0.00 C ATOM 1715 O PRO A 125 -3.892 3.494 12.442 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.257 4.096 11.235 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.869 5.534 11.178 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.149 6.308 11.071 1.00 0.00 C ATOM 0 HA PRO A 125 -2.526 3.515 9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.355 3.757 12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.502 3.467 10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.313 5.823 12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.223 5.729 10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.543 6.573 12.052 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.013 7.239 10.521 1.00 0.00 H new ATOM 1723 N VAL A 126 -4.077 2.075 10.713 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.938 1.155 11.442 1.00 0.00 C ATOM 1725 C VAL A 126 -4.320 -0.235 11.429 1.00 0.00 C ATOM 1726 O VAL A 126 -3.409 -0.508 10.646 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.357 1.089 10.837 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.970 2.478 10.719 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -6.331 0.392 9.491 1.00 0.00 C ATOM 0 H VAL A 126 -3.900 1.815 9.743 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.027 1.523 12.464 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.985 0.507 11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.969 2.400 10.290 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.034 2.932 11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.346 3.098 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -7.340 0.355 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.682 0.941 8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.952 -0.623 9.614 1.00 0.00 H new ATOM 1739 N ASP A 127 -4.815 -1.106 12.294 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.275 -2.453 12.413 1.00 0.00 C ATOM 1741 C ASP A 127 -5.248 -3.477 11.843 1.00 0.00 C ATOM 1742 O ASP A 127 -4.844 -4.566 11.444 1.00 0.00 O ATOM 1743 CB ASP A 127 -3.962 -2.782 13.876 1.00 0.00 C ATOM 1744 CG ASP A 127 -2.822 -1.951 14.435 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -3.017 -0.738 14.669 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -1.725 -2.508 14.651 1.00 0.00 O ATOM 0 H ASP A 127 -5.591 -0.905 12.925 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.349 -2.497 11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -4.855 -2.618 14.479 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -3.710 -3.839 13.960 1.00 0.00 H new ATOM 1750 N SER A 128 -6.527 -3.121 11.826 1.00 0.00 N ATOM 1751 CA SER A 128 -7.573 -3.961 11.247 1.00 0.00 C ATOM 1752 C SER A 128 -8.841 -3.129 11.035 1.00 0.00 C ATOM 1753 O SER A 128 -9.684 -3.005 11.924 1.00 0.00 O ATOM 1754 CB SER A 128 -7.836 -5.168 12.151 1.00 0.00 C ATOM 1755 OG SER A 128 -8.045 -4.775 13.499 1.00 0.00 O ATOM 0 H SER A 128 -6.870 -2.242 12.213 1.00 0.00 H new ATOM 0 HA SER A 128 -7.248 -4.338 10.277 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.710 -5.710 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.991 -5.854 12.098 1.00 0.00 H new ATOM 0 HG SER A 128 -8.674 -4.024 13.527 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.960 -2.545 9.850 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.064 -1.643 9.547 1.00 0.00 C ATOM 1762 C ALA A 129 -11.024 -2.261 8.549 1.00 0.00 C ATOM 1763 O ALA A 129 -10.615 -3.033 7.680 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.536 -0.330 9.002 1.00 0.00 C ATOM 0 H ALA A 129 -8.304 -2.680 9.081 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.606 -1.459 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.371 0.334 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.888 0.137 9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.969 -0.516 8.090 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.293 -1.903 8.677 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.330 -2.401 7.786 1.00 0.00 C ATOM 1772 C VAL A 130 -13.422 -1.520 6.546 1.00 0.00 C ATOM 1773 O VAL A 130 -13.528 -0.296 6.657 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.711 -2.429 8.484 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.734 -3.151 7.620 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.614 -3.074 9.858 1.00 0.00 C ATOM 0 H VAL A 130 -12.631 -1.264 9.396 1.00 0.00 H new ATOM 0 HA VAL A 130 -13.059 -3.419 7.504 1.00 0.00 H new ATOM 0 HB VAL A 130 -15.043 -1.400 8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.698 -3.160 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.832 -2.635 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.406 -4.176 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.598 -3.081 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.254 -4.098 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.921 -2.506 10.478 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.358 -2.144 5.374 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.486 -1.426 4.111 1.00 0.00 C ATOM 1788 C LEU A 131 -14.854 -0.776 3.956 1.00 0.00 C ATOM 1789 O LEU A 131 -15.811 -1.144 4.639 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.256 -2.368 2.933 1.00 0.00 C ATOM 1791 CG LEU A 131 -11.803 -2.584 2.525 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -11.017 -1.284 2.658 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -11.163 -3.693 3.344 1.00 0.00 C ATOM 0 H LEU A 131 -13.218 -3.149 5.273 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.728 -0.642 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.692 -3.337 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -13.801 -1.981 2.072 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.784 -2.893 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -9.981 -1.453 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.458 -0.524 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -11.049 -0.944 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -10.127 -3.825 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -11.192 -3.428 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -11.710 -4.623 3.188 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.942 0.173 3.028 1.00 0.00 N ATOM 1805 CA ALA A 132 -16.176 0.879 2.757 1.00 0.00 C ATOM 1806 C ALA A 132 -16.044 1.635 1.449 1.00 0.00 C ATOM 1807 O ALA A 132 -14.933 1.863 0.975 1.00 0.00 O ATOM 1808 CB ALA A 132 -16.496 1.838 3.890 1.00 0.00 C ATOM 0 H ALA A 132 -14.157 0.469 2.447 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.992 0.160 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -17.427 2.362 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -16.603 1.280 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.688 2.562 3.993 1.00 0.00 H new ATOM 1814 N ASN A 133 -17.172 2.003 0.862 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.178 2.731 -0.401 1.00 0.00 C ATOM 1816 C ASN A 133 -16.444 4.065 -0.278 1.00 0.00 C ATOM 1817 O ASN A 133 -16.982 5.041 0.241 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.618 2.944 -0.887 1.00 0.00 C ATOM 1819 CG ASN A 133 -19.567 3.367 0.225 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -20.139 2.521 0.915 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.755 4.665 0.402 1.00 0.00 N ATOM 0 H ASN A 133 -18.099 1.809 1.240 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.647 2.130 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -18.623 3.703 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -18.984 2.021 -1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.391 4.994 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -19.264 5.337 -0.188 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.205 4.092 -0.752 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.410 5.301 -0.687 1.00 0.00 C ATOM 1829 C GLY A 134 -13.315 5.227 0.361 1.00 0.00 C ATOM 1830 O GLY A 134 -12.613 6.208 0.597 1.00 0.00 O ATOM 0 H GLY A 134 -14.736 3.295 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.961 5.489 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.061 6.147 -0.467 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.174 4.067 0.997 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.142 3.875 2.013 1.00 0.00 C ATOM 1836 C ASP A 135 -10.783 3.715 1.347 1.00 0.00 C ATOM 1837 O ASP A 135 -10.577 2.805 0.548 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.455 2.655 2.880 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.563 2.574 4.103 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -11.929 3.160 5.146 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -10.506 1.927 4.033 1.00 0.00 O ATOM 0 H ASP A 135 -13.759 3.248 0.828 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.121 4.754 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.498 2.694 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.336 1.749 2.285 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.869 4.610 1.666 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.582 4.674 0.990 1.00 0.00 C ATOM 1847 C GLU A 136 -7.448 4.153 1.881 1.00 0.00 C ATOM 1848 O GLU A 136 -7.362 4.491 3.056 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.352 6.124 0.532 1.00 0.00 C ATOM 1850 CG GLU A 136 -6.902 6.577 0.459 1.00 0.00 C ATOM 1851 CD GLU A 136 -6.797 8.058 0.150 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -6.812 8.432 -1.045 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -6.728 8.862 1.104 1.00 0.00 O ATOM 0 H GLU A 136 -9.993 5.311 2.396 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.587 4.021 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -8.801 6.249 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.886 6.788 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -6.406 6.366 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.380 6.006 -0.309 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.586 3.315 1.306 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.453 2.745 2.035 1.00 0.00 C ATOM 1860 C VAL A 137 -4.155 3.202 1.385 1.00 0.00 C ATOM 1861 O VAL A 137 -4.084 3.359 0.170 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.485 1.176 2.082 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.628 0.550 1.025 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -5.074 0.642 3.446 1.00 0.00 C ATOM 0 H VAL A 137 -6.651 3.015 0.333 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.520 3.100 3.063 1.00 0.00 H new ATOM 0 HB VAL A 137 -6.521 0.899 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.688 -0.536 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -4.978 0.862 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -3.594 0.867 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -5.110 -0.447 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -4.060 0.970 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -5.758 1.020 4.206 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.154 3.475 2.187 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.820 3.652 1.665 1.00 0.00 C ATOM 1876 C GLN A 138 -0.961 2.499 2.134 1.00 0.00 C ATOM 1877 O GLN A 138 -0.738 2.319 3.336 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.206 4.983 2.111 1.00 0.00 C ATOM 1879 CG GLN A 138 -0.059 5.459 1.220 1.00 0.00 C ATOM 1880 CD GLN A 138 1.130 4.541 1.189 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.233 3.670 0.346 1.00 0.00 O ATOM 1882 NE2 GLN A 138 2.039 4.736 2.104 1.00 0.00 N ATOM 0 H GLN A 138 -3.236 3.579 3.198 1.00 0.00 H new ATOM 0 HA GLN A 138 -1.870 3.670 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.985 5.746 2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -0.842 4.881 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -0.433 5.583 0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.266 6.442 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 138 1.917 5.477 2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.872 4.148 2.129 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.504 1.707 1.187 1.00 0.00 N ATOM 1890 CA ILE A 139 0.403 0.624 1.490 1.00 0.00 C ATOM 1891 C ILE A 139 1.657 0.773 0.668 1.00 0.00 C ATOM 1892 O ILE A 139 1.584 0.993 -0.534 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.209 -0.771 1.230 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.282 -1.387 -0.074 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.714 -0.709 1.212 1.00 0.00 C ATOM 1896 CD1 ILE A 139 0.074 -2.870 -0.125 1.00 0.00 C ATOM 0 H ILE A 139 -0.747 1.794 0.200 1.00 0.00 H new ATOM 0 HA ILE A 139 0.624 0.687 2.556 1.00 0.00 H new ATOM 0 HB ILE A 139 0.121 -1.405 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -0.240 -0.922 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.343 -1.168 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.117 -1.705 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.075 -0.344 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.041 -0.033 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.442 -3.256 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.618 -3.342 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -0.989 -3.092 -0.030 1.00 0.00 H new ATOM 1907 N GLY A 140 2.798 0.708 1.322 1.00 0.00 N ATOM 1908 CA GLY A 140 4.053 0.678 0.585 1.00 0.00 C ATOM 1909 C GLY A 140 4.407 2.034 0.008 1.00 0.00 C ATOM 1910 O GLY A 140 5.369 2.651 0.438 1.00 0.00 O ATOM 0 H GLY A 140 2.888 0.675 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.853 0.345 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.982 -0.052 -0.222 1.00 0.00 H new ATOM 1914 N LYS A 141 3.635 2.492 -0.968 1.00 0.00 N ATOM 1915 CA LYS A 141 3.771 3.837 -1.491 1.00 0.00 C ATOM 1916 C LYS A 141 2.656 4.143 -2.495 1.00 0.00 C ATOM 1917 O LYS A 141 2.843 4.917 -3.413 1.00 0.00 O ATOM 1918 CB LYS A 141 5.159 4.015 -2.127 1.00 0.00 C ATOM 1919 CG LYS A 141 5.565 2.891 -3.060 1.00 0.00 C ATOM 1920 CD LYS A 141 7.004 3.032 -3.540 1.00 0.00 C ATOM 1921 CE LYS A 141 7.189 4.233 -4.451 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.465 4.162 -5.210 1.00 0.00 N ATOM 0 H LYS A 141 2.902 1.942 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 141 3.677 4.547 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.175 4.954 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 141 5.902 4.099 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.447 1.936 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 141 4.897 2.876 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.665 3.126 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.299 2.127 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.354 4.291 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.171 5.146 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.553 5.000 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.264 4.132 -4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 8.472 3.304 -5.798 1.00 0.00 H new ATOM 1932 N PHE A 142 1.483 3.549 -2.292 1.00 0.00 N ATOM 1933 CA PHE A 142 0.395 3.625 -3.270 1.00 0.00 C ATOM 1934 C PHE A 142 -0.854 4.168 -2.606 1.00 0.00 C ATOM 1935 O PHE A 142 -1.081 3.937 -1.420 1.00 0.00 O ATOM 1936 CB PHE A 142 0.048 2.244 -3.869 1.00 0.00 C ATOM 1937 CG PHE A 142 1.227 1.371 -4.176 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.188 1.130 -3.218 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.375 0.799 -5.421 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.274 0.339 -3.488 1.00 0.00 C ATOM 1941 CE2 PHE A 142 2.463 0.002 -5.697 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.415 -0.225 -4.731 1.00 0.00 C ATOM 0 H PHE A 142 1.259 3.008 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 142 0.737 4.280 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.604 1.716 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.521 2.395 -4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 142 2.083 1.572 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.633 0.977 -6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 142 4.017 0.160 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.569 -0.446 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.271 -0.846 -4.950 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.675 4.852 -3.375 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.918 5.381 -2.858 1.00 0.00 C ATOM 1953 C ARG A 143 -4.082 4.510 -3.324 1.00 0.00 C ATOM 1954 O ARG A 143 -4.515 4.600 -4.476 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.108 6.824 -3.322 1.00 0.00 C ATOM 1956 CG ARG A 143 -3.981 7.631 -2.386 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.168 9.066 -2.854 1.00 0.00 C ATOM 1958 NE ARG A 143 -4.662 9.161 -4.229 1.00 0.00 N ATOM 1959 CZ ARG A 143 -5.955 9.210 -4.553 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -6.886 9.072 -3.615 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -6.314 9.378 -5.822 1.00 0.00 N ATOM 0 H ARG A 143 -1.504 5.054 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.887 5.372 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.133 7.305 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.552 6.825 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.956 7.151 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.537 7.632 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.867 9.571 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.217 9.594 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.977 9.192 -4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.613 8.928 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.874 9.110 -3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -5.601 9.469 -6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -7.302 9.416 -6.072 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.557 3.645 -2.437 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.642 2.727 -2.763 1.00 0.00 C ATOM 1974 C LEU A 144 -6.967 3.283 -2.317 1.00 0.00 C ATOM 1975 O LEU A 144 -7.029 4.132 -1.442 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.485 1.363 -2.085 1.00 0.00 C ATOM 1977 CG LEU A 144 -4.216 0.592 -2.403 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -3.051 1.117 -1.594 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -4.434 -0.883 -2.135 1.00 0.00 C ATOM 0 H LEU A 144 -4.207 3.560 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.604 2.605 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.534 1.510 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.339 0.744 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.976 0.728 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -2.153 0.550 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.890 2.169 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -3.269 1.011 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.521 -1.433 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.691 -1.028 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -5.246 -1.251 -2.762 1.00 0.00 H new ATOM 1990 N VAL A 145 -8.018 2.797 -2.933 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.365 3.050 -2.476 1.00 0.00 C ATOM 1992 C VAL A 145 -10.203 1.791 -2.658 1.00 0.00 C ATOM 1993 O VAL A 145 -10.051 1.071 -3.641 1.00 0.00 O ATOM 1994 CB VAL A 145 -10.023 4.248 -3.201 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.193 4.685 -4.391 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.436 3.907 -3.629 1.00 0.00 C ATOM 0 H VAL A 145 -7.964 2.213 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.315 3.315 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.070 5.081 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.678 5.528 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.201 4.984 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.102 3.858 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.879 4.764 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.415 3.054 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -12.032 3.657 -2.751 1.00 0.00 H new ATOM 2006 N PHE A 146 -11.065 1.528 -1.706 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.944 0.376 -1.765 1.00 0.00 C ATOM 2008 C PHE A 146 -13.318 0.759 -2.279 1.00 0.00 C ATOM 2009 O PHE A 146 -13.883 1.779 -1.875 1.00 0.00 O ATOM 2010 CB PHE A 146 -12.077 -0.252 -0.382 1.00 0.00 C ATOM 2011 CG PHE A 146 -13.165 -1.288 -0.278 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.908 -2.615 -0.563 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -14.443 -0.934 0.116 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -13.902 -3.566 -0.456 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -15.441 -1.878 0.223 1.00 0.00 C ATOM 2016 CZ PHE A 146 -15.170 -3.197 -0.063 1.00 0.00 C ATOM 0 H PHE A 146 -11.180 2.101 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.505 -0.344 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -11.126 -0.711 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -12.270 0.536 0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -11.917 -2.912 -0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -14.662 0.099 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.686 -4.600 -0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -16.434 -1.584 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 146 -15.949 -3.940 0.020 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.858 -0.068 -3.162 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.237 0.073 -3.584 1.00 0.00 C ATOM 2027 C LEU A 147 -15.981 -1.240 -3.452 1.00 0.00 C ATOM 2028 O LEU A 147 -15.392 -2.324 -3.505 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.364 0.592 -5.022 1.00 0.00 C ATOM 2030 CG LEU A 147 -15.310 2.113 -5.179 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.948 2.799 -3.975 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.884 2.582 -5.391 1.00 0.00 C ATOM 0 H LEU A 147 -13.359 -0.843 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.685 0.814 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.565 0.154 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.306 0.234 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.883 2.390 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.900 3.880 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.990 2.489 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -15.411 2.518 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.870 3.666 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -13.276 2.296 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.480 2.121 -6.292 1.00 0.00 H new