USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 57 SER OG : rot 109:sc= 0.513 USER MOD Set 1.2: A 60 GLN : amide:sc= -0.131 K(o=0.38,f=0.9) USER MOD Set 2.1: A 20 SER OG : rot 63:sc= 0.00632 USER MOD Set 2.2: A 46 CYS SG : rot -24:sc= -0.616 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 137:sc= 1.15 (180deg=0.264) USER MOD Single : A 6 THR OG1 : rot -18:sc= 0.873 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.854 K(o=0.85,f=-0.00046) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.39) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 26 GLN : amide:sc= 0.206 K(o=0.21,f=-1.3) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.162 USER MOD Single : A 31 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.86 (180deg=0.84) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 75:sc= 0.0815 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 0.93 (180deg=-0.258!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.409 K(o=0.41,f=-1.7!) USER MOD Single : A 51 CYS SG : rot 83:sc= -0.429 USER MOD Single : A 53 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.31) USER MOD Single : A 59 SER OG : rot 180:sc= 0.115 USER MOD Single : A 62 GLN : amide:sc= -0.452! C(o=-0.45!,f=-4.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.584 K(o=-0.58,f=-5.6!) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.322 K(o=0.32,f=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.21) USER MOD Single : A 93 MET CE :methyl 170:sc=-0.00642 (180deg=-0.129) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -170:sc=-0.00433 (180deg=-0.0999) USER MOD Single : A 99 ASN : amide:sc= 0.472 K(o=0.47,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -8.475 19.735 10.721 1.00 0.00 N ATOM 2 CA MET A 0 -8.292 19.814 12.179 1.00 0.00 C ATOM 3 C MET A 0 -6.961 19.168 12.575 1.00 0.00 C ATOM 4 O MET A 0 -6.255 18.645 11.709 1.00 0.00 O ATOM 5 CB MET A 0 -9.456 19.178 12.948 1.00 0.00 C ATOM 6 CG MET A 0 -10.802 19.857 12.698 1.00 0.00 C ATOM 7 SD MET A 0 -11.627 19.383 11.175 1.00 0.00 S ATOM 8 CE MET A 0 -13.036 20.502 11.260 1.00 0.00 C ATOM 0 H1 MET A 0 -9.456 19.462 10.509 1.00 0.00 H new ATOM 0 H2 MET A 0 -8.273 20.662 10.295 1.00 0.00 H new ATOM 0 H3 MET A 0 -7.825 19.025 10.328 1.00 0.00 H new ATOM 0 HA MET A 0 -8.275 20.869 12.452 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.532 18.127 12.670 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.236 19.210 14.015 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.464 19.635 13.535 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.650 20.936 12.689 1.00 0.00 H new ATOM 0 HE1 MET A 0 -13.672 20.353 10.387 1.00 0.00 H new ATOM 0 HE2 MET A 0 -13.608 20.298 12.165 1.00 0.00 H new ATOM 0 HE3 MET A 0 -12.682 21.533 11.279 1.00 0.00 H new ATOM 20 N ALA A 1 -6.621 19.206 13.867 1.00 0.00 N ATOM 21 CA ALA A 1 -5.455 18.583 14.485 1.00 0.00 C ATOM 22 C ALA A 1 -5.391 19.029 15.944 1.00 0.00 C ATOM 23 O ALA A 1 -5.499 18.205 16.851 1.00 0.00 O ATOM 24 CB ALA A 1 -4.141 18.933 13.778 1.00 0.00 C ATOM 0 H ALA A 1 -7.192 19.705 14.549 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.569 17.502 14.404 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.312 18.439 14.285 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.184 18.597 12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.991 20.012 13.803 1.00 0.00 H new ATOM 30 N ARG A 2 -5.213 20.333 16.186 1.00 0.00 N ATOM 31 CA ARG A 2 -5.280 20.860 17.544 1.00 0.00 C ATOM 32 C ARG A 2 -6.717 20.692 18.030 1.00 0.00 C ATOM 33 O ARG A 2 -7.617 20.592 17.200 1.00 0.00 O ATOM 34 CB ARG A 2 -4.868 22.336 17.611 1.00 0.00 C ATOM 35 CG ARG A 2 -3.535 22.601 16.900 1.00 0.00 C ATOM 36 CD ARG A 2 -3.116 24.065 17.068 1.00 0.00 C ATOM 37 NE ARG A 2 -2.841 24.381 18.477 1.00 0.00 N ATOM 38 CZ ARG A 2 -1.688 24.154 19.122 1.00 0.00 C ATOM 39 NH1 ARG A 2 -0.653 23.599 18.495 1.00 0.00 N ATOM 40 NH2 ARG A 2 -1.599 24.483 20.405 1.00 0.00 N ATOM 0 H ARG A 2 -5.024 21.031 15.466 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.582 20.313 18.178 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.647 22.949 17.158 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.788 22.642 18.654 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.763 21.947 17.307 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.628 22.363 15.840 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.228 24.263 16.468 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.905 24.717 16.694 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.595 24.812 19.012 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.731 23.341 17.511 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.218 23.432 18.998 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.399 24.900 20.881 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.731 24.319 20.915 1.00 0.00 H new ATOM 54 N ILE A 3 -6.933 20.654 19.344 1.00 0.00 N ATOM 55 CA ILE A 3 -8.183 20.225 19.955 1.00 0.00 C ATOM 56 C ILE A 3 -8.609 18.865 19.396 1.00 0.00 C ATOM 57 O ILE A 3 -8.245 17.836 19.965 1.00 0.00 O ATOM 58 CB ILE A 3 -9.277 21.327 20.022 1.00 0.00 C ATOM 59 CG1 ILE A 3 -10.580 20.719 20.576 1.00 0.00 C ATOM 60 CG2 ILE A 3 -9.530 22.142 18.743 1.00 0.00 C ATOM 61 CD1 ILE A 3 -11.721 21.722 20.718 1.00 0.00 C ATOM 0 H ILE A 3 -6.226 20.928 20.026 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.006 20.060 21.018 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.875 22.080 20.699 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.900 19.911 19.918 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.376 20.275 21.551 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.316 22.874 18.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.614 22.657 18.453 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.839 21.473 17.940 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.602 21.217 21.114 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.423 22.518 21.400 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.954 22.148 19.742 1.00 0.00 H new ATOM 73 N ASP A 4 -9.367 18.831 18.305 1.00 0.00 N ATOM 74 CA ASP A 4 -9.928 17.619 17.749 1.00 0.00 C ATOM 75 C ASP A 4 -9.040 17.112 16.610 1.00 0.00 C ATOM 76 O ASP A 4 -8.581 17.893 15.781 1.00 0.00 O ATOM 77 CB ASP A 4 -11.395 17.829 17.341 1.00 0.00 C ATOM 78 CG ASP A 4 -11.633 18.845 16.240 1.00 0.00 C ATOM 79 OD1 ASP A 4 -10.912 19.856 16.156 1.00 0.00 O ATOM 80 OD2 ASP A 4 -12.661 18.688 15.553 1.00 0.00 O ATOM 0 H ASP A 4 -9.610 19.668 17.775 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.944 16.838 18.509 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.804 16.871 17.021 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.957 18.137 18.222 1.00 0.00 H new ATOM 85 N PRO A 5 -8.766 15.800 16.559 1.00 0.00 N ATOM 86 CA PRO A 5 -7.939 15.217 15.519 1.00 0.00 C ATOM 87 C PRO A 5 -8.718 15.092 14.212 1.00 0.00 C ATOM 88 O PRO A 5 -8.215 15.410 13.137 1.00 0.00 O ATOM 89 CB PRO A 5 -7.542 13.841 16.054 1.00 0.00 C ATOM 90 CG PRO A 5 -8.680 13.461 17.003 1.00 0.00 C ATOM 91 CD PRO A 5 -9.117 14.810 17.566 1.00 0.00 C ATOM 0 HA PRO A 5 -7.068 15.833 15.295 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.438 13.115 15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.585 13.878 16.575 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.493 12.959 16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.342 12.785 17.789 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.188 14.820 17.766 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.615 15.019 18.510 1.00 0.00 H new ATOM 99 N THR A 6 -9.933 14.551 14.297 1.00 0.00 N ATOM 100 CA THR A 6 -10.756 14.132 13.173 1.00 0.00 C ATOM 101 C THR A 6 -10.018 13.144 12.256 1.00 0.00 C ATOM 102 O THR A 6 -10.107 13.227 11.033 1.00 0.00 O ATOM 103 CB THR A 6 -11.391 15.342 12.462 1.00 0.00 C ATOM 104 OG1 THR A 6 -10.471 16.085 11.692 1.00 0.00 O ATOM 105 CG2 THR A 6 -12.071 16.285 13.460 1.00 0.00 C ATOM 0 H THR A 6 -10.387 14.387 15.195 1.00 0.00 H new ATOM 0 HA THR A 6 -11.601 13.558 13.554 1.00 0.00 H new ATOM 0 HB THR A 6 -12.132 14.916 11.785 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.558 15.874 11.979 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.508 17.128 12.924 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.855 15.747 13.993 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.334 16.652 14.174 1.00 0.00 H new ATOM 113 N LYS A 7 -9.338 12.153 12.839 1.00 0.00 N ATOM 114 CA LYS A 7 -8.516 11.190 12.107 1.00 0.00 C ATOM 115 C LYS A 7 -9.329 10.131 11.339 1.00 0.00 C ATOM 116 O LYS A 7 -8.901 8.982 11.244 1.00 0.00 O ATOM 117 CB LYS A 7 -7.474 10.553 13.051 1.00 0.00 C ATOM 118 CG LYS A 7 -8.020 9.655 14.181 1.00 0.00 C ATOM 119 CD LYS A 7 -8.165 10.408 15.512 1.00 0.00 C ATOM 120 CE LYS A 7 -8.426 9.501 16.721 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.693 8.756 16.624 1.00 0.00 N ATOM 0 H LYS A 7 -9.344 11.996 13.847 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.992 11.748 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.786 9.961 12.448 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.891 11.354 13.505 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.990 9.255 13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.353 8.804 14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.257 10.983 15.692 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.983 11.123 15.425 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.603 8.794 16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.437 10.108 17.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.812 8.162 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.486 9.426 16.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.677 8.153 15.777 1.00 0.00 H new ATOM 135 N LYS A 8 -10.483 10.491 10.771 1.00 0.00 N ATOM 136 CA LYS A 8 -11.303 9.558 10.012 1.00 0.00 C ATOM 137 C LYS A 8 -10.720 9.417 8.601 1.00 0.00 C ATOM 138 O LYS A 8 -11.348 9.818 7.622 1.00 0.00 O ATOM 139 CB LYS A 8 -12.798 9.951 10.028 1.00 0.00 C ATOM 140 CG LYS A 8 -13.141 11.379 9.560 1.00 0.00 C ATOM 141 CD LYS A 8 -13.210 12.382 10.718 1.00 0.00 C ATOM 142 CE LYS A 8 -14.516 12.326 11.521 1.00 0.00 C ATOM 143 NZ LYS A 8 -15.592 13.174 10.965 1.00 0.00 N ATOM 0 H LYS A 8 -10.869 11.433 10.827 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.274 8.577 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.342 9.246 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.172 9.826 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.392 11.711 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.098 11.366 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.374 12.199 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.084 13.389 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.863 11.294 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.315 12.635 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.443 13.087 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.280 14.166 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.811 12.866 9.996 1.00 0.00 H new ATOM 157 N GLY A 9 -9.495 8.906 8.483 1.00 0.00 N ATOM 158 CA GLY A 9 -8.754 8.927 7.243 1.00 0.00 C ATOM 159 C GLY A 9 -7.335 9.379 7.545 1.00 0.00 C ATOM 160 O GLY A 9 -7.103 10.541 7.871 1.00 0.00 O ATOM 0 H GLY A 9 -8.995 8.466 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.749 7.937 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.225 9.604 6.530 1.00 0.00 H new ATOM 164 N ARG A 10 -6.392 8.452 7.474 1.00 0.00 N ATOM 165 CA ARG A 10 -4.964 8.694 7.424 1.00 0.00 C ATOM 166 C ARG A 10 -4.361 7.521 6.647 1.00 0.00 C ATOM 167 O ARG A 10 -5.047 6.514 6.447 1.00 0.00 O ATOM 168 CB ARG A 10 -4.381 8.848 8.838 1.00 0.00 C ATOM 169 CG ARG A 10 -4.546 7.613 9.734 1.00 0.00 C ATOM 170 CD ARG A 10 -5.859 7.569 10.538 1.00 0.00 C ATOM 171 NE ARG A 10 -6.395 6.201 10.674 1.00 0.00 N ATOM 172 CZ ARG A 10 -5.701 5.134 11.102 1.00 0.00 C ATOM 173 NH1 ARG A 10 -4.445 5.265 11.518 1.00 0.00 N ATOM 174 NH2 ARG A 10 -6.250 3.923 11.105 1.00 0.00 N ATOM 0 H ARG A 10 -6.618 7.458 7.449 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.725 9.631 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.320 9.082 8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.859 9.699 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.487 6.720 9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.708 7.572 10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.688 7.989 11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.602 8.199 10.049 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.372 6.054 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.000 6.183 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.927 4.448 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.208 3.797 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.713 3.120 11.432 1.00 0.00 H new ATOM 188 N ARG A 11 -3.108 7.617 6.204 1.00 0.00 N ATOM 189 CA ARG A 11 -2.388 6.475 5.681 1.00 0.00 C ATOM 190 C ARG A 11 -2.346 5.396 6.769 1.00 0.00 C ATOM 191 O ARG A 11 -2.519 5.691 7.950 1.00 0.00 O ATOM 192 CB ARG A 11 -0.979 6.868 5.203 1.00 0.00 C ATOM 193 CG ARG A 11 -0.279 5.834 4.297 1.00 0.00 C ATOM 194 CD ARG A 11 -0.790 5.857 2.848 1.00 0.00 C ATOM 195 NE ARG A 11 -1.210 4.554 2.289 1.00 0.00 N ATOM 196 CZ ARG A 11 -0.418 3.551 1.868 1.00 0.00 C ATOM 197 NH1 ARG A 11 0.826 3.411 2.325 1.00 0.00 N ATOM 198 NH2 ARG A 11 -0.915 2.683 0.985 1.00 0.00 N ATOM 0 H ARG A 11 -2.573 8.486 6.201 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.902 6.082 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.046 7.813 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.352 7.044 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.794 6.025 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.427 4.837 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.635 6.543 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.004 6.266 2.213 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.215 4.398 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.196 4.072 3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.408 2.643 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.872 2.790 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.338 1.912 0.647 1.00 0.00 H new ATOM 212 N ASN A 12 -2.143 4.137 6.384 1.00 0.00 N ATOM 213 CA ASN A 12 -2.068 3.012 7.317 1.00 0.00 C ATOM 214 C ASN A 12 -3.447 2.658 7.871 1.00 0.00 C ATOM 215 O ASN A 12 -3.559 1.875 8.815 1.00 0.00 O ATOM 216 CB ASN A 12 -1.096 3.309 8.470 1.00 0.00 C ATOM 217 CG ASN A 12 -0.306 2.090 8.925 1.00 0.00 C ATOM 218 OD1 ASN A 12 0.921 2.117 8.870 1.00 0.00 O ATOM 219 ND2 ASN A 12 -0.959 1.025 9.375 1.00 0.00 N ATOM 0 H ASN A 12 -2.025 3.866 5.408 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.691 2.155 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.400 4.087 8.157 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.658 3.705 9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.441 0.203 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.978 1.029 9.410 1.00 0.00 H new ATOM 226 N ARG A 13 -4.513 3.242 7.313 1.00 0.00 N ATOM 227 CA ARG A 13 -5.863 2.869 7.696 1.00 0.00 C ATOM 228 C ARG A 13 -6.130 1.418 7.311 1.00 0.00 C ATOM 229 O ARG A 13 -6.630 0.639 8.117 1.00 0.00 O ATOM 230 CB ARG A 13 -6.898 3.848 7.136 1.00 0.00 C ATOM 231 CG ARG A 13 -6.884 4.065 5.615 1.00 0.00 C ATOM 232 CD ARG A 13 -7.964 5.092 5.251 1.00 0.00 C ATOM 233 NE ARG A 13 -9.315 4.532 5.432 1.00 0.00 N ATOM 234 CZ ARG A 13 -10.097 4.017 4.471 1.00 0.00 C ATOM 235 NH1 ARG A 13 -9.687 3.990 3.206 1.00 0.00 N ATOM 236 NH2 ARG A 13 -11.289 3.512 4.775 1.00 0.00 N ATOM 0 H ARG A 13 -4.460 3.969 6.600 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.959 2.937 8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.889 3.496 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.751 4.814 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.904 4.418 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.069 3.123 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.849 5.980 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.834 5.409 4.216 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.692 4.536 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.770 4.363 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.289 3.596 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.613 3.515 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.880 3.122 4.041 1.00 0.00 H new ATOM 250 N PHE A 14 -5.740 1.052 6.093 1.00 0.00 N ATOM 251 CA PHE A 14 -5.583 -0.343 5.734 1.00 0.00 C ATOM 252 C PHE A 14 -4.315 -0.854 6.408 1.00 0.00 C ATOM 253 O PHE A 14 -3.300 -0.157 6.405 1.00 0.00 O ATOM 254 CB PHE A 14 -5.463 -0.467 4.213 1.00 0.00 C ATOM 255 CG PHE A 14 -5.136 -1.860 3.708 1.00 0.00 C ATOM 256 CD1 PHE A 14 -6.085 -2.896 3.809 1.00 0.00 C ATOM 257 CD2 PHE A 14 -3.868 -2.132 3.162 1.00 0.00 C ATOM 258 CE1 PHE A 14 -5.831 -4.146 3.215 1.00 0.00 C ATOM 259 CE2 PHE A 14 -3.593 -3.399 2.622 1.00 0.00 C ATOM 260 CZ PHE A 14 -4.597 -4.382 2.585 1.00 0.00 C ATOM 0 H PHE A 14 -5.528 1.708 5.341 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.443 -0.929 6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.401 -0.144 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.690 0.219 3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.009 -2.731 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.106 -1.366 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.582 -4.922 3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.609 -3.618 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.421 -5.317 2.074 1.00 0.00 H new ATOM 270 N LYS A 15 -4.384 -2.062 6.953 1.00 0.00 N ATOM 271 CA LYS A 15 -3.243 -2.908 7.248 1.00 0.00 C ATOM 272 C LYS A 15 -3.547 -4.232 6.545 1.00 0.00 C ATOM 273 O LYS A 15 -4.646 -4.385 6.018 1.00 0.00 O ATOM 274 CB LYS A 15 -3.105 -3.095 8.767 1.00 0.00 C ATOM 275 CG LYS A 15 -4.382 -3.680 9.402 1.00 0.00 C ATOM 276 CD LYS A 15 -4.041 -4.517 10.642 1.00 0.00 C ATOM 277 CE LYS A 15 -5.242 -5.390 11.032 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.929 -6.312 12.139 1.00 0.00 N ATOM 0 H LYS A 15 -5.272 -2.492 7.210 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.300 -2.482 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.263 -3.755 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.879 -2.135 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.059 -2.872 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.905 -4.299 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.174 -5.146 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.773 -3.862 11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.075 -4.749 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.567 -5.965 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.770 -6.880 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.152 -6.942 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.644 -5.765 12.976 1.00 0.00 H new ATOM 292 N TRP A 16 -2.654 -5.215 6.604 1.00 0.00 N ATOM 293 CA TRP A 16 -3.036 -6.565 6.218 1.00 0.00 C ATOM 294 C TRP A 16 -3.635 -7.266 7.442 1.00 0.00 C ATOM 295 O TRP A 16 -4.720 -6.906 7.891 1.00 0.00 O ATOM 296 CB TRP A 16 -1.816 -7.258 5.610 1.00 0.00 C ATOM 297 CG TRP A 16 -1.447 -6.717 4.264 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.546 -5.745 4.008 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.995 -7.098 2.970 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.421 -5.575 2.644 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.304 -6.377 1.954 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.988 -8.007 2.550 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.580 -6.560 0.593 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -3.183 -8.282 1.186 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.523 -7.523 0.208 1.00 0.00 C ATOM 0 H TRP A 16 -1.686 -5.106 6.907 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.808 -6.585 5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.968 -7.147 6.285 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.017 -8.326 5.524 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.005 -5.185 4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.241 -4.937 2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.607 -8.498 3.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.072 -5.966 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.845 -9.082 0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.741 -7.680 -0.838 1.00 0.00 H new ATOM 316 N GLY A 17 -2.908 -8.197 8.052 1.00 0.00 N ATOM 317 CA GLY A 17 -3.395 -8.980 9.175 1.00 0.00 C ATOM 318 C GLY A 17 -2.503 -10.208 9.315 1.00 0.00 C ATOM 319 O GLY A 17 -1.614 -10.394 8.479 1.00 0.00 O ATOM 0 H GLY A 17 -1.954 -8.429 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.374 -8.388 10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.431 -9.278 9.011 1.00 0.00 H new ATOM 323 N PRO A 18 -2.707 -11.048 10.336 1.00 0.00 N ATOM 324 CA PRO A 18 -2.222 -12.414 10.315 1.00 0.00 C ATOM 325 C PRO A 18 -3.088 -13.201 9.323 1.00 0.00 C ATOM 326 O PRO A 18 -4.125 -12.702 8.894 1.00 0.00 O ATOM 327 CB PRO A 18 -2.396 -12.910 11.751 1.00 0.00 C ATOM 328 CG PRO A 18 -3.625 -12.144 12.248 1.00 0.00 C ATOM 329 CD PRO A 18 -3.602 -10.830 11.459 1.00 0.00 C ATOM 0 HA PRO A 18 -1.184 -12.522 10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.553 -13.988 11.787 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.517 -12.696 12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.543 -12.702 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.573 -11.963 13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.602 -10.565 11.115 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.251 -10.008 12.082 1.00 0.00 H new ATOM 337 N ALA A 19 -2.653 -14.406 8.948 1.00 0.00 N ATOM 338 CA ALA A 19 -3.265 -15.414 8.088 1.00 0.00 C ATOM 339 C ALA A 19 -3.171 -14.974 6.636 1.00 0.00 C ATOM 340 O ALA A 19 -2.564 -15.629 5.803 1.00 0.00 O ATOM 341 CB ALA A 19 -4.675 -15.734 8.553 1.00 0.00 C ATOM 0 H ALA A 19 -1.749 -14.736 9.285 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.718 -16.354 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.112 -16.487 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.644 -16.115 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.283 -14.830 8.522 1.00 0.00 H new ATOM 347 N SER A 20 -3.641 -13.762 6.397 1.00 0.00 N ATOM 348 CA SER A 20 -3.315 -12.921 5.260 1.00 0.00 C ATOM 349 C SER A 20 -1.839 -13.103 4.870 1.00 0.00 C ATOM 350 O SER A 20 -1.493 -13.262 3.701 1.00 0.00 O ATOM 351 CB SER A 20 -3.581 -11.493 5.743 1.00 0.00 C ATOM 352 OG SER A 20 -3.271 -10.525 4.766 1.00 0.00 O ATOM 0 H SER A 20 -4.301 -13.312 7.031 1.00 0.00 H new ATOM 0 HA SER A 20 -3.903 -13.167 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.630 -11.398 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.992 -11.301 6.640 1.00 0.00 H new ATOM 0 HG SER A 20 -3.848 -10.653 3.984 1.00 0.00 H new ATOM 358 N GLN A 21 -0.955 -13.092 5.875 1.00 0.00 N ATOM 359 CA GLN A 21 0.471 -13.233 5.651 1.00 0.00 C ATOM 360 C GLN A 21 0.861 -14.469 4.862 1.00 0.00 C ATOM 361 O GLN A 21 1.875 -14.406 4.184 1.00 0.00 O ATOM 362 CB GLN A 21 1.263 -13.223 6.969 1.00 0.00 C ATOM 363 CG GLN A 21 1.479 -11.816 7.526 1.00 0.00 C ATOM 364 CD GLN A 21 2.177 -10.923 6.508 1.00 0.00 C ATOM 365 OE1 GLN A 21 3.396 -10.969 6.345 1.00 0.00 O ATOM 366 NE2 GLN A 21 1.408 -10.139 5.762 1.00 0.00 N ATOM 0 H GLN A 21 -1.215 -12.985 6.856 1.00 0.00 H new ATOM 0 HA GLN A 21 0.730 -12.362 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.734 -13.823 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.231 -13.697 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.519 -11.379 7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.076 -11.870 8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.400 -10.118 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.825 -9.558 5.035 1.00 0.00 H new ATOM 375 N GLN A 22 0.140 -15.579 4.977 1.00 0.00 N ATOM 376 CA GLN A 22 0.607 -16.812 4.368 1.00 0.00 C ATOM 377 C GLN A 22 0.452 -16.727 2.861 1.00 0.00 C ATOM 378 O GLN A 22 1.373 -17.081 2.143 1.00 0.00 O ATOM 379 CB GLN A 22 -0.028 -18.052 5.016 1.00 0.00 C ATOM 380 CG GLN A 22 -1.460 -18.367 4.568 1.00 0.00 C ATOM 381 CD GLN A 22 -2.184 -19.208 5.611 1.00 0.00 C ATOM 382 OE1 GLN A 22 -2.885 -18.681 6.471 1.00 0.00 O ATOM 383 NE2 GLN A 22 -2.004 -20.523 5.571 1.00 0.00 N ATOM 0 H GLN A 22 -0.748 -15.648 5.474 1.00 0.00 H new ATOM 0 HA GLN A 22 1.672 -16.937 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.601 -18.916 4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.025 -17.918 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.006 -17.438 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.439 -18.899 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.417 -20.936 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.453 -21.121 6.265 1.00 0.00 H new ATOM 392 N ILE A 23 -0.655 -16.174 2.369 1.00 0.00 N ATOM 393 CA ILE A 23 -0.790 -15.914 0.940 1.00 0.00 C ATOM 394 C ILE A 23 0.393 -15.047 0.504 1.00 0.00 C ATOM 395 O ILE A 23 1.054 -15.294 -0.504 1.00 0.00 O ATOM 396 CB ILE A 23 -2.129 -15.218 0.638 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.333 -16.159 0.745 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.139 -14.693 -0.801 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.563 -16.755 2.121 1.00 0.00 C ATOM 0 H ILE A 23 -1.461 -15.901 2.931 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.785 -16.852 0.384 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.214 -14.422 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.229 -15.613 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.204 -16.972 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.091 -14.203 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.327 -13.978 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.005 -15.525 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.437 -17.406 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.688 -17.334 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.729 -15.954 2.841 1.00 0.00 H new ATOM 411 N LEU A 24 0.657 -14.002 1.285 1.00 0.00 N ATOM 412 CA LEU A 24 1.661 -13.025 0.926 1.00 0.00 C ATOM 413 C LEU A 24 3.042 -13.689 0.883 1.00 0.00 C ATOM 414 O LEU A 24 3.764 -13.513 -0.097 1.00 0.00 O ATOM 415 CB LEU A 24 1.569 -11.829 1.884 1.00 0.00 C ATOM 416 CG LEU A 24 0.322 -10.989 1.554 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.005 -10.016 2.684 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.468 -10.133 0.296 1.00 0.00 C ATOM 0 H LEU A 24 0.185 -13.817 2.170 1.00 0.00 H new ATOM 0 HA LEU A 24 1.487 -12.634 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.519 -12.180 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.465 -11.214 1.800 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.467 -11.726 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.880 -9.435 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.182 -10.573 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.850 -9.344 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.451 -9.571 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.300 -9.440 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.659 -10.777 -0.562 1.00 0.00 H new ATOM 430 N PHE A 25 3.424 -14.463 1.906 1.00 0.00 N ATOM 431 CA PHE A 25 4.694 -15.174 1.850 1.00 0.00 C ATOM 432 C PHE A 25 4.718 -16.149 0.704 1.00 0.00 C ATOM 433 O PHE A 25 5.710 -16.215 -0.010 1.00 0.00 O ATOM 434 CB PHE A 25 5.138 -15.905 3.128 1.00 0.00 C ATOM 435 CG PHE A 25 4.194 -16.652 4.043 1.00 0.00 C ATOM 436 CD1 PHE A 25 3.944 -18.012 3.774 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.029 -16.171 5.360 1.00 0.00 C ATOM 438 CE1 PHE A 25 3.513 -18.873 4.797 1.00 0.00 C ATOM 439 CE2 PHE A 25 3.602 -17.032 6.386 1.00 0.00 C ATOM 440 CZ PHE A 25 3.353 -18.387 6.106 1.00 0.00 C ATOM 0 H PHE A 25 2.884 -14.607 2.759 1.00 0.00 H new ATOM 0 HA PHE A 25 5.414 -14.367 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.897 -16.624 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.638 -15.160 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.085 -18.395 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.232 -15.134 5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.304 -19.910 4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.465 -16.653 7.388 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.039 -19.054 6.896 1.00 0.00 H new ATOM 450 N GLN A 26 3.672 -16.953 0.583 1.00 0.00 N ATOM 451 CA GLN A 26 3.736 -18.106 -0.277 1.00 0.00 C ATOM 452 C GLN A 26 3.958 -17.622 -1.713 1.00 0.00 C ATOM 453 O GLN A 26 4.826 -18.117 -2.433 1.00 0.00 O ATOM 454 CB GLN A 26 2.520 -19.028 -0.045 1.00 0.00 C ATOM 455 CG GLN A 26 1.299 -18.733 -0.909 1.00 0.00 C ATOM 456 CD GLN A 26 0.084 -19.547 -0.463 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.173 -20.370 0.445 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.060 -19.318 -1.082 1.00 0.00 N ATOM 0 H GLN A 26 2.783 -16.824 1.066 1.00 0.00 H new ATOM 0 HA GLN A 26 4.585 -18.748 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.828 -20.058 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.228 -18.958 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.064 -17.670 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.527 -18.959 -1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.105 -18.629 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.899 -19.830 -0.809 1.00 0.00 H new ATOM 467 N ALA A 27 3.220 -16.578 -2.101 1.00 0.00 N ATOM 468 CA ALA A 27 3.407 -15.951 -3.389 1.00 0.00 C ATOM 469 C ALA A 27 4.803 -15.343 -3.492 1.00 0.00 C ATOM 470 O ALA A 27 5.516 -15.668 -4.437 1.00 0.00 O ATOM 471 CB ALA A 27 2.327 -14.907 -3.627 1.00 0.00 C ATOM 0 H ALA A 27 2.487 -16.156 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 27 3.319 -16.709 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.479 -14.442 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.347 -15.385 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.379 -14.145 -2.849 1.00 0.00 H new ATOM 477 N TYR A 28 5.197 -14.487 -2.534 1.00 0.00 N ATOM 478 CA TYR A 28 6.514 -13.850 -2.528 1.00 0.00 C ATOM 479 C TYR A 28 7.613 -14.877 -2.758 1.00 0.00 C ATOM 480 O TYR A 28 8.596 -14.622 -3.461 1.00 0.00 O ATOM 481 CB TYR A 28 6.754 -13.133 -1.188 1.00 0.00 C ATOM 482 CG TYR A 28 7.989 -12.247 -1.106 1.00 0.00 C ATOM 483 CD1 TYR A 28 9.261 -12.808 -0.872 1.00 0.00 C ATOM 484 CD2 TYR A 28 7.848 -10.847 -1.128 1.00 0.00 C ATOM 485 CE1 TYR A 28 10.389 -11.977 -0.731 1.00 0.00 C ATOM 486 CE2 TYR A 28 8.970 -10.019 -0.958 1.00 0.00 C ATOM 487 CZ TYR A 28 10.241 -10.581 -0.770 1.00 0.00 C ATOM 488 OH TYR A 28 11.316 -9.750 -0.657 1.00 0.00 O ATOM 0 H TYR A 28 4.608 -14.221 -1.745 1.00 0.00 H new ATOM 0 HA TYR A 28 6.539 -13.121 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.879 -12.521 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.822 -13.887 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.371 -13.880 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.873 -10.407 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.367 -12.413 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.853 -8.945 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 28 12.111 -10.192 -1.021 1.00 0.00 H new ATOM 498 N GLU A 29 7.508 -16.025 -2.099 1.00 0.00 N ATOM 499 CA GLU A 29 8.538 -17.009 -2.241 1.00 0.00 C ATOM 500 C GLU A 29 8.505 -17.584 -3.648 1.00 0.00 C ATOM 501 O GLU A 29 9.551 -17.710 -4.286 1.00 0.00 O ATOM 502 CB GLU A 29 8.506 -18.079 -1.159 1.00 0.00 C ATOM 503 CG GLU A 29 9.865 -18.788 -1.213 1.00 0.00 C ATOM 504 CD GLU A 29 11.014 -17.851 -0.827 1.00 0.00 C ATOM 505 OE1 GLU A 29 11.168 -17.585 0.379 1.00 0.00 O ATOM 506 OE2 GLU A 29 11.626 -17.278 -1.764 1.00 0.00 O ATOM 0 H GLU A 29 6.738 -16.280 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 29 9.498 -16.513 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.338 -17.635 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.693 -18.784 -1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.854 -19.645 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.033 -19.174 -2.218 1.00 0.00 H new ATOM 513 N ARG A 30 7.317 -17.817 -4.194 1.00 0.00 N ATOM 514 CA ARG A 30 7.242 -18.580 -5.418 1.00 0.00 C ATOM 515 C ARG A 30 7.748 -17.674 -6.548 1.00 0.00 C ATOM 516 O ARG A 30 8.530 -18.118 -7.385 1.00 0.00 O ATOM 517 CB ARG A 30 5.777 -18.977 -5.677 1.00 0.00 C ATOM 518 CG ARG A 30 5.599 -19.780 -6.976 1.00 0.00 C ATOM 519 CD ARG A 30 4.143 -19.784 -7.460 1.00 0.00 C ATOM 520 NE ARG A 30 3.707 -18.438 -7.889 1.00 0.00 N ATOM 521 CZ ARG A 30 2.748 -18.172 -8.794 1.00 0.00 C ATOM 522 NH1 ARG A 30 2.094 -19.171 -9.384 1.00 0.00 N ATOM 523 NH2 ARG A 30 2.442 -16.913 -9.096 1.00 0.00 N ATOM 0 H ARG A 30 6.424 -17.498 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 30 7.843 -19.488 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.411 -19.568 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.164 -18.077 -5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.237 -19.358 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.929 -20.806 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.037 -20.483 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.494 -20.139 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 30 4.175 -17.640 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.320 -20.138 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.367 -18.970 -10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.935 -16.145 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.714 -16.716 -9.783 1.00 0.00 H new ATOM 537 N GLN A 31 7.370 -16.394 -6.553 1.00 0.00 N ATOM 538 CA GLN A 31 8.031 -15.386 -7.367 1.00 0.00 C ATOM 539 C GLN A 31 8.007 -14.068 -6.598 1.00 0.00 C ATOM 540 O GLN A 31 7.061 -13.788 -5.872 1.00 0.00 O ATOM 541 CB GLN A 31 7.413 -15.308 -8.771 1.00 0.00 C ATOM 542 CG GLN A 31 5.965 -14.798 -8.778 1.00 0.00 C ATOM 543 CD GLN A 31 5.117 -15.459 -9.863 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.167 -16.674 -10.022 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.267 -14.709 -10.550 1.00 0.00 N ATOM 0 H GLN A 31 6.598 -16.033 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 31 9.073 -15.650 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.023 -14.652 -9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.443 -16.297 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.513 -14.985 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.964 -13.718 -8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.242 -13.700 -10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.638 -15.141 -11.227 1.00 0.00 H new ATOM 554 N LYS A 32 9.082 -13.285 -6.702 1.00 0.00 N ATOM 555 CA LYS A 32 9.295 -12.111 -5.862 1.00 0.00 C ATOM 556 C LYS A 32 9.357 -10.826 -6.691 1.00 0.00 C ATOM 557 O LYS A 32 9.933 -9.837 -6.237 1.00 0.00 O ATOM 558 CB LYS A 32 10.502 -12.338 -4.925 1.00 0.00 C ATOM 559 CG LYS A 32 11.805 -12.826 -5.581 1.00 0.00 C ATOM 560 CD LYS A 32 12.605 -13.792 -4.678 1.00 0.00 C ATOM 561 CE LYS A 32 12.154 -15.270 -4.759 1.00 0.00 C ATOM 562 NZ LYS A 32 11.184 -15.689 -3.725 1.00 0.00 N ATOM 0 H LYS A 32 9.831 -13.450 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 32 8.433 -11.968 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.712 -11.402 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.211 -13.064 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.568 -13.326 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.428 -11.965 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.659 -13.732 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.521 -13.456 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.713 -15.446 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.036 -15.907 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.715 -16.567 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.683 -15.852 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.471 -14.943 -3.595 1.00 0.00 H new ATOM 576 N ASN A 33 8.737 -10.805 -7.872 1.00 0.00 N ATOM 577 CA ASN A 33 8.518 -9.604 -8.671 1.00 0.00 C ATOM 578 C ASN A 33 7.039 -9.621 -9.061 1.00 0.00 C ATOM 579 O ASN A 33 6.634 -10.596 -9.687 1.00 0.00 O ATOM 580 CB ASN A 33 9.382 -9.628 -9.939 1.00 0.00 C ATOM 581 CG ASN A 33 10.837 -9.261 -9.669 1.00 0.00 C ATOM 582 OD1 ASN A 33 11.158 -8.107 -9.381 1.00 0.00 O ATOM 583 ND2 ASN A 33 11.746 -10.221 -9.777 1.00 0.00 N ATOM 0 H ASN A 33 8.364 -11.648 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 33 8.785 -8.709 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.339 -10.622 -10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.966 -8.934 -10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.732 -10.010 -9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.459 -11.170 -10.016 1.00 0.00 H new ATOM 590 N PRO A 34 6.252 -8.595 -8.695 1.00 0.00 N ATOM 591 CA PRO A 34 4.801 -8.642 -8.775 1.00 0.00 C ATOM 592 C PRO A 34 4.324 -8.651 -10.226 1.00 0.00 C ATOM 593 O PRO A 34 4.247 -7.598 -10.866 1.00 0.00 O ATOM 594 CB PRO A 34 4.311 -7.417 -8.003 1.00 0.00 C ATOM 595 CG PRO A 34 5.467 -6.425 -8.120 1.00 0.00 C ATOM 596 CD PRO A 34 6.689 -7.341 -8.095 1.00 0.00 C ATOM 0 HA PRO A 34 4.397 -9.558 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.394 -7.014 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.096 -7.660 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.413 -5.845 -9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.476 -5.713 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.516 -6.906 -8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.041 -7.496 -7.075 1.00 0.00 H new ATOM 604 N SER A 35 3.981 -9.829 -10.736 1.00 0.00 N ATOM 605 CA SER A 35 3.643 -10.040 -12.128 1.00 0.00 C ATOM 606 C SER A 35 2.179 -9.651 -12.375 1.00 0.00 C ATOM 607 O SER A 35 1.861 -8.462 -12.399 1.00 0.00 O ATOM 608 CB SER A 35 4.021 -11.484 -12.488 1.00 0.00 C ATOM 609 OG SER A 35 5.389 -11.680 -12.167 1.00 0.00 O ATOM 0 H SER A 35 3.931 -10.680 -10.175 1.00 0.00 H new ATOM 0 HA SER A 35 4.208 -9.396 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.397 -12.188 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.850 -11.668 -13.549 1.00 0.00 H new ATOM 0 HG SER A 35 5.488 -11.764 -11.196 1.00 0.00 H new ATOM 615 N LYS A 36 1.270 -10.612 -12.548 1.00 0.00 N ATOM 616 CA LYS A 36 -0.140 -10.333 -12.801 1.00 0.00 C ATOM 617 C LYS A 36 -0.963 -11.447 -12.170 1.00 0.00 C ATOM 618 O LYS A 36 -1.596 -11.221 -11.148 1.00 0.00 O ATOM 619 CB LYS A 36 -0.389 -10.198 -14.315 1.00 0.00 C ATOM 620 CG LYS A 36 -1.871 -9.965 -14.665 1.00 0.00 C ATOM 621 CD LYS A 36 -2.201 -8.481 -14.885 1.00 0.00 C ATOM 622 CE LYS A 36 -3.726 -8.274 -14.888 1.00 0.00 C ATOM 623 NZ LYS A 36 -4.248 -8.016 -13.530 1.00 0.00 N ATOM 0 H LYS A 36 1.494 -11.607 -12.516 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.439 -9.385 -12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.204 -9.370 -14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.041 -11.101 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.120 -10.526 -15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.496 -10.357 -13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.746 -7.879 -14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.778 -8.143 -15.831 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.978 -7.437 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.212 -9.157 -15.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.274 -8.183 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.784 -8.654 -12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.054 -7.029 -13.265 1.00 0.00 H new ATOM 637 N GLU A 37 -0.901 -12.626 -12.787 1.00 0.00 N ATOM 638 CA GLU A 37 -1.475 -13.886 -12.342 1.00 0.00 C ATOM 639 C GLU A 37 -1.427 -13.959 -10.815 1.00 0.00 C ATOM 640 O GLU A 37 -2.452 -13.884 -10.143 1.00 0.00 O ATOM 641 CB GLU A 37 -0.641 -14.966 -13.061 1.00 0.00 C ATOM 642 CG GLU A 37 -0.667 -16.370 -12.448 1.00 0.00 C ATOM 643 CD GLU A 37 0.579 -16.701 -11.640 1.00 0.00 C ATOM 644 OE1 GLU A 37 1.432 -15.812 -11.411 1.00 0.00 O ATOM 645 OE2 GLU A 37 0.678 -17.846 -11.164 1.00 0.00 O ATOM 0 H GLU A 37 -0.411 -12.728 -13.676 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.529 -14.015 -12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.990 -15.037 -14.091 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.395 -14.629 -13.098 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.542 -16.461 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.779 -17.104 -13.246 1.00 0.00 H new ATOM 652 N GLU A 38 -0.201 -13.988 -10.310 1.00 0.00 N ATOM 653 CA GLU A 38 0.210 -13.835 -8.933 1.00 0.00 C ATOM 654 C GLU A 38 -0.742 -12.928 -8.169 1.00 0.00 C ATOM 655 O GLU A 38 -1.380 -13.340 -7.209 1.00 0.00 O ATOM 656 CB GLU A 38 1.611 -13.226 -9.047 1.00 0.00 C ATOM 657 CG GLU A 38 2.435 -12.978 -7.781 1.00 0.00 C ATOM 658 CD GLU A 38 3.730 -12.267 -8.145 1.00 0.00 C ATOM 659 OE1 GLU A 38 4.018 -12.209 -9.364 1.00 0.00 O ATOM 660 OE2 GLU A 38 4.392 -11.754 -7.226 1.00 0.00 O ATOM 0 H GLU A 38 0.604 -14.134 -10.919 1.00 0.00 H new ATOM 0 HA GLU A 38 0.206 -14.773 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.198 -13.877 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.510 -12.271 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.863 -12.375 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.655 -13.924 -7.287 1.00 0.00 H new ATOM 667 N ARG A 39 -0.824 -11.670 -8.581 1.00 0.00 N ATOM 668 CA ARG A 39 -1.559 -10.665 -7.856 1.00 0.00 C ATOM 669 C ARG A 39 -3.052 -10.961 -7.859 1.00 0.00 C ATOM 670 O ARG A 39 -3.684 -10.858 -6.808 1.00 0.00 O ATOM 671 CB ARG A 39 -1.169 -9.277 -8.396 1.00 0.00 C ATOM 672 CG ARG A 39 -2.124 -8.148 -7.993 1.00 0.00 C ATOM 673 CD ARG A 39 -1.441 -6.771 -8.094 1.00 0.00 C ATOM 674 NE ARG A 39 -0.841 -6.533 -9.415 1.00 0.00 N ATOM 675 CZ ARG A 39 -1.449 -6.005 -10.487 1.00 0.00 C ATOM 676 NH1 ARG A 39 -2.695 -5.530 -10.435 1.00 0.00 N ATOM 677 NH2 ARG A 39 -0.770 -5.941 -11.627 1.00 0.00 N ATOM 0 H ARG A 39 -0.378 -11.326 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.291 -10.677 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.167 -9.032 -8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.121 -9.324 -9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.004 -8.167 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.471 -8.310 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.173 -5.990 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.668 -6.696 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 39 0.138 -6.797 -9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.217 -5.562 -9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.126 -5.135 -11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.188 -6.288 -11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.207 -5.544 -12.459 1.00 0.00 H new ATOM 691 N GLU A 40 -3.609 -11.324 -9.010 1.00 0.00 N ATOM 692 CA GLU A 40 -5.011 -11.692 -9.116 1.00 0.00 C ATOM 693 C GLU A 40 -5.294 -12.796 -8.084 1.00 0.00 C ATOM 694 O GLU A 40 -6.165 -12.654 -7.223 1.00 0.00 O ATOM 695 CB GLU A 40 -5.315 -12.125 -10.555 1.00 0.00 C ATOM 696 CG GLU A 40 -6.271 -11.158 -11.277 1.00 0.00 C ATOM 697 CD GLU A 40 -5.614 -9.854 -11.692 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.375 -9.713 -11.590 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.317 -8.980 -12.246 1.00 0.00 O ATOM 0 H GLU A 40 -3.100 -11.370 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.667 -10.850 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.382 -12.192 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.753 -13.123 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.673 -11.651 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.115 -10.938 -10.623 1.00 0.00 H new ATOM 706 N THR A 41 -4.498 -13.865 -8.142 1.00 0.00 N ATOM 707 CA THR A 41 -4.504 -14.950 -7.182 1.00 0.00 C ATOM 708 C THR A 41 -4.470 -14.406 -5.758 1.00 0.00 C ATOM 709 O THR A 41 -5.340 -14.738 -4.961 1.00 0.00 O ATOM 710 CB THR A 41 -3.334 -15.910 -7.473 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.763 -16.933 -8.348 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.696 -16.518 -6.216 1.00 0.00 C ATOM 0 H THR A 41 -3.812 -13.996 -8.886 1.00 0.00 H new ATOM 0 HA THR A 41 -5.429 -15.518 -7.279 1.00 0.00 H new ATOM 0 HB THR A 41 -2.553 -15.310 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.016 -17.540 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.881 -17.181 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.307 -15.720 -5.583 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.446 -17.085 -5.665 1.00 0.00 H new ATOM 720 N LEU A 42 -3.468 -13.593 -5.422 1.00 0.00 N ATOM 721 CA LEU A 42 -3.244 -13.157 -4.064 1.00 0.00 C ATOM 722 C LEU A 42 -4.518 -12.516 -3.545 1.00 0.00 C ATOM 723 O LEU A 42 -4.915 -12.778 -2.417 1.00 0.00 O ATOM 724 CB LEU A 42 -2.092 -12.147 -3.992 1.00 0.00 C ATOM 725 CG LEU A 42 -0.715 -12.735 -3.628 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.239 -12.775 -4.822 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.070 -11.876 -2.541 1.00 0.00 C ATOM 0 H LEU A 42 -2.794 -13.224 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.975 -14.019 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.010 -11.646 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.347 -11.383 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.885 -13.756 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.194 -13.198 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.191 -13.392 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.395 -11.764 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.905 -12.289 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.054 -10.857 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.708 -11.868 -1.657 1.00 0.00 H new ATOM 739 N VAL A 43 -5.159 -11.666 -4.345 1.00 0.00 N ATOM 740 CA VAL A 43 -6.396 -11.060 -3.903 1.00 0.00 C ATOM 741 C VAL A 43 -7.425 -12.130 -3.562 1.00 0.00 C ATOM 742 O VAL A 43 -7.986 -12.087 -2.472 1.00 0.00 O ATOM 743 CB VAL A 43 -6.955 -10.088 -4.940 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.235 -9.486 -4.353 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.986 -8.941 -5.196 1.00 0.00 C ATOM 0 H VAL A 43 -4.847 -11.392 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.175 -10.486 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.129 -10.621 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.667 -8.783 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.951 -10.282 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.999 -8.963 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.410 -8.265 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.812 -8.397 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.041 -9.339 -5.566 1.00 0.00 H new ATOM 755 N GLU A 44 -7.693 -13.035 -4.498 1.00 0.00 N ATOM 756 CA GLU A 44 -8.667 -14.108 -4.375 1.00 0.00 C ATOM 757 C GLU A 44 -8.444 -14.877 -3.075 1.00 0.00 C ATOM 758 O GLU A 44 -9.317 -15.030 -2.217 1.00 0.00 O ATOM 759 CB GLU A 44 -8.449 -15.047 -5.571 1.00 0.00 C ATOM 760 CG GLU A 44 -9.640 -15.142 -6.511 1.00 0.00 C ATOM 761 CD GLU A 44 -10.818 -15.871 -5.909 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.533 -15.304 -5.063 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.972 -17.075 -6.195 1.00 0.00 O ATOM 0 H GLU A 44 -7.216 -13.039 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.681 -13.709 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.581 -14.704 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.214 -16.044 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.950 -14.137 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.334 -15.652 -7.424 1.00 0.00 H new ATOM 770 N GLU A 45 -7.231 -15.393 -2.966 1.00 0.00 N ATOM 771 CA GLU A 45 -6.829 -16.282 -1.913 1.00 0.00 C ATOM 772 C GLU A 45 -6.914 -15.527 -0.589 1.00 0.00 C ATOM 773 O GLU A 45 -7.502 -15.998 0.388 1.00 0.00 O ATOM 774 CB GLU A 45 -5.415 -16.790 -2.240 1.00 0.00 C ATOM 775 CG GLU A 45 -5.290 -18.298 -2.045 1.00 0.00 C ATOM 776 CD GLU A 45 -3.847 -18.770 -2.079 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.987 -17.998 -2.561 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.624 -19.885 -1.563 1.00 0.00 O ATOM 0 H GLU A 45 -6.485 -15.193 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.478 -17.153 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.168 -16.536 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.691 -16.281 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.738 -18.576 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.855 -18.810 -2.824 1.00 0.00 H new ATOM 785 N CYS A 46 -6.366 -14.311 -0.579 1.00 0.00 N ATOM 786 CA CYS A 46 -6.394 -13.470 0.605 1.00 0.00 C ATOM 787 C CYS A 46 -7.837 -13.238 1.020 1.00 0.00 C ATOM 788 O CYS A 46 -8.163 -13.316 2.196 1.00 0.00 O ATOM 789 CB CYS A 46 -5.822 -12.071 0.358 1.00 0.00 C ATOM 790 SG CYS A 46 -5.641 -11.325 1.995 1.00 0.00 S ATOM 0 H CYS A 46 -5.898 -13.891 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.799 -13.990 1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.863 -12.125 -0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.488 -11.480 -0.271 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.464 -11.894 2.825 1.00 0.00 H new ATOM 796 N ASN A 47 -8.689 -12.903 0.049 1.00 0.00 N ATOM 797 CA ASN A 47 -10.100 -12.592 0.239 1.00 0.00 C ATOM 798 C ASN A 47 -10.743 -13.755 0.970 1.00 0.00 C ATOM 799 O ASN A 47 -11.376 -13.555 2.003 1.00 0.00 O ATOM 800 CB ASN A 47 -10.817 -12.329 -1.099 1.00 0.00 C ATOM 801 CG ASN A 47 -10.972 -10.842 -1.384 1.00 0.00 C ATOM 802 OD1 ASN A 47 -12.085 -10.328 -1.427 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.866 -10.137 -1.589 1.00 0.00 N ATOM 0 H ASN A 47 -8.400 -12.840 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.189 -11.676 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.256 -12.796 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.801 -12.798 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.927 -9.139 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.955 -10.594 -1.546 1.00 0.00 H new ATOM 810 N ARG A 48 -10.539 -14.974 0.460 1.00 0.00 N ATOM 811 CA ARG A 48 -10.945 -16.201 1.134 1.00 0.00 C ATOM 812 C ARG A 48 -10.540 -16.129 2.608 1.00 0.00 C ATOM 813 O ARG A 48 -11.362 -16.279 3.514 1.00 0.00 O ATOM 814 CB ARG A 48 -10.274 -17.420 0.466 1.00 0.00 C ATOM 815 CG ARG A 48 -11.225 -18.616 0.329 1.00 0.00 C ATOM 816 CD ARG A 48 -11.935 -18.557 -1.027 1.00 0.00 C ATOM 817 NE ARG A 48 -10.972 -18.798 -2.116 1.00 0.00 N ATOM 818 CZ ARG A 48 -11.058 -18.314 -3.365 1.00 0.00 C ATOM 819 NH1 ARG A 48 -12.115 -17.584 -3.721 1.00 0.00 N ATOM 820 NH2 ARG A 48 -10.091 -18.583 -4.242 1.00 0.00 N ATOM 0 H ARG A 48 -10.084 -15.133 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.027 -16.311 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.911 -17.134 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.404 -17.717 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.668 -19.548 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.958 -18.604 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.729 -19.302 -1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.406 -17.583 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.167 -19.386 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.855 -17.395 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.184 -17.215 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.293 -19.153 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.149 -18.219 -5.193 1.00 0.00 H new ATOM 834 N ALA A 49 -9.249 -15.905 2.829 1.00 0.00 N ATOM 835 CA ALA A 49 -8.653 -15.938 4.144 1.00 0.00 C ATOM 836 C ALA A 49 -9.276 -14.902 5.077 1.00 0.00 C ATOM 837 O ALA A 49 -9.691 -15.247 6.184 1.00 0.00 O ATOM 838 CB ALA A 49 -7.134 -15.833 4.013 1.00 0.00 C ATOM 0 H ALA A 49 -8.585 -15.693 2.084 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.868 -16.894 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.681 -15.858 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.761 -16.670 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.875 -14.897 3.519 1.00 0.00 H new ATOM 844 N GLU A 50 -9.387 -13.641 4.671 1.00 0.00 N ATOM 845 CA GLU A 50 -9.897 -12.633 5.578 1.00 0.00 C ATOM 846 C GLU A 50 -11.414 -12.758 5.742 1.00 0.00 C ATOM 847 O GLU A 50 -11.942 -12.456 6.814 1.00 0.00 O ATOM 848 CB GLU A 50 -9.364 -11.241 5.249 1.00 0.00 C ATOM 849 CG GLU A 50 -9.692 -10.698 3.856 1.00 0.00 C ATOM 850 CD GLU A 50 -9.259 -9.249 3.691 1.00 0.00 C ATOM 851 OE1 GLU A 50 -8.825 -8.636 4.693 1.00 0.00 O ATOM 852 OE2 GLU A 50 -9.388 -8.749 2.558 1.00 0.00 O ATOM 0 H GLU A 50 -9.136 -13.303 3.742 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.503 -12.816 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.754 -10.542 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.280 -11.254 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.198 -11.312 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.765 -10.778 3.679 1.00 0.00 H new ATOM 859 N CYS A 51 -12.116 -13.298 4.740 1.00 0.00 N ATOM 860 CA CYS A 51 -13.494 -13.740 4.938 1.00 0.00 C ATOM 861 C CYS A 51 -13.562 -14.713 6.111 1.00 0.00 C ATOM 862 O CYS A 51 -14.403 -14.542 6.988 1.00 0.00 O ATOM 863 CB CYS A 51 -14.160 -14.300 3.671 1.00 0.00 C ATOM 864 SG CYS A 51 -14.613 -16.048 3.820 1.00 0.00 S ATOM 0 H CYS A 51 -11.755 -13.437 3.796 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.083 -12.855 5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.054 -13.717 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.482 -14.177 2.827 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.761 -16.149 4.422 1.00 0.00 H new ATOM 870 N ILE A 52 -12.650 -15.687 6.182 1.00 0.00 N ATOM 871 CA ILE A 52 -12.644 -16.650 7.269 1.00 0.00 C ATOM 872 C ILE A 52 -12.362 -15.887 8.561 1.00 0.00 C ATOM 873 O ILE A 52 -13.075 -16.053 9.549 1.00 0.00 O ATOM 874 CB ILE A 52 -11.645 -17.790 6.974 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.219 -18.679 5.856 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.340 -18.621 8.228 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.199 -19.670 5.288 1.00 0.00 C ATOM 0 H ILE A 52 -11.908 -15.823 5.495 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.609 -17.145 7.378 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.701 -17.352 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.075 -19.231 6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.587 -18.045 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.633 -19.412 7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.908 -17.978 8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.262 -19.064 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.668 -20.266 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.353 -19.123 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.849 -20.328 6.083 1.00 0.00 H new ATOM 889 N GLN A 53 -11.361 -15.005 8.549 1.00 0.00 N ATOM 890 CA GLN A 53 -11.033 -14.221 9.733 1.00 0.00 C ATOM 891 C GLN A 53 -12.255 -13.485 10.283 1.00 0.00 C ATOM 892 O GLN A 53 -12.456 -13.495 11.499 1.00 0.00 O ATOM 893 CB GLN A 53 -9.892 -13.230 9.486 1.00 0.00 C ATOM 894 CG GLN A 53 -8.575 -13.943 9.177 1.00 0.00 C ATOM 895 CD GLN A 53 -7.420 -12.956 9.192 1.00 0.00 C ATOM 896 OE1 GLN A 53 -7.327 -12.071 8.352 1.00 0.00 O ATOM 897 NE2 GLN A 53 -6.529 -13.075 10.168 1.00 0.00 N ATOM 0 H GLN A 53 -10.770 -14.819 7.739 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.694 -14.939 10.479 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.154 -12.575 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.765 -12.597 10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.399 -14.729 9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.636 -14.426 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.625 -13.820 10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.748 -12.422 10.228 1.00 0.00 H new ATOM 906 N ARG A 54 -13.040 -12.827 9.428 1.00 0.00 N ATOM 907 CA ARG A 54 -14.217 -12.072 9.848 1.00 0.00 C ATOM 908 C ARG A 54 -15.496 -12.918 9.864 1.00 0.00 C ATOM 909 O ARG A 54 -16.555 -12.413 10.239 1.00 0.00 O ATOM 910 CB ARG A 54 -14.370 -10.805 8.992 1.00 0.00 C ATOM 911 CG ARG A 54 -13.570 -9.631 9.579 1.00 0.00 C ATOM 912 CD ARG A 54 -14.449 -8.705 10.443 1.00 0.00 C ATOM 913 NE ARG A 54 -15.171 -9.418 11.514 1.00 0.00 N ATOM 914 CZ ARG A 54 -16.383 -9.103 11.997 1.00 0.00 C ATOM 915 NH1 ARG A 54 -17.001 -7.985 11.608 1.00 0.00 N ATOM 916 NH2 ARG A 54 -16.955 -9.931 12.868 1.00 0.00 N ATOM 0 H ARG A 54 -12.875 -12.804 8.422 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.059 -11.769 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.030 -11.007 7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.424 -10.533 8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.749 -10.018 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.125 -9.055 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.822 -7.933 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.171 -8.199 9.802 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.705 -10.226 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.552 -7.361 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.922 -7.755 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.473 -10.783 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.876 -9.714 13.249 1.00 0.00 H new ATOM 930 N GLY A 55 -15.421 -14.185 9.462 1.00 0.00 N ATOM 931 CA GLY A 55 -16.581 -15.039 9.288 1.00 0.00 C ATOM 932 C GLY A 55 -17.592 -14.416 8.327 1.00 0.00 C ATOM 933 O GLY A 55 -18.796 -14.502 8.568 1.00 0.00 O ATOM 0 H GLY A 55 -14.538 -14.648 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.266 -16.011 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.055 -15.213 10.254 1.00 0.00 H new ATOM 937 N VAL A 56 -17.123 -13.784 7.251 1.00 0.00 N ATOM 938 CA VAL A 56 -18.003 -13.375 6.169 1.00 0.00 C ATOM 939 C VAL A 56 -18.335 -14.620 5.346 1.00 0.00 C ATOM 940 O VAL A 56 -17.613 -15.614 5.357 1.00 0.00 O ATOM 941 CB VAL A 56 -17.370 -12.254 5.321 1.00 0.00 C ATOM 942 CG1 VAL A 56 -18.288 -11.770 4.191 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.090 -11.016 6.166 1.00 0.00 C ATOM 0 H VAL A 56 -16.141 -13.547 7.110 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.925 -12.950 6.566 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.460 -12.695 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.788 -10.981 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.515 -12.602 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -19.214 -11.382 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.644 -10.242 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.024 -10.646 6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.402 -11.273 6.972 1.00 0.00 H new ATOM 953 N SER A 57 -19.450 -14.556 4.628 1.00 0.00 N ATOM 954 CA SER A 57 -19.826 -15.526 3.614 1.00 0.00 C ATOM 955 C SER A 57 -18.648 -15.709 2.638 1.00 0.00 C ATOM 956 O SER A 57 -18.144 -14.698 2.150 1.00 0.00 O ATOM 957 CB SER A 57 -21.013 -14.934 2.856 1.00 0.00 C ATOM 958 OG SER A 57 -22.217 -15.652 3.047 1.00 0.00 O ATOM 0 H SER A 57 -20.134 -13.807 4.740 1.00 0.00 H new ATOM 0 HA SER A 57 -20.079 -16.489 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.160 -13.902 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.779 -14.909 1.792 1.00 0.00 H new ATOM 0 HG SER A 57 -22.828 -15.124 3.602 1.00 0.00 H new ATOM 964 N PRO A 58 -18.250 -16.938 2.277 1.00 0.00 N ATOM 965 CA PRO A 58 -17.154 -17.156 1.343 1.00 0.00 C ATOM 966 C PRO A 58 -17.424 -16.459 0.014 1.00 0.00 C ATOM 967 O PRO A 58 -16.623 -15.665 -0.472 1.00 0.00 O ATOM 968 CB PRO A 58 -17.010 -18.677 1.210 1.00 0.00 C ATOM 969 CG PRO A 58 -18.372 -19.225 1.639 1.00 0.00 C ATOM 970 CD PRO A 58 -18.865 -18.198 2.661 1.00 0.00 C ATOM 0 HA PRO A 58 -16.218 -16.725 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.770 -18.966 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.210 -19.058 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.055 -19.310 0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.284 -20.219 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.952 -18.123 2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.577 -18.483 3.673 1.00 0.00 H new ATOM 978 N SER A 59 -18.602 -16.703 -0.546 1.00 0.00 N ATOM 979 CA SER A 59 -19.041 -16.130 -1.806 1.00 0.00 C ATOM 980 C SER A 59 -19.437 -14.656 -1.662 1.00 0.00 C ATOM 981 O SER A 59 -20.038 -14.093 -2.577 1.00 0.00 O ATOM 982 CB SER A 59 -20.213 -16.989 -2.300 1.00 0.00 C ATOM 983 OG SER A 59 -20.998 -17.405 -1.188 1.00 0.00 O ATOM 0 H SER A 59 -19.294 -17.321 -0.123 1.00 0.00 H new ATOM 0 HA SER A 59 -18.226 -16.138 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.826 -16.420 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.838 -17.859 -2.840 1.00 0.00 H new ATOM 0 HG SER A 59 -21.748 -17.952 -1.503 1.00 0.00 H new ATOM 989 N GLN A 60 -19.163 -14.026 -0.517 1.00 0.00 N ATOM 990 CA GLN A 60 -19.436 -12.620 -0.303 1.00 0.00 C ATOM 991 C GLN A 60 -18.314 -12.001 0.525 1.00 0.00 C ATOM 992 O GLN A 60 -18.583 -11.077 1.288 1.00 0.00 O ATOM 993 CB GLN A 60 -20.793 -12.433 0.401 1.00 0.00 C ATOM 994 CG GLN A 60 -21.950 -13.232 -0.221 1.00 0.00 C ATOM 995 CD GLN A 60 -23.268 -12.898 0.463 1.00 0.00 C ATOM 996 OE1 GLN A 60 -23.948 -11.952 0.077 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.652 -13.632 1.505 1.00 0.00 N ATOM 0 H GLN A 60 -18.742 -14.489 0.288 1.00 0.00 H new ATOM 0 HA GLN A 60 -19.485 -12.117 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.689 -12.723 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -21.052 -11.374 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -22.021 -13.009 -1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.749 -14.300 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.078 -14.416 1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.520 -13.411 1.992 1.00 0.00 H new ATOM 1006 N ALA A 61 -17.069 -12.467 0.374 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.934 -11.896 1.105 1.00 0.00 C ATOM 1008 C ALA A 61 -15.861 -10.382 0.888 1.00 0.00 C ATOM 1009 O ALA A 61 -15.473 -9.637 1.777 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.634 -12.571 0.656 1.00 0.00 C ATOM 0 H ALA A 61 -16.823 -13.237 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.073 -12.077 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.794 -12.143 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.691 -13.641 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.491 -12.411 -0.413 1.00 0.00 H new ATOM 1016 N GLN A 62 -16.387 -9.919 -0.244 1.00 0.00 N ATOM 1017 CA GLN A 62 -16.653 -8.530 -0.581 1.00 0.00 C ATOM 1018 C GLN A 62 -17.160 -7.723 0.624 1.00 0.00 C ATOM 1019 O GLN A 62 -16.763 -6.573 0.823 1.00 0.00 O ATOM 1020 CB GLN A 62 -17.668 -8.476 -1.724 1.00 0.00 C ATOM 1021 CG GLN A 62 -17.118 -8.881 -3.102 1.00 0.00 C ATOM 1022 CD GLN A 62 -16.645 -10.330 -3.172 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -17.250 -11.217 -2.574 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -15.524 -10.569 -3.834 1.00 0.00 N ATOM 0 H GLN A 62 -16.655 -10.551 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 62 -15.714 -8.073 -0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -18.505 -9.129 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.063 -7.462 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.892 -8.724 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -16.287 -8.224 -3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.047 -9.810 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.137 -11.513 -3.858 1.00 0.00 H new ATOM 1033 N GLY A 63 -18.047 -8.310 1.428 1.00 0.00 N ATOM 1034 CA GLY A 63 -18.701 -7.681 2.563 1.00 0.00 C ATOM 1035 C GLY A 63 -17.803 -7.521 3.792 1.00 0.00 C ATOM 1036 O GLY A 63 -18.276 -7.586 4.925 1.00 0.00 O ATOM 0 H GLY A 63 -18.338 -9.279 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -19.064 -6.698 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.574 -8.272 2.839 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.522 -7.230 3.587 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.592 -6.672 4.564 1.00 0.00 C ATOM 1042 C LEU A 64 -14.842 -5.468 4.010 1.00 0.00 C ATOM 1043 O LEU A 64 -13.716 -5.193 4.409 1.00 0.00 O ATOM 1044 CB LEU A 64 -14.738 -7.768 5.222 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.837 -8.526 4.245 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -12.357 -8.217 4.390 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.998 -10.041 4.383 1.00 0.00 C ATOM 0 H LEU A 64 -16.079 -7.386 2.682 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.157 -6.253 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.118 -7.315 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.398 -8.480 5.718 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.170 -8.180 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.791 -8.796 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.189 -7.154 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.027 -8.479 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.342 -10.543 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.735 -10.344 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.033 -10.317 4.179 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.509 -4.720 3.130 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.077 -3.468 2.522 1.00 0.00 C ATOM 1061 C GLY A 65 -14.088 -2.621 3.334 1.00 0.00 C ATOM 1062 O GLY A 65 -13.114 -2.132 2.758 1.00 0.00 O ATOM 0 H GLY A 65 -16.434 -4.997 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.621 -3.696 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.961 -2.863 2.321 1.00 0.00 H new ATOM 1066 N SER A 66 -14.298 -2.416 4.642 1.00 0.00 N ATOM 1067 CA SER A 66 -13.371 -1.744 5.529 1.00 0.00 C ATOM 1068 C SER A 66 -11.933 -2.167 5.239 1.00 0.00 C ATOM 1069 O SER A 66 -11.035 -1.348 5.038 1.00 0.00 O ATOM 1070 CB SER A 66 -13.736 -2.151 6.963 1.00 0.00 C ATOM 1071 OG SER A 66 -14.392 -1.111 7.664 1.00 0.00 O ATOM 0 H SER A 66 -15.147 -2.727 5.115 1.00 0.00 H new ATOM 0 HA SER A 66 -13.440 -0.665 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.379 -3.031 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.831 -2.434 7.500 1.00 0.00 H new ATOM 0 HG SER A 66 -14.608 -1.413 8.571 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.758 -3.476 5.284 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.502 -4.186 5.259 1.00 0.00 C ATOM 1079 C ASN A 67 -10.174 -4.564 3.824 1.00 0.00 C ATOM 1080 O ASN A 67 -9.093 -4.230 3.333 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.678 -5.456 6.104 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.640 -5.160 7.594 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -11.539 -4.510 8.131 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -9.621 -5.623 8.295 1.00 0.00 N ATOM 0 H ASN A 67 -12.553 -4.113 5.343 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.693 -3.572 5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.627 -5.930 5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.891 -6.168 5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.569 -5.445 9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.886 -6.159 7.833 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.194 -5.063 3.118 1.00 0.00 N ATOM 1092 CA LEU A 68 -11.048 -5.899 1.931 1.00 0.00 C ATOM 1093 C LEU A 68 -9.847 -5.597 1.049 1.00 0.00 C ATOM 1094 O LEU A 68 -9.644 -4.482 0.554 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.312 -5.825 1.074 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.353 -6.967 0.042 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -13.335 -8.041 0.502 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.741 -6.447 -1.341 1.00 0.00 C ATOM 0 H LEU A 68 -12.168 -4.890 3.366 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.881 -6.899 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.192 -5.878 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.350 -4.865 0.559 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.356 -7.400 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.362 -8.848 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.016 -8.437 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.330 -7.607 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.762 -7.276 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.728 -5.986 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.011 -5.707 -1.670 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.061 -6.647 0.871 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.939 -6.716 -0.022 1.00 0.00 C ATOM 1112 C VAL A 69 -8.428 -6.639 -1.462 1.00 0.00 C ATOM 1113 O VAL A 69 -9.446 -7.216 -1.838 1.00 0.00 O ATOM 1114 CB VAL A 69 -7.111 -7.970 0.289 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -6.038 -8.239 -0.773 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.443 -7.744 1.654 1.00 0.00 C ATOM 0 H VAL A 69 -9.206 -7.519 1.380 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.273 -5.865 0.121 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.767 -8.840 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.480 -9.137 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.514 -8.382 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.356 -7.390 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.842 -8.616 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.802 -6.864 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.210 -7.592 2.414 1.00 0.00 H new ATOM 1126 N THR A 70 -7.678 -5.879 -2.247 1.00 0.00 N ATOM 1127 CA THR A 70 -7.883 -5.607 -3.650 1.00 0.00 C ATOM 1128 C THR A 70 -6.497 -5.624 -4.304 1.00 0.00 C ATOM 1129 O THR A 70 -5.489 -5.542 -3.592 1.00 0.00 O ATOM 1130 CB THR A 70 -8.587 -4.247 -3.784 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.913 -3.262 -3.023 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.008 -4.310 -3.222 1.00 0.00 C ATOM 0 H THR A 70 -6.850 -5.404 -1.886 1.00 0.00 H new ATOM 0 HA THR A 70 -8.516 -6.345 -4.143 1.00 0.00 H new ATOM 0 HB THR A 70 -8.592 -4.001 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.373 -2.402 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.485 -3.336 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.583 -5.057 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.970 -4.582 -2.167 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.413 -5.748 -5.628 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.138 -5.939 -6.308 1.00 0.00 C ATOM 1142 C GLU A 71 -4.149 -4.819 -5.981 1.00 0.00 C ATOM 1143 O GLU A 71 -2.975 -5.072 -5.724 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.331 -6.252 -7.793 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.165 -5.228 -8.549 1.00 0.00 C ATOM 1146 CD GLU A 71 -5.446 -3.919 -8.739 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -4.221 -3.936 -8.968 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -6.128 -2.879 -8.658 1.00 0.00 O ATOM 0 H GLU A 71 -7.219 -5.719 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.657 -6.834 -5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.352 -6.326 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.805 -7.229 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.435 -5.634 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.095 -5.052 -8.008 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.633 -3.583 -5.903 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.817 -2.432 -5.561 1.00 0.00 C ATOM 1157 C VAL A 72 -3.077 -2.633 -4.232 1.00 0.00 C ATOM 1158 O VAL A 72 -1.963 -2.139 -4.057 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.693 -1.171 -5.559 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.864 -1.264 -4.577 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.862 0.065 -5.221 1.00 0.00 C ATOM 0 H VAL A 72 -5.612 -3.355 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.040 -2.310 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.102 -1.086 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.448 -0.345 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.498 -2.109 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.481 -1.405 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.503 0.947 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.417 -0.055 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.073 0.187 -5.963 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.674 -3.347 -3.276 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.988 -3.630 -2.028 1.00 0.00 C ATOM 1173 C ARG A 73 -1.765 -4.477 -2.334 1.00 0.00 C ATOM 1174 O ARG A 73 -0.662 -4.146 -1.919 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.869 -4.407 -1.054 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.279 -3.863 -0.888 1.00 0.00 C ATOM 1177 CD ARG A 73 -5.403 -2.478 -0.261 1.00 0.00 C ATOM 1178 NE ARG A 73 -6.592 -2.486 0.605 1.00 0.00 N ATOM 1179 CZ ARG A 73 -7.223 -1.424 1.110 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -6.955 -0.197 0.663 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -8.116 -1.597 2.084 1.00 0.00 N ATOM 0 H ARG A 73 -4.616 -3.732 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.721 -2.679 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.932 -5.442 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.383 -4.419 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.753 -3.837 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.847 -4.566 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.510 -2.238 0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.497 -1.715 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.975 -3.400 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.261 -0.062 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.444 0.607 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.311 -2.534 2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.604 -0.792 2.477 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.976 -5.587 -3.039 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.918 -6.522 -3.368 1.00 0.00 C ATOM 1197 C VAL A 74 0.189 -5.752 -4.105 1.00 0.00 C ATOM 1198 O VAL A 74 1.364 -5.821 -3.748 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.485 -7.665 -4.225 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.359 -8.599 -4.672 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.551 -8.482 -3.484 1.00 0.00 C ATOM 0 H VAL A 74 -2.892 -5.858 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.497 -6.969 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.959 -7.203 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.773 -9.404 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.367 -8.038 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.133 -9.021 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.918 -9.276 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.115 -8.921 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.379 -7.831 -3.204 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.204 -4.976 -5.118 1.00 0.00 N ATOM 1212 CA TYR A 75 0.673 -4.080 -5.856 1.00 0.00 C ATOM 1213 C TYR A 75 1.538 -3.304 -4.858 1.00 0.00 C ATOM 1214 O TYR A 75 2.767 -3.374 -4.884 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.191 -3.150 -6.737 1.00 0.00 C ATOM 1216 CG TYR A 75 0.526 -2.374 -7.827 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.410 -1.334 -7.485 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.206 -2.594 -9.183 1.00 0.00 C ATOM 1219 CE1 TYR A 75 1.999 -0.551 -8.489 1.00 0.00 C ATOM 1220 CE2 TYR A 75 0.856 -1.856 -10.189 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.726 -0.809 -9.839 1.00 0.00 C ATOM 1222 OH TYR A 75 2.442 -0.140 -10.783 1.00 0.00 O ATOM 0 H TYR A 75 -1.168 -4.957 -5.452 1.00 0.00 H new ATOM 0 HA TYR A 75 1.342 -4.632 -6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.969 -3.753 -7.206 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.692 -2.435 -6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.636 -1.138 -6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.539 -3.330 -9.449 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.666 0.255 -8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.687 -2.094 -11.229 1.00 0.00 H new ATOM 0 HH TYR A 75 2.148 -0.419 -11.675 1.00 0.00 H new ATOM 1232 N ASN A 76 0.887 -2.567 -3.956 1.00 0.00 N ATOM 1233 CA ASN A 76 1.584 -1.686 -3.035 1.00 0.00 C ATOM 1234 C ASN A 76 2.441 -2.445 -2.018 1.00 0.00 C ATOM 1235 O ASN A 76 3.505 -1.946 -1.655 1.00 0.00 O ATOM 1236 CB ASN A 76 0.671 -0.581 -2.461 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.125 -0.882 -1.192 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.226 -1.720 -0.368 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.188 -0.115 -0.970 1.00 0.00 N ATOM 0 H ASN A 76 -0.127 -2.568 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 76 2.321 -1.129 -3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.292 0.293 -2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.039 -0.299 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.721 -0.220 -0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.470 0.578 -1.663 1.00 0.00 H new ATOM 1246 N TRP A 77 2.034 -3.624 -1.539 1.00 0.00 N ATOM 1247 CA TRP A 77 2.832 -4.392 -0.585 1.00 0.00 C ATOM 1248 C TRP A 77 4.115 -4.828 -1.272 1.00 0.00 C ATOM 1249 O TRP A 77 5.202 -4.562 -0.766 1.00 0.00 O ATOM 1250 CB TRP A 77 2.060 -5.577 0.032 1.00 0.00 C ATOM 1251 CG TRP A 77 2.544 -6.969 -0.262 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.160 -7.700 -1.327 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.477 -7.827 0.471 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.829 -8.895 -1.359 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.626 -9.046 -0.255 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.196 -7.724 1.683 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.428 -10.100 0.186 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.983 -8.796 2.152 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.111 -9.979 1.401 1.00 0.00 C ATOM 0 H TRP A 77 1.153 -4.067 -1.799 1.00 0.00 H new ATOM 0 HA TRP A 77 3.075 -3.754 0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.059 -5.446 1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.024 -5.508 -0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.426 -7.387 -2.055 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.745 -9.583 -2.107 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.142 -6.812 2.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.520 -11.000 -0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.494 -8.708 3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.731 -10.787 1.760 1.00 0.00 H new ATOM 1270 N PHE A 78 3.993 -5.479 -2.430 1.00 0.00 N ATOM 1271 CA PHE A 78 5.152 -6.005 -3.121 1.00 0.00 C ATOM 1272 C PHE A 78 6.081 -4.855 -3.464 1.00 0.00 C ATOM 1273 O PHE A 78 7.241 -4.877 -3.064 1.00 0.00 O ATOM 1274 CB PHE A 78 4.751 -6.788 -4.372 1.00 0.00 C ATOM 1275 CG PHE A 78 4.277 -8.205 -4.111 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.127 -9.118 -3.459 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.095 -8.670 -4.715 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.797 -10.482 -3.416 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.799 -10.044 -4.722 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.646 -10.950 -4.065 1.00 0.00 C ATOM 0 H PHE A 78 3.104 -5.650 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 78 5.671 -6.707 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.959 -6.244 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.604 -6.824 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.035 -8.768 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.413 -7.970 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.432 -11.173 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.918 -10.403 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.412 -12.004 -4.059 1.00 0.00 H new ATOM 1290 N ALA A 79 5.562 -3.837 -4.152 1.00 0.00 N ATOM 1291 CA ALA A 79 6.316 -2.637 -4.478 1.00 0.00 C ATOM 1292 C ALA A 79 7.046 -2.120 -3.241 1.00 0.00 C ATOM 1293 O ALA A 79 8.234 -1.820 -3.255 1.00 0.00 O ATOM 1294 CB ALA A 79 5.357 -1.574 -5.018 1.00 0.00 C ATOM 0 H ALA A 79 4.602 -3.827 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 79 7.061 -2.870 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.916 -0.671 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.863 -1.951 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.608 -1.342 -4.261 1.00 0.00 H new ATOM 1300 N ASN A 80 6.331 -1.992 -2.130 1.00 0.00 N ATOM 1301 CA ASN A 80 6.929 -1.464 -0.919 1.00 0.00 C ATOM 1302 C ASN A 80 8.009 -2.386 -0.353 1.00 0.00 C ATOM 1303 O ASN A 80 9.039 -1.907 0.113 1.00 0.00 O ATOM 1304 CB ASN A 80 5.822 -1.141 0.081 1.00 0.00 C ATOM 1305 CG ASN A 80 6.321 -0.473 1.350 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.424 0.055 1.421 1.00 0.00 O ATOM 1307 ND2 ASN A 80 5.481 -0.467 2.372 1.00 0.00 N ATOM 0 H ASN A 80 5.346 -2.245 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 80 7.457 -0.539 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.091 -0.490 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.304 -2.063 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.746 -0.015 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.569 -0.915 2.285 1.00 0.00 H new ATOM 1314 N ARG A 81 7.834 -3.705 -0.435 1.00 0.00 N ATOM 1315 CA ARG A 81 8.913 -4.624 -0.105 1.00 0.00 C ATOM 1316 C ARG A 81 10.105 -4.395 -1.032 1.00 0.00 C ATOM 1317 O ARG A 81 11.234 -4.393 -0.554 1.00 0.00 O ATOM 1318 CB ARG A 81 8.458 -6.089 -0.125 1.00 0.00 C ATOM 1319 CG ARG A 81 7.544 -6.437 1.054 1.00 0.00 C ATOM 1320 CD ARG A 81 8.322 -6.583 2.373 1.00 0.00 C ATOM 1321 NE ARG A 81 7.404 -6.837 3.493 1.00 0.00 N ATOM 1322 CZ ARG A 81 6.818 -5.903 4.258 1.00 0.00 C ATOM 1323 NH1 ARG A 81 7.289 -4.658 4.305 1.00 0.00 N ATOM 1324 NH2 ARG A 81 5.743 -6.218 4.980 1.00 0.00 N ATOM 0 H ARG A 81 6.964 -4.153 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 81 9.224 -4.414 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.933 -6.290 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.333 -6.738 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.787 -5.661 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.018 -7.367 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.038 -7.401 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.895 -5.676 2.565 1.00 0.00 H new ATOM 0 HE ARG A 81 7.193 -7.812 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.108 -4.401 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.831 -3.961 4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.368 -7.166 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.295 -5.511 5.563 1.00 0.00 H new ATOM 1338 N ARG A 82 9.890 -4.166 -2.333 1.00 0.00 N ATOM 1339 CA ARG A 82 10.992 -3.756 -3.198 1.00 0.00 C ATOM 1340 C ARG A 82 11.687 -2.557 -2.575 1.00 0.00 C ATOM 1341 O ARG A 82 12.898 -2.573 -2.428 1.00 0.00 O ATOM 1342 CB ARG A 82 10.580 -3.405 -4.633 1.00 0.00 C ATOM 1343 CG ARG A 82 9.726 -4.449 -5.348 1.00 0.00 C ATOM 1344 CD ARG A 82 10.496 -5.737 -5.676 1.00 0.00 C ATOM 1345 NE ARG A 82 10.505 -6.690 -4.551 1.00 0.00 N ATOM 1346 CZ ARG A 82 11.573 -7.167 -3.892 1.00 0.00 C ATOM 1347 NH1 ARG A 82 12.811 -6.828 -4.229 1.00 0.00 N ATOM 1348 NH2 ARG A 82 11.408 -7.998 -2.870 1.00 0.00 N ATOM 0 H ARG A 82 8.986 -4.256 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 82 11.654 -4.618 -3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.031 -2.464 -4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.483 -3.236 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.867 -4.696 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.337 -4.020 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.047 -6.213 -6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.522 -5.485 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 82 9.594 -7.026 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.971 -6.189 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.603 -7.207 -3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.469 -8.275 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.220 -8.360 -2.370 1.00 0.00 H new ATOM 1362 N LYS A 83 10.934 -1.534 -2.177 1.00 0.00 N ATOM 1363 CA LYS A 83 11.503 -0.335 -1.585 1.00 0.00 C ATOM 1364 C LYS A 83 12.388 -0.668 -0.384 1.00 0.00 C ATOM 1365 O LYS A 83 13.566 -0.306 -0.341 1.00 0.00 O ATOM 1366 CB LYS A 83 10.377 0.655 -1.240 1.00 0.00 C ATOM 1367 CG LYS A 83 10.764 2.115 -1.482 1.00 0.00 C ATOM 1368 CD LYS A 83 11.083 2.333 -2.971 1.00 0.00 C ATOM 1369 CE LYS A 83 10.362 3.553 -3.549 1.00 0.00 C ATOM 1370 NZ LYS A 83 10.795 4.827 -2.953 1.00 0.00 N ATOM 0 H LYS A 83 9.917 -1.517 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 83 12.159 0.146 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.496 0.416 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.098 0.528 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.950 2.772 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.630 2.376 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.159 2.458 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.798 1.445 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.530 3.589 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.289 3.436 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.268 5.611 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.610 4.812 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.813 4.960 -3.119 1.00 0.00 H new ATOM 1384 N GLU A 84 11.822 -1.394 0.575 1.00 0.00 N ATOM 1385 CA GLU A 84 12.523 -1.910 1.737 1.00 0.00 C ATOM 1386 C GLU A 84 13.773 -2.697 1.317 1.00 0.00 C ATOM 1387 O GLU A 84 14.780 -2.690 2.025 1.00 0.00 O ATOM 1388 CB GLU A 84 11.522 -2.744 2.555 1.00 0.00 C ATOM 1389 CG GLU A 84 11.938 -2.935 4.017 1.00 0.00 C ATOM 1390 CD GLU A 84 10.762 -3.355 4.878 1.00 0.00 C ATOM 1391 OE1 GLU A 84 9.915 -4.139 4.402 1.00 0.00 O ATOM 1392 OE2 GLU A 84 10.680 -2.855 6.021 1.00 0.00 O ATOM 0 H GLU A 84 10.833 -1.645 0.561 1.00 0.00 H new ATOM 0 HA GLU A 84 12.893 -1.100 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.546 -2.260 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.408 -3.722 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.723 -3.689 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.358 -2.006 4.401 1.00 0.00 H new ATOM 1399 N GLU A 85 13.731 -3.349 0.156 1.00 0.00 N ATOM 1400 CA GLU A 85 14.795 -4.206 -0.339 1.00 0.00 C ATOM 1401 C GLU A 85 15.607 -3.544 -1.452 1.00 0.00 C ATOM 1402 O GLU A 85 16.371 -4.220 -2.139 1.00 0.00 O ATOM 1403 CB GLU A 85 14.173 -5.517 -0.820 1.00 0.00 C ATOM 1404 CG GLU A 85 15.186 -6.645 -0.669 1.00 0.00 C ATOM 1405 CD GLU A 85 14.560 -7.966 -1.047 1.00 0.00 C ATOM 1406 OE1 GLU A 85 14.097 -8.032 -2.209 1.00 0.00 O ATOM 1407 OE2 GLU A 85 14.552 -8.859 -0.177 1.00 0.00 O ATOM 0 H GLU A 85 12.934 -3.291 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 85 15.497 -4.397 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.276 -5.740 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.867 -5.426 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.053 -6.452 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.544 -6.686 0.360 1.00 0.00 H new ATOM 1414 N ALA A 86 15.438 -2.243 -1.635 1.00 0.00 N ATOM 1415 CA ALA A 86 16.084 -1.440 -2.658 1.00 0.00 C ATOM 1416 C ALA A 86 16.940 -0.421 -1.926 1.00 0.00 C ATOM 1417 O ALA A 86 18.131 -0.293 -2.221 1.00 0.00 O ATOM 1418 CB ALA A 86 15.033 -0.777 -3.555 1.00 0.00 C ATOM 0 H ALA A 86 14.815 -1.693 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 86 16.706 -2.044 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.531 -0.178 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.428 -1.546 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.392 -0.135 -2.951 1.00 0.00 H new ATOM 1424 N PHE A 87 16.350 0.238 -0.919 1.00 0.00 N ATOM 1425 CA PHE A 87 17.082 1.082 0.013 1.00 0.00 C ATOM 1426 C PHE A 87 18.330 0.340 0.478 1.00 0.00 C ATOM 1427 O PHE A 87 19.426 0.788 0.183 1.00 0.00 O ATOM 1428 CB PHE A 87 16.221 1.508 1.222 1.00 0.00 C ATOM 1429 CG PHE A 87 15.862 2.983 1.282 1.00 0.00 C ATOM 1430 CD1 PHE A 87 15.134 3.581 0.237 1.00 0.00 C ATOM 1431 CD2 PHE A 87 16.320 3.774 2.356 1.00 0.00 C ATOM 1432 CE1 PHE A 87 14.894 4.967 0.252 1.00 0.00 C ATOM 1433 CE2 PHE A 87 16.103 5.162 2.355 1.00 0.00 C ATOM 1434 CZ PHE A 87 15.403 5.761 1.294 1.00 0.00 C ATOM 0 H PHE A 87 15.348 0.195 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 87 17.363 1.999 -0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.298 0.928 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.753 1.244 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.760 2.976 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.839 3.311 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 87 14.317 5.422 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.474 5.768 3.169 1.00 0.00 H new ATOM 0 HZ PHE A 87 15.256 6.831 1.279 1.00 0.00 H new ATOM 1444 N ARG A 88 18.192 -0.800 1.165 1.00 0.00 N ATOM 1445 CA ARG A 88 19.338 -1.501 1.726 1.00 0.00 C ATOM 1446 C ARG A 88 20.335 -1.848 0.625 1.00 0.00 C ATOM 1447 O ARG A 88 21.548 -1.769 0.812 1.00 0.00 O ATOM 1448 CB ARG A 88 18.845 -2.789 2.398 1.00 0.00 C ATOM 1449 CG ARG A 88 19.831 -3.339 3.433 1.00 0.00 C ATOM 1450 CD ARG A 88 19.537 -4.829 3.633 1.00 0.00 C ATOM 1451 NE ARG A 88 20.134 -5.621 2.543 1.00 0.00 N ATOM 1452 CZ ARG A 88 21.372 -6.154 2.587 1.00 0.00 C ATOM 1453 NH1 ARG A 88 22.150 -5.975 3.656 1.00 0.00 N ATOM 1454 NH2 ARG A 88 21.888 -6.843 1.576 1.00 0.00 N ATOM 0 H ARG A 88 17.295 -1.252 1.342 1.00 0.00 H new ATOM 0 HA ARG A 88 19.834 -0.862 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.888 -2.596 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 88 18.668 -3.546 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 88 20.857 -3.197 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.730 -2.802 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.936 -5.159 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.460 -4.993 3.662 1.00 0.00 H new ATOM 0 HE ARG A 88 19.576 -5.776 1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 88 21.810 -5.431 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 88 23.085 -6.382 3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 88 21.343 -6.986 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 88 22.829 -7.230 1.650 1.00 0.00 H new ATOM 1468 N HIS A 89 19.804 -2.282 -0.514 1.00 0.00 N ATOM 1469 CA HIS A 89 20.605 -2.865 -1.563 1.00 0.00 C ATOM 1470 C HIS A 89 21.547 -1.831 -2.170 1.00 0.00 C ATOM 1471 O HIS A 89 22.632 -2.197 -2.615 1.00 0.00 O ATOM 1472 CB HIS A 89 19.696 -3.526 -2.603 1.00 0.00 C ATOM 1473 CG HIS A 89 20.363 -4.691 -3.281 1.00 0.00 C ATOM 1474 ND1 HIS A 89 21.702 -4.775 -3.597 1.00 0.00 N ATOM 1475 CD2 HIS A 89 19.840 -5.953 -3.354 1.00 0.00 C ATOM 1476 CE1 HIS A 89 21.974 -6.067 -3.850 1.00 0.00 C ATOM 1477 NE2 HIS A 89 20.878 -6.829 -3.680 1.00 0.00 N ATOM 0 H HIS A 89 18.808 -2.236 -0.727 1.00 0.00 H new ATOM 0 HA HIS A 89 21.241 -3.644 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 89 18.780 -3.865 -2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.407 -2.789 -3.352 1.00 0.00 H new ATOM 0 HD1 HIS A 89 22.364 -4.000 -3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.808 -6.224 -3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.941 -6.443 -4.149 1.00 0.00 H new ATOM 1485 N LYS A 90 21.163 -0.550 -2.169 1.00 0.00 N ATOM 1486 CA LYS A 90 22.008 0.501 -2.719 1.00 0.00 C ATOM 1487 C LYS A 90 23.042 1.029 -1.713 1.00 0.00 C ATOM 1488 O LYS A 90 23.465 2.180 -1.841 1.00 0.00 O ATOM 1489 CB LYS A 90 21.151 1.618 -3.336 1.00 0.00 C ATOM 1490 CG LYS A 90 20.346 2.463 -2.337 1.00 0.00 C ATOM 1491 CD LYS A 90 20.158 3.912 -2.815 1.00 0.00 C ATOM 1492 CE LYS A 90 21.448 4.749 -2.938 1.00 0.00 C ATOM 1493 NZ LYS A 90 22.310 4.702 -1.737 1.00 0.00 N ATOM 0 H LYS A 90 20.273 -0.222 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 90 22.598 0.058 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.804 2.282 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 90 20.457 1.169 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.369 2.005 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.855 2.464 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 90 19.665 3.893 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.483 4.418 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 90 22.019 4.395 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.179 5.786 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 22.968 5.508 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 21.719 4.752 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.851 3.814 -1.732 1.00 0.00 H new ATOM 1507 N LEU A 91 23.446 0.242 -0.714 1.00 0.00 N ATOM 1508 CA LEU A 91 24.568 0.535 0.163 1.00 0.00 C ATOM 1509 C LEU A 91 25.089 -0.742 0.804 1.00 0.00 C ATOM 1510 O LEU A 91 26.242 -1.112 0.623 1.00 0.00 O ATOM 1511 CB LEU A 91 24.354 1.685 1.173 1.00 0.00 C ATOM 1512 CG LEU A 91 23.061 1.861 1.994 1.00 0.00 C ATOM 1513 CD1 LEU A 91 21.851 2.093 1.117 1.00 0.00 C ATOM 1514 CD2 LEU A 91 22.737 0.773 3.027 1.00 0.00 C ATOM 0 H LEU A 91 22.985 -0.640 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 91 25.346 0.942 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 91 25.169 1.618 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 91 24.495 2.612 0.618 1.00 0.00 H new ATOM 0 HG LEU A 91 23.291 2.752 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 91 20.966 2.211 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 91 21.999 2.995 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 91 21.715 1.240 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 91 21.803 1.018 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.635 -0.188 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.542 0.715 3.759 1.00 0.00 H new ATOM 1526 N ALA A 92 24.236 -1.407 1.576 1.00 0.00 N ATOM 1527 CA ALA A 92 24.567 -2.539 2.425 1.00 0.00 C ATOM 1528 C ALA A 92 25.842 -2.352 3.268 1.00 0.00 C ATOM 1529 O ALA A 92 26.398 -3.346 3.737 1.00 0.00 O ATOM 1530 CB ALA A 92 24.602 -3.813 1.573 1.00 0.00 C ATOM 0 H ALA A 92 23.248 -1.157 1.627 1.00 0.00 H new ATOM 0 HA ALA A 92 23.780 -2.627 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 92 24.850 -4.666 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 23.625 -3.972 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 92 25.356 -3.708 0.792 1.00 0.00 H new ATOM 1536 N MET A 93 26.276 -1.108 3.502 1.00 0.00 N ATOM 1537 CA MET A 93 27.466 -0.760 4.283 1.00 0.00 C ATOM 1538 C MET A 93 27.278 0.561 5.054 1.00 0.00 C ATOM 1539 O MET A 93 28.237 1.112 5.582 1.00 0.00 O ATOM 1540 CB MET A 93 28.691 -0.662 3.354 1.00 0.00 C ATOM 1541 CG MET A 93 29.050 -1.975 2.643 1.00 0.00 C ATOM 1542 SD MET A 93 30.486 -1.925 1.536 1.00 0.00 S ATOM 1543 CE MET A 93 31.816 -1.505 2.683 1.00 0.00 C ATOM 0 H MET A 93 25.790 -0.288 3.139 1.00 0.00 H new ATOM 0 HA MET A 93 27.626 -1.549 5.017 1.00 0.00 H new ATOM 0 HB2 MET A 93 28.502 0.105 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 93 29.550 -0.332 3.938 1.00 0.00 H new ATOM 0 HG2 MET A 93 29.230 -2.737 3.402 1.00 0.00 H new ATOM 0 HG3 MET A 93 28.184 -2.299 2.065 1.00 0.00 H new ATOM 0 HE1 MET A 93 32.777 -1.614 2.181 1.00 0.00 H new ATOM 0 HE2 MET A 93 31.696 -0.475 3.018 1.00 0.00 H new ATOM 0 HE3 MET A 93 31.779 -2.173 3.544 1.00 0.00 H new ATOM 1553 N ASP A 94 26.037 1.039 5.147 1.00 0.00 N ATOM 1554 CA ASP A 94 25.666 2.290 5.810 1.00 0.00 C ATOM 1555 C ASP A 94 24.910 1.921 7.074 1.00 0.00 C ATOM 1556 O ASP A 94 25.294 2.259 8.190 1.00 0.00 O ATOM 1557 CB ASP A 94 24.693 3.095 4.933 1.00 0.00 C ATOM 1558 CG ASP A 94 25.327 4.121 4.025 1.00 0.00 C ATOM 1559 OD1 ASP A 94 26.056 3.721 3.098 1.00 0.00 O ATOM 1560 OD2 ASP A 94 24.939 5.306 4.157 1.00 0.00 O ATOM 0 H ASP A 94 25.235 0.550 4.750 1.00 0.00 H new ATOM 0 HA ASP A 94 26.563 2.877 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 94 24.123 2.397 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 94 23.981 3.603 5.584 1.00 0.00 H new ATOM 1565 N THR A 95 23.765 1.274 6.864 1.00 0.00 N ATOM 1566 CA THR A 95 22.756 1.006 7.866 1.00 0.00 C ATOM 1567 C THR A 95 22.103 -0.338 7.552 1.00 0.00 C ATOM 1568 O THR A 95 21.962 -0.708 6.385 1.00 0.00 O ATOM 1569 CB THR A 95 21.690 2.117 7.821 1.00 0.00 C ATOM 1570 OG1 THR A 95 21.407 2.484 6.481 1.00 0.00 O ATOM 1571 CG2 THR A 95 22.124 3.379 8.562 1.00 0.00 C ATOM 0 H THR A 95 23.512 0.909 5.946 1.00 0.00 H new ATOM 0 HA THR A 95 23.208 0.978 8.858 1.00 0.00 H new ATOM 0 HB THR A 95 20.808 1.703 8.310 1.00 0.00 H new ATOM 0 HG1 THR A 95 20.727 3.189 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.335 4.128 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 95 22.313 3.140 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.035 3.772 8.110 1.00 0.00 H new ATOM 1579 N TYR A 96 21.678 -1.042 8.599 1.00 0.00 N ATOM 1580 CA TYR A 96 20.670 -2.088 8.517 1.00 0.00 C ATOM 1581 C TYR A 96 19.390 -1.472 9.100 1.00 0.00 C ATOM 1582 O TYR A 96 19.351 -0.261 9.331 1.00 0.00 O ATOM 1583 CB TYR A 96 21.165 -3.325 9.286 1.00 0.00 C ATOM 1584 CG TYR A 96 20.288 -4.558 9.168 1.00 0.00 C ATOM 1585 CD1 TYR A 96 20.058 -5.134 7.905 1.00 0.00 C ATOM 1586 CD2 TYR A 96 19.603 -5.052 10.295 1.00 0.00 C ATOM 1587 CE1 TYR A 96 19.111 -6.162 7.762 1.00 0.00 C ATOM 1588 CE2 TYR A 96 18.648 -6.074 10.148 1.00 0.00 C ATOM 1589 CZ TYR A 96 18.407 -6.633 8.881 1.00 0.00 C ATOM 1590 OH TYR A 96 17.474 -7.613 8.718 1.00 0.00 O ATOM 0 H TYR A 96 22.033 -0.896 9.544 1.00 0.00 H new ATOM 0 HA TYR A 96 20.474 -2.431 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 96 22.165 -3.576 8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 96 21.256 -3.064 10.340 1.00 0.00 H new ATOM 0 HD1 TYR A 96 20.610 -4.786 7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 96 19.811 -4.645 11.274 1.00 0.00 H new ATOM 0 HE1 TYR A 96 18.924 -6.591 6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.100 -6.429 11.008 1.00 0.00 H new ATOM 0 HH TYR A 96 17.074 -7.832 9.586 1.00 0.00 H new ATOM 1600 N LYS A 97 18.356 -2.279 9.344 1.00 0.00 N ATOM 1601 CA LYS A 97 17.114 -1.931 10.021 1.00 0.00 C ATOM 1602 C LYS A 97 16.200 -1.133 9.090 1.00 0.00 C ATOM 1603 O LYS A 97 15.095 -1.575 8.796 1.00 0.00 O ATOM 1604 CB LYS A 97 17.399 -1.244 11.369 1.00 0.00 C ATOM 1605 CG LYS A 97 16.121 -0.944 12.147 1.00 0.00 C ATOM 1606 CD LYS A 97 16.414 -0.258 13.484 1.00 0.00 C ATOM 1607 CE LYS A 97 17.060 -1.153 14.542 1.00 0.00 C ATOM 1608 NZ LYS A 97 16.199 -2.289 14.917 1.00 0.00 N ATOM 0 H LYS A 97 18.369 -3.257 9.053 1.00 0.00 H new ATOM 0 HA LYS A 97 16.565 -2.840 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.046 -1.883 11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.942 -0.315 11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.472 -0.307 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.579 -1.872 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.069 0.594 13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.480 0.137 13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.010 -1.530 14.164 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.282 -0.560 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.598 -2.767 15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.245 -1.942 15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.145 -2.960 14.125 1.00 0.00 H new ATOM 1622 N LEU A 98 16.680 0.030 8.657 1.00 0.00 N ATOM 1623 CA LEU A 98 16.094 0.930 7.671 1.00 0.00 C ATOM 1624 C LEU A 98 14.567 0.937 7.704 1.00 0.00 C ATOM 1625 O LEU A 98 13.897 0.673 6.704 1.00 0.00 O ATOM 1626 CB LEU A 98 16.705 0.735 6.272 1.00 0.00 C ATOM 1627 CG LEU A 98 16.431 -0.605 5.559 1.00 0.00 C ATOM 1628 CD1 LEU A 98 16.484 -0.359 4.057 1.00 0.00 C ATOM 1629 CD2 LEU A 98 17.456 -1.690 5.912 1.00 0.00 C ATOM 0 H LEU A 98 17.561 0.396 9.017 1.00 0.00 H new ATOM 0 HA LEU A 98 16.369 1.944 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 98 16.342 1.538 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 98 17.785 0.857 6.356 1.00 0.00 H new ATOM 0 HG LEU A 98 15.454 -0.963 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.293 -1.293 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 98 15.727 0.375 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.470 0.017 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.211 -2.609 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.453 -1.358 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 98 17.434 -1.875 6.986 1.00 0.00 H new ATOM 1641 N ASN A 99 14.012 1.238 8.869 1.00 0.00 N ATOM 1642 CA ASN A 99 12.580 1.372 9.086 1.00 0.00 C ATOM 1643 C ASN A 99 12.383 2.333 10.245 1.00 0.00 C ATOM 1644 O ASN A 99 11.216 2.599 10.593 1.00 0.00 O ATOM 1645 CB ASN A 99 11.916 0.014 9.364 1.00 0.00 C ATOM 1646 CG ASN A 99 12.168 -0.514 10.771 1.00 0.00 C ATOM 1647 OD1 ASN A 99 11.387 -0.290 11.689 1.00 0.00 O ATOM 1648 ND2 ASN A 99 13.233 -1.281 10.956 1.00 0.00 N ATOM 1649 OXT ASN A 99 13.356 2.503 11.010 1.00 0.00 O ATOM 0 H ASN A 99 14.562 1.400 9.713 1.00 0.00 H new ATOM 0 HA ASN A 99 12.102 1.760 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.841 0.106 9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.283 -0.715 8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.411 -1.694 11.872 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.874 -1.459 10.183 1.00 0.00 H new TER 1656 ASN A 99