USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.896 K(o=-0.9,f=-6.1!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.144 (180deg=-0.763) USER MOD Single : A 18 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 20 HIS : no HD1:sc= -4.19 K(o=-4.2,f=-6.5!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 170:sc= 0.211 USER MOD Single : A 35 SER OG : rot -130:sc= -1.37 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0774 F(o=-0.92,f=-0.077) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0913 (180deg=-0.534) USER MOD Single : A 56 THR OG1 : rot 68:sc= 1.02 USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -2.25! (180deg=-5.64!) USER MOD Single : A 60 CYS SG : rot -170:sc= -0.646 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 67 THR OG1 : rot 175:sc= -1.92 USER MOD Single : A 69 SER OG : rot -68:sc= 0.627 USER MOD Single : A 73 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-2.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.533 K(o=-0.53,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.494 -12.200 18.678 1.00 0.00 N ATOM 2 CA GLY A 1 -15.308 -11.539 19.735 1.00 0.00 C ATOM 3 C GLY A 1 -15.797 -10.165 19.317 1.00 0.00 C ATOM 4 O GLY A 1 -15.373 -9.153 19.874 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.184 -13.135 19.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.067 -12.312 17.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.661 -11.615 18.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.165 -12.168 19.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.713 -11.449 20.644 1.00 0.00 H new ATOM 10 N SER A 2 -16.692 -10.131 18.335 1.00 0.00 N ATOM 11 CA SER A 2 -17.239 -8.872 17.842 1.00 0.00 C ATOM 12 C SER A 2 -18.760 -8.940 17.750 1.00 0.00 C ATOM 13 O SER A 2 -19.467 -8.228 18.463 1.00 0.00 O ATOM 14 CB SER A 2 -16.648 -8.537 16.473 1.00 0.00 C ATOM 15 OG SER A 2 -15.231 -8.559 16.508 1.00 0.00 O ATOM 0 H SER A 2 -17.054 -10.961 17.865 1.00 0.00 H new ATOM 0 HA SER A 2 -16.970 -8.086 18.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.007 -9.253 15.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.992 -7.552 16.157 1.00 0.00 H new ATOM 0 HG SER A 2 -14.878 -8.343 15.619 1.00 0.00 H new ATOM 21 N MET A 3 -19.255 -9.802 16.867 1.00 0.00 N ATOM 22 CA MET A 3 -20.692 -9.969 16.675 1.00 0.00 C ATOM 23 C MET A 3 -21.316 -8.706 16.088 1.00 0.00 C ATOM 24 O MET A 3 -21.677 -8.671 14.912 1.00 0.00 O ATOM 25 CB MET A 3 -21.372 -10.328 18.000 1.00 0.00 C ATOM 26 CG MET A 3 -20.712 -11.487 18.727 1.00 0.00 C ATOM 27 SD MET A 3 -21.183 -11.574 20.466 1.00 0.00 S ATOM 28 CE MET A 3 -19.615 -11.228 21.262 1.00 0.00 C ATOM 0 H MET A 3 -18.680 -10.398 16.271 1.00 0.00 H new ATOM 0 HA MET A 3 -20.844 -10.785 15.969 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.368 -9.453 18.650 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.415 -10.577 17.808 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.982 -12.421 18.234 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.629 -11.388 18.652 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.744 -11.247 22.344 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.885 -11.983 20.971 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.261 -10.244 20.956 1.00 0.00 H new ATOM 38 N ILE A 4 -21.441 -7.670 16.913 1.00 0.00 N ATOM 39 CA ILE A 4 -22.023 -6.408 16.470 1.00 0.00 C ATOM 40 C ILE A 4 -21.174 -5.209 16.900 1.00 0.00 C ATOM 41 O ILE A 4 -21.497 -4.066 16.577 1.00 0.00 O ATOM 42 CB ILE A 4 -23.457 -6.234 17.013 1.00 0.00 C ATOM 43 CG1 ILE A 4 -24.094 -4.962 16.448 1.00 0.00 C ATOM 44 CG2 ILE A 4 -23.453 -6.199 18.534 1.00 0.00 C ATOM 45 CD1 ILE A 4 -25.598 -4.914 16.614 1.00 0.00 C ATOM 0 H ILE A 4 -21.148 -7.680 17.890 1.00 0.00 H new ATOM 0 HA ILE A 4 -22.051 -6.444 15.381 1.00 0.00 H new ATOM 0 HB ILE A 4 -24.052 -7.089 16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -23.654 -4.095 16.941 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.851 -4.883 15.388 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.473 -6.076 18.898 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -23.041 -7.132 18.918 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -22.842 -5.364 18.877 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.981 -3.985 16.191 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -26.048 -5.761 16.097 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -25.849 -4.961 17.674 1.00 0.00 H new ATOM 57 N HIS A 5 -20.088 -5.468 17.628 1.00 0.00 N ATOM 58 CA HIS A 5 -19.210 -4.400 18.091 1.00 0.00 C ATOM 59 C HIS A 5 -17.973 -4.285 17.206 1.00 0.00 C ATOM 60 O HIS A 5 -17.790 -5.068 16.274 1.00 0.00 O ATOM 61 CB HIS A 5 -18.789 -4.650 19.539 1.00 0.00 C ATOM 62 CG HIS A 5 -19.932 -5.003 20.438 1.00 0.00 C ATOM 63 ND1 HIS A 5 -20.720 -4.060 21.060 1.00 0.00 N ATOM 64 CD2 HIS A 5 -20.423 -6.208 20.816 1.00 0.00 C ATOM 65 CE1 HIS A 5 -21.646 -4.664 21.780 1.00 0.00 C ATOM 66 NE2 HIS A 5 -21.487 -5.969 21.649 1.00 0.00 N ATOM 0 H HIS A 5 -19.798 -6.405 17.908 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.763 -3.463 18.034 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.056 -5.456 19.562 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -18.295 -3.758 19.925 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.047 -7.176 20.518 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.404 -4.175 22.374 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -22.062 -6.684 22.095 1.00 0.00 H new ATOM 74 N ARG A 6 -17.128 -3.304 17.506 1.00 0.00 N ATOM 75 CA ARG A 6 -15.908 -3.085 16.739 1.00 0.00 C ATOM 76 C ARG A 6 -14.693 -3.003 17.658 1.00 0.00 C ATOM 77 O ARG A 6 -14.640 -2.167 18.560 1.00 0.00 O ATOM 78 CB ARG A 6 -16.024 -1.804 15.910 1.00 0.00 C ATOM 79 CG ARG A 6 -16.274 -2.057 14.430 1.00 0.00 C ATOM 80 CD ARG A 6 -17.723 -1.791 14.050 1.00 0.00 C ATOM 81 NE ARG A 6 -18.471 -3.030 13.845 1.00 0.00 N ATOM 82 CZ ARG A 6 -19.479 -3.160 12.983 1.00 0.00 C ATOM 83 NH1 ARG A 6 -19.876 -2.128 12.248 1.00 0.00 N ATOM 84 NH2 ARG A 6 -20.094 -4.328 12.856 1.00 0.00 N ATOM 0 H ARG A 6 -17.266 -2.648 18.275 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.775 -3.933 16.067 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.836 -1.196 16.308 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.107 -1.225 16.021 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.619 -1.419 13.836 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.018 -3.089 14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.202 -1.204 14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.755 -1.193 13.139 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.205 -3.846 14.396 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.409 -1.226 12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.648 -2.237 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.795 -5.125 13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.866 -4.429 12.197 1.00 0.00 H new ATOM 98 N MET A 7 -13.716 -3.873 17.419 1.00 0.00 N ATOM 99 CA MET A 7 -12.498 -3.898 18.220 1.00 0.00 C ATOM 100 C MET A 7 -11.264 -3.923 17.325 1.00 0.00 C ATOM 101 O MET A 7 -10.227 -4.479 17.692 1.00 0.00 O ATOM 102 CB MET A 7 -12.495 -5.115 19.148 1.00 0.00 C ATOM 103 CG MET A 7 -11.715 -4.897 20.434 1.00 0.00 C ATOM 104 SD MET A 7 -11.695 -6.359 21.490 1.00 0.00 S ATOM 105 CE MET A 7 -11.597 -5.607 23.113 1.00 0.00 C ATOM 0 H MET A 7 -13.745 -4.571 16.676 1.00 0.00 H new ATOM 0 HA MET A 7 -12.471 -2.992 18.825 1.00 0.00 H new ATOM 0 HB2 MET A 7 -13.524 -5.375 19.397 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.071 -5.966 18.616 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.691 -4.616 20.190 1.00 0.00 H new ATOM 0 HG3 MET A 7 -12.152 -4.063 20.983 1.00 0.00 H new ATOM 0 HE1 MET A 7 -11.576 -6.387 23.875 1.00 0.00 H new ATOM 0 HE2 MET A 7 -10.689 -5.008 23.182 1.00 0.00 H new ATOM 0 HE3 MET A 7 -12.466 -4.968 23.271 1.00 0.00 H new ATOM 115 N SER A 8 -11.383 -3.317 16.148 1.00 0.00 N ATOM 116 CA SER A 8 -10.281 -3.265 15.196 1.00 0.00 C ATOM 117 C SER A 8 -10.636 -2.378 14.009 1.00 0.00 C ATOM 118 O SER A 8 -11.752 -1.864 13.919 1.00 0.00 O ATOM 119 CB SER A 8 -9.928 -4.672 14.711 1.00 0.00 C ATOM 120 OG SER A 8 -11.076 -5.502 14.672 1.00 0.00 O ATOM 0 H SER A 8 -12.235 -2.854 15.831 1.00 0.00 H new ATOM 0 HA SER A 8 -9.415 -2.838 15.702 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.482 -4.616 13.718 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.181 -5.111 15.372 1.00 0.00 H new ATOM 0 HG SER A 8 -10.823 -6.395 14.357 1.00 0.00 H new ATOM 126 N ASN A 9 -9.685 -2.199 13.100 1.00 0.00 N ATOM 127 CA ASN A 9 -9.904 -1.370 11.921 1.00 0.00 C ATOM 128 C ASN A 9 -9.395 -2.063 10.662 1.00 0.00 C ATOM 129 O ASN A 9 -8.215 -2.395 10.556 1.00 0.00 O ATOM 130 CB ASN A 9 -9.209 -0.019 12.088 1.00 0.00 C ATOM 131 CG ASN A 9 -9.906 0.865 13.103 1.00 0.00 C ATOM 132 OD1 ASN A 9 -10.277 0.414 14.186 1.00 0.00 O ATOM 133 ND2 ASN A 9 -10.086 2.134 12.756 1.00 0.00 N ATOM 0 H ASN A 9 -8.756 -2.616 13.156 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.977 -1.211 11.816 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.176 -0.180 12.398 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.177 0.492 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.548 2.778 13.398 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.762 2.465 11.847 1.00 0.00 H new ATOM 140 N MET A 10 -10.295 -2.275 9.707 1.00 0.00 N ATOM 141 CA MET A 10 -9.937 -2.926 8.453 1.00 0.00 C ATOM 142 C MET A 10 -9.243 -1.945 7.514 1.00 0.00 C ATOM 143 O MET A 10 -9.876 -1.050 6.955 1.00 0.00 O ATOM 144 CB MET A 10 -11.182 -3.506 7.778 1.00 0.00 C ATOM 145 CG MET A 10 -11.755 -4.715 8.499 1.00 0.00 C ATOM 146 SD MET A 10 -13.543 -4.618 8.714 1.00 0.00 S ATOM 147 CE MET A 10 -14.086 -5.905 7.593 1.00 0.00 C ATOM 0 H MET A 10 -11.276 -2.006 9.778 1.00 0.00 H new ATOM 0 HA MET A 10 -9.246 -3.739 8.678 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.947 -2.732 7.719 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.933 -3.787 6.755 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.510 -5.617 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.281 -4.808 9.476 1.00 0.00 H new ATOM 0 HE1 MET A 10 -15.174 -5.969 7.613 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.755 -5.670 6.582 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.660 -6.860 7.902 1.00 0.00 H new ATOM 157 N ALA A 11 -7.938 -2.121 7.345 1.00 0.00 N ATOM 158 CA ALA A 11 -7.157 -1.255 6.472 1.00 0.00 C ATOM 159 C ALA A 11 -7.556 -1.445 5.014 1.00 0.00 C ATOM 160 O ALA A 11 -7.121 -2.396 4.364 1.00 0.00 O ATOM 161 CB ALA A 11 -5.673 -1.529 6.649 1.00 0.00 C ATOM 0 H ALA A 11 -7.398 -2.856 7.802 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.362 -0.221 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.101 -0.875 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.389 -1.340 7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.463 -2.569 6.399 1.00 0.00 H new ATOM 167 N THR A 12 -8.383 -0.539 4.502 1.00 0.00 N ATOM 168 CA THR A 12 -8.832 -0.618 3.117 1.00 0.00 C ATOM 169 C THR A 12 -8.842 0.759 2.462 1.00 0.00 C ATOM 170 O THR A 12 -9.516 1.678 2.928 1.00 0.00 O ATOM 171 CB THR A 12 -10.227 -1.243 3.038 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.859 -1.228 4.306 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.210 -2.675 2.548 1.00 0.00 C ATOM 0 H THR A 12 -8.754 0.255 5.023 1.00 0.00 H new ATOM 0 HA THR A 12 -8.128 -1.251 2.576 1.00 0.00 H new ATOM 0 HB THR A 12 -10.777 -0.635 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.749 -1.631 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.229 -3.060 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.775 -2.713 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.614 -3.285 3.227 1.00 0.00 H new ATOM 181 N PHE A 13 -8.090 0.890 1.378 1.00 0.00 N ATOM 182 CA PHE A 13 -8.002 2.148 0.642 1.00 0.00 C ATOM 183 C PHE A 13 -8.917 2.130 -0.582 1.00 0.00 C ATOM 184 O PHE A 13 -9.248 1.065 -1.105 1.00 0.00 O ATOM 185 CB PHE A 13 -6.557 2.392 0.214 1.00 0.00 C ATOM 186 CG PHE A 13 -6.343 3.682 -0.524 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.719 4.895 0.030 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.750 3.675 -1.771 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.505 6.079 -0.654 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.534 4.850 -2.461 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.910 6.056 -1.902 1.00 0.00 C ATOM 0 H PHE A 13 -7.527 0.136 0.985 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.328 2.957 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.921 2.383 1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.233 1.566 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.183 4.917 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.451 2.736 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.802 7.019 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.072 4.827 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.740 6.978 -2.438 1.00 0.00 H new ATOM 201 N SER A 14 -9.326 3.314 -1.035 1.00 0.00 N ATOM 202 CA SER A 14 -10.204 3.429 -2.196 1.00 0.00 C ATOM 203 C SER A 14 -9.443 3.942 -3.418 1.00 0.00 C ATOM 204 O SER A 14 -8.494 4.716 -3.290 1.00 0.00 O ATOM 205 CB SER A 14 -11.373 4.366 -1.882 1.00 0.00 C ATOM 206 OG SER A 14 -11.827 4.189 -0.552 1.00 0.00 O ATOM 0 H SER A 14 -9.063 4.206 -0.616 1.00 0.00 H new ATOM 0 HA SER A 14 -10.588 2.435 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.063 5.401 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.191 4.177 -2.577 1.00 0.00 H new ATOM 0 HG SER A 14 -12.573 4.800 -0.377 1.00 0.00 H new ATOM 212 N LEU A 15 -9.870 3.510 -4.602 1.00 0.00 N ATOM 213 CA LEU A 15 -9.237 3.929 -5.850 1.00 0.00 C ATOM 214 C LEU A 15 -10.225 4.690 -6.732 1.00 0.00 C ATOM 215 O LEU A 15 -9.835 5.555 -7.516 1.00 0.00 O ATOM 216 CB LEU A 15 -8.687 2.715 -6.606 1.00 0.00 C ATOM 217 CG LEU A 15 -7.173 2.516 -6.496 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.754 1.211 -7.159 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.436 3.696 -7.116 1.00 0.00 C ATOM 0 H LEU A 15 -10.654 2.868 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.410 4.595 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.184 1.819 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.950 2.812 -7.659 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.908 2.461 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.675 1.088 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.256 0.377 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.031 1.233 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.361 3.539 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.707 3.782 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.712 4.612 -6.594 1.00 0.00 H new ATOM 231 N GLY A 16 -11.507 4.365 -6.589 1.00 0.00 N ATOM 232 CA GLY A 16 -12.538 5.028 -7.368 1.00 0.00 C ATOM 233 C GLY A 16 -12.516 4.637 -8.834 1.00 0.00 C ATOM 234 O GLY A 16 -12.713 5.482 -9.707 1.00 0.00 O ATOM 0 H GLY A 16 -11.851 3.652 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.515 4.787 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.412 6.107 -7.283 1.00 0.00 H new ATOM 238 N LYS A 17 -12.282 3.358 -9.108 1.00 0.00 N ATOM 239 CA LYS A 17 -12.241 2.865 -10.482 1.00 0.00 C ATOM 240 C LYS A 17 -11.199 3.625 -11.301 1.00 0.00 C ATOM 241 O LYS A 17 -11.538 4.390 -12.205 1.00 0.00 O ATOM 242 CB LYS A 17 -13.621 3.000 -11.130 1.00 0.00 C ATOM 243 CG LYS A 17 -14.026 1.794 -11.964 1.00 0.00 C ATOM 244 CD LYS A 17 -15.437 1.945 -12.515 1.00 0.00 C ATOM 245 CE LYS A 17 -16.347 0.823 -12.039 1.00 0.00 C ATOM 246 NZ LYS A 17 -16.335 0.685 -10.556 1.00 0.00 N ATOM 0 H LYS A 17 -12.118 2.644 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.959 1.812 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.365 3.157 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.630 3.888 -11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.324 1.668 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.967 0.892 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.849 2.905 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.404 1.950 -13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.365 1.014 -12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.032 -0.117 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.262 0.341 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.597 0.007 -10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.138 1.610 -10.123 1.00 0.00 H new ATOM 260 N HIS A 18 -9.929 3.413 -10.973 1.00 0.00 N ATOM 261 CA HIS A 18 -8.833 4.080 -11.669 1.00 0.00 C ATOM 262 C HIS A 18 -7.966 3.068 -12.417 1.00 0.00 C ATOM 263 O HIS A 18 -8.126 1.862 -12.239 1.00 0.00 O ATOM 264 CB HIS A 18 -7.985 4.862 -10.666 1.00 0.00 C ATOM 265 CG HIS A 18 -8.356 6.309 -10.581 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.541 6.972 -9.386 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.586 7.222 -11.554 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.870 8.228 -9.626 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.902 8.405 -10.934 1.00 0.00 N ATOM 0 H HIS A 18 -9.632 2.783 -10.228 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.255 4.770 -12.400 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.090 4.408 -9.680 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.935 4.779 -10.945 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -8.439 6.556 -8.460 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.531 7.051 -12.619 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.077 8.981 -8.880 1.00 0.00 H new ATOM 277 N PRO A 19 -7.038 3.541 -13.273 1.00 0.00 N ATOM 278 CA PRO A 19 -6.155 2.657 -14.043 1.00 0.00 C ATOM 279 C PRO A 19 -5.209 1.861 -13.150 1.00 0.00 C ATOM 280 O PRO A 19 -5.129 0.637 -13.257 1.00 0.00 O ATOM 281 CB PRO A 19 -5.366 3.614 -14.941 1.00 0.00 C ATOM 282 CG PRO A 19 -5.448 4.938 -14.262 1.00 0.00 C ATOM 283 CD PRO A 19 -6.780 4.965 -13.566 1.00 0.00 C ATOM 0 HA PRO A 19 -6.721 1.909 -14.598 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.331 3.290 -15.050 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.793 3.657 -15.943 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.633 5.062 -13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.368 5.752 -14.983 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.746 5.563 -12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.557 5.393 -14.200 1.00 0.00 H new ATOM 291 N HIS A 20 -4.503 2.563 -12.263 1.00 0.00 N ATOM 292 CA HIS A 20 -3.568 1.930 -11.339 1.00 0.00 C ATOM 293 C HIS A 20 -2.872 2.985 -10.483 1.00 0.00 C ATOM 294 O HIS A 20 -3.145 4.178 -10.615 1.00 0.00 O ATOM 295 CB HIS A 20 -2.559 1.063 -12.099 1.00 0.00 C ATOM 296 CG HIS A 20 -1.405 1.822 -12.646 1.00 0.00 C ATOM 297 ND1 HIS A 20 -0.356 2.232 -11.866 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.131 2.247 -13.902 1.00 0.00 C ATOM 299 CE1 HIS A 20 0.515 2.877 -12.606 1.00 0.00 C ATOM 300 NE2 HIS A 20 0.072 2.902 -13.849 1.00 0.00 N ATOM 0 H HIS A 20 -4.563 3.577 -12.167 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.125 1.273 -10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.187 0.286 -11.431 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.072 0.560 -12.919 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.744 2.098 -14.779 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.439 3.314 -12.257 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.547 3.337 -14.640 1.00 0.00 H new ATOM 308 N VAL A 21 -1.985 2.546 -9.597 1.00 0.00 N ATOM 309 CA VAL A 21 -1.278 3.478 -8.720 1.00 0.00 C ATOM 310 C VAL A 21 0.175 3.083 -8.491 1.00 0.00 C ATOM 311 O VAL A 21 0.563 1.933 -8.690 1.00 0.00 O ATOM 312 CB VAL A 21 -1.965 3.586 -7.349 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.228 4.427 -7.446 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.274 2.200 -6.804 1.00 0.00 C ATOM 0 H VAL A 21 -1.739 1.565 -9.466 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.305 4.439 -9.234 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.285 4.082 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.699 4.491 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.973 5.429 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.919 3.965 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.760 2.291 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.936 1.677 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.347 1.637 -6.694 1.00 0.00 H new ATOM 324 N GLU A 22 0.966 4.056 -8.049 1.00 0.00 N ATOM 325 CA GLU A 22 2.376 3.843 -7.761 1.00 0.00 C ATOM 326 C GLU A 22 2.582 3.636 -6.265 1.00 0.00 C ATOM 327 O GLU A 22 1.890 4.244 -5.450 1.00 0.00 O ATOM 328 CB GLU A 22 3.193 5.048 -8.234 1.00 0.00 C ATOM 329 CG GLU A 22 3.886 4.832 -9.568 1.00 0.00 C ATOM 330 CD GLU A 22 4.243 6.136 -10.256 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.189 7.192 -9.593 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.579 6.099 -11.459 1.00 0.00 O ATOM 0 H GLU A 22 0.647 5.010 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 22 2.712 2.952 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.535 5.913 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.943 5.286 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.793 4.247 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.237 4.247 -10.220 1.00 0.00 H new ATOM 339 N LEU A 23 3.528 2.770 -5.907 1.00 0.00 N ATOM 340 CA LEU A 23 3.818 2.478 -4.501 1.00 0.00 C ATOM 341 C LEU A 23 3.759 3.741 -3.641 1.00 0.00 C ATOM 342 O LEU A 23 3.290 3.700 -2.506 1.00 0.00 O ATOM 343 CB LEU A 23 5.192 1.815 -4.354 1.00 0.00 C ATOM 344 CG LEU A 23 6.274 2.330 -5.305 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.883 3.622 -4.781 1.00 0.00 C ATOM 346 CD2 LEU A 23 7.349 1.272 -5.506 1.00 0.00 C ATOM 0 H LEU A 23 4.108 2.257 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 23 3.050 1.788 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.536 1.955 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.077 0.742 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 23 5.812 2.541 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.650 3.970 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.105 4.380 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.331 3.443 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.112 1.653 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.805 1.030 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.901 0.374 -5.931 1.00 0.00 H new ATOM 358 N CYS A 24 4.234 4.858 -4.184 1.00 0.00 N ATOM 359 CA CYS A 24 4.230 6.123 -3.454 1.00 0.00 C ATOM 360 C CYS A 24 2.819 6.700 -3.357 1.00 0.00 C ATOM 361 O CYS A 24 2.430 7.233 -2.318 1.00 0.00 O ATOM 362 CB CYS A 24 5.156 7.132 -4.134 1.00 0.00 C ATOM 363 SG CYS A 24 5.356 8.680 -3.221 1.00 0.00 S ATOM 0 H CYS A 24 4.626 4.914 -5.124 1.00 0.00 H new ATOM 0 HA CYS A 24 4.591 5.927 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.136 6.675 -4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.766 7.356 -5.127 1.00 0.00 H new ATOM 0 HG CYS A 24 6.158 9.468 -3.874 1.00 0.00 H new ATOM 369 N ASP A 25 2.055 6.584 -4.439 1.00 0.00 N ATOM 370 CA ASP A 25 0.686 7.091 -4.462 1.00 0.00 C ATOM 371 C ASP A 25 -0.167 6.358 -3.438 1.00 0.00 C ATOM 372 O ASP A 25 -0.759 6.970 -2.550 1.00 0.00 O ATOM 373 CB ASP A 25 0.073 6.923 -5.856 1.00 0.00 C ATOM 374 CG ASP A 25 0.966 7.469 -6.953 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.953 8.163 -6.628 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.677 7.204 -8.139 1.00 0.00 O ATOM 0 H ASP A 25 2.359 6.145 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 25 0.712 8.152 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.118 5.866 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.890 7.432 -5.889 1.00 0.00 H new ATOM 381 N LEU A 26 -0.221 5.041 -3.576 1.00 0.00 N ATOM 382 CA LEU A 26 -0.996 4.202 -2.673 1.00 0.00 C ATOM 383 C LEU A 26 -0.590 4.429 -1.223 1.00 0.00 C ATOM 384 O LEU A 26 -1.437 4.558 -0.341 1.00 0.00 O ATOM 385 CB LEU A 26 -0.795 2.730 -3.032 1.00 0.00 C ATOM 386 CG LEU A 26 -1.888 1.794 -2.529 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.168 2.015 -3.311 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.441 0.348 -2.630 1.00 0.00 C ATOM 0 H LEU A 26 0.266 4.527 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.047 4.471 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.730 2.641 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.162 2.399 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.081 2.017 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.941 1.341 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.497 3.047 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.988 1.817 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.235 -0.304 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.221 0.107 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.545 0.201 -2.026 1.00 0.00 H new ATOM 400 N LEU A 27 0.714 4.457 -0.987 1.00 0.00 N ATOM 401 CA LEU A 27 1.256 4.645 0.353 1.00 0.00 C ATOM 402 C LEU A 27 0.954 6.036 0.898 1.00 0.00 C ATOM 403 O LEU A 27 0.311 6.179 1.937 1.00 0.00 O ATOM 404 CB LEU A 27 2.766 4.405 0.331 1.00 0.00 C ATOM 405 CG LEU A 27 3.190 2.951 0.553 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.261 2.001 -0.196 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.633 2.745 0.119 1.00 0.00 C ATOM 0 H LEU A 27 1.423 4.351 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 27 0.776 3.925 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.159 4.740 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.229 5.025 1.099 1.00 0.00 H new ATOM 0 HG LEU A 27 3.117 2.730 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.579 0.972 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.241 2.130 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.299 2.221 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.918 1.706 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.732 2.985 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.285 3.396 0.701 1.00 0.00 H new ATOM 419 N LYS A 28 1.431 7.057 0.199 1.00 0.00 N ATOM 420 CA LYS A 28 1.221 8.438 0.619 1.00 0.00 C ATOM 421 C LYS A 28 -0.247 8.705 0.947 1.00 0.00 C ATOM 422 O LYS A 28 -0.578 9.157 2.044 1.00 0.00 O ATOM 423 CB LYS A 28 1.692 9.394 -0.477 1.00 0.00 C ATOM 424 CG LYS A 28 1.739 10.848 -0.037 1.00 0.00 C ATOM 425 CD LYS A 28 1.584 11.788 -1.221 1.00 0.00 C ATOM 426 CE LYS A 28 0.153 11.804 -1.734 1.00 0.00 C ATOM 427 NZ LYS A 28 0.093 11.926 -3.217 1.00 0.00 N ATOM 0 H LYS A 28 1.967 6.956 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 28 1.804 8.606 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.685 9.091 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.027 9.304 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.946 11.037 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.685 11.047 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.878 12.796 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.256 11.480 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.353 10.890 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.386 12.636 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.900 11.933 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.553 12.811 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.584 11.119 -3.652 1.00 0.00 H new ATOM 441 N LEU A 29 -1.119 8.438 -0.018 1.00 0.00 N ATOM 442 CA LEU A 29 -2.551 8.662 0.153 1.00 0.00 C ATOM 443 C LEU A 29 -3.109 7.915 1.364 1.00 0.00 C ATOM 444 O LEU A 29 -3.979 8.429 2.068 1.00 0.00 O ATOM 445 CB LEU A 29 -3.307 8.246 -1.113 1.00 0.00 C ATOM 446 CG LEU A 29 -4.235 9.317 -1.692 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.359 9.163 -3.200 1.00 0.00 C ATOM 448 CD2 LEU A 29 -5.605 9.250 -1.031 1.00 0.00 C ATOM 0 H LEU A 29 -0.859 8.065 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.694 9.728 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.581 7.964 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.897 7.357 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.801 10.295 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.023 9.934 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.375 9.265 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.768 8.180 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.251 10.018 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.046 8.268 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.500 9.415 0.041 1.00 0.00 H new ATOM 460 N GLU A 30 -2.626 6.698 1.598 1.00 0.00 N ATOM 461 CA GLU A 30 -3.108 5.894 2.719 1.00 0.00 C ATOM 462 C GLU A 30 -2.469 6.307 4.044 1.00 0.00 C ATOM 463 O GLU A 30 -2.913 5.875 5.109 1.00 0.00 O ATOM 464 CB GLU A 30 -2.850 4.411 2.466 1.00 0.00 C ATOM 465 CG GLU A 30 -4.094 3.642 2.058 1.00 0.00 C ATOM 466 CD GLU A 30 -5.172 3.676 3.124 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.826 3.589 4.321 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.362 3.793 2.763 1.00 0.00 O ATOM 0 H GLU A 30 -1.907 6.249 1.032 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.181 6.071 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.097 4.309 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.435 3.963 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.489 4.061 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.825 2.606 1.850 1.00 0.00 H new ATOM 475 N GLY A 31 -1.437 7.142 3.987 1.00 0.00 N ATOM 476 CA GLY A 31 -0.786 7.583 5.205 1.00 0.00 C ATOM 477 C GLY A 31 0.427 6.748 5.569 1.00 0.00 C ATOM 478 O GLY A 31 0.823 6.699 6.734 1.00 0.00 O ATOM 0 H GLY A 31 -1.042 7.519 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.482 8.624 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.503 7.548 6.026 1.00 0.00 H new ATOM 482 N TRP A 32 1.031 6.099 4.575 1.00 0.00 N ATOM 483 CA TRP A 32 2.215 5.281 4.818 1.00 0.00 C ATOM 484 C TRP A 32 3.432 6.181 5.014 1.00 0.00 C ATOM 485 O TRP A 32 4.039 6.196 6.085 1.00 0.00 O ATOM 486 CB TRP A 32 2.463 4.318 3.653 1.00 0.00 C ATOM 487 CG TRP A 32 1.363 3.319 3.447 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.026 3.583 3.364 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.501 1.896 3.289 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.674 2.419 3.166 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.206 1.374 3.117 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.587 1.008 3.276 1.00 0.00 C ATOM 493 CZ2 TRP A 32 -0.034 0.019 2.935 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.336 -0.342 3.094 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.035 -0.820 2.926 1.00 0.00 C ATOM 0 H TRP A 32 0.723 6.124 3.603 1.00 0.00 H new ATOM 0 HA TRP A 32 2.048 4.692 5.720 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.592 4.896 2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.397 3.784 3.828 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.417 4.565 3.443 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.687 2.346 3.071 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.597 1.369 3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.038 -0.356 2.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.162 -1.038 3.082 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.875 -1.879 2.786 1.00 0.00 H new ATOM 506 N SER A 33 3.774 6.939 3.975 1.00 0.00 N ATOM 507 CA SER A 33 4.906 7.853 4.033 1.00 0.00 C ATOM 508 C SER A 33 4.419 9.294 4.128 1.00 0.00 C ATOM 509 O SER A 33 3.462 9.677 3.454 1.00 0.00 O ATOM 510 CB SER A 33 5.791 7.678 2.796 1.00 0.00 C ATOM 511 OG SER A 33 7.068 8.264 2.987 1.00 0.00 O ATOM 0 H SER A 33 3.281 6.936 3.082 1.00 0.00 H new ATOM 0 HA SER A 33 5.493 7.623 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.905 6.617 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.306 8.133 1.932 1.00 0.00 H new ATOM 0 HG SER A 33 7.662 8.000 2.254 1.00 0.00 H new ATOM 517 N GLU A 34 5.073 10.093 4.968 1.00 0.00 N ATOM 518 CA GLU A 34 4.684 11.490 5.134 1.00 0.00 C ATOM 519 C GLU A 34 5.148 12.316 3.941 1.00 0.00 C ATOM 520 O GLU A 34 4.468 13.250 3.514 1.00 0.00 O ATOM 521 CB GLU A 34 5.278 12.054 6.428 1.00 0.00 C ATOM 522 CG GLU A 34 4.232 12.481 7.445 1.00 0.00 C ATOM 523 CD GLU A 34 4.703 13.625 8.321 1.00 0.00 C ATOM 524 OE1 GLU A 34 4.528 14.793 7.915 1.00 0.00 O ATOM 525 OE2 GLU A 34 5.248 13.353 9.411 1.00 0.00 O ATOM 0 H GLU A 34 5.866 9.801 5.538 1.00 0.00 H new ATOM 0 HA GLU A 34 3.597 11.543 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.924 11.301 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.907 12.910 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.323 12.779 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.973 11.629 8.074 1.00 0.00 H new ATOM 532 N SER A 35 6.300 11.950 3.393 1.00 0.00 N ATOM 533 CA SER A 35 6.850 12.636 2.233 1.00 0.00 C ATOM 534 C SER A 35 6.685 11.773 0.989 1.00 0.00 C ATOM 535 O SER A 35 6.226 12.240 -0.054 1.00 0.00 O ATOM 536 CB SER A 35 8.329 12.970 2.454 1.00 0.00 C ATOM 537 OG SER A 35 8.774 12.506 3.716 1.00 0.00 O ATOM 0 H SER A 35 6.873 11.179 3.736 1.00 0.00 H new ATOM 0 HA SER A 35 6.305 13.569 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.929 12.517 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.475 14.048 2.387 1.00 0.00 H new ATOM 0 HG SER A 35 9.237 13.230 4.186 1.00 0.00 H new ATOM 543 N GLY A 36 7.065 10.506 1.119 1.00 0.00 N ATOM 544 CA GLY A 36 6.963 9.574 0.013 1.00 0.00 C ATOM 545 C GLY A 36 8.316 9.021 -0.399 1.00 0.00 C ATOM 546 O GLY A 36 8.397 7.949 -0.995 1.00 0.00 O ATOM 0 H GLY A 36 7.444 10.107 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.306 8.751 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.502 10.073 -0.839 1.00 0.00 H new ATOM 550 N ALA A 37 9.379 9.753 -0.076 1.00 0.00 N ATOM 551 CA ALA A 37 10.736 9.325 -0.411 1.00 0.00 C ATOM 552 C ALA A 37 11.689 9.472 0.778 1.00 0.00 C ATOM 553 O ALA A 37 12.869 9.132 0.679 1.00 0.00 O ATOM 554 CB ALA A 37 11.261 10.117 -1.599 1.00 0.00 C ATOM 0 H ALA A 37 9.328 10.645 0.417 1.00 0.00 H new ATOM 0 HA ALA A 37 10.690 8.268 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.272 9.788 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.614 9.953 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.274 11.178 -1.352 1.00 0.00 H new ATOM 560 N GLN A 38 11.181 9.984 1.897 1.00 0.00 N ATOM 561 CA GLN A 38 12.000 10.179 3.090 1.00 0.00 C ATOM 562 C GLN A 38 12.597 8.858 3.574 1.00 0.00 C ATOM 563 O GLN A 38 13.775 8.582 3.347 1.00 0.00 O ATOM 564 CB GLN A 38 11.171 10.822 4.203 1.00 0.00 C ATOM 565 CG GLN A 38 11.928 10.988 5.510 1.00 0.00 C ATOM 566 CD GLN A 38 13.042 12.013 5.411 1.00 0.00 C ATOM 567 OE1 GLN A 38 14.143 11.630 4.772 1.00 0.00 O flip ATOM 568 NE2 GLN A 38 12.915 13.134 5.901 1.00 0.00 N flip ATOM 0 H GLN A 38 10.208 10.271 2.002 1.00 0.00 H new ATOM 0 HA GLN A 38 12.822 10.845 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.824 11.799 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.284 10.213 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.232 11.287 6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.348 10.027 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.052 13.385 6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.673 13.812 5.825 1.00 0.00 H new ATOM 577 N ALA A 39 11.782 8.048 4.246 1.00 0.00 N ATOM 578 CA ALA A 39 12.235 6.759 4.766 1.00 0.00 C ATOM 579 C ALA A 39 12.375 5.713 3.660 1.00 0.00 C ATOM 580 O ALA A 39 12.471 4.518 3.939 1.00 0.00 O ATOM 581 CB ALA A 39 11.275 6.261 5.837 1.00 0.00 C ATOM 0 H ALA A 39 10.804 8.261 4.443 1.00 0.00 H new ATOM 0 HA ALA A 39 13.222 6.910 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.621 5.300 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.235 6.982 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.280 6.144 5.408 1.00 0.00 H new ATOM 587 N LYS A 40 12.384 6.160 2.406 1.00 0.00 N ATOM 588 CA LYS A 40 12.510 5.251 1.274 1.00 0.00 C ATOM 589 C LYS A 40 11.337 4.280 1.228 1.00 0.00 C ATOM 590 O LYS A 40 11.450 3.183 0.686 1.00 0.00 O ATOM 591 CB LYS A 40 13.827 4.479 1.355 1.00 0.00 C ATOM 592 CG LYS A 40 15.056 5.372 1.303 1.00 0.00 C ATOM 593 CD LYS A 40 16.188 4.714 0.533 1.00 0.00 C ATOM 594 CE LYS A 40 17.349 5.673 0.326 1.00 0.00 C ATOM 595 NZ LYS A 40 18.557 4.977 -0.195 1.00 0.00 N ATOM 0 H LYS A 40 12.306 7.144 2.151 1.00 0.00 H new ATOM 0 HA LYS A 40 12.504 5.844 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.845 3.903 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.872 3.764 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.798 6.321 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.387 5.598 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.534 3.833 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.821 4.371 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.053 6.457 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.590 6.161 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.326 5.665 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.855 4.246 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.335 4.533 -1.109 1.00 0.00 H new ATOM 609 N ILE A 41 10.212 4.695 1.802 1.00 0.00 N ATOM 610 CA ILE A 41 9.013 3.869 1.833 1.00 0.00 C ATOM 611 C ILE A 41 8.510 3.555 0.426 1.00 0.00 C ATOM 612 O ILE A 41 7.710 2.640 0.231 1.00 0.00 O ATOM 613 CB ILE A 41 7.893 4.561 2.638 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.420 4.957 4.021 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.670 3.657 2.758 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.350 5.448 4.972 1.00 0.00 C ATOM 0 H ILE A 41 10.107 5.603 2.254 1.00 0.00 H new ATOM 0 HA ILE A 41 9.281 2.932 2.320 1.00 0.00 H new ATOM 0 HB ILE A 41 7.584 5.462 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.921 4.098 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.171 5.738 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.895 4.167 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.292 3.422 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.948 2.734 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.804 5.708 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.864 6.328 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.610 4.662 5.124 1.00 0.00 H new ATOM 628 N ALA A 42 8.985 4.313 -0.557 1.00 0.00 N ATOM 629 CA ALA A 42 8.577 4.104 -1.938 1.00 0.00 C ATOM 630 C ALA A 42 9.202 2.834 -2.516 1.00 0.00 C ATOM 631 O ALA A 42 8.550 1.789 -2.590 1.00 0.00 O ATOM 632 CB ALA A 42 8.939 5.317 -2.786 1.00 0.00 C ATOM 0 H ALA A 42 9.650 5.074 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 42 7.495 3.977 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.628 5.146 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.431 6.199 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.017 5.475 -2.754 1.00 0.00 H new ATOM 638 N ILE A 43 10.467 2.925 -2.922 1.00 0.00 N ATOM 639 CA ILE A 43 11.167 1.779 -3.489 1.00 0.00 C ATOM 640 C ILE A 43 11.098 0.583 -2.548 1.00 0.00 C ATOM 641 O ILE A 43 11.028 -0.564 -2.992 1.00 0.00 O ATOM 642 CB ILE A 43 12.644 2.100 -3.794 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.748 3.336 -4.690 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.324 0.905 -4.453 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.095 3.158 -6.044 1.00 0.00 C ATOM 0 H ILE A 43 11.024 3.778 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 43 10.666 1.537 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 43 13.153 2.311 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.287 4.183 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.800 3.584 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.366 1.149 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.279 0.046 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.814 0.665 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.207 4.073 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.572 2.332 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.035 2.940 -5.911 1.00 0.00 H new ATOM 657 N ALA A 44 11.105 0.857 -1.248 1.00 0.00 N ATOM 658 CA ALA A 44 11.029 -0.202 -0.252 1.00 0.00 C ATOM 659 C ALA A 44 9.729 -0.978 -0.407 1.00 0.00 C ATOM 660 O ALA A 44 9.733 -2.121 -0.862 1.00 0.00 O ATOM 661 CB ALA A 44 11.142 0.372 1.151 1.00 0.00 C ATOM 0 H ALA A 44 11.162 1.799 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 44 11.864 -0.885 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.083 -0.436 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.096 0.888 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.328 1.076 1.323 1.00 0.00 H new ATOM 667 N GLU A 45 8.617 -0.347 -0.025 1.00 0.00 N ATOM 668 CA GLU A 45 7.300 -0.975 -0.120 1.00 0.00 C ATOM 669 C GLU A 45 7.206 -1.877 -1.345 1.00 0.00 C ATOM 670 O GLU A 45 6.673 -2.984 -1.273 1.00 0.00 O ATOM 671 CB GLU A 45 6.202 0.083 -0.165 1.00 0.00 C ATOM 672 CG GLU A 45 4.802 -0.505 -0.176 1.00 0.00 C ATOM 673 CD GLU A 45 4.199 -0.548 -1.566 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.849 0.527 -2.096 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.080 -1.658 -2.127 1.00 0.00 O ATOM 0 H GLU A 45 8.604 0.600 0.354 1.00 0.00 H new ATOM 0 HA GLU A 45 7.162 -1.590 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.305 0.741 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.337 0.699 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.833 -1.514 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.159 0.085 0.477 1.00 0.00 H new ATOM 682 N GLY A 46 7.761 -1.413 -2.461 1.00 0.00 N ATOM 683 CA GLY A 46 7.756 -2.219 -3.667 1.00 0.00 C ATOM 684 C GLY A 46 8.446 -3.546 -3.425 1.00 0.00 C ATOM 685 O GLY A 46 7.797 -4.588 -3.324 1.00 0.00 O ATOM 0 H GLY A 46 8.210 -0.502 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.730 -2.391 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.259 -1.683 -4.471 1.00 0.00 H new ATOM 689 N GLN A 47 9.773 -3.500 -3.333 1.00 0.00 N ATOM 690 CA GLN A 47 10.584 -4.695 -3.100 1.00 0.00 C ATOM 691 C GLN A 47 10.063 -5.546 -1.936 1.00 0.00 C ATOM 692 O GLN A 47 10.510 -6.678 -1.750 1.00 0.00 O ATOM 693 CB GLN A 47 12.039 -4.304 -2.831 1.00 0.00 C ATOM 694 CG GLN A 47 12.207 -3.294 -1.708 1.00 0.00 C ATOM 695 CD GLN A 47 13.641 -2.822 -1.562 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.239 -2.314 -2.511 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.204 -2.990 -0.370 1.00 0.00 N ATOM 0 H GLN A 47 10.315 -2.640 -3.417 1.00 0.00 H new ATOM 0 HA GLN A 47 10.518 -5.299 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.607 -5.202 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.469 -3.893 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.563 -2.435 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.877 -3.740 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.673 -3.415 0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.168 -2.693 -0.215 1.00 0.00 H new ATOM 706 N VAL A 48 9.130 -5.011 -1.150 1.00 0.00 N ATOM 707 CA VAL A 48 8.595 -5.757 -0.019 1.00 0.00 C ATOM 708 C VAL A 48 7.629 -6.848 -0.486 1.00 0.00 C ATOM 709 O VAL A 48 8.062 -7.969 -0.754 1.00 0.00 O ATOM 710 CB VAL A 48 7.900 -4.836 1.003 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.424 -5.644 2.205 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.842 -3.725 1.438 1.00 0.00 C ATOM 0 H VAL A 48 8.736 -4.079 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 48 9.443 -6.228 0.478 1.00 0.00 H new ATOM 0 HB VAL A 48 7.030 -4.381 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.935 -4.981 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.718 -6.406 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.278 -6.124 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.338 -3.082 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.730 -4.160 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.135 -3.135 0.569 1.00 0.00 H new ATOM 722 N LYS A 49 6.331 -6.549 -0.585 1.00 0.00 N ATOM 723 CA LYS A 49 5.376 -7.562 -1.020 1.00 0.00 C ATOM 724 C LYS A 49 4.031 -6.959 -1.410 1.00 0.00 C ATOM 725 O LYS A 49 3.395 -6.270 -0.611 1.00 0.00 O ATOM 726 CB LYS A 49 5.172 -8.585 0.099 1.00 0.00 C ATOM 727 CG LYS A 49 5.821 -9.927 -0.177 1.00 0.00 C ATOM 728 CD LYS A 49 5.069 -10.691 -1.252 1.00 0.00 C ATOM 729 CE LYS A 49 5.532 -12.139 -1.337 1.00 0.00 C ATOM 730 NZ LYS A 49 5.309 -12.875 -0.061 1.00 0.00 N ATOM 0 H LYS A 49 5.928 -5.636 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 49 5.789 -8.044 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.575 -8.180 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.103 -8.733 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.854 -9.777 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.848 -10.516 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.000 -10.662 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.216 -10.204 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.999 -12.643 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.592 -12.166 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.344 -13.899 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.049 -12.617 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.377 -12.623 0.327 1.00 0.00 H new ATOM 744 N VAL A 50 3.583 -7.245 -2.634 1.00 0.00 N ATOM 745 CA VAL A 50 2.298 -6.755 -3.103 1.00 0.00 C ATOM 746 C VAL A 50 1.393 -7.935 -3.435 1.00 0.00 C ATOM 747 O VAL A 50 1.862 -8.959 -3.928 1.00 0.00 O ATOM 748 CB VAL A 50 2.447 -5.860 -4.347 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.110 -5.247 -4.730 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.490 -4.778 -4.109 1.00 0.00 C ATOM 0 H VAL A 50 4.093 -7.812 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 50 1.859 -6.154 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 50 2.786 -6.481 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.237 -4.618 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.396 -6.040 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.737 -4.642 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.580 -4.157 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.186 -4.159 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.452 -5.242 -3.892 1.00 0.00 H new ATOM 760 N ASP A 51 0.105 -7.802 -3.142 1.00 0.00 N ATOM 761 CA ASP A 51 -0.853 -8.876 -3.398 1.00 0.00 C ATOM 762 C ASP A 51 -0.657 -9.484 -4.784 1.00 0.00 C ATOM 763 O ASP A 51 -1.145 -8.954 -5.782 1.00 0.00 O ATOM 764 CB ASP A 51 -2.277 -8.351 -3.263 1.00 0.00 C ATOM 765 CG ASP A 51 -3.222 -9.375 -2.666 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.057 -9.711 -1.475 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.129 -9.838 -3.389 1.00 0.00 O ATOM 0 H ASP A 51 -0.302 -6.963 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.680 -9.658 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.273 -7.458 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.645 -8.052 -4.245 1.00 0.00 H new ATOM 772 N GLY A 52 0.057 -10.602 -4.832 1.00 0.00 N ATOM 773 CA GLY A 52 0.305 -11.275 -6.091 1.00 0.00 C ATOM 774 C GLY A 52 1.399 -10.614 -6.912 1.00 0.00 C ATOM 775 O GLY A 52 1.581 -10.946 -8.084 1.00 0.00 O ATOM 0 H GLY A 52 0.470 -11.056 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.581 -12.311 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.616 -11.296 -6.673 1.00 0.00 H new ATOM 779 N ALA A 53 2.130 -9.679 -6.307 1.00 0.00 N ATOM 780 CA ALA A 53 3.202 -8.987 -7.011 1.00 0.00 C ATOM 781 C ALA A 53 4.367 -8.643 -6.085 1.00 0.00 C ATOM 782 O ALA A 53 4.467 -7.523 -5.584 1.00 0.00 O ATOM 783 CB ALA A 53 2.670 -7.728 -7.681 1.00 0.00 C ATOM 0 H ALA A 53 1.999 -9.387 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 53 3.581 -9.666 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.483 -7.222 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.892 -7.997 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.254 -7.062 -6.925 1.00 0.00 H new ATOM 789 N VAL A 54 5.250 -9.606 -5.852 1.00 0.00 N ATOM 790 CA VAL A 54 6.403 -9.379 -4.993 1.00 0.00 C ATOM 791 C VAL A 54 7.560 -8.801 -5.809 1.00 0.00 C ATOM 792 O VAL A 54 8.654 -9.362 -5.845 1.00 0.00 O ATOM 793 CB VAL A 54 6.855 -10.682 -4.297 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.216 -11.749 -5.321 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.021 -10.417 -3.354 1.00 0.00 C ATOM 0 H VAL A 54 5.190 -10.546 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 54 6.109 -8.667 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 54 6.020 -11.054 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.531 -12.656 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.347 -11.967 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.029 -11.389 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.321 -11.349 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.861 -10.012 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.717 -9.700 -2.592 1.00 0.00 H new ATOM 805 N GLU A 55 7.300 -7.678 -6.477 1.00 0.00 N ATOM 806 CA GLU A 55 8.307 -7.031 -7.313 1.00 0.00 C ATOM 807 C GLU A 55 8.967 -5.859 -6.593 1.00 0.00 C ATOM 808 O GLU A 55 8.643 -5.557 -5.445 1.00 0.00 O ATOM 809 CB GLU A 55 7.677 -6.547 -8.621 1.00 0.00 C ATOM 810 CG GLU A 55 7.501 -7.647 -9.654 1.00 0.00 C ATOM 811 CD GLU A 55 8.809 -8.042 -10.314 1.00 0.00 C ATOM 812 OE1 GLU A 55 9.785 -8.309 -9.583 1.00 0.00 O ATOM 813 OE2 GLU A 55 8.855 -8.083 -11.561 1.00 0.00 O ATOM 0 H GLU A 55 6.400 -7.198 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 55 9.078 -7.770 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.705 -6.104 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.299 -5.758 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.061 -8.522 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.799 -7.314 -10.418 1.00 0.00 H new ATOM 820 N THR A 56 9.906 -5.210 -7.279 1.00 0.00 N ATOM 821 CA THR A 56 10.629 -4.078 -6.708 1.00 0.00 C ATOM 822 C THR A 56 10.724 -2.914 -7.693 1.00 0.00 C ATOM 823 O THR A 56 11.744 -2.226 -7.751 1.00 0.00 O ATOM 824 CB THR A 56 12.041 -4.501 -6.289 1.00 0.00 C ATOM 825 OG1 THR A 56 12.938 -4.408 -7.382 1.00 0.00 O ATOM 826 CG2 THR A 56 12.125 -5.915 -5.753 1.00 0.00 C ATOM 0 H THR A 56 10.183 -5.450 -8.231 1.00 0.00 H new ATOM 0 HA THR A 56 10.069 -3.746 -5.834 1.00 0.00 H new ATOM 0 HB THR A 56 12.311 -3.814 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.060 -3.467 -7.626 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.156 -6.139 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.486 -6.010 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.793 -6.615 -6.520 1.00 0.00 H new ATOM 834 N ARG A 57 9.670 -2.696 -8.468 1.00 0.00 N ATOM 835 CA ARG A 57 9.661 -1.612 -9.445 1.00 0.00 C ATOM 836 C ARG A 57 9.227 -0.298 -8.806 1.00 0.00 C ATOM 837 O ARG A 57 8.783 -0.270 -7.657 1.00 0.00 O ATOM 838 CB ARG A 57 8.734 -1.959 -10.611 1.00 0.00 C ATOM 839 CG ARG A 57 8.945 -3.361 -11.160 1.00 0.00 C ATOM 840 CD ARG A 57 9.611 -3.335 -12.527 1.00 0.00 C ATOM 841 NE ARG A 57 11.022 -3.708 -12.456 1.00 0.00 N ATOM 842 CZ ARG A 57 11.801 -3.866 -13.522 1.00 0.00 C ATOM 843 NH1 ARG A 57 11.313 -3.683 -14.743 1.00 0.00 N ATOM 844 NH2 ARG A 57 13.073 -4.208 -13.369 1.00 0.00 N ATOM 0 H ARG A 57 8.814 -3.251 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 57 10.677 -1.488 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.699 -1.858 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.887 -1.237 -11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.560 -3.935 -10.466 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.985 -3.872 -11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.089 -4.018 -13.198 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.521 -2.337 -12.955 1.00 0.00 H new ATOM 0 HE ARG A 57 11.434 -3.856 -11.535 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.335 -3.420 -14.867 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.916 -3.806 -15.557 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.454 -4.350 -12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.670 -4.329 -14.187 1.00 0.00 H new ATOM 858 N LYS A 58 9.356 0.791 -9.559 1.00 0.00 N ATOM 859 CA LYS A 58 8.975 2.112 -9.070 1.00 0.00 C ATOM 860 C LYS A 58 7.459 2.269 -9.069 1.00 0.00 C ATOM 861 O LYS A 58 6.874 2.738 -8.095 1.00 0.00 O ATOM 862 CB LYS A 58 9.607 3.204 -9.934 1.00 0.00 C ATOM 863 CG LYS A 58 11.062 3.483 -9.598 1.00 0.00 C ATOM 864 CD LYS A 58 11.540 4.776 -10.239 1.00 0.00 C ATOM 865 CE LYS A 58 12.763 5.335 -9.529 1.00 0.00 C ATOM 866 NZ LYS A 58 12.457 5.749 -8.131 1.00 0.00 N ATOM 0 H LYS A 58 9.722 0.784 -10.511 1.00 0.00 H new ATOM 0 HA LYS A 58 9.339 2.212 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.535 2.913 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.034 4.124 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.182 3.545 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.682 2.654 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.778 4.597 -11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.737 5.513 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.552 4.583 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.145 6.191 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.474 6.787 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.514 5.400 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.169 5.349 -7.487 1.00 0.00 H new ATOM 880 N ARG A 59 6.831 1.874 -10.170 1.00 0.00 N ATOM 881 CA ARG A 59 5.383 1.966 -10.300 1.00 0.00 C ATOM 882 C ARG A 59 4.769 0.582 -10.447 1.00 0.00 C ATOM 883 O ARG A 59 5.293 -0.266 -11.169 1.00 0.00 O ATOM 884 CB ARG A 59 5.009 2.834 -11.502 1.00 0.00 C ATOM 885 CG ARG A 59 5.539 2.303 -12.825 1.00 0.00 C ATOM 886 CD ARG A 59 4.522 2.473 -13.943 1.00 0.00 C ATOM 887 NE ARG A 59 4.710 3.729 -14.663 1.00 0.00 N ATOM 888 CZ ARG A 59 5.663 3.929 -15.568 1.00 0.00 C ATOM 889 NH1 ARG A 59 6.513 2.956 -15.873 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.768 5.105 -16.172 1.00 0.00 N ATOM 0 H ARG A 59 7.303 1.486 -10.987 1.00 0.00 H new ATOM 0 HA ARG A 59 4.989 2.428 -9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.923 2.911 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.392 3.842 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.459 2.827 -13.086 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.792 1.248 -12.719 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.606 1.639 -14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.515 2.441 -13.526 1.00 0.00 H new ATOM 0 HE ARG A 59 4.072 4.499 -14.460 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.437 2.049 -15.412 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.242 3.115 -16.568 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.117 5.856 -15.942 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.499 5.258 -16.866 1.00 0.00 H new ATOM 904 N CYS A 60 3.658 0.357 -9.760 1.00 0.00 N ATOM 905 CA CYS A 60 2.982 -0.929 -9.821 1.00 0.00 C ATOM 906 C CYS A 60 1.605 -0.786 -10.458 1.00 0.00 C ATOM 907 O CYS A 60 0.721 -0.130 -9.910 1.00 0.00 O ATOM 908 CB CYS A 60 2.856 -1.521 -8.416 1.00 0.00 C ATOM 909 SG CYS A 60 3.551 -3.182 -8.250 1.00 0.00 S ATOM 0 H CYS A 60 3.208 1.045 -9.157 1.00 0.00 H new ATOM 0 HA CYS A 60 3.576 -1.603 -10.439 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.354 -0.858 -7.708 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.802 -1.550 -8.139 1.00 0.00 H new ATOM 0 HG CYS A 60 3.215 -3.680 -7.097 1.00 0.00 H new ATOM 915 N LYS A 61 1.429 -1.410 -11.614 1.00 0.00 N ATOM 916 CA LYS A 61 0.158 -1.355 -12.322 1.00 0.00 C ATOM 917 C LYS A 61 -0.843 -2.314 -11.690 1.00 0.00 C ATOM 918 O LYS A 61 -1.025 -3.438 -12.157 1.00 0.00 O ATOM 919 CB LYS A 61 0.363 -1.697 -13.797 1.00 0.00 C ATOM 920 CG LYS A 61 0.911 -0.545 -14.623 1.00 0.00 C ATOM 921 CD LYS A 61 0.670 -0.758 -16.110 1.00 0.00 C ATOM 922 CE LYS A 61 -0.401 0.182 -16.643 1.00 0.00 C ATOM 923 NZ LYS A 61 -0.525 0.103 -18.126 1.00 0.00 N ATOM 0 H LYS A 61 2.150 -1.960 -12.081 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.240 -0.343 -12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.046 -2.543 -13.873 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.589 -2.016 -14.222 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.440 0.386 -14.307 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.980 -0.440 -14.438 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.600 -0.599 -16.656 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.369 -1.791 -16.286 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.359 -0.064 -16.185 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.162 1.205 -16.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.265 0.759 -18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.382 0.362 -18.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.778 -0.867 -18.402 1.00 0.00 H new ATOM 937 N ILE A 62 -1.483 -1.865 -10.614 1.00 0.00 N ATOM 938 CA ILE A 62 -2.457 -2.685 -9.904 1.00 0.00 C ATOM 939 C ILE A 62 -3.724 -1.897 -9.598 1.00 0.00 C ATOM 940 O ILE A 62 -3.682 -0.684 -9.389 1.00 0.00 O ATOM 941 CB ILE A 62 -1.868 -3.229 -8.590 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.584 -4.008 -8.876 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.880 -4.111 -7.870 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.356 -4.080 -7.697 1.00 0.00 C ATOM 0 H ILE A 62 -1.344 -0.937 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.709 -3.521 -10.557 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.631 -2.387 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.845 -5.021 -9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.066 -3.543 -9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.443 -4.485 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.772 -3.529 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.150 -4.952 -8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.244 -4.647 -7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.647 -3.072 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.144 -4.573 -6.863 1.00 0.00 H new ATOM 956 N VAL A 63 -4.851 -2.598 -9.585 1.00 0.00 N ATOM 957 CA VAL A 63 -6.137 -1.972 -9.315 1.00 0.00 C ATOM 958 C VAL A 63 -7.136 -2.980 -8.758 1.00 0.00 C ATOM 959 O VAL A 63 -6.844 -4.173 -8.671 1.00 0.00 O ATOM 960 CB VAL A 63 -6.741 -1.346 -10.583 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.128 0.014 -10.841 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.548 -2.261 -11.785 1.00 0.00 C ATOM 0 H VAL A 63 -4.899 -3.602 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.949 -1.191 -8.579 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.812 -1.219 -10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.565 0.445 -11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.325 0.669 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.051 -0.092 -10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.984 -1.796 -12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.483 -2.426 -11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.039 -3.216 -11.598 1.00 0.00 H new ATOM 972 N ALA A 64 -8.320 -2.493 -8.396 1.00 0.00 N ATOM 973 CA ALA A 64 -9.381 -3.345 -7.864 1.00 0.00 C ATOM 974 C ALA A 64 -9.105 -3.734 -6.408 1.00 0.00 C ATOM 975 O ALA A 64 -8.474 -2.977 -5.671 1.00 0.00 O ATOM 976 CB ALA A 64 -9.565 -4.574 -8.756 1.00 0.00 C ATOM 0 H ALA A 64 -8.570 -1.506 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.314 -2.782 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.358 -5.202 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.833 -4.256 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.635 -5.141 -8.791 1.00 0.00 H new ATOM 982 N GLY A 65 -9.586 -4.903 -5.992 1.00 0.00 N ATOM 983 CA GLY A 65 -9.383 -5.341 -4.629 1.00 0.00 C ATOM 984 C GLY A 65 -8.043 -6.011 -4.436 1.00 0.00 C ATOM 985 O GLY A 65 -7.949 -7.238 -4.390 1.00 0.00 O ATOM 0 H GLY A 65 -10.112 -5.552 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.458 -4.484 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.177 -6.034 -4.350 1.00 0.00 H new ATOM 989 N GLN A 66 -7.004 -5.195 -4.331 1.00 0.00 N ATOM 990 CA GLN A 66 -5.648 -5.697 -4.150 1.00 0.00 C ATOM 991 C GLN A 66 -5.024 -5.137 -2.873 1.00 0.00 C ATOM 992 O GLN A 66 -5.425 -4.083 -2.378 1.00 0.00 O ATOM 993 CB GLN A 66 -4.784 -5.343 -5.360 1.00 0.00 C ATOM 994 CG GLN A 66 -5.251 -5.999 -6.649 1.00 0.00 C ATOM 995 CD GLN A 66 -4.682 -7.392 -6.834 1.00 0.00 C ATOM 996 OE1 GLN A 66 -3.560 -7.485 -7.538 1.00 0.00 O flip ATOM 997 NE2 GLN A 66 -5.243 -8.374 -6.347 1.00 0.00 N flip ATOM 0 H GLN A 66 -7.074 -4.178 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.698 -6.782 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.783 -4.261 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.755 -5.641 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.340 -6.052 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.960 -5.376 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.104 -8.257 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.847 -9.305 -6.478 1.00 0.00 H new ATOM 1006 N THR A 67 -4.060 -5.875 -2.335 1.00 0.00 N ATOM 1007 CA THR A 67 -3.383 -5.497 -1.097 1.00 0.00 C ATOM 1008 C THR A 67 -1.903 -5.176 -1.317 1.00 0.00 C ATOM 1009 O THR A 67 -1.283 -5.642 -2.272 1.00 0.00 O ATOM 1010 CB THR A 67 -3.517 -6.638 -0.079 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.880 -6.935 0.175 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.858 -6.351 1.254 1.00 0.00 C ATOM 0 H THR A 67 -3.726 -6.749 -2.741 1.00 0.00 H new ATOM 0 HA THR A 67 -3.859 -4.591 -0.722 1.00 0.00 H new ATOM 0 HB THR A 67 -3.005 -7.482 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.940 -7.717 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.996 -7.204 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.793 -6.177 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.311 -5.466 1.701 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.346 -4.379 -0.406 1.00 0.00 N ATOM 1021 CA VAL A 68 0.058 -3.989 -0.463 1.00 0.00 C ATOM 1022 C VAL A 68 0.696 -4.163 0.913 1.00 0.00 C ATOM 1023 O VAL A 68 0.021 -4.020 1.935 1.00 0.00 O ATOM 1024 CB VAL A 68 0.216 -2.522 -0.948 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.319 -1.778 -0.201 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.498 -2.501 -2.435 1.00 0.00 C ATOM 0 H VAL A 68 -1.854 -3.988 0.388 1.00 0.00 H new ATOM 0 HA VAL A 68 0.565 -4.633 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.722 -2.007 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.389 -0.757 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.087 -1.757 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.270 -2.287 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.608 -1.470 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.418 -3.049 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.329 -2.970 -2.969 1.00 0.00 H new ATOM 1036 N SER A 69 1.990 -4.476 0.946 1.00 0.00 N ATOM 1037 CA SER A 69 2.665 -4.666 2.223 1.00 0.00 C ATOM 1038 C SER A 69 4.104 -4.142 2.220 1.00 0.00 C ATOM 1039 O SER A 69 4.848 -4.314 1.247 1.00 0.00 O ATOM 1040 CB SER A 69 2.652 -6.145 2.613 1.00 0.00 C ATOM 1041 OG SER A 69 3.508 -6.904 1.777 1.00 0.00 O ATOM 0 H SER A 69 2.579 -4.601 0.122 1.00 0.00 H new ATOM 0 HA SER A 69 2.113 -4.082 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.965 -6.252 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.636 -6.533 2.545 1.00 0.00 H new ATOM 0 HG SER A 69 3.137 -6.934 0.870 1.00 0.00 H new ATOM 1047 N PHE A 70 4.477 -3.515 3.340 1.00 0.00 N ATOM 1048 CA PHE A 70 5.816 -2.960 3.531 1.00 0.00 C ATOM 1049 C PHE A 70 6.190 -2.975 5.011 1.00 0.00 C ATOM 1050 O PHE A 70 5.473 -2.416 5.840 1.00 0.00 O ATOM 1051 CB PHE A 70 5.887 -1.521 3.006 1.00 0.00 C ATOM 1052 CG PHE A 70 7.163 -0.802 3.365 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.337 -1.505 3.585 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.182 0.577 3.490 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.504 -0.849 3.920 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.347 1.239 3.825 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.510 0.526 4.041 1.00 0.00 C ATOM 0 H PHE A 70 3.857 -3.379 4.139 1.00 0.00 H new ATOM 0 HA PHE A 70 6.519 -3.578 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.782 -1.535 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.041 -0.958 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.339 -2.581 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.276 1.141 3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.411 -1.411 4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.349 2.315 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.421 1.043 4.304 1.00 0.00 H new ATOM 1067 N ALA A 71 7.318 -3.603 5.335 1.00 0.00 N ATOM 1068 CA ALA A 71 7.791 -3.678 6.715 1.00 0.00 C ATOM 1069 C ALA A 71 6.686 -4.143 7.664 1.00 0.00 C ATOM 1070 O ALA A 71 6.575 -5.331 7.962 1.00 0.00 O ATOM 1071 CB ALA A 71 8.345 -2.328 7.155 1.00 0.00 C ATOM 0 H ALA A 71 7.923 -4.068 4.658 1.00 0.00 H new ATOM 0 HA ALA A 71 8.590 -4.418 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.694 -2.396 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.176 -2.047 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.561 -1.573 7.087 1.00 0.00 H new ATOM 1077 N GLY A 72 5.871 -3.202 8.133 1.00 0.00 N ATOM 1078 CA GLY A 72 4.789 -3.540 9.039 1.00 0.00 C ATOM 1079 C GLY A 72 3.440 -3.042 8.561 1.00 0.00 C ATOM 1080 O GLY A 72 2.414 -3.352 9.164 1.00 0.00 O ATOM 0 H GLY A 72 5.941 -2.211 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.749 -4.622 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.999 -3.117 10.021 1.00 0.00 H new ATOM 1084 N HIS A 73 3.436 -2.259 7.487 1.00 0.00 N ATOM 1085 CA HIS A 73 2.195 -1.717 6.959 1.00 0.00 C ATOM 1086 C HIS A 73 1.565 -2.656 5.932 1.00 0.00 C ATOM 1087 O HIS A 73 2.046 -2.771 4.805 1.00 0.00 O ATOM 1088 CB HIS A 73 2.442 -0.349 6.321 1.00 0.00 C ATOM 1089 CG HIS A 73 3.201 0.599 7.194 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.592 0.293 8.478 1.00 0.00 N ATOM 1091 CD2 HIS A 73 3.646 1.856 6.957 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.246 1.318 8.996 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.292 2.279 8.092 1.00 0.00 N ATOM 0 H HIS A 73 4.273 -1.989 6.970 1.00 0.00 H new ATOM 0 HA HIS A 73 1.502 -1.610 7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.990 -0.487 5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.482 0.099 6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.517 2.420 6.045 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.670 1.362 9.988 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.736 3.189 8.217 1.00 0.00 H new ATOM 1101 N SER A 74 0.477 -3.311 6.325 1.00 0.00 N ATOM 1102 CA SER A 74 -0.232 -4.225 5.435 1.00 0.00 C ATOM 1103 C SER A 74 -1.667 -3.752 5.230 1.00 0.00 C ATOM 1104 O SER A 74 -2.547 -4.039 6.041 1.00 0.00 O ATOM 1105 CB SER A 74 -0.222 -5.643 6.009 1.00 0.00 C ATOM 1106 OG SER A 74 0.801 -6.427 5.416 1.00 0.00 O ATOM 0 H SER A 74 0.066 -3.226 7.255 1.00 0.00 H new ATOM 0 HA SER A 74 0.277 -4.236 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.073 -5.601 7.088 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.190 -6.114 5.839 1.00 0.00 H new ATOM 0 HG SER A 74 0.787 -7.328 5.801 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.895 -3.012 4.149 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.223 -2.483 3.849 1.00 0.00 C ATOM 1114 C VAL A 75 -3.704 -2.927 2.471 1.00 0.00 C ATOM 1115 O VAL A 75 -2.901 -3.226 1.588 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.233 -0.943 3.911 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.587 -0.384 3.508 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.831 -0.459 5.297 1.00 0.00 C ATOM 0 H VAL A 75 -1.179 -2.765 3.466 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.899 -2.881 4.606 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.499 -0.573 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.562 0.704 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.819 -0.692 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.353 -0.763 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.844 0.631 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.533 -0.846 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.827 -0.815 5.530 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.022 -2.955 2.295 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.618 -3.354 1.024 1.00 0.00 C ATOM 1130 C GLN A 76 -6.326 -2.179 0.361 1.00 0.00 C ATOM 1131 O GLN A 76 -6.578 -1.156 0.995 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.602 -4.506 1.233 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.120 -5.544 2.234 1.00 0.00 C ATOM 1134 CD GLN A 76 -6.838 -5.447 3.565 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.982 -4.997 3.635 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -6.168 -5.868 4.632 1.00 0.00 N ATOM 0 H GLN A 76 -5.698 -2.706 3.017 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.815 -3.688 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.555 -4.101 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.786 -4.994 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.267 -6.541 1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.049 -5.420 2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.222 -6.234 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.600 -5.825 5.555 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.637 -2.331 -0.921 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.311 -1.280 -1.679 1.00 0.00 C ATOM 1147 C VAL A 77 -8.368 -1.869 -2.608 1.00 0.00 C ATOM 1148 O VAL A 77 -8.231 -2.997 -3.077 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.306 -0.466 -2.520 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.956 0.799 -3.065 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.069 -0.127 -1.700 1.00 0.00 C ATOM 0 H VAL A 77 -6.433 -3.173 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.790 -0.621 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.996 -1.079 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.229 1.357 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.804 0.530 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.301 1.417 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.373 0.447 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.359 0.463 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.588 -1.048 -1.370 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.418 -1.095 -2.880 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.490 -1.541 -3.764 1.00 0.00 C ATOM 1163 C VAL A 78 -10.779 -0.499 -4.841 1.00 0.00 C ATOM 1164 O VAL A 78 -10.348 0.650 -4.736 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.789 -1.830 -2.983 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.563 -2.933 -1.960 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.310 -0.567 -2.313 1.00 0.00 C ATOM 0 H VAL A 78 -9.548 -0.157 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.148 -2.464 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.545 -2.171 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.490 -3.123 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.247 -3.843 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.789 -2.624 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.226 -0.795 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.560 -0.188 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.517 0.188 -3.071 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.513 -0.902 -5.873 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.858 0.002 -6.964 1.00 0.00 C ATOM 1179 C ALA A 79 -13.370 0.114 -7.130 1.00 0.00 C ATOM 1180 O ALA A 79 -13.984 -0.858 -7.617 1.00 0.00 O ATOM 1181 CB ALA A 79 -11.217 -0.464 -8.263 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.926 1.173 -6.772 1.00 0.00 O ATOM 0 H ALA A 79 -11.880 -1.848 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.471 0.990 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.484 0.222 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.133 -0.483 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.573 -1.465 -8.506 1.00 0.00 H new TER 1188 ALA A 79