USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 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 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 16:sc= -4.32! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -2.68 K(o=-2.7,f=-14!) USER MOD Single : A 7 THR OG1 : rot 106:sc= 0.0768 USER MOD Single : A 10 GLN : amide:sc= -3.08 K(o=-3.1,f=-5.3!) USER MOD Single : A 13 GLN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0982 USER MOD Single : A 24 THR OG1 : rot -69:sc= 0.681 USER MOD Single : A 29 SER OG : rot -126:sc= 0.765 USER MOD Single : A 31 SER OG : rot -37:sc= 0.447! USER MOD Single : A 32 HIS : no HE2:sc= -13.8! C(o=-14!,f=-17!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00749 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 65 THR OG1 : rot 60:sc= -5.68! USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.0797 (180deg=-0.0392) USER MOD Single : A 70 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.0031) USER MOD Single : A 73 GLN : amide:sc= -0.444 K(o=-0.44,f=-2.2!) USER MOD Single : A 75 ASN : amide:sc= -0.0831 K(o=-0.083,f=-1.9!) USER MOD Single : A 76 MET CE :methyl -114:sc= -0.679 (180deg=-4.12!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 54:sc= -1.39 USER MOD Single : A 92 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.15) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.397 11.562 13.937 1.00 0.00 N ATOM 2 CA MET A 1 -15.527 11.293 13.064 1.00 0.00 C ATOM 3 C MET A 1 -15.291 10.028 12.236 1.00 0.00 C ATOM 4 O MET A 1 -16.045 9.062 12.342 1.00 0.00 O ATOM 5 CB MET A 1 -15.745 12.483 12.128 1.00 0.00 C ATOM 6 CG MET A 1 -16.630 13.543 12.786 1.00 0.00 C ATOM 7 SD MET A 1 -16.848 14.928 11.681 1.00 0.00 S ATOM 8 CE MET A 1 -17.646 16.082 12.785 1.00 0.00 C ATOM 0 H1 MET A 1 -14.581 12.425 14.488 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.260 10.760 14.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.539 11.694 13.364 1.00 0.00 H new ATOM 0 HA MET A 1 -16.411 11.140 13.683 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.783 12.921 11.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.208 12.142 11.202 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.599 13.113 13.039 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.177 13.879 13.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.855 17.010 12.252 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.580 15.653 13.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.990 16.289 13.631 1.00 0.00 H new ATOM 18 N GLN A 2 -14.240 10.075 11.430 1.00 0.00 N ATOM 19 CA GLN A 2 -13.895 8.945 10.584 1.00 0.00 C ATOM 20 C GLN A 2 -12.512 9.149 9.963 1.00 0.00 C ATOM 21 O GLN A 2 -12.317 10.058 9.158 1.00 0.00 O ATOM 22 CB GLN A 2 -14.955 8.726 9.502 1.00 0.00 C ATOM 23 CG GLN A 2 -15.196 7.234 9.265 1.00 0.00 C ATOM 24 CD GLN A 2 -16.025 7.007 7.999 1.00 0.00 C ATOM 25 OE1 GLN A 2 -17.242 6.926 8.029 1.00 0.00 O ATOM 26 NE2 GLN A 2 -15.300 6.911 6.887 1.00 0.00 N ATOM 0 H GLN A 2 -13.616 10.878 11.345 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.865 8.049 11.204 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.887 9.206 9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.635 9.198 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.240 6.717 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.712 6.804 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.284 6.988 6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.760 6.761 5.989 1.00 0.00 H new ATOM 35 N PRO A 3 -11.562 8.266 10.372 1.00 0.00 N ATOM 36 CA PRO A 3 -10.203 8.341 9.864 1.00 0.00 C ATOM 37 C PRO A 3 -10.123 7.816 8.430 1.00 0.00 C ATOM 38 O PRO A 3 -11.109 7.312 7.894 1.00 0.00 O ATOM 39 CB PRO A 3 -9.373 7.525 10.842 1.00 0.00 C ATOM 40 CG PRO A 3 -10.358 6.645 11.593 1.00 0.00 C ATOM 41 CD PRO A 3 -11.757 7.176 11.324 1.00 0.00 C ATOM 0 HA PRO A 3 -9.833 9.364 9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.632 6.922 10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.828 8.174 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.273 5.609 11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.144 6.658 12.662 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.403 6.401 10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.229 7.530 12.240 1.00 0.00 H new ATOM 49 N ASN A 4 -8.940 7.951 7.849 1.00 0.00 N ATOM 50 CA ASN A 4 -8.719 7.496 6.486 1.00 0.00 C ATOM 51 C ASN A 4 -8.995 5.994 6.404 1.00 0.00 C ATOM 52 O ASN A 4 -9.215 5.342 7.423 1.00 0.00 O ATOM 53 CB ASN A 4 -7.271 7.735 6.054 1.00 0.00 C ATOM 54 CG ASN A 4 -7.130 7.643 4.533 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.999 6.574 3.960 1.00 0.00 O ATOM 56 ND2 ASN A 4 -7.166 8.819 3.914 1.00 0.00 N ATOM 0 H ASN A 4 -8.124 8.369 8.297 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.388 8.055 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.944 8.717 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.620 7.000 6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.082 8.864 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.278 9.677 4.455 1.00 0.00 H new ATOM 63 N ASP A 5 -8.975 5.487 5.179 1.00 0.00 N ATOM 64 CA ASP A 5 -9.221 4.074 4.950 1.00 0.00 C ATOM 65 C ASP A 5 -7.887 3.325 4.936 1.00 0.00 C ATOM 66 O ASP A 5 -7.783 2.224 5.474 1.00 0.00 O ATOM 67 CB ASP A 5 -9.906 3.845 3.601 1.00 0.00 C ATOM 68 CG ASP A 5 -11.054 4.807 3.288 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.574 4.836 2.163 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.418 5.560 4.270 1.00 0.00 O ATOM 0 H ASP A 5 -8.792 6.030 4.335 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.868 3.711 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.158 3.926 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.289 2.825 3.573 1.00 0.00 H new ATOM 76 N ILE A 6 -6.899 3.952 4.313 1.00 0.00 N ATOM 77 CA ILE A 6 -5.576 3.358 4.221 1.00 0.00 C ATOM 78 C ILE A 6 -4.566 4.435 3.821 1.00 0.00 C ATOM 79 O ILE A 6 -4.910 5.384 3.118 1.00 0.00 O ATOM 80 CB ILE A 6 -5.595 2.151 3.281 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.175 1.659 2.993 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.363 2.468 1.997 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.198 0.369 2.170 1.00 0.00 C ATOM 0 H ILE A 6 -6.989 4.865 3.867 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.263 2.971 5.191 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.123 1.338 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.622 2.428 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.649 1.486 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.361 1.593 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.391 2.734 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.885 3.303 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.176 0.041 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.731 -0.405 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.703 0.551 1.222 1.00 0.00 H new ATOM 95 N THR A 7 -3.338 4.251 4.285 1.00 0.00 N ATOM 96 CA THR A 7 -2.275 5.195 3.984 1.00 0.00 C ATOM 97 C THR A 7 -1.201 4.530 3.121 1.00 0.00 C ATOM 98 O THR A 7 -1.116 3.305 3.063 1.00 0.00 O ATOM 99 CB THR A 7 -1.739 5.741 5.308 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.845 4.640 6.206 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.653 6.807 5.916 1.00 0.00 C ATOM 0 H THR A 7 -3.056 3.462 4.867 1.00 0.00 H new ATOM 0 HA THR A 7 -2.646 6.035 3.396 1.00 0.00 H new ATOM 0 HB THR A 7 -0.746 6.162 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.953 4.272 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.226 7.161 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.748 7.643 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.637 6.378 6.104 1.00 0.00 H new ATOM 109 N PHE A 8 -0.407 5.369 2.471 1.00 0.00 N ATOM 110 CA PHE A 8 0.658 4.878 1.613 1.00 0.00 C ATOM 111 C PHE A 8 1.813 5.880 1.546 1.00 0.00 C ATOM 112 O PHE A 8 1.596 7.067 1.311 1.00 0.00 O ATOM 113 CB PHE A 8 0.064 4.709 0.214 1.00 0.00 C ATOM 114 CG PHE A 8 -1.321 4.058 0.200 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.398 4.741 0.675 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.476 2.798 -0.286 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.683 4.137 0.662 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.761 2.194 -0.299 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.838 2.877 0.176 1.00 0.00 C ATOM 0 H PHE A 8 -0.480 6.385 2.521 1.00 0.00 H new ATOM 0 HA PHE A 8 1.048 3.939 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.001 5.687 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.744 4.106 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.275 5.742 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.621 2.256 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.538 4.679 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.884 1.193 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.816 2.418 0.167 1.00 0.00 H new ATOM 129 N PHE A 9 3.015 5.363 1.756 1.00 0.00 N ATOM 130 CA PHE A 9 4.204 6.197 1.722 1.00 0.00 C ATOM 131 C PHE A 9 4.243 7.045 0.449 1.00 0.00 C ATOM 132 O PHE A 9 3.354 6.946 -0.395 1.00 0.00 O ATOM 133 CB PHE A 9 5.411 5.256 1.732 1.00 0.00 C ATOM 134 CG PHE A 9 5.205 3.973 0.925 1.00 0.00 C ATOM 135 CD1 PHE A 9 5.483 3.955 -0.407 1.00 0.00 C ATOM 136 CD2 PHE A 9 4.745 2.850 1.538 1.00 0.00 C ATOM 137 CE1 PHE A 9 5.293 2.764 -1.156 1.00 0.00 C ATOM 138 CE2 PHE A 9 4.554 1.659 0.789 1.00 0.00 C ATOM 139 CZ PHE A 9 4.833 1.641 -0.542 1.00 0.00 C ATOM 0 H PHE A 9 3.191 4.377 1.950 1.00 0.00 H new ATOM 0 HA PHE A 9 4.209 6.873 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.276 5.787 1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.644 4.991 2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.848 4.847 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.525 2.864 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.514 2.750 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.187 0.768 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.689 0.735 -1.112 1.00 0.00 H new ATOM 149 N GLN A 10 5.284 7.859 0.351 1.00 0.00 N ATOM 150 CA GLN A 10 5.451 8.724 -0.805 1.00 0.00 C ATOM 151 C GLN A 10 5.659 7.886 -2.069 1.00 0.00 C ATOM 152 O GLN A 10 5.063 8.165 -3.108 1.00 0.00 O ATOM 153 CB GLN A 10 6.610 9.700 -0.597 1.00 0.00 C ATOM 154 CG GLN A 10 7.912 8.951 -0.308 1.00 0.00 C ATOM 155 CD GLN A 10 8.743 8.784 -1.582 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.287 9.024 -2.688 1.00 0.00 O ATOM 157 NE2 GLN A 10 9.985 8.360 -1.366 1.00 0.00 N ATOM 0 H GLN A 10 6.020 7.938 1.053 1.00 0.00 H new ATOM 0 HA GLN A 10 4.542 9.313 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.732 10.320 -1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.381 10.371 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.490 9.495 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.686 7.972 0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.303 8.178 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.619 8.217 -2.152 1.00 0.00 H new ATOM 166 N ARG A 11 6.507 6.877 -1.938 1.00 0.00 N ATOM 167 CA ARG A 11 6.802 5.997 -3.056 1.00 0.00 C ATOM 168 C ARG A 11 5.505 5.485 -3.685 1.00 0.00 C ATOM 169 O ARG A 11 5.460 5.201 -4.881 1.00 0.00 O ATOM 170 CB ARG A 11 7.650 4.804 -2.610 1.00 0.00 C ATOM 171 CG ARG A 11 8.708 5.234 -1.592 1.00 0.00 C ATOM 172 CD ARG A 11 9.919 4.300 -1.633 1.00 0.00 C ATOM 173 NE ARG A 11 10.987 4.893 -2.468 1.00 0.00 N ATOM 174 CZ ARG A 11 11.189 4.587 -3.768 1.00 0.00 C ATOM 175 NH1 ARG A 11 10.396 3.691 -4.392 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.175 5.178 -4.418 1.00 0.00 N ATOM 0 H ARG A 11 7.000 6.649 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 11 7.364 6.573 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.008 4.040 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.135 4.354 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.025 6.256 -1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.277 5.232 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.290 4.127 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.627 3.330 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 11 11.609 5.575 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.637 3.239 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.555 3.466 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.770 5.854 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.342 4.959 -5.400 1.00 0.00 H new ATOM 189 N PHE A 12 4.480 5.384 -2.851 1.00 0.00 N ATOM 190 CA PHE A 12 3.185 4.912 -3.310 1.00 0.00 C ATOM 191 C PHE A 12 2.426 6.019 -4.044 1.00 0.00 C ATOM 192 O PHE A 12 1.707 5.752 -5.005 1.00 0.00 O ATOM 193 CB PHE A 12 2.392 4.503 -2.068 1.00 0.00 C ATOM 194 CG PHE A 12 2.243 2.990 -1.894 1.00 0.00 C ATOM 195 CD1 PHE A 12 2.048 2.196 -2.981 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.307 2.438 -0.652 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.910 0.792 -2.820 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.169 1.034 -0.491 1.00 0.00 C ATOM 199 CZ PHE A 12 1.973 0.241 -1.579 1.00 0.00 C ATOM 0 H PHE A 12 4.521 5.621 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 12 3.316 4.079 -4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.882 4.913 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.400 4.952 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.998 2.634 -3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.463 3.068 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.755 0.162 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.220 0.596 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.867 -0.827 -1.457 1.00 0.00 H new ATOM 209 N GLN A 13 2.612 7.239 -3.562 1.00 0.00 N ATOM 210 CA GLN A 13 1.954 8.388 -4.160 1.00 0.00 C ATOM 211 C GLN A 13 2.417 8.572 -5.606 1.00 0.00 C ATOM 212 O GLN A 13 1.606 8.835 -6.493 1.00 0.00 O ATOM 213 CB GLN A 13 2.206 9.654 -3.338 1.00 0.00 C ATOM 214 CG GLN A 13 0.938 10.095 -2.605 1.00 0.00 C ATOM 215 CD GLN A 13 0.379 11.387 -3.204 1.00 0.00 C ATOM 216 OE1 GLN A 13 -0.687 11.417 -3.796 1.00 0.00 O ATOM 217 NE2 GLN A 13 1.157 12.450 -3.018 1.00 0.00 N ATOM 0 H GLN A 13 3.209 7.457 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 13 0.879 8.205 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.002 9.470 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.548 10.455 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.187 9.308 -2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.158 10.246 -1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.038 12.355 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.872 13.360 -3.381 1.00 0.00 H new ATOM 226 N ASP A 14 3.719 8.426 -5.800 1.00 0.00 N ATOM 227 CA ASP A 14 4.300 8.573 -7.124 1.00 0.00 C ATOM 228 C ASP A 14 3.896 7.377 -7.989 1.00 0.00 C ATOM 229 O ASP A 14 3.348 7.550 -9.076 1.00 0.00 O ATOM 230 CB ASP A 14 5.828 8.610 -7.054 1.00 0.00 C ATOM 231 CG ASP A 14 6.545 8.186 -8.337 1.00 0.00 C ATOM 232 OD1 ASP A 14 7.097 7.079 -8.424 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.522 9.057 -9.289 1.00 0.00 O ATOM 0 H ASP A 14 4.389 8.207 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 14 3.935 9.508 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.140 9.623 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.155 7.961 -6.242 1.00 0.00 H new ATOM 239 N ASP A 15 4.182 6.191 -7.473 1.00 0.00 N ATOM 240 CA ASP A 15 3.855 4.967 -8.185 1.00 0.00 C ATOM 241 C ASP A 15 2.385 5.004 -8.605 1.00 0.00 C ATOM 242 O ASP A 15 2.065 4.793 -9.774 1.00 0.00 O ATOM 243 CB ASP A 15 4.061 3.740 -7.294 1.00 0.00 C ATOM 244 CG ASP A 15 5.192 2.806 -7.730 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.976 1.608 -7.965 1.00 0.00 O ATOM 246 OD2 ASP A 15 6.352 3.363 -7.828 1.00 0.00 O ATOM 0 H ASP A 15 4.636 6.051 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 15 4.510 4.897 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.261 4.078 -6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.132 3.171 -7.264 1.00 0.00 H new ATOM 252 N ILE A 16 1.530 5.272 -7.630 1.00 0.00 N ATOM 253 CA ILE A 16 0.101 5.340 -7.885 1.00 0.00 C ATOM 254 C ILE A 16 -0.166 6.342 -9.009 1.00 0.00 C ATOM 255 O ILE A 16 -0.942 6.064 -9.922 1.00 0.00 O ATOM 256 CB ILE A 16 -0.660 5.648 -6.593 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.618 4.456 -5.635 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.092 6.093 -6.894 1.00 0.00 C ATOM 259 CD1 ILE A 16 -1.119 4.853 -4.245 1.00 0.00 C ATOM 0 H ILE A 16 1.799 5.445 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.271 4.373 -8.225 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.163 6.480 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.232 3.646 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.402 4.078 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.611 6.306 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.072 6.992 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.615 5.299 -7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.079 3.988 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.488 5.646 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.147 5.208 -4.316 1.00 0.00 H new ATOM 271 N LEU A 17 0.494 7.487 -8.907 1.00 0.00 N ATOM 272 CA LEU A 17 0.338 8.532 -9.905 1.00 0.00 C ATOM 273 C LEU A 17 0.716 7.979 -11.280 1.00 0.00 C ATOM 274 O LEU A 17 0.241 8.469 -12.303 1.00 0.00 O ATOM 275 CB LEU A 17 1.130 9.778 -9.503 1.00 0.00 C ATOM 276 CG LEU A 17 2.259 10.188 -10.451 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.718 11.000 -11.630 1.00 0.00 C ATOM 278 CD2 LEU A 17 3.361 10.936 -9.698 1.00 0.00 C ATOM 0 H LEU A 17 1.138 7.714 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.703 8.850 -9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.435 10.613 -9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.556 9.611 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 17 2.706 9.283 -10.862 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.541 11.279 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.997 10.400 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.230 11.901 -11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.152 11.216 -10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.945 11.834 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.773 10.291 -8.922 1.00 0.00 H new ATOM 290 N ALA A 18 1.568 6.964 -11.260 1.00 0.00 N ATOM 291 CA ALA A 18 2.016 6.340 -12.493 1.00 0.00 C ATOM 292 C ALA A 18 1.046 5.220 -12.874 1.00 0.00 C ATOM 293 O ALA A 18 1.362 4.378 -13.714 1.00 0.00 O ATOM 294 CB ALA A 18 3.450 5.834 -12.318 1.00 0.00 C ATOM 0 H ALA A 18 1.959 6.559 -10.410 1.00 0.00 H new ATOM 0 HA ALA A 18 2.022 7.063 -13.309 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.786 5.366 -13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.104 6.672 -12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.482 5.104 -11.509 1.00 0.00 H new ATOM 300 N GLY A 19 -0.116 5.246 -12.238 1.00 0.00 N ATOM 301 CA GLY A 19 -1.135 4.243 -12.500 1.00 0.00 C ATOM 302 C GLY A 19 -0.641 2.847 -12.119 1.00 0.00 C ATOM 303 O GLY A 19 -0.202 2.626 -10.991 1.00 0.00 O ATOM 0 H GLY A 19 -0.375 5.945 -11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.037 4.480 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.405 4.261 -13.556 1.00 0.00 H new ATOM 307 N ARG A 20 -0.729 1.939 -13.080 1.00 0.00 N ATOM 308 CA ARG A 20 -0.296 0.570 -12.860 1.00 0.00 C ATOM 309 C ARG A 20 -0.791 0.069 -11.501 1.00 0.00 C ATOM 310 O ARG A 20 -0.142 0.290 -10.480 1.00 0.00 O ATOM 311 CB ARG A 20 1.229 0.460 -12.911 1.00 0.00 C ATOM 312 CG ARG A 20 1.670 -0.552 -13.971 1.00 0.00 C ATOM 313 CD ARG A 20 2.410 0.142 -15.117 1.00 0.00 C ATOM 314 NE ARG A 20 2.616 -0.807 -16.234 1.00 0.00 N ATOM 315 CZ ARG A 20 2.919 -0.436 -17.496 1.00 0.00 C ATOM 316 NH1 ARG A 20 3.053 0.870 -17.813 1.00 0.00 N ATOM 317 NH2 ARG A 20 3.081 -1.368 -18.416 1.00 0.00 N ATOM 0 H ARG A 20 -1.094 2.125 -14.014 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.720 -0.044 -13.655 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.660 1.436 -13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.608 0.158 -11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.318 -1.302 -13.516 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.799 -1.078 -14.362 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.838 1.003 -15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.371 0.517 -14.766 1.00 0.00 H new ATOM 0 HE ARG A 20 2.523 -1.804 -16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.925 1.584 -17.096 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.282 1.142 -18.769 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.977 -2.352 -18.169 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.310 -1.104 -19.374 1.00 0.00 H new ATOM 330 N LYS A 21 -1.937 -0.595 -11.533 1.00 0.00 N ATOM 331 CA LYS A 21 -2.526 -1.129 -10.317 1.00 0.00 C ATOM 332 C LYS A 21 -1.417 -1.665 -9.410 1.00 0.00 C ATOM 333 O LYS A 21 -0.402 -2.164 -9.894 1.00 0.00 O ATOM 334 CB LYS A 21 -3.601 -2.166 -10.653 1.00 0.00 C ATOM 335 CG LYS A 21 -2.969 -3.474 -11.134 1.00 0.00 C ATOM 336 CD LYS A 21 -3.108 -3.625 -12.650 1.00 0.00 C ATOM 337 CE LYS A 21 -2.193 -4.731 -13.177 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.639 -5.180 -14.515 1.00 0.00 N ATOM 0 H LYS A 21 -2.473 -0.775 -12.382 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.037 -0.341 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.215 -2.357 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.263 -1.772 -11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.915 -3.496 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.446 -4.318 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.143 -3.853 -12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.862 -2.682 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.167 -4.367 -13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.195 -5.573 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.007 -5.931 -14.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.610 -5.547 -14.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.614 -4.378 -15.176 1.00 0.00 H new ATOM 351 N THR A 22 -1.648 -1.544 -8.111 1.00 0.00 N ATOM 352 CA THR A 22 -0.681 -2.010 -7.133 1.00 0.00 C ATOM 353 C THR A 22 -1.392 -2.703 -5.969 1.00 0.00 C ATOM 354 O THR A 22 -2.502 -2.323 -5.600 1.00 0.00 O ATOM 355 CB THR A 22 0.168 -0.814 -6.700 1.00 0.00 C ATOM 356 OG1 THR A 22 0.858 -0.431 -7.886 1.00 0.00 O ATOM 357 CG2 THR A 22 1.284 -1.207 -5.730 1.00 0.00 C ATOM 0 H THR A 22 -2.491 -1.130 -7.713 1.00 0.00 H new ATOM 0 HA THR A 22 -0.016 -2.761 -7.561 1.00 0.00 H new ATOM 0 HB THR A 22 -0.472 -0.066 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.432 0.341 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.856 -0.321 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.848 -1.650 -4.835 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.944 -1.930 -6.209 1.00 0.00 H new ATOM 365 N ILE A 23 -0.723 -3.708 -5.422 1.00 0.00 N ATOM 366 CA ILE A 23 -1.277 -4.458 -4.308 1.00 0.00 C ATOM 367 C ILE A 23 -0.740 -3.883 -2.995 1.00 0.00 C ATOM 368 O ILE A 23 0.261 -3.169 -2.990 1.00 0.00 O ATOM 369 CB ILE A 23 -1.006 -5.954 -4.480 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.620 -6.278 -5.925 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.199 -6.785 -4.006 1.00 0.00 C ATOM 372 CD1 ILE A 23 -0.810 -7.766 -6.223 1.00 0.00 C ATOM 0 H ILE A 23 0.198 -4.020 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.362 -4.356 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.157 -6.222 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.228 -5.686 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.419 -5.998 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.980 -7.844 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.387 -6.583 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.081 -6.521 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.529 -7.969 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.182 -8.354 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.855 -8.037 -6.072 1.00 0.00 H new ATOM 384 N THR A 24 -1.430 -4.217 -1.914 1.00 0.00 N ATOM 385 CA THR A 24 -1.035 -3.743 -0.599 1.00 0.00 C ATOM 386 C THR A 24 -1.324 -4.808 0.461 1.00 0.00 C ATOM 387 O THR A 24 -1.969 -5.815 0.174 1.00 0.00 O ATOM 388 CB THR A 24 -1.753 -2.417 -0.338 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.134 -2.738 -0.473 1.00 0.00 O ATOM 390 CG2 THR A 24 -1.500 -1.388 -1.442 1.00 0.00 C ATOM 0 H THR A 24 -2.260 -4.810 -1.922 1.00 0.00 H new ATOM 0 HA THR A 24 0.039 -3.563 -0.550 1.00 0.00 H new ATOM 0 HB THR A 24 -1.428 -2.010 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.331 -2.946 -1.410 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.032 -0.466 -1.208 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.432 -1.183 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.856 -1.781 -2.394 1.00 0.00 H new ATOM 398 N ILE A 25 -0.832 -4.549 1.664 1.00 0.00 N ATOM 399 CA ILE A 25 -1.029 -5.473 2.767 1.00 0.00 C ATOM 400 C ILE A 25 -1.679 -4.732 3.938 1.00 0.00 C ATOM 401 O ILE A 25 -1.343 -3.581 4.211 1.00 0.00 O ATOM 402 CB ILE A 25 0.288 -6.162 3.131 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.969 -6.735 1.887 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.070 -7.228 4.207 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.949 -5.726 1.284 1.00 0.00 C ATOM 0 H ILE A 25 -0.298 -3.712 1.898 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.711 -6.272 2.477 1.00 0.00 H new ATOM 0 HB ILE A 25 0.960 -5.414 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.499 -7.651 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.215 -7.003 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.022 -7.702 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.340 -6.762 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.627 -7.980 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.419 -6.159 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.412 -4.821 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.715 -5.479 2.019 1.00 0.00 H new ATOM 417 N ARG A 26 -2.598 -5.423 4.597 1.00 0.00 N ATOM 418 CA ARG A 26 -3.298 -4.844 5.731 1.00 0.00 C ATOM 419 C ARG A 26 -3.393 -5.861 6.871 1.00 0.00 C ATOM 420 O ARG A 26 -3.038 -7.026 6.699 1.00 0.00 O ATOM 421 CB ARG A 26 -4.707 -4.396 5.338 1.00 0.00 C ATOM 422 CG ARG A 26 -4.911 -4.490 3.825 1.00 0.00 C ATOM 423 CD ARG A 26 -4.136 -3.389 3.098 1.00 0.00 C ATOM 424 NE ARG A 26 -3.551 -2.449 4.080 1.00 0.00 N ATOM 425 CZ ARG A 26 -4.213 -1.398 4.609 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.491 -1.145 4.254 1.00 0.00 N ATOM 427 NH2 ARG A 26 -3.593 -0.623 5.479 1.00 0.00 N ATOM 0 H ARG A 26 -2.874 -6.378 4.367 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.731 -3.974 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.445 -5.016 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.871 -3.370 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.582 -5.467 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.973 -4.407 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.347 -3.830 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.800 -2.853 2.420 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.587 -2.605 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.963 -1.750 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.985 -0.349 4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.628 -0.822 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.079 0.175 5.888 1.00 0.00 H new ATOM 440 N ASP A 27 -3.873 -5.382 8.009 1.00 0.00 N ATOM 441 CA ASP A 27 -4.018 -6.235 9.177 1.00 0.00 C ATOM 442 C ASP A 27 -5.499 -6.561 9.383 1.00 0.00 C ATOM 443 O ASP A 27 -6.341 -5.664 9.389 1.00 0.00 O ATOM 444 CB ASP A 27 -3.508 -5.534 10.438 1.00 0.00 C ATOM 445 CG ASP A 27 -3.830 -6.250 11.751 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.475 -7.309 11.759 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.384 -5.668 12.812 1.00 0.00 O ATOM 0 H ASP A 27 -4.166 -4.415 8.147 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.436 -7.141 9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.427 -5.420 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.933 -4.531 10.475 1.00 0.00 H new ATOM 453 N GLU A 28 -5.771 -7.847 9.548 1.00 0.00 N ATOM 454 CA GLU A 28 -7.135 -8.303 9.754 1.00 0.00 C ATOM 455 C GLU A 28 -7.797 -7.505 10.880 1.00 0.00 C ATOM 456 O GLU A 28 -8.974 -7.160 10.792 1.00 0.00 O ATOM 457 CB GLU A 28 -7.173 -9.803 10.050 1.00 0.00 C ATOM 458 CG GLU A 28 -8.547 -10.224 10.576 1.00 0.00 C ATOM 459 CD GLU A 28 -9.630 -10.003 9.518 1.00 0.00 C ATOM 460 OE1 GLU A 28 -10.001 -10.947 8.804 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.091 -8.800 9.452 1.00 0.00 O ATOM 0 H GLU A 28 -5.070 -8.588 9.543 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.697 -8.133 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.940 -10.362 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.407 -10.052 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.524 -11.275 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.788 -9.653 11.473 1.00 0.00 H new ATOM 469 N SER A 29 -7.011 -7.236 11.912 1.00 0.00 N ATOM 470 CA SER A 29 -7.506 -6.486 13.054 1.00 0.00 C ATOM 471 C SER A 29 -7.867 -5.061 12.627 1.00 0.00 C ATOM 472 O SER A 29 -8.641 -4.385 13.303 1.00 0.00 O ATOM 473 CB SER A 29 -6.473 -6.456 14.182 1.00 0.00 C ATOM 474 OG SER A 29 -5.511 -5.420 13.999 1.00 0.00 O ATOM 0 H SER A 29 -6.035 -7.524 11.981 1.00 0.00 H new ATOM 0 HA SER A 29 -8.400 -6.984 13.429 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.982 -6.314 15.135 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.964 -7.418 14.233 1.00 0.00 H new ATOM 0 HG SER A 29 -4.609 -5.802 14.031 1.00 0.00 H new ATOM 480 N GLU A 30 -7.290 -4.648 11.508 1.00 0.00 N ATOM 481 CA GLU A 30 -7.542 -3.317 10.983 1.00 0.00 C ATOM 482 C GLU A 30 -8.238 -3.405 9.624 1.00 0.00 C ATOM 483 O GLU A 30 -8.265 -2.432 8.872 1.00 0.00 O ATOM 484 CB GLU A 30 -6.244 -2.513 10.883 1.00 0.00 C ATOM 485 CG GLU A 30 -5.874 -1.899 12.235 1.00 0.00 C ATOM 486 CD GLU A 30 -4.567 -1.109 12.139 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.592 0.131 12.121 1.00 0.00 O ATOM 488 OE2 GLU A 30 -3.498 -1.829 12.083 1.00 0.00 O ATOM 0 H GLU A 30 -6.649 -5.212 10.950 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.203 -2.794 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.437 -3.160 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.357 -1.724 10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.676 -1.242 12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.773 -2.687 12.981 1.00 0.00 H new ATOM 496 N SER A 31 -8.786 -4.580 9.350 1.00 0.00 N ATOM 497 CA SER A 31 -9.481 -4.808 8.095 1.00 0.00 C ATOM 498 C SER A 31 -10.265 -3.557 7.697 1.00 0.00 C ATOM 499 O SER A 31 -11.256 -3.211 8.338 1.00 0.00 O ATOM 500 CB SER A 31 -10.418 -6.013 8.195 1.00 0.00 C ATOM 501 OG SER A 31 -11.779 -5.650 7.980 1.00 0.00 O ATOM 0 H SER A 31 -8.763 -5.385 9.976 1.00 0.00 H new ATOM 0 HA SER A 31 -8.738 -5.023 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.123 -6.764 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.316 -6.471 9.179 1.00 0.00 H new ATOM 0 HG SER A 31 -11.951 -4.773 8.381 1.00 0.00 H new ATOM 507 N HIS A 32 -9.793 -2.912 6.640 1.00 0.00 N ATOM 508 CA HIS A 32 -10.438 -1.707 6.149 1.00 0.00 C ATOM 509 C HIS A 32 -11.679 -2.083 5.337 1.00 0.00 C ATOM 510 O HIS A 32 -12.453 -2.947 5.744 1.00 0.00 O ATOM 511 CB HIS A 32 -9.451 -0.846 5.358 1.00 0.00 C ATOM 512 CG HIS A 32 -8.958 -1.490 4.084 1.00 0.00 C ATOM 513 ND1 HIS A 32 -8.018 -0.896 3.259 1.00 0.00 N ATOM 514 CD2 HIS A 32 -9.282 -2.681 3.504 1.00 0.00 C ATOM 515 CE1 HIS A 32 -7.796 -1.702 2.231 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.580 -2.807 2.385 1.00 0.00 N ATOM 0 H HIS A 32 -8.971 -3.202 6.110 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.768 -1.099 6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.928 0.103 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.595 -0.617 5.992 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.572 0.008 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.990 -3.400 3.890 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.114 -1.516 1.415 1.00 0.00 H new ATOM 524 N PHE A 33 -11.829 -1.416 4.202 1.00 0.00 N ATOM 525 CA PHE A 33 -12.963 -1.669 3.329 1.00 0.00 C ATOM 526 C PHE A 33 -12.836 -3.033 2.648 1.00 0.00 C ATOM 527 O PHE A 33 -11.952 -3.820 2.986 1.00 0.00 O ATOM 528 CB PHE A 33 -12.956 -0.576 2.259 1.00 0.00 C ATOM 529 CG PHE A 33 -13.539 0.759 2.729 1.00 0.00 C ATOM 530 CD1 PHE A 33 -12.978 1.412 3.782 1.00 0.00 C ATOM 531 CD2 PHE A 33 -14.617 1.291 2.094 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.518 2.651 4.218 1.00 0.00 C ATOM 533 CE2 PHE A 33 -15.158 2.530 2.531 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.597 3.183 3.583 1.00 0.00 C ATOM 0 H PHE A 33 -11.184 -0.701 3.867 1.00 0.00 H new ATOM 0 HA PHE A 33 -13.887 -1.666 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.931 -0.416 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.522 -0.924 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.122 0.988 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.062 0.772 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.072 3.171 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.015 2.953 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.008 4.125 3.915 1.00 0.00 H new ATOM 544 N LYS A 34 -13.732 -3.272 1.702 1.00 0.00 N ATOM 545 CA LYS A 34 -13.732 -4.528 0.971 1.00 0.00 C ATOM 546 C LYS A 34 -13.527 -4.246 -0.519 1.00 0.00 C ATOM 547 O LYS A 34 -13.237 -3.115 -0.906 1.00 0.00 O ATOM 548 CB LYS A 34 -15.000 -5.327 1.277 1.00 0.00 C ATOM 549 CG LYS A 34 -16.246 -4.588 0.783 1.00 0.00 C ATOM 550 CD LYS A 34 -17.115 -4.132 1.957 1.00 0.00 C ATOM 551 CE LYS A 34 -18.370 -4.998 2.078 1.00 0.00 C ATOM 552 NZ LYS A 34 -18.235 -5.951 3.203 1.00 0.00 N ATOM 0 H LYS A 34 -14.463 -2.617 1.425 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.902 -5.156 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.941 -6.306 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.076 -5.498 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.949 -3.724 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.825 -5.241 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.541 -4.186 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.400 -3.089 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.243 -4.364 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.534 -5.544 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.095 -6.531 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.414 -6.567 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.101 -5.424 4.090 1.00 0.00 H new ATOM 565 N THR A 35 -13.686 -5.293 -1.314 1.00 0.00 N ATOM 566 CA THR A 35 -13.522 -5.172 -2.753 1.00 0.00 C ATOM 567 C THR A 35 -14.734 -4.471 -3.371 1.00 0.00 C ATOM 568 O THR A 35 -15.854 -4.616 -2.883 1.00 0.00 O ATOM 569 CB THR A 35 -13.275 -6.571 -3.320 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.276 -7.121 -2.465 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.608 -6.536 -4.697 1.00 0.00 C ATOM 0 H THR A 35 -13.927 -6.230 -0.989 1.00 0.00 H new ATOM 0 HA THR A 35 -12.663 -4.548 -3.002 1.00 0.00 H new ATOM 0 HB THR A 35 -14.222 -7.107 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.057 -8.029 -2.760 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.455 -7.555 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.247 -5.998 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.646 -6.030 -4.622 1.00 0.00 H new ATOM 579 N GLY A 36 -14.469 -3.728 -4.435 1.00 0.00 N ATOM 580 CA GLY A 36 -15.524 -3.005 -5.124 1.00 0.00 C ATOM 581 C GLY A 36 -15.792 -1.656 -4.454 1.00 0.00 C ATOM 582 O GLY A 36 -16.457 -0.795 -5.028 1.00 0.00 O ATOM 0 H GLY A 36 -13.539 -3.611 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.242 -2.848 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.436 -3.601 -5.127 1.00 0.00 H new ATOM 586 N ASP A 37 -15.261 -1.514 -3.248 1.00 0.00 N ATOM 587 CA ASP A 37 -15.434 -0.284 -2.494 1.00 0.00 C ATOM 588 C ASP A 37 -14.323 0.699 -2.867 1.00 0.00 C ATOM 589 O ASP A 37 -13.577 0.467 -3.816 1.00 0.00 O ATOM 590 CB ASP A 37 -15.349 -0.545 -0.989 1.00 0.00 C ATOM 591 CG ASP A 37 -16.653 -0.324 -0.219 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.986 0.808 0.161 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.350 -1.390 -0.011 1.00 0.00 O ATOM 0 H ASP A 37 -14.711 -2.231 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.416 0.124 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.022 -1.573 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.581 0.102 -0.566 1.00 0.00 H new ATOM 599 N VAL A 38 -14.249 1.777 -2.100 1.00 0.00 N ATOM 600 CA VAL A 38 -13.242 2.797 -2.338 1.00 0.00 C ATOM 601 C VAL A 38 -12.184 2.730 -1.234 1.00 0.00 C ATOM 602 O VAL A 38 -12.495 2.397 -0.091 1.00 0.00 O ATOM 603 CB VAL A 38 -13.904 4.171 -2.449 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.162 5.208 -1.604 1.00 0.00 C ATOM 605 CG2 VAL A 38 -13.997 4.619 -3.909 1.00 0.00 C ATOM 0 H VAL A 38 -14.870 1.966 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.735 2.619 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.918 4.086 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.654 6.176 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.171 4.900 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.131 5.288 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.472 5.599 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.996 4.678 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.590 3.899 -4.473 1.00 0.00 H new ATOM 615 N LEU A 39 -10.957 3.054 -1.614 1.00 0.00 N ATOM 616 CA LEU A 39 -9.852 3.035 -0.670 1.00 0.00 C ATOM 617 C LEU A 39 -9.129 4.383 -0.711 1.00 0.00 C ATOM 618 O LEU A 39 -8.403 4.673 -1.660 1.00 0.00 O ATOM 619 CB LEU A 39 -8.937 1.839 -0.940 1.00 0.00 C ATOM 620 CG LEU A 39 -9.409 0.494 -0.382 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.654 -0.665 -1.033 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.299 0.465 1.144 1.00 0.00 C ATOM 0 H LEU A 39 -10.703 3.331 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.222 2.901 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.812 1.739 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.954 2.058 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.463 0.372 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.009 -1.609 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.827 -0.653 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.587 -0.560 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.641 -0.501 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.261 0.620 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.917 1.256 1.568 1.00 0.00 H new ATOM 634 N ARG A 40 -9.354 5.171 0.330 1.00 0.00 N ATOM 635 CA ARG A 40 -8.734 6.481 0.426 1.00 0.00 C ATOM 636 C ARG A 40 -7.221 6.340 0.610 1.00 0.00 C ATOM 637 O ARG A 40 -6.760 5.461 1.337 1.00 0.00 O ATOM 638 CB ARG A 40 -9.311 7.280 1.596 1.00 0.00 C ATOM 639 CG ARG A 40 -10.347 8.295 1.108 1.00 0.00 C ATOM 640 CD ARG A 40 -11.587 8.286 2.005 1.00 0.00 C ATOM 641 NE ARG A 40 -12.795 8.580 1.203 1.00 0.00 N ATOM 642 CZ ARG A 40 -13.121 9.809 0.748 1.00 0.00 C ATOM 643 NH1 ARG A 40 -12.330 10.870 1.013 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.224 9.957 0.039 1.00 0.00 N ATOM 0 H ARG A 40 -9.958 4.927 1.115 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.943 7.015 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.772 6.601 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.507 7.798 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.908 9.293 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.634 8.063 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.689 7.314 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.478 9.026 2.798 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.421 7.806 0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.478 10.747 1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.584 11.795 0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.816 9.150 -0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.485 10.878 -0.312 1.00 0.00 H new ATOM 657 N VAL A 41 -6.491 7.219 -0.061 1.00 0.00 N ATOM 658 CA VAL A 41 -5.040 7.203 0.019 1.00 0.00 C ATOM 659 C VAL A 41 -4.527 8.636 0.177 1.00 0.00 C ATOM 660 O VAL A 41 -5.302 9.588 0.102 1.00 0.00 O ATOM 661 CB VAL A 41 -4.456 6.490 -1.202 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.366 5.347 -1.657 1.00 0.00 C ATOM 663 CG2 VAL A 41 -4.201 7.476 -2.343 1.00 0.00 C ATOM 0 H VAL A 41 -6.877 7.947 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.712 6.642 0.894 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.498 6.059 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.928 4.857 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.474 4.624 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.346 5.745 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.786 6.943 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.139 7.950 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.496 8.239 -2.014 1.00 0.00 H new ATOM 673 N GLY A 42 -3.225 8.743 0.393 1.00 0.00 N ATOM 674 CA GLY A 42 -2.599 10.044 0.563 1.00 0.00 C ATOM 675 C GLY A 42 -1.085 9.905 0.738 1.00 0.00 C ATOM 676 O GLY A 42 -0.387 9.477 -0.180 1.00 0.00 O ATOM 0 H GLY A 42 -2.586 7.951 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.813 10.670 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.025 10.546 1.432 1.00 0.00 H new ATOM 680 N ARG A 43 -0.622 10.276 1.923 1.00 0.00 N ATOM 681 CA ARG A 43 0.796 10.198 2.230 1.00 0.00 C ATOM 682 C ARG A 43 1.002 9.689 3.658 1.00 0.00 C ATOM 683 O ARG A 43 0.424 10.225 4.602 1.00 0.00 O ATOM 684 CB ARG A 43 1.467 11.565 2.081 1.00 0.00 C ATOM 685 CG ARG A 43 2.365 11.603 0.843 1.00 0.00 C ATOM 686 CD ARG A 43 3.044 12.967 0.700 1.00 0.00 C ATOM 687 NE ARG A 43 4.495 12.787 0.472 1.00 0.00 N ATOM 688 CZ ARG A 43 5.308 13.746 -0.022 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.817 14.961 -0.344 1.00 0.00 N ATOM 690 NH2 ARG A 43 6.590 13.476 -0.185 1.00 0.00 N ATOM 0 H ARG A 43 -1.204 10.631 2.682 1.00 0.00 H new ATOM 0 HA ARG A 43 1.251 9.504 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.706 12.342 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.058 11.783 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.122 10.822 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.772 11.393 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.602 13.517 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.879 13.561 1.599 1.00 0.00 H new ATOM 0 HE ARG A 43 4.907 11.883 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.825 15.161 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.438 15.680 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.952 12.555 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.218 14.189 -0.557 1.00 0.00 H new ATOM 703 N PHE A 44 1.829 8.660 3.771 1.00 0.00 N ATOM 704 CA PHE A 44 2.119 8.072 5.067 1.00 0.00 C ATOM 705 C PHE A 44 3.039 8.979 5.887 1.00 0.00 C ATOM 706 O PHE A 44 3.040 8.921 7.116 1.00 0.00 O ATOM 707 CB PHE A 44 2.833 6.744 4.807 1.00 0.00 C ATOM 708 CG PHE A 44 2.580 5.681 5.878 1.00 0.00 C ATOM 709 CD1 PHE A 44 3.106 5.831 7.123 1.00 0.00 C ATOM 710 CD2 PHE A 44 1.829 4.586 5.585 1.00 0.00 C ATOM 711 CE1 PHE A 44 2.871 4.844 8.117 1.00 0.00 C ATOM 712 CE2 PHE A 44 1.593 3.599 6.578 1.00 0.00 C ATOM 713 CZ PHE A 44 2.119 3.749 7.823 1.00 0.00 C ATOM 0 H PHE A 44 2.307 8.219 2.986 1.00 0.00 H new ATOM 0 HA PHE A 44 1.194 7.934 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.513 6.355 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.905 6.927 4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.702 6.701 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.412 4.467 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.289 4.963 9.106 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.996 2.730 6.345 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.940 2.999 8.579 1.00 0.00 H new ATOM 723 N GLU A 45 3.800 9.797 5.174 1.00 0.00 N ATOM 724 CA GLU A 45 4.722 10.715 5.820 1.00 0.00 C ATOM 725 C GLU A 45 4.024 11.449 6.967 1.00 0.00 C ATOM 726 O GLU A 45 4.562 11.539 8.070 1.00 0.00 O ATOM 727 CB GLU A 45 5.306 11.706 4.811 1.00 0.00 C ATOM 728 CG GLU A 45 6.830 11.587 4.746 1.00 0.00 C ATOM 729 CD GLU A 45 7.502 12.733 5.505 1.00 0.00 C ATOM 730 OE1 GLU A 45 7.243 13.909 5.209 1.00 0.00 O ATOM 731 OE2 GLU A 45 8.320 12.367 6.433 1.00 0.00 O ATOM 0 H GLU A 45 3.797 9.843 4.155 1.00 0.00 H new ATOM 0 HA GLU A 45 5.549 10.137 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.881 11.520 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.028 12.722 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.142 10.633 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.155 11.595 3.706 1.00 0.00 H new ATOM 739 N ASP A 46 2.836 11.954 6.669 1.00 0.00 N ATOM 740 CA ASP A 46 2.059 12.676 7.662 1.00 0.00 C ATOM 741 C ASP A 46 0.857 13.334 6.982 1.00 0.00 C ATOM 742 O ASP A 46 -0.210 13.456 7.582 1.00 0.00 O ATOM 743 CB ASP A 46 2.893 13.778 8.318 1.00 0.00 C ATOM 744 CG ASP A 46 3.985 14.379 7.431 1.00 0.00 C ATOM 745 OD1 ASP A 46 5.142 13.934 7.453 1.00 0.00 O ATOM 746 OD2 ASP A 46 3.602 15.357 6.682 1.00 0.00 O ATOM 0 H ASP A 46 2.392 11.877 5.754 1.00 0.00 H new ATOM 0 HA ASP A 46 1.739 11.964 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.224 14.578 8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.358 13.374 9.217 1.00 0.00 H new ATOM 752 N ASP A 47 1.070 13.741 5.739 1.00 0.00 N ATOM 753 CA ASP A 47 0.017 14.384 4.971 1.00 0.00 C ATOM 754 C ASP A 47 -1.288 13.605 5.152 1.00 0.00 C ATOM 755 O ASP A 47 -2.258 14.131 5.696 1.00 0.00 O ATOM 756 CB ASP A 47 0.354 14.400 3.479 1.00 0.00 C ATOM 757 CG ASP A 47 0.379 15.789 2.837 1.00 0.00 C ATOM 758 OD1 ASP A 47 1.448 16.311 2.485 1.00 0.00 O ATOM 759 OD2 ASP A 47 -0.776 16.347 2.700 1.00 0.00 O ATOM 0 H ASP A 47 1.956 13.638 5.245 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.083 15.409 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.329 13.933 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.374 13.785 2.951 1.00 0.00 H new ATOM 765 N GLY A 48 -1.269 12.365 4.686 1.00 0.00 N ATOM 766 CA GLY A 48 -2.439 11.509 4.789 1.00 0.00 C ATOM 767 C GLY A 48 -3.644 12.141 4.090 1.00 0.00 C ATOM 768 O GLY A 48 -3.708 13.360 3.935 1.00 0.00 O ATOM 0 H GLY A 48 -0.462 11.932 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.224 10.538 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.674 11.333 5.839 1.00 0.00 H new ATOM 772 N TYR A 49 -4.571 11.284 3.688 1.00 0.00 N ATOM 773 CA TYR A 49 -5.771 11.743 3.009 1.00 0.00 C ATOM 774 C TYR A 49 -5.435 12.800 1.955 1.00 0.00 C ATOM 775 O TYR A 49 -5.303 13.981 2.275 1.00 0.00 O ATOM 776 CB TYR A 49 -6.649 12.378 4.089 1.00 0.00 C ATOM 777 CG TYR A 49 -7.672 13.380 3.550 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.709 12.945 2.751 1.00 0.00 C ATOM 779 CD2 TYR A 49 -7.556 14.720 3.862 1.00 0.00 C ATOM 780 CE1 TYR A 49 -9.672 13.889 2.243 1.00 0.00 C ATOM 781 CE2 TYR A 49 -8.518 15.663 3.355 1.00 0.00 C ATOM 782 CZ TYR A 49 -9.529 15.201 2.570 1.00 0.00 C ATOM 783 OH TYR A 49 -10.437 16.092 2.091 1.00 0.00 O ATOM 0 H TYR A 49 -4.515 10.274 3.819 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.265 10.915 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.176 11.589 4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.009 12.882 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.799 11.897 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.743 15.061 4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.489 13.562 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.439 16.714 3.592 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.210 16.992 2.406 1.00 0.00 H new ATOM 793 N PHE A 50 -5.305 12.338 0.720 1.00 0.00 N ATOM 794 CA PHE A 50 -4.987 13.229 -0.382 1.00 0.00 C ATOM 795 C PHE A 50 -5.849 12.917 -1.607 1.00 0.00 C ATOM 796 O PHE A 50 -6.366 13.825 -2.255 1.00 0.00 O ATOM 797 CB PHE A 50 -3.517 12.996 -0.736 1.00 0.00 C ATOM 798 CG PHE A 50 -2.786 14.251 -1.218 1.00 0.00 C ATOM 799 CD1 PHE A 50 -3.240 14.926 -2.307 1.00 0.00 C ATOM 800 CD2 PHE A 50 -1.681 14.691 -0.557 1.00 0.00 C ATOM 801 CE1 PHE A 50 -2.562 16.091 -2.755 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.003 15.855 -1.004 1.00 0.00 C ATOM 803 CZ PHE A 50 -1.458 16.531 -2.094 1.00 0.00 C ATOM 0 H PHE A 50 -5.414 11.358 0.459 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.177 14.262 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.001 12.601 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.457 12.233 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.117 14.576 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.320 14.154 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.923 16.627 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.126 16.204 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.942 17.417 -2.434 1.00 0.00 H new ATOM 813 N CYS A 51 -5.978 11.628 -1.887 1.00 0.00 N ATOM 814 CA CYS A 51 -6.768 11.184 -3.022 1.00 0.00 C ATOM 815 C CYS A 51 -7.506 9.904 -2.622 1.00 0.00 C ATOM 816 O CYS A 51 -7.339 9.409 -1.509 1.00 0.00 O ATOM 817 CB CYS A 51 -5.904 10.979 -4.268 1.00 0.00 C ATOM 818 SG CYS A 51 -4.666 12.320 -4.398 1.00 0.00 S ATOM 0 H CYS A 51 -5.548 10.877 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.493 11.953 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.402 10.013 -4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.533 10.965 -5.158 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.936 12.136 -5.458 1.00 0.00 H new ATOM 824 N THR A 52 -8.307 9.406 -3.553 1.00 0.00 N ATOM 825 CA THR A 52 -9.071 8.194 -3.312 1.00 0.00 C ATOM 826 C THR A 52 -8.904 7.217 -4.478 1.00 0.00 C ATOM 827 O THR A 52 -8.625 7.630 -5.603 1.00 0.00 O ATOM 828 CB THR A 52 -10.525 8.594 -3.058 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.432 9.664 -2.121 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.309 7.512 -2.312 1.00 0.00 C ATOM 0 H THR A 52 -8.443 9.820 -4.475 1.00 0.00 H new ATOM 0 HA THR A 52 -8.706 7.665 -2.431 1.00 0.00 H new ATOM 0 HB THR A 52 -11.014 8.806 -4.009 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.331 9.986 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.335 7.847 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.312 6.594 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.840 7.323 -1.346 1.00 0.00 H new ATOM 838 N ILE A 53 -9.081 5.941 -4.169 1.00 0.00 N ATOM 839 CA ILE A 53 -8.954 4.903 -5.178 1.00 0.00 C ATOM 840 C ILE A 53 -10.003 3.819 -4.923 1.00 0.00 C ATOM 841 O ILE A 53 -10.684 3.838 -3.899 1.00 0.00 O ATOM 842 CB ILE A 53 -7.519 4.372 -5.222 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.366 3.134 -4.335 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.517 5.468 -4.855 1.00 0.00 C ATOM 845 CD1 ILE A 53 -5.902 2.696 -4.254 1.00 0.00 C ATOM 0 H ILE A 53 -9.311 5.602 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.150 5.310 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.299 4.065 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.741 3.350 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.972 2.320 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.505 5.064 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.606 6.293 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.725 5.829 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.821 1.815 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.538 2.457 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.303 3.504 -3.833 1.00 0.00 H new ATOM 857 N GLU A 54 -10.101 2.900 -5.873 1.00 0.00 N ATOM 858 CA GLU A 54 -11.057 1.811 -5.764 1.00 0.00 C ATOM 859 C GLU A 54 -10.326 0.467 -5.724 1.00 0.00 C ATOM 860 O GLU A 54 -9.215 0.345 -6.236 1.00 0.00 O ATOM 861 CB GLU A 54 -12.067 1.851 -6.912 1.00 0.00 C ATOM 862 CG GLU A 54 -13.501 1.883 -6.379 1.00 0.00 C ATOM 863 CD GLU A 54 -14.412 2.692 -7.305 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.867 2.175 -8.335 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.643 3.902 -6.920 1.00 0.00 O ATOM 0 H GLU A 54 -9.534 2.887 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.611 1.931 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.885 2.730 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.932 0.978 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.881 0.866 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.512 2.319 -5.380 1.00 0.00 H new ATOM 873 N VAL A 55 -10.981 -0.508 -5.110 1.00 0.00 N ATOM 874 CA VAL A 55 -10.408 -1.838 -4.995 1.00 0.00 C ATOM 875 C VAL A 55 -10.631 -2.599 -6.304 1.00 0.00 C ATOM 876 O VAL A 55 -11.516 -2.252 -7.085 1.00 0.00 O ATOM 877 CB VAL A 55 -10.993 -2.557 -3.778 1.00 0.00 C ATOM 878 CG1 VAL A 55 -9.932 -3.413 -3.084 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.620 -1.561 -2.801 1.00 0.00 C ATOM 0 H VAL A 55 -11.903 -0.403 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.332 -1.778 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.782 -3.222 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.374 -3.913 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.553 -4.160 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.111 -2.777 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.028 -2.099 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.860 -0.859 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.420 -1.015 -3.301 1.00 0.00 H new ATOM 889 N THR A 56 -9.814 -3.622 -6.503 1.00 0.00 N ATOM 890 CA THR A 56 -9.911 -4.435 -7.704 1.00 0.00 C ATOM 891 C THR A 56 -9.876 -5.922 -7.345 1.00 0.00 C ATOM 892 O THR A 56 -10.657 -6.711 -7.876 1.00 0.00 O ATOM 893 CB THR A 56 -8.788 -4.013 -8.653 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.060 -4.729 -9.854 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.419 -4.535 -8.210 1.00 0.00 C ATOM 0 H THR A 56 -9.081 -3.907 -5.853 1.00 0.00 H new ATOM 0 HA THR A 56 -10.862 -4.277 -8.213 1.00 0.00 H new ATOM 0 HB THR A 56 -8.758 -2.925 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.380 -4.512 -10.525 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.658 -4.207 -8.918 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.185 -4.146 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.438 -5.624 -8.177 1.00 0.00 H new ATOM 903 N ALA A 57 -8.963 -6.260 -6.447 1.00 0.00 N ATOM 904 CA ALA A 57 -8.817 -7.639 -6.011 1.00 0.00 C ATOM 905 C ALA A 57 -8.305 -7.662 -4.569 1.00 0.00 C ATOM 906 O ALA A 57 -7.883 -6.635 -4.040 1.00 0.00 O ATOM 907 CB ALA A 57 -7.886 -8.382 -6.972 1.00 0.00 C ATOM 0 H ALA A 57 -8.317 -5.603 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.779 -8.151 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.776 -9.416 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.309 -8.362 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.909 -7.898 -6.979 1.00 0.00 H new ATOM 913 N THR A 58 -8.359 -8.845 -3.975 1.00 0.00 N ATOM 914 CA THR A 58 -7.906 -9.015 -2.605 1.00 0.00 C ATOM 915 C THR A 58 -7.519 -10.473 -2.348 1.00 0.00 C ATOM 916 O THR A 58 -8.161 -11.389 -2.860 1.00 0.00 O ATOM 917 CB THR A 58 -9.010 -8.507 -1.675 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.797 -7.099 -1.620 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.817 -8.969 -0.230 1.00 0.00 C ATOM 0 H THR A 58 -8.709 -9.695 -4.417 1.00 0.00 H new ATOM 0 HA THR A 58 -7.005 -8.433 -2.412 1.00 0.00 H new ATOM 0 HB THR A 58 -9.978 -8.851 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.207 -6.828 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.627 -8.581 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.822 -10.058 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.864 -8.597 0.147 1.00 0.00 H new ATOM 927 N SER A 59 -6.470 -10.643 -1.556 1.00 0.00 N ATOM 928 CA SER A 59 -5.990 -11.973 -1.226 1.00 0.00 C ATOM 929 C SER A 59 -5.180 -11.930 0.072 1.00 0.00 C ATOM 930 O SER A 59 -4.804 -10.856 0.537 1.00 0.00 O ATOM 931 CB SER A 59 -5.143 -12.551 -2.361 1.00 0.00 C ATOM 932 OG SER A 59 -4.855 -11.577 -3.361 1.00 0.00 O ATOM 0 H SER A 59 -5.940 -9.881 -1.134 1.00 0.00 H new ATOM 0 HA SER A 59 -6.854 -12.623 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.210 -12.941 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.669 -13.391 -2.814 1.00 0.00 H new ATOM 0 HG SER A 59 -4.311 -11.984 -4.067 1.00 0.00 H new ATOM 938 N THR A 60 -4.935 -13.112 0.618 1.00 0.00 N ATOM 939 CA THR A 60 -4.177 -13.223 1.853 1.00 0.00 C ATOM 940 C THR A 60 -2.754 -13.706 1.563 1.00 0.00 C ATOM 941 O THR A 60 -2.553 -14.853 1.167 1.00 0.00 O ATOM 942 CB THR A 60 -4.949 -14.141 2.802 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.642 -15.034 1.934 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.065 -13.407 3.548 1.00 0.00 C ATOM 0 H THR A 60 -5.248 -14.001 0.228 1.00 0.00 H new ATOM 0 HA THR A 60 -4.065 -12.253 2.337 1.00 0.00 H new ATOM 0 HB THR A 60 -4.259 -14.581 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.168 -15.666 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.581 -14.104 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.636 -12.598 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.774 -12.995 2.829 1.00 0.00 H new ATOM 952 N VAL A 61 -1.804 -12.807 1.773 1.00 0.00 N ATOM 953 CA VAL A 61 -0.406 -13.128 1.540 1.00 0.00 C ATOM 954 C VAL A 61 0.474 -12.185 2.364 1.00 0.00 C ATOM 955 O VAL A 61 -0.022 -11.230 2.959 1.00 0.00 O ATOM 956 CB VAL A 61 -0.100 -13.074 0.041 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.767 -14.261 -0.384 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.389 -13.015 -0.780 1.00 0.00 C ATOM 0 H VAL A 61 -1.975 -11.857 2.102 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.188 -14.145 1.867 1.00 0.00 H new ATOM 0 HB VAL A 61 0.463 -12.161 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.970 -14.199 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.708 -14.240 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.242 -15.191 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.143 -12.977 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.990 -13.902 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.954 -12.124 -0.507 1.00 0.00 H new ATOM 968 N THR A 62 1.764 -12.488 2.372 1.00 0.00 N ATOM 969 CA THR A 62 2.717 -11.680 3.113 1.00 0.00 C ATOM 970 C THR A 62 2.884 -10.311 2.451 1.00 0.00 C ATOM 971 O THR A 62 1.977 -9.830 1.772 1.00 0.00 O ATOM 972 CB THR A 62 4.024 -12.467 3.218 1.00 0.00 C ATOM 973 OG1 THR A 62 3.603 -13.824 3.331 1.00 0.00 O ATOM 974 CG2 THR A 62 4.766 -12.198 4.529 1.00 0.00 C ATOM 0 H THR A 62 2.171 -13.282 1.877 1.00 0.00 H new ATOM 0 HA THR A 62 2.361 -11.477 4.123 1.00 0.00 H new ATOM 0 HB THR A 62 4.669 -12.213 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.389 -14.405 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.687 -12.781 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.007 -11.137 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.134 -12.484 5.370 1.00 0.00 H new ATOM 982 N LEU A 63 4.050 -9.721 2.671 1.00 0.00 N ATOM 983 CA LEU A 63 4.347 -8.416 2.104 1.00 0.00 C ATOM 984 C LEU A 63 5.201 -8.595 0.847 1.00 0.00 C ATOM 985 O LEU A 63 4.718 -8.403 -0.268 1.00 0.00 O ATOM 986 CB LEU A 63 4.985 -7.507 3.156 1.00 0.00 C ATOM 987 CG LEU A 63 6.114 -8.127 3.982 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.446 -7.428 3.701 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.769 -8.124 5.473 1.00 0.00 C ATOM 0 H LEU A 63 4.800 -10.122 3.234 1.00 0.00 H new ATOM 0 HA LEU A 63 3.428 -7.915 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.373 -6.621 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.204 -7.171 3.839 1.00 0.00 H new ATOM 0 HG LEU A 63 6.226 -9.168 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.232 -7.888 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.692 -7.526 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.364 -6.372 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.588 -8.570 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.614 -7.099 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.859 -8.701 5.637 1.00 0.00 H new ATOM 1001 N ASP A 64 6.455 -8.959 1.068 1.00 0.00 N ATOM 1002 CA ASP A 64 7.380 -9.165 -0.033 1.00 0.00 C ATOM 1003 C ASP A 64 6.804 -10.213 -0.988 1.00 0.00 C ATOM 1004 O ASP A 64 7.331 -10.418 -2.080 1.00 0.00 O ATOM 1005 CB ASP A 64 8.731 -9.677 0.471 1.00 0.00 C ATOM 1006 CG ASP A 64 9.953 -9.035 -0.188 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.824 -8.131 -1.028 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.091 -9.504 0.197 1.00 0.00 O ATOM 0 H ASP A 64 6.853 -9.117 1.994 1.00 0.00 H new ATOM 0 HA ASP A 64 7.522 -8.209 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.787 -9.510 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.776 -10.755 0.313 1.00 0.00 H new ATOM 1014 N THR A 65 5.730 -10.847 -0.542 1.00 0.00 N ATOM 1015 CA THR A 65 5.077 -11.868 -1.343 1.00 0.00 C ATOM 1016 C THR A 65 4.338 -11.230 -2.520 1.00 0.00 C ATOM 1017 O THR A 65 3.791 -11.932 -3.370 1.00 0.00 O ATOM 1018 CB THR A 65 4.165 -12.681 -0.422 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.661 -11.721 0.503 1.00 0.00 O ATOM 1020 CG2 THR A 65 4.944 -13.667 0.452 1.00 0.00 C ATOM 0 H THR A 65 5.295 -10.673 0.364 1.00 0.00 H new ATOM 0 HA THR A 65 5.805 -12.548 -1.786 1.00 0.00 H new ATOM 0 HB THR A 65 3.436 -13.225 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.171 -11.025 0.018 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.250 -14.218 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.488 -14.366 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.650 -13.120 1.077 1.00 0.00 H new ATOM 1028 N LEU A 66 4.344 -9.905 -2.534 1.00 0.00 N ATOM 1029 CA LEU A 66 3.681 -9.164 -3.593 1.00 0.00 C ATOM 1030 C LEU A 66 3.981 -7.672 -3.431 1.00 0.00 C ATOM 1031 O LEU A 66 4.195 -6.968 -4.417 1.00 0.00 O ATOM 1032 CB LEU A 66 2.187 -9.491 -3.621 1.00 0.00 C ATOM 1033 CG LEU A 66 1.448 -9.367 -2.287 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.920 -7.945 -2.083 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.336 -10.412 -2.177 1.00 0.00 C ATOM 0 H LEU A 66 4.798 -9.325 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 66 4.068 -9.463 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.705 -8.832 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.065 -10.510 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 66 2.157 -9.566 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.399 -7.884 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.754 -7.243 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.231 -7.694 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.173 -10.302 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.379 -10.269 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.767 -11.411 -2.246 1.00 0.00 H new ATOM 1047 N THR A 67 3.987 -7.235 -2.181 1.00 0.00 N ATOM 1048 CA THR A 67 4.258 -5.840 -1.877 1.00 0.00 C ATOM 1049 C THR A 67 5.431 -5.329 -2.716 1.00 0.00 C ATOM 1050 O THR A 67 6.276 -6.111 -3.148 1.00 0.00 O ATOM 1051 CB THR A 67 4.492 -5.721 -0.370 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.109 -4.383 -0.064 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.975 -5.778 -0.001 1.00 0.00 C ATOM 0 H THR A 67 3.809 -7.822 -1.366 1.00 0.00 H new ATOM 0 HA THR A 67 3.411 -5.207 -2.140 1.00 0.00 H new ATOM 0 HB THR A 67 3.960 -6.521 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.227 -4.220 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.085 -5.689 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.396 -6.728 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.503 -4.958 -0.488 1.00 0.00 H new ATOM 1061 N GLU A 68 5.444 -4.020 -2.921 1.00 0.00 N ATOM 1062 CA GLU A 68 6.499 -3.396 -3.701 1.00 0.00 C ATOM 1063 C GLU A 68 7.870 -3.878 -3.222 1.00 0.00 C ATOM 1064 O GLU A 68 8.845 -3.829 -3.969 1.00 0.00 O ATOM 1065 CB GLU A 68 6.401 -1.870 -3.634 1.00 0.00 C ATOM 1066 CG GLU A 68 5.627 -1.318 -4.833 1.00 0.00 C ATOM 1067 CD GLU A 68 6.518 -0.419 -5.693 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.595 -0.851 -6.131 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.055 0.766 -5.904 1.00 0.00 O ATOM 0 H GLU A 68 4.741 -3.375 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 68 6.376 -3.690 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.906 -1.574 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.402 -1.438 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.246 -2.143 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.763 -0.753 -4.484 1.00 0.00 H new ATOM 1077 N LYS A 69 7.900 -4.334 -1.978 1.00 0.00 N ATOM 1078 CA LYS A 69 9.134 -4.825 -1.390 1.00 0.00 C ATOM 1079 C LYS A 69 9.822 -5.772 -2.376 1.00 0.00 C ATOM 1080 O LYS A 69 11.049 -5.860 -2.404 1.00 0.00 O ATOM 1081 CB LYS A 69 8.864 -5.453 -0.022 1.00 0.00 C ATOM 1082 CG LYS A 69 10.172 -5.744 0.716 1.00 0.00 C ATOM 1083 CD LYS A 69 9.916 -6.564 1.982 1.00 0.00 C ATOM 1084 CE LYS A 69 11.223 -7.134 2.540 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.995 -8.474 3.126 1.00 0.00 N ATOM 0 H LYS A 69 7.089 -4.374 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 69 9.822 -4.000 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.247 -4.781 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.300 -6.377 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.852 -6.286 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.662 -4.806 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.438 -5.938 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.226 -7.378 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.967 -7.200 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.625 -6.462 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.850 -8.781 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.195 -8.431 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.780 -9.152 2.368 1.00 0.00 H new ATOM 1098 N HIS A 70 9.002 -6.456 -3.161 1.00 0.00 N ATOM 1099 CA HIS A 70 9.516 -7.393 -4.145 1.00 0.00 C ATOM 1100 C HIS A 70 10.090 -6.622 -5.336 1.00 0.00 C ATOM 1101 O HIS A 70 11.228 -6.856 -5.740 1.00 0.00 O ATOM 1102 CB HIS A 70 8.437 -8.397 -4.554 1.00 0.00 C ATOM 1103 CG HIS A 70 8.768 -9.180 -5.802 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.303 -10.456 -5.767 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.633 -8.855 -7.120 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.479 -10.870 -7.013 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.064 -9.876 -7.850 1.00 0.00 N ATOM 0 H HIS A 70 7.985 -6.380 -3.135 1.00 0.00 H new ATOM 0 HA HIS A 70 10.327 -7.976 -3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.274 -9.094 -3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.499 -7.864 -4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.242 -7.925 -7.504 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.881 -11.827 -7.313 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.082 -9.912 -8.869 1.00 0.00 H new ATOM 1115 N ALA A 71 9.277 -5.720 -5.864 1.00 0.00 N ATOM 1116 CA ALA A 71 9.690 -4.914 -7.000 1.00 0.00 C ATOM 1117 C ALA A 71 10.989 -4.182 -6.655 1.00 0.00 C ATOM 1118 O ALA A 71 11.970 -4.273 -7.391 1.00 0.00 O ATOM 1119 CB ALA A 71 8.562 -3.952 -7.380 1.00 0.00 C ATOM 0 H ALA A 71 8.334 -5.529 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 71 9.887 -5.545 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.871 -3.347 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.671 -4.522 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.339 -3.301 -6.535 1.00 0.00 H new ATOM 1125 N GLU A 72 10.953 -3.474 -5.536 1.00 0.00 N ATOM 1126 CA GLU A 72 12.115 -2.727 -5.085 1.00 0.00 C ATOM 1127 C GLU A 72 13.269 -3.681 -4.772 1.00 0.00 C ATOM 1128 O GLU A 72 14.417 -3.407 -5.119 1.00 0.00 O ATOM 1129 CB GLU A 72 11.773 -1.862 -3.871 1.00 0.00 C ATOM 1130 CG GLU A 72 11.878 -0.374 -4.211 1.00 0.00 C ATOM 1131 CD GLU A 72 11.008 0.466 -3.273 1.00 0.00 C ATOM 1132 OE1 GLU A 72 9.775 0.335 -3.289 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.657 1.277 -2.508 1.00 0.00 O ATOM 0 H GLU A 72 10.137 -3.402 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 72 12.429 -2.060 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.763 -2.090 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.448 -2.099 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.917 -0.052 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.569 -0.211 -5.243 1.00 0.00 H new ATOM 1141 N GLN A 73 12.925 -4.781 -4.118 1.00 0.00 N ATOM 1142 CA GLN A 73 13.919 -5.777 -3.754 1.00 0.00 C ATOM 1143 C GLN A 73 14.805 -6.106 -4.956 1.00 0.00 C ATOM 1144 O GLN A 73 16.002 -6.347 -4.802 1.00 0.00 O ATOM 1145 CB GLN A 73 13.253 -7.038 -3.201 1.00 0.00 C ATOM 1146 CG GLN A 73 14.109 -8.276 -3.477 1.00 0.00 C ATOM 1147 CD GLN A 73 13.649 -9.462 -2.628 1.00 0.00 C ATOM 1148 OE1 GLN A 73 12.846 -9.333 -1.719 1.00 0.00 O ATOM 1149 NE2 GLN A 73 14.200 -10.622 -2.974 1.00 0.00 N ATOM 0 H GLN A 73 11.972 -5.004 -3.831 1.00 0.00 H new ATOM 0 HA GLN A 73 14.549 -5.364 -2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.098 -6.931 -2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.270 -7.163 -3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.049 -8.536 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.154 -8.055 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.866 -10.660 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.957 -11.473 -2.468 1.00 0.00 H new ATOM 1158 N GLU A 74 14.184 -6.107 -6.127 1.00 0.00 N ATOM 1159 CA GLU A 74 14.902 -6.403 -7.355 1.00 0.00 C ATOM 1160 C GLU A 74 15.226 -5.110 -8.105 1.00 0.00 C ATOM 1161 O GLU A 74 15.306 -5.104 -9.333 1.00 0.00 O ATOM 1162 CB GLU A 74 14.105 -7.364 -8.238 1.00 0.00 C ATOM 1163 CG GLU A 74 14.875 -8.667 -8.466 1.00 0.00 C ATOM 1164 CD GLU A 74 15.533 -8.680 -9.847 1.00 0.00 C ATOM 1165 OE1 GLU A 74 15.985 -7.630 -10.328 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.567 -9.833 -10.424 1.00 0.00 O ATOM 0 H GLU A 74 13.191 -5.907 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 74 15.840 -6.894 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.145 -7.582 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.892 -6.891 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.637 -8.783 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.197 -9.515 -8.374 1.00 0.00 H new ATOM 1174 N ASN A 75 15.405 -4.046 -7.336 1.00 0.00 N ATOM 1175 CA ASN A 75 15.718 -2.750 -7.913 1.00 0.00 C ATOM 1176 C ASN A 75 16.534 -1.933 -6.908 1.00 0.00 C ATOM 1177 O ASN A 75 17.679 -1.575 -7.178 1.00 0.00 O ATOM 1178 CB ASN A 75 14.444 -1.967 -8.235 1.00 0.00 C ATOM 1179 CG ASN A 75 14.687 -0.964 -9.364 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.771 -0.858 -9.913 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.619 -0.236 -9.680 1.00 0.00 N ATOM 0 H ASN A 75 15.339 -4.055 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 75 16.280 -2.917 -8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.651 -2.658 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.101 -1.441 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.679 0.461 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.741 -0.375 -9.180 1.00 0.00 H new ATOM 1188 N MET A 76 15.911 -1.662 -5.770 1.00 0.00 N ATOM 1189 CA MET A 76 16.565 -0.895 -4.724 1.00 0.00 C ATOM 1190 C MET A 76 17.328 -1.812 -3.766 1.00 0.00 C ATOM 1191 O MET A 76 17.334 -3.029 -3.940 1.00 0.00 O ATOM 1192 CB MET A 76 15.516 -0.100 -3.943 1.00 0.00 C ATOM 1193 CG MET A 76 14.895 0.993 -4.816 1.00 0.00 C ATOM 1194 SD MET A 76 16.163 2.111 -5.389 1.00 0.00 S ATOM 1195 CE MET A 76 16.410 1.479 -7.040 1.00 0.00 C ATOM 0 H MET A 76 14.961 -1.960 -5.550 1.00 0.00 H new ATOM 0 HA MET A 76 17.278 -0.215 -5.190 1.00 0.00 H new ATOM 0 HB2 MET A 76 14.736 -0.773 -3.586 1.00 0.00 H new ATOM 0 HB3 MET A 76 15.976 0.350 -3.063 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.384 0.543 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.145 1.542 -4.247 1.00 0.00 H new ATOM 0 HE1 MET A 76 17.412 1.058 -7.122 1.00 0.00 H new ATOM 0 HE2 MET A 76 15.673 0.703 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 76 16.296 2.289 -7.760 1.00 0.00 H new ATOM 1205 N THR A 77 17.953 -1.192 -2.776 1.00 0.00 N ATOM 1206 CA THR A 77 18.717 -1.937 -1.790 1.00 0.00 C ATOM 1207 C THR A 77 17.823 -2.343 -0.617 1.00 0.00 C ATOM 1208 O THR A 77 16.627 -2.055 -0.615 1.00 0.00 O ATOM 1209 CB THR A 77 19.914 -1.080 -1.374 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.593 -1.878 -0.408 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.497 0.170 -0.597 1.00 0.00 C ATOM 0 H THR A 77 17.946 -0.182 -2.636 1.00 0.00 H new ATOM 0 HA THR A 77 19.096 -2.870 -2.206 1.00 0.00 H new ATOM 0 HB THR A 77 20.475 -0.786 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.385 -1.399 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.384 0.743 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 77 18.845 0.784 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 77 18.965 -0.125 0.308 1.00 0.00 H new ATOM 1219 N LEU A 78 18.437 -3.005 0.352 1.00 0.00 N ATOM 1220 CA LEU A 78 17.711 -3.453 1.528 1.00 0.00 C ATOM 1221 C LEU A 78 17.353 -2.243 2.394 1.00 0.00 C ATOM 1222 O LEU A 78 16.292 -2.212 3.016 1.00 0.00 O ATOM 1223 CB LEU A 78 18.508 -4.527 2.272 1.00 0.00 C ATOM 1224 CG LEU A 78 18.190 -5.977 1.900 1.00 0.00 C ATOM 1225 CD1 LEU A 78 18.360 -6.207 0.397 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.028 -6.952 2.728 1.00 0.00 C ATOM 0 H LEU A 78 19.429 -3.242 0.347 1.00 0.00 H new ATOM 0 HA LEU A 78 16.773 -3.927 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.569 -4.352 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.338 -4.402 3.341 1.00 0.00 H new ATOM 0 HG LEU A 78 17.144 -6.170 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.128 -7.245 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.684 -5.550 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.389 -5.990 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.782 -7.975 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.087 -6.769 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.813 -6.808 3.787 1.00 0.00 H new ATOM 1238 N THR A 79 18.259 -1.276 2.405 1.00 0.00 N ATOM 1239 CA THR A 79 18.052 -0.067 3.184 1.00 0.00 C ATOM 1240 C THR A 79 16.747 0.616 2.771 1.00 0.00 C ATOM 1241 O THR A 79 15.903 0.913 3.616 1.00 0.00 O ATOM 1242 CB THR A 79 19.284 0.823 3.011 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.120 0.477 4.113 1.00 0.00 O ATOM 1244 CG2 THR A 79 18.972 2.305 3.231 1.00 0.00 C ATOM 0 H THR A 79 19.137 -1.305 1.887 1.00 0.00 H new ATOM 0 HA THR A 79 17.943 -0.293 4.245 1.00 0.00 H new ATOM 0 HB THR A 79 19.695 0.683 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.944 1.007 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 79 19.881 2.892 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.220 2.629 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.593 2.451 4.242 1.00 0.00 H new ATOM 1252 N GLU A 80 16.621 0.846 1.473 1.00 0.00 N ATOM 1253 CA GLU A 80 15.432 1.488 0.938 1.00 0.00 C ATOM 1254 C GLU A 80 14.183 0.685 1.305 1.00 0.00 C ATOM 1255 O GLU A 80 13.192 1.248 1.767 1.00 0.00 O ATOM 1256 CB GLU A 80 15.542 1.669 -0.578 1.00 0.00 C ATOM 1257 CG GLU A 80 15.561 3.152 -0.953 1.00 0.00 C ATOM 1258 CD GLU A 80 15.585 3.333 -2.472 1.00 0.00 C ATOM 1259 OE1 GLU A 80 14.521 3.388 -3.107 1.00 0.00 O ATOM 1260 OE2 GLU A 80 16.763 3.419 -2.992 1.00 0.00 O ATOM 0 H GLU A 80 17.323 0.599 0.775 1.00 0.00 H new ATOM 0 HA GLU A 80 15.346 2.479 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.450 1.187 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.702 1.177 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.683 3.647 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.435 3.631 -0.512 1.00 0.00 H new ATOM 1268 N LEU A 81 14.272 -0.619 1.087 1.00 0.00 N ATOM 1269 CA LEU A 81 13.162 -1.506 1.390 1.00 0.00 C ATOM 1270 C LEU A 81 12.836 -1.417 2.882 1.00 0.00 C ATOM 1271 O LEU A 81 11.681 -1.566 3.279 1.00 0.00 O ATOM 1272 CB LEU A 81 13.464 -2.927 0.910 1.00 0.00 C ATOM 1273 CG LEU A 81 13.101 -3.235 -0.544 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.180 -4.737 -0.822 1.00 0.00 C ATOM 1275 CD2 LEU A 81 11.731 -2.657 -0.902 1.00 0.00 C ATOM 0 H LEU A 81 15.096 -1.082 0.704 1.00 0.00 H new ATOM 0 HA LEU A 81 12.268 -1.195 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.529 -3.117 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.931 -3.627 1.553 1.00 0.00 H new ATOM 0 HG LEU A 81 13.833 -2.749 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.917 -4.929 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.194 -5.089 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.485 -5.265 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.498 -2.890 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.971 -3.093 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.746 -1.575 -0.768 1.00 0.00 H new ATOM 1287 N LYS A 82 13.874 -1.175 3.668 1.00 0.00 N ATOM 1288 CA LYS A 82 13.713 -1.065 5.108 1.00 0.00 C ATOM 1289 C LYS A 82 12.979 0.237 5.437 1.00 0.00 C ATOM 1290 O LYS A 82 12.209 0.294 6.394 1.00 0.00 O ATOM 1291 CB LYS A 82 15.065 -1.203 5.811 1.00 0.00 C ATOM 1292 CG LYS A 82 14.943 -2.062 7.071 1.00 0.00 C ATOM 1293 CD LYS A 82 15.607 -3.426 6.871 1.00 0.00 C ATOM 1294 CE LYS A 82 15.502 -4.278 8.137 1.00 0.00 C ATOM 1295 NZ LYS A 82 16.102 -5.612 7.916 1.00 0.00 N ATOM 0 H LYS A 82 14.830 -1.052 3.335 1.00 0.00 H new ATOM 0 HA LYS A 82 13.099 -1.882 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.789 -1.651 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.444 -0.216 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.407 -1.548 7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.891 -2.199 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.134 -3.946 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.656 -3.289 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.008 -3.777 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.456 -4.386 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.022 -6.177 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.601 -6.094 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.105 -5.504 7.664 1.00 0.00 H new ATOM 1308 N LYS A 83 13.243 1.249 4.624 1.00 0.00 N ATOM 1309 CA LYS A 83 12.617 2.546 4.816 1.00 0.00 C ATOM 1310 C LYS A 83 11.113 2.423 4.567 1.00 0.00 C ATOM 1311 O LYS A 83 10.307 2.810 5.412 1.00 0.00 O ATOM 1312 CB LYS A 83 13.300 3.604 3.948 1.00 0.00 C ATOM 1313 CG LYS A 83 13.850 4.746 4.805 1.00 0.00 C ATOM 1314 CD LYS A 83 15.019 4.269 5.670 1.00 0.00 C ATOM 1315 CE LYS A 83 15.194 5.164 6.897 1.00 0.00 C ATOM 1316 NZ LYS A 83 16.629 5.321 7.224 1.00 0.00 N ATOM 0 H LYS A 83 13.882 1.197 3.831 1.00 0.00 H new ATOM 0 HA LYS A 83 12.743 2.882 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.111 3.146 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.589 3.999 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.178 5.562 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.059 5.141 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.845 3.241 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.936 4.270 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.749 6.141 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.666 4.732 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.730 5.932 8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.043 4.388 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.124 5.753 6.418 1.00 0.00 H new ATOM 1329 N VAL A 84 10.780 1.883 3.404 1.00 0.00 N ATOM 1330 CA VAL A 84 9.386 1.705 3.034 1.00 0.00 C ATOM 1331 C VAL A 84 8.720 0.742 4.019 1.00 0.00 C ATOM 1332 O VAL A 84 7.591 0.972 4.449 1.00 0.00 O ATOM 1333 CB VAL A 84 9.287 1.236 1.580 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.159 2.099 0.665 1.00 0.00 C ATOM 1335 CG2 VAL A 84 9.657 -0.243 1.455 1.00 0.00 C ATOM 0 H VAL A 84 11.451 1.563 2.706 1.00 0.00 H new ATOM 0 HA VAL A 84 8.851 2.653 3.094 1.00 0.00 H new ATOM 0 HB VAL A 84 8.251 1.350 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.071 1.745 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.829 3.136 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.199 2.031 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.578 -0.551 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.680 -0.393 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.977 -0.841 2.062 1.00 0.00 H new ATOM 1345 N ILE A 85 9.448 -0.315 4.348 1.00 0.00 N ATOM 1346 CA ILE A 85 8.941 -1.313 5.274 1.00 0.00 C ATOM 1347 C ILE A 85 8.663 -0.653 6.626 1.00 0.00 C ATOM 1348 O ILE A 85 7.694 -0.998 7.301 1.00 0.00 O ATOM 1349 CB ILE A 85 9.900 -2.503 5.357 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.666 -3.477 4.201 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.800 -3.194 6.718 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.716 -4.602 4.616 1.00 0.00 C ATOM 0 H ILE A 85 10.385 -0.502 3.990 1.00 0.00 H new ATOM 0 HA ILE A 85 7.995 -1.719 4.916 1.00 0.00 H new ATOM 0 HB ILE A 85 10.919 -2.128 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.250 -2.941 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.618 -3.900 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.492 -4.036 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.054 -2.485 7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.782 -3.554 6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.567 -5.280 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.146 -5.151 5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.758 -4.177 4.914 1.00 0.00 H new ATOM 1364 N ALA A 86 9.529 0.285 6.980 1.00 0.00 N ATOM 1365 CA ALA A 86 9.388 0.996 8.239 1.00 0.00 C ATOM 1366 C ALA A 86 8.293 2.056 8.102 1.00 0.00 C ATOM 1367 O ALA A 86 7.724 2.499 9.098 1.00 0.00 O ATOM 1368 CB ALA A 86 10.737 1.600 8.638 1.00 0.00 C ATOM 0 H ALA A 86 10.331 0.569 6.417 1.00 0.00 H new ATOM 0 HA ALA A 86 9.088 0.313 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.632 2.134 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.473 0.804 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.068 2.293 7.865 1.00 0.00 H new ATOM 1374 N ASP A 87 8.030 2.431 6.859 1.00 0.00 N ATOM 1375 CA ASP A 87 7.013 3.430 6.578 1.00 0.00 C ATOM 1376 C ASP A 87 5.646 2.749 6.489 1.00 0.00 C ATOM 1377 O ASP A 87 4.620 3.370 6.762 1.00 0.00 O ATOM 1378 CB ASP A 87 7.281 4.129 5.244 1.00 0.00 C ATOM 1379 CG ASP A 87 7.323 5.657 5.311 1.00 0.00 C ATOM 1380 OD1 ASP A 87 8.336 6.252 5.705 1.00 0.00 O ATOM 1381 OD2 ASP A 87 6.241 6.249 4.931 1.00 0.00 O ATOM 0 H ASP A 87 8.504 2.061 6.035 1.00 0.00 H new ATOM 0 HA ASP A 87 7.033 4.167 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.232 3.772 4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.509 3.833 4.534 1.00 0.00 H new ATOM 1387 N ILE A 88 5.676 1.481 6.104 1.00 0.00 N ATOM 1388 CA ILE A 88 4.452 0.709 5.975 1.00 0.00 C ATOM 1389 C ILE A 88 4.070 0.136 7.342 1.00 0.00 C ATOM 1390 O ILE A 88 2.976 0.392 7.842 1.00 0.00 O ATOM 1391 CB ILE A 88 4.601 -0.352 4.883 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.260 -0.625 4.198 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.230 -1.630 5.441 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.461 -1.005 2.730 1.00 0.00 C ATOM 0 H ILE A 88 6.529 0.969 5.877 1.00 0.00 H new ATOM 0 HA ILE A 88 3.629 1.349 5.655 1.00 0.00 H new ATOM 0 HB ILE A 88 5.279 0.034 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.739 -1.430 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.627 0.260 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.324 -2.367 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.217 -1.404 5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.598 -2.031 6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.492 -1.194 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.960 -0.189 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.074 -1.904 2.668 1.00 0.00 H new ATOM 1406 N TYR A 89 4.993 -0.630 7.905 1.00 0.00 N ATOM 1407 CA TYR A 89 4.766 -1.242 9.204 1.00 0.00 C ATOM 1408 C TYR A 89 5.835 -2.293 9.509 1.00 0.00 C ATOM 1409 O TYR A 89 6.254 -3.033 8.620 1.00 0.00 O ATOM 1410 CB TYR A 89 3.402 -1.929 9.113 1.00 0.00 C ATOM 1411 CG TYR A 89 3.270 -2.898 7.936 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.934 -4.107 7.960 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.487 -2.561 6.850 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.810 -5.018 6.851 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.363 -3.472 5.742 1.00 0.00 C ATOM 1416 CZ TYR A 89 3.030 -4.656 5.798 1.00 0.00 C ATOM 1417 OH TYR A 89 2.913 -5.517 4.751 1.00 0.00 O ATOM 0 H TYR A 89 5.899 -0.841 7.486 1.00 0.00 H new ATOM 0 HA TYR A 89 4.804 -0.492 9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.218 -2.472 10.040 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.627 -1.166 9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.546 -4.370 8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.968 -1.614 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.325 -5.967 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.754 -3.221 4.886 1.00 0.00 H new ATOM 0 HH TYR A 89 2.624 -6.394 5.079 1.00 0.00 H new ATOM 1427 N PRO A 90 6.255 -2.327 10.801 1.00 0.00 N ATOM 1428 CA PRO A 90 7.267 -3.276 11.235 1.00 0.00 C ATOM 1429 C PRO A 90 6.683 -4.685 11.351 1.00 0.00 C ATOM 1430 O PRO A 90 5.487 -4.848 11.587 1.00 0.00 O ATOM 1431 CB PRO A 90 7.775 -2.731 12.560 1.00 0.00 C ATOM 1432 CG PRO A 90 6.712 -1.759 13.046 1.00 0.00 C ATOM 1433 CD PRO A 90 5.780 -1.467 11.881 1.00 0.00 C ATOM 0 HA PRO A 90 8.085 -3.375 10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.928 -3.535 13.280 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.735 -2.229 12.434 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.157 -2.186 13.881 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.172 -0.839 13.407 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.744 -1.689 12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.819 -0.416 11.596 1.00 0.00 H new ATOM 1441 N GLY A 91 7.555 -5.668 11.181 1.00 0.00 N ATOM 1442 CA GLY A 91 7.141 -7.058 11.265 1.00 0.00 C ATOM 1443 C GLY A 91 6.780 -7.607 9.883 1.00 0.00 C ATOM 1444 O GLY A 91 5.904 -7.069 9.207 1.00 0.00 O ATOM 0 H GLY A 91 8.546 -5.529 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.943 -7.655 11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.282 -7.146 11.931 1.00 0.00 H new ATOM 1448 N GLN A 92 7.474 -8.670 9.504 1.00 0.00 N ATOM 1449 CA GLN A 92 7.237 -9.297 8.215 1.00 0.00 C ATOM 1450 C GLN A 92 6.612 -10.681 8.404 1.00 0.00 C ATOM 1451 O GLN A 92 7.317 -11.654 8.666 1.00 0.00 O ATOM 1452 CB GLN A 92 8.531 -9.387 7.403 1.00 0.00 C ATOM 1453 CG GLN A 92 8.374 -10.351 6.225 1.00 0.00 C ATOM 1454 CD GLN A 92 9.118 -11.662 6.487 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.095 -11.717 7.216 1.00 0.00 O ATOM 1456 NE2 GLN A 92 8.602 -12.712 5.854 1.00 0.00 N ATOM 0 H GLN A 92 8.200 -9.113 10.067 1.00 0.00 H new ATOM 0 HA GLN A 92 6.537 -8.677 7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.803 -8.398 7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.345 -9.722 8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.317 -10.556 6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.757 -9.886 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.782 -12.596 5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.026 -13.633 5.964 1.00 0.00 H new ATOM 1465 N THR A 93 5.295 -10.724 8.264 1.00 0.00 N ATOM 1466 CA THR A 93 4.567 -11.973 8.416 1.00 0.00 C ATOM 1467 C THR A 93 3.289 -11.950 7.575 1.00 0.00 C ATOM 1468 O THR A 93 2.726 -10.886 7.324 1.00 0.00 O ATOM 1469 CB THR A 93 4.309 -12.190 9.908 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.267 -11.270 10.218 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.482 -11.732 10.778 1.00 0.00 C ATOM 0 H THR A 93 4.713 -9.915 8.047 1.00 0.00 H new ATOM 0 HA THR A 93 5.147 -12.818 8.045 1.00 0.00 H new ATOM 0 HB THR A 93 4.111 -13.246 10.092 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.036 -11.345 11.167 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.247 -11.908 11.828 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.377 -12.293 10.507 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.659 -10.668 10.619 1.00 0.00 H new ATOM 1479 N GLN A 94 2.869 -13.138 7.164 1.00 0.00 N ATOM 1480 CA GLN A 94 1.668 -13.268 6.357 1.00 0.00 C ATOM 1481 C GLN A 94 0.575 -12.331 6.876 1.00 0.00 C ATOM 1482 O GLN A 94 0.424 -12.157 8.084 1.00 0.00 O ATOM 1483 CB GLN A 94 1.179 -14.718 6.331 1.00 0.00 C ATOM 1484 CG GLN A 94 1.925 -15.528 5.269 1.00 0.00 C ATOM 1485 CD GLN A 94 2.079 -16.988 5.701 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.621 -17.298 6.750 1.00 0.00 O ATOM 1487 NE2 GLN A 94 1.574 -17.864 4.838 1.00 0.00 N ATOM 0 H GLN A 94 3.339 -14.018 7.375 1.00 0.00 H new ATOM 0 HA GLN A 94 1.909 -12.981 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.326 -15.173 7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.109 -14.741 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.385 -15.480 4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.908 -15.090 5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.134 -17.537 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.627 -18.863 5.036 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.158 -11.751 5.937 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.232 -10.836 6.284 1.00 0.00 C ATOM 1498 C PHE A 95 -2.198 -10.654 5.112 1.00 0.00 C ATOM 1499 O PHE A 95 -2.025 -11.268 4.059 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.584 -9.489 6.609 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.682 -9.091 8.083 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.806 -9.380 8.792 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.355 -8.447 8.684 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.897 -9.011 10.160 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.263 -8.078 10.052 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.861 -8.367 10.761 1.00 0.00 C ATOM 0 H PHE A 95 -0.029 -11.897 4.936 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.798 -11.230 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.467 -9.524 6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.054 -8.715 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.629 -9.890 8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.247 -8.217 8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.789 -9.242 10.723 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.086 -7.568 10.530 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.931 -8.085 11.801 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.194 -9.809 5.332 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.187 -9.538 4.307 1.00 0.00 C ATOM 1518 C TYR A 96 -3.633 -8.588 3.244 1.00 0.00 C ATOM 1519 O TYR A 96 -2.914 -7.643 3.565 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.357 -8.859 5.022 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.668 -9.643 4.954 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.734 -10.923 5.466 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.786 -9.071 4.382 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.969 -11.662 5.401 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.021 -9.809 4.318 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.051 -11.068 4.831 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.217 -11.766 4.770 1.00 0.00 O ATOM 0 H TYR A 96 -3.335 -9.302 6.206 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.482 -10.460 3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.091 -8.706 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.513 -7.872 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.860 -11.371 5.915 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.735 -8.069 3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.034 -12.665 5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.903 -9.373 3.873 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.905 -11.217 4.338 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.990 -8.871 2.000 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.537 -8.053 0.887 1.00 0.00 C ATOM 1539 C VAL A 97 -4.749 -7.578 0.083 1.00 0.00 C ATOM 1540 O VAL A 97 -5.629 -8.372 -0.248 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.527 -8.832 0.042 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.175 -8.066 -1.235 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.270 -9.156 0.851 1.00 0.00 C ATOM 0 H VAL A 97 -4.588 -9.655 1.738 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.020 -7.165 1.251 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.990 -9.775 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.455 -8.641 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.078 -7.909 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.741 -7.101 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.569 -9.710 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.804 -8.229 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.540 -9.760 1.717 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.757 -6.285 -0.208 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.846 -5.695 -0.967 1.00 0.00 C ATOM 1555 C ILE A 98 -5.276 -4.961 -2.182 1.00 0.00 C ATOM 1556 O ILE A 98 -4.460 -4.053 -2.036 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.711 -4.812 -0.065 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.797 -5.391 1.349 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.095 -4.591 -0.678 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.395 -6.799 1.331 1.00 0.00 C ATOM 0 H ILE A 98 -4.026 -5.630 0.069 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.511 -6.471 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.234 -3.835 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.803 -5.420 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.408 -4.741 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.689 -3.960 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.990 -4.103 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.593 -5.552 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.444 -7.186 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.399 -6.763 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.769 -7.453 0.724 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.729 -5.382 -3.354 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.275 -4.776 -4.593 1.00 0.00 C ATOM 1574 C GLU A 99 -6.283 -3.730 -5.074 1.00 0.00 C ATOM 1575 O GLU A 99 -7.487 -3.890 -4.883 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.034 -5.839 -5.667 1.00 0.00 C ATOM 1577 CG GLU A 99 -3.881 -5.436 -6.589 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.396 -5.064 -7.981 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.606 -5.950 -8.822 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.578 -3.802 -8.175 1.00 0.00 O ATOM 0 H GLU A 99 -6.406 -6.136 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.325 -4.276 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.809 -6.795 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.941 -5.980 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.344 -4.591 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.170 -6.258 -6.668 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.753 -2.682 -5.687 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.591 -1.609 -6.195 1.00 0.00 C ATOM 1590 C PHE A 100 -5.973 -0.976 -7.443 1.00 0.00 C ATOM 1591 O PHE A 100 -4.797 -1.188 -7.735 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.682 -0.552 -5.093 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.341 -0.218 -4.438 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.344 0.340 -5.176 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.145 -0.479 -3.118 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.098 0.650 -4.568 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.899 -0.170 -2.510 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.903 0.388 -3.248 1.00 0.00 C ATOM 0 H PHE A 100 -4.753 -2.553 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.572 -1.999 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.107 0.360 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.373 -0.901 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.500 0.547 -6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.937 -0.921 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.306 1.093 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.743 -0.378 -1.462 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.956 0.623 -2.785 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.794 -0.211 -8.147 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.344 0.455 -9.358 1.00 0.00 C ATOM 1610 C LYS A 101 -6.850 1.899 -9.359 1.00 0.00 C ATOM 1611 O LYS A 101 -7.847 2.212 -8.710 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.759 -0.343 -10.595 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.234 -0.109 -10.930 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.556 -0.582 -12.349 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.905 -0.032 -12.816 1.00 0.00 C ATOM 1616 NZ LYS A 101 -9.776 0.586 -14.155 1.00 0.00 N ATOM 0 H LYS A 101 -7.769 -0.037 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.255 0.498 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.139 -0.053 -11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.586 -1.405 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.862 -0.640 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.469 0.951 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.771 -0.257 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.573 -1.671 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.641 -0.836 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.271 0.706 -12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.700 0.954 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.089 1.366 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.448 -0.128 -14.837 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.140 2.741 -10.096 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.504 4.144 -10.190 1.00 0.00 C ATOM 1631 C CYS A 102 -7.441 4.317 -11.388 1.00 0.00 C ATOM 1632 O CYS A 102 -7.096 3.946 -12.509 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.271 5.043 -10.295 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.762 6.717 -10.849 1.00 0.00 S ATOM 0 H CYS A 102 -5.314 2.478 -10.634 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.019 4.451 -9.279 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.771 5.103 -9.328 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.556 4.614 -10.997 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.708 7.473 -10.933 1.00 0.00 H new ATOM 1640 N LEU A 103 -8.607 4.882 -11.110 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.595 5.109 -12.151 1.00 0.00 C ATOM 1642 C LEU A 103 -10.112 6.546 -12.052 1.00 0.00 C ATOM 1643 O LEU A 103 -11.076 6.910 -12.723 1.00 0.00 O ATOM 1644 CB LEU A 103 -10.699 4.052 -12.081 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.240 3.739 -10.684 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.273 4.781 -10.250 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.800 2.316 -10.620 1.00 0.00 C ATOM 0 H LEU A 103 -8.889 5.189 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.143 4.999 -13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.530 4.381 -12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.319 3.128 -12.517 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.412 3.792 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.641 4.535 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.809 5.767 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.105 4.784 -10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.178 2.119 -9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.611 2.211 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.010 1.603 -10.857 1.00 0.00 H new TER 1659 LEU A 103