USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 475 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 17 HIS : no HE2:sc= 0.92 K(o=2,f=-7.8!) USER MOD Set 1.2: A 62 TYR OH : rot 70:sc= 1.09 USER MOD Set 2.1: A 10 THR OG1 : rot 85:sc= -0.0962 USER MOD Set 2.2: A 14 CYS SG : rot -117:sc= -2.39! USER MOD Single : A 3 HIS :FLIP no HE2:sc= -0.324 F(o=-1.4,f=-0.32) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 79:sc= -0.408! USER MOD Single : A 9 MET CE :methyl -144:sc= -0.811 (180deg=-4.31!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.229 USER MOD Single : A 13 SER OG : rot -16:sc= 0.479 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= 2.03 (180deg=1.41) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 30 SER OG : rot 180:sc= -0.257 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 49 SER OG : rot 74:sc= 0.155 USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.786 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -2.02! USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.633 0.432 -2.185 1.00 0.00 N ATOM 35 CA HIS A 3 -5.047 0.630 -1.897 1.00 0.00 C ATOM 36 C HIS A 3 -5.705 1.461 -2.986 1.00 0.00 C ATOM 37 O HIS A 3 -5.339 2.614 -3.221 1.00 0.00 O ATOM 38 CB HIS A 3 -5.325 1.269 -0.513 1.00 0.00 C ATOM 39 CG HIS A 3 -4.211 2.055 0.140 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.030 2.533 -0.325 1.00 0.00 N flip ATOM 41 CD2 HIS A 3 -4.269 2.432 1.463 1.00 0.00 C flip ATOM 42 CE1 HIS A 3 -2.409 3.180 0.717 1.00 0.00 C flip ATOM 43 NE2 HIS A 3 -3.183 3.106 1.779 1.00 0.00 N flip ATOM 0 HA HIS A 3 -5.482 -0.369 -1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.185 1.931 -0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.617 0.472 0.171 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.669 2.431 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.082 2.209 2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.446 3.668 0.672 1.00 0.00 H new ATOM 52 N LEU A 4 -6.678 0.858 -3.645 1.00 0.00 N ATOM 53 CA LEU A 4 -7.434 1.511 -4.700 1.00 0.00 C ATOM 54 C LEU A 4 -8.716 2.089 -4.118 1.00 0.00 C ATOM 55 O LEU A 4 -9.135 1.692 -3.034 1.00 0.00 O ATOM 56 CB LEU A 4 -7.772 0.502 -5.802 1.00 0.00 C ATOM 57 CG LEU A 4 -6.988 0.661 -7.106 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.513 0.360 -6.886 1.00 0.00 C ATOM 59 CD2 LEU A 4 -7.564 -0.255 -8.177 1.00 0.00 C ATOM 0 H LEU A 4 -6.968 -0.103 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.835 2.314 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.600 -0.503 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.836 0.579 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.078 1.694 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.973 0.479 -7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.108 1.049 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.400 -0.664 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.999 -0.134 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.498 -1.291 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.608 0.003 -8.354 1.00 0.00 H new ATOM 71 N LYS A 5 -9.337 3.010 -4.828 1.00 0.00 N ATOM 72 CA LYS A 5 -10.562 3.635 -4.351 1.00 0.00 C ATOM 73 C LYS A 5 -11.761 3.086 -5.104 1.00 0.00 C ATOM 74 O LYS A 5 -11.770 3.036 -6.333 1.00 0.00 O ATOM 75 CB LYS A 5 -10.491 5.150 -4.512 1.00 0.00 C ATOM 76 CG LYS A 5 -10.775 5.927 -3.233 1.00 0.00 C ATOM 77 CD LYS A 5 -12.178 6.524 -3.224 1.00 0.00 C ATOM 78 CE LYS A 5 -12.576 7.074 -4.586 1.00 0.00 C ATOM 79 NZ LYS A 5 -12.666 8.559 -4.596 1.00 0.00 N ATOM 0 H LYS A 5 -9.017 3.344 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.674 3.404 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.499 5.420 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.205 5.457 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.657 5.266 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.041 6.725 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.894 5.761 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.227 7.322 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.848 6.752 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.538 6.653 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.940 8.884 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.379 8.868 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.742 8.964 -4.345 1.00 0.00 H new ATOM 93 N ILE A 6 -12.769 2.678 -4.356 1.00 0.00 N ATOM 94 CA ILE A 6 -13.957 2.066 -4.930 1.00 0.00 C ATOM 95 C ILE A 6 -15.161 2.991 -4.782 1.00 0.00 C ATOM 96 O ILE A 6 -15.691 3.168 -3.682 1.00 0.00 O ATOM 97 CB ILE A 6 -14.262 0.711 -4.257 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.039 -0.214 -4.311 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.464 0.043 -4.911 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.499 -0.441 -5.709 1.00 0.00 C ATOM 0 H ILE A 6 -12.790 2.760 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.763 1.896 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.501 0.901 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.248 0.209 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.305 -1.177 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.661 -0.911 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.337 0.689 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.255 -0.128 -5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.636 -1.105 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.273 -0.895 -6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.200 0.513 -6.143 1.00 0.00 H new ATOM 112 N THR A 7 -15.601 3.573 -5.889 1.00 0.00 N ATOM 113 CA THR A 7 -16.668 4.552 -5.850 1.00 0.00 C ATOM 114 C THR A 7 -17.718 4.261 -6.917 1.00 0.00 C ATOM 115 O THR A 7 -17.580 3.317 -7.703 1.00 0.00 O ATOM 116 CB THR A 7 -16.108 5.970 -6.054 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.735 5.896 -6.466 1.00 0.00 O ATOM 118 CG2 THR A 7 -16.208 6.782 -4.771 1.00 0.00 C ATOM 0 H THR A 7 -15.234 3.382 -6.821 1.00 0.00 H new ATOM 0 HA THR A 7 -17.139 4.489 -4.869 1.00 0.00 H new ATOM 0 HB THR A 7 -16.699 6.463 -6.826 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.691 5.678 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.806 7.781 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 7 -17.253 6.858 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.637 6.290 -3.983 1.00 0.00 H new ATOM 126 N GLY A 8 -18.771 5.062 -6.932 1.00 0.00 N ATOM 127 CA GLY A 8 -19.819 4.892 -7.914 1.00 0.00 C ATOM 128 C GLY A 8 -20.917 3.978 -7.422 1.00 0.00 C ATOM 129 O GLY A 8 -22.100 4.239 -7.643 1.00 0.00 O ATOM 0 H GLY A 8 -18.919 5.831 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.243 5.865 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.393 4.485 -8.831 1.00 0.00 H new ATOM 133 N MET A 9 -20.524 2.892 -6.768 1.00 0.00 N ATOM 134 CA MET A 9 -21.485 1.940 -6.228 1.00 0.00 C ATOM 135 C MET A 9 -21.943 2.350 -4.830 1.00 0.00 C ATOM 136 O MET A 9 -22.719 3.291 -4.669 1.00 0.00 O ATOM 137 CB MET A 9 -20.876 0.540 -6.190 1.00 0.00 C ATOM 138 CG MET A 9 -21.021 -0.224 -7.493 1.00 0.00 C ATOM 139 SD MET A 9 -19.853 -1.594 -7.617 1.00 0.00 S ATOM 140 CE MET A 9 -18.319 -0.779 -7.175 1.00 0.00 C ATOM 0 H MET A 9 -19.548 2.649 -6.599 1.00 0.00 H new ATOM 0 HA MET A 9 -22.357 1.934 -6.882 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.818 0.620 -5.942 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.348 -0.030 -5.390 1.00 0.00 H new ATOM 0 HG2 MET A 9 -22.038 -0.608 -7.575 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.869 0.457 -8.330 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.502 -1.196 -7.765 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.403 0.289 -7.376 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.117 -0.934 -6.115 1.00 0.00 H new ATOM 150 N THR A 10 -21.469 1.635 -3.814 1.00 0.00 N ATOM 151 CA THR A 10 -21.818 1.931 -2.433 1.00 0.00 C ATOM 152 C THR A 10 -20.754 1.391 -1.474 1.00 0.00 C ATOM 153 O THR A 10 -19.847 2.123 -1.069 1.00 0.00 O ATOM 154 CB THR A 10 -23.190 1.337 -2.058 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.068 1.335 -3.197 1.00 0.00 O ATOM 156 CG2 THR A 10 -23.830 2.123 -0.928 1.00 0.00 C ATOM 0 H THR A 10 -20.838 0.841 -3.925 1.00 0.00 H new ATOM 0 HA THR A 10 -21.870 3.016 -2.341 1.00 0.00 H new ATOM 0 HB THR A 10 -23.028 0.311 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.903 0.533 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.797 1.684 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.183 2.092 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.970 3.158 -1.239 1.00 0.00 H new ATOM 164 N CYS A 11 -20.842 0.106 -1.137 1.00 0.00 N ATOM 165 CA CYS A 11 -19.941 -0.483 -0.151 1.00 0.00 C ATOM 166 C CYS A 11 -19.782 -1.996 -0.342 1.00 0.00 C ATOM 167 O CYS A 11 -19.651 -2.467 -1.468 1.00 0.00 O ATOM 168 CB CYS A 11 -20.427 -0.163 1.260 1.00 0.00 C ATOM 169 SG CYS A 11 -22.225 -0.094 1.451 1.00 0.00 S ATOM 0 H CYS A 11 -21.524 -0.543 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.956 -0.041 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.033 -0.915 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.007 0.796 1.564 1.00 0.00 H new ATOM 0 HG CYS A 11 -22.520 0.182 2.687 1.00 0.00 H new ATOM 175 N ASP A 12 -19.793 -2.734 0.773 1.00 0.00 N ATOM 176 CA ASP A 12 -19.489 -4.177 0.812 1.00 0.00 C ATOM 177 C ASP A 12 -20.111 -4.991 -0.328 1.00 0.00 C ATOM 178 O ASP A 12 -19.396 -5.693 -1.042 1.00 0.00 O ATOM 179 CB ASP A 12 -19.915 -4.777 2.159 1.00 0.00 C ATOM 180 CG ASP A 12 -21.387 -4.573 2.468 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.738 -3.517 3.034 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.197 -5.463 2.144 1.00 0.00 O ATOM 0 H ASP A 12 -20.016 -2.345 1.689 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.409 -4.245 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.695 -5.845 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.318 -4.329 2.954 1.00 0.00 H new ATOM 187 N SER A 13 -21.425 -4.903 -0.504 1.00 0.00 N ATOM 188 CA SER A 13 -22.119 -5.734 -1.484 1.00 0.00 C ATOM 189 C SER A 13 -21.657 -5.405 -2.902 1.00 0.00 C ATOM 190 O SER A 13 -21.641 -6.263 -3.785 1.00 0.00 O ATOM 191 CB SER A 13 -23.631 -5.550 -1.351 1.00 0.00 C ATOM 192 OG SER A 13 -23.999 -5.307 0.001 1.00 0.00 O ATOM 0 H SER A 13 -22.030 -4.268 0.016 1.00 0.00 H new ATOM 0 HA SER A 13 -21.875 -6.778 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.956 -4.717 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.143 -6.440 -1.716 1.00 0.00 H new ATOM 0 HG SER A 13 -23.258 -5.556 0.592 1.00 0.00 H new ATOM 198 N CYS A 14 -21.264 -4.159 -3.098 1.00 0.00 N ATOM 199 CA CYS A 14 -20.735 -3.706 -4.372 1.00 0.00 C ATOM 200 C CYS A 14 -19.272 -4.106 -4.514 1.00 0.00 C ATOM 201 O CYS A 14 -18.840 -4.593 -5.563 1.00 0.00 O ATOM 202 CB CYS A 14 -20.868 -2.192 -4.456 1.00 0.00 C ATOM 203 SG CYS A 14 -22.502 -1.571 -3.998 1.00 0.00 S ATOM 0 H CYS A 14 -21.302 -3.435 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.299 -4.172 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.122 -1.735 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.642 -1.874 -5.474 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.047 -0.985 -5.023 1.00 0.00 H new ATOM 209 N ALA A 15 -18.524 -3.910 -3.437 1.00 0.00 N ATOM 210 CA ALA A 15 -17.098 -4.196 -3.409 1.00 0.00 C ATOM 211 C ALA A 15 -16.810 -5.679 -3.629 1.00 0.00 C ATOM 212 O ALA A 15 -15.717 -6.044 -4.054 1.00 0.00 O ATOM 213 CB ALA A 15 -16.508 -3.736 -2.087 1.00 0.00 C ATOM 0 H ALA A 15 -18.890 -3.547 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.631 -3.649 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.440 -3.952 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.663 -2.663 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.997 -4.262 -1.267 1.00 0.00 H new ATOM 219 N ALA A 16 -17.792 -6.527 -3.339 1.00 0.00 N ATOM 220 CA ALA A 16 -17.650 -7.966 -3.532 1.00 0.00 C ATOM 221 C ALA A 16 -17.329 -8.289 -4.989 1.00 0.00 C ATOM 222 O ALA A 16 -16.396 -9.045 -5.282 1.00 0.00 O ATOM 223 CB ALA A 16 -18.918 -8.681 -3.096 1.00 0.00 C ATOM 0 H ALA A 16 -18.698 -6.241 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.821 -8.316 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.800 -9.754 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.105 -8.479 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.760 -8.323 -3.689 1.00 0.00 H new ATOM 229 N HIS A 17 -18.091 -7.686 -5.898 1.00 0.00 N ATOM 230 CA HIS A 17 -17.891 -7.896 -7.327 1.00 0.00 C ATOM 231 C HIS A 17 -16.510 -7.415 -7.745 1.00 0.00 C ATOM 232 O HIS A 17 -15.825 -8.065 -8.531 1.00 0.00 O ATOM 233 CB HIS A 17 -18.957 -7.162 -8.141 1.00 0.00 C ATOM 234 CG HIS A 17 -19.225 -7.793 -9.475 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.450 -7.067 -10.624 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.295 -9.095 -9.839 1.00 0.00 C ATOM 237 CE1 HIS A 17 -19.645 -7.895 -11.635 1.00 0.00 C ATOM 238 NE2 HIS A 17 -19.555 -9.131 -11.183 1.00 0.00 N ATOM 0 H HIS A 17 -18.853 -7.048 -5.669 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.975 -8.965 -7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.884 -7.132 -7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.642 -6.130 -8.292 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -19.464 -6.049 -10.685 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.169 -9.948 -9.189 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -19.844 -7.609 -12.657 1.00 0.00 H new ATOM 247 N VAL A 18 -16.111 -6.271 -7.203 1.00 0.00 N ATOM 248 CA VAL A 18 -14.809 -5.692 -7.500 1.00 0.00 C ATOM 249 C VAL A 18 -13.693 -6.583 -6.970 1.00 0.00 C ATOM 250 O VAL A 18 -12.709 -6.838 -7.662 1.00 0.00 O ATOM 251 CB VAL A 18 -14.673 -4.282 -6.888 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.332 -3.662 -7.247 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.814 -3.391 -7.349 1.00 0.00 C ATOM 0 H VAL A 18 -16.675 -5.724 -6.552 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.725 -5.613 -8.584 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.723 -4.375 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.260 -2.669 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.527 -4.289 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.246 -3.583 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.703 -2.400 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.795 -3.309 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.764 -3.824 -7.034 1.00 0.00 H new ATOM 263 N LYS A 19 -13.865 -7.068 -5.747 1.00 0.00 N ATOM 264 CA LYS A 19 -12.887 -7.945 -5.121 1.00 0.00 C ATOM 265 C LYS A 19 -12.701 -9.215 -5.937 1.00 0.00 C ATOM 266 O LYS A 19 -11.574 -9.624 -6.219 1.00 0.00 O ATOM 267 CB LYS A 19 -13.321 -8.298 -3.696 1.00 0.00 C ATOM 268 CG LYS A 19 -12.313 -9.148 -2.940 1.00 0.00 C ATOM 269 CD LYS A 19 -12.893 -10.504 -2.570 1.00 0.00 C ATOM 270 CE LYS A 19 -12.401 -10.969 -1.209 1.00 0.00 C ATOM 271 NZ LYS A 19 -11.004 -11.474 -1.263 1.00 0.00 N ATOM 0 H LYS A 19 -14.679 -6.866 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.935 -7.416 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.494 -7.376 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.272 -8.829 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.422 -9.287 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.001 -8.626 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.981 -10.446 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.617 -11.238 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.460 -10.143 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.057 -11.756 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.783 -11.979 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.900 -12.123 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.350 -10.674 -1.377 1.00 0.00 H new ATOM 285 N GLU A 20 -13.811 -9.829 -6.322 1.00 0.00 N ATOM 286 CA GLU A 20 -13.764 -11.048 -7.112 1.00 0.00 C ATOM 287 C GLU A 20 -13.159 -10.780 -8.487 1.00 0.00 C ATOM 288 O GLU A 20 -12.361 -11.572 -8.993 1.00 0.00 O ATOM 289 CB GLU A 20 -15.164 -11.642 -7.249 1.00 0.00 C ATOM 290 CG GLU A 20 -15.181 -13.056 -7.805 1.00 0.00 C ATOM 291 CD GLU A 20 -16.132 -13.211 -8.973 1.00 0.00 C ATOM 292 OE1 GLU A 20 -16.577 -12.186 -9.527 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.447 -14.360 -9.341 1.00 0.00 O ATOM 0 H GLU A 20 -14.752 -9.503 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.128 -11.768 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.646 -11.641 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.759 -11.000 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.175 -13.330 -8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.466 -13.750 -7.014 1.00 0.00 H new ATOM 300 N ALA A 21 -13.516 -9.643 -9.072 1.00 0.00 N ATOM 301 CA ALA A 21 -12.997 -9.269 -10.381 1.00 0.00 C ATOM 302 C ALA A 21 -11.494 -9.066 -10.297 1.00 0.00 C ATOM 303 O ALA A 21 -10.753 -9.416 -11.217 1.00 0.00 O ATOM 304 CB ALA A 21 -13.682 -8.009 -10.897 1.00 0.00 C ATOM 0 H ALA A 21 -14.160 -8.967 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.207 -10.074 -11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.278 -7.750 -11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.754 -8.187 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.505 -7.188 -10.202 1.00 0.00 H new ATOM 310 N LEU A 22 -11.056 -8.515 -9.173 1.00 0.00 N ATOM 311 CA LEU A 22 -9.641 -8.302 -8.920 1.00 0.00 C ATOM 312 C LEU A 22 -8.921 -9.634 -8.779 1.00 0.00 C ATOM 313 O LEU A 22 -7.922 -9.886 -9.447 1.00 0.00 O ATOM 314 CB LEU A 22 -9.441 -7.464 -7.654 1.00 0.00 C ATOM 315 CG LEU A 22 -9.480 -5.948 -7.861 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.788 -5.240 -6.551 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.158 -5.457 -8.433 1.00 0.00 C ATOM 0 H LEU A 22 -11.668 -8.206 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.220 -7.761 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.212 -7.736 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.481 -7.729 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.273 -5.716 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.812 -4.163 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.757 -5.571 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.016 -5.478 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.201 -4.377 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.350 -5.700 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.974 -5.941 -9.392 1.00 0.00 H new ATOM 329 N GLU A 23 -9.453 -10.497 -7.925 1.00 0.00 N ATOM 330 CA GLU A 23 -8.813 -11.771 -7.634 1.00 0.00 C ATOM 331 C GLU A 23 -9.001 -12.766 -8.774 1.00 0.00 C ATOM 332 O GLU A 23 -8.436 -13.859 -8.756 1.00 0.00 O ATOM 333 CB GLU A 23 -9.339 -12.338 -6.319 1.00 0.00 C ATOM 334 CG GLU A 23 -8.506 -11.901 -5.126 1.00 0.00 C ATOM 335 CD GLU A 23 -9.215 -12.062 -3.796 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.423 -12.373 -3.785 1.00 0.00 O ATOM 337 OE2 GLU A 23 -8.565 -11.869 -2.747 1.00 0.00 O ATOM 0 H GLU A 23 -10.326 -10.338 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.742 -11.596 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.371 -12.018 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.348 -13.427 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.582 -12.479 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.225 -10.856 -5.254 1.00 0.00 H new ATOM 344 N LYS A 24 -9.806 -12.391 -9.758 1.00 0.00 N ATOM 345 CA LYS A 24 -9.913 -13.161 -10.988 1.00 0.00 C ATOM 346 C LYS A 24 -8.704 -12.885 -11.876 1.00 0.00 C ATOM 347 O LYS A 24 -8.399 -13.648 -12.790 1.00 0.00 O ATOM 348 CB LYS A 24 -11.202 -12.809 -11.734 1.00 0.00 C ATOM 349 CG LYS A 24 -12.242 -13.917 -11.721 1.00 0.00 C ATOM 350 CD LYS A 24 -13.655 -13.357 -11.820 1.00 0.00 C ATOM 351 CE LYS A 24 -14.097 -13.206 -13.266 1.00 0.00 C ATOM 352 NZ LYS A 24 -14.435 -11.799 -13.601 1.00 0.00 N ATOM 0 H LYS A 24 -10.394 -11.558 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.940 -14.221 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.634 -11.913 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.957 -12.566 -12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.060 -14.598 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.144 -14.499 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.346 -14.016 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.699 -12.388 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.303 -13.555 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.965 -13.840 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.731 -11.741 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.210 -11.473 -12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.600 -11.197 -13.453 1.00 0.00 H new ATOM 366 N VAL A 25 -8.025 -11.778 -11.602 1.00 0.00 N ATOM 367 CA VAL A 25 -6.815 -11.414 -12.319 1.00 0.00 C ATOM 368 C VAL A 25 -5.605 -12.096 -11.675 1.00 0.00 C ATOM 369 O VAL A 25 -5.370 -11.946 -10.477 1.00 0.00 O ATOM 370 CB VAL A 25 -6.620 -9.880 -12.321 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.261 -9.494 -12.887 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.737 -9.202 -13.102 1.00 0.00 C ATOM 0 H VAL A 25 -8.298 -11.112 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.910 -11.749 -13.352 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.659 -9.537 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.156 -8.409 -12.874 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.474 -9.942 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.178 -9.854 -13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.584 -8.123 -13.093 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.731 -9.561 -14.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.697 -9.436 -12.642 1.00 0.00 H new ATOM 382 N PRO A 26 -4.821 -12.851 -12.467 1.00 0.00 N ATOM 383 CA PRO A 26 -3.679 -13.636 -11.962 1.00 0.00 C ATOM 384 C PRO A 26 -2.583 -12.773 -11.335 1.00 0.00 C ATOM 385 O PRO A 26 -1.735 -13.274 -10.595 1.00 0.00 O ATOM 386 CB PRO A 26 -3.146 -14.350 -13.211 1.00 0.00 C ATOM 387 CG PRO A 26 -3.662 -13.559 -14.361 1.00 0.00 C ATOM 388 CD PRO A 26 -4.989 -13.009 -13.922 1.00 0.00 C ATOM 0 HA PRO A 26 -3.989 -14.311 -11.164 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.056 -14.382 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.495 -15.382 -13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.974 -12.755 -14.622 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.772 -14.185 -15.247 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.212 -12.059 -14.407 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.806 -13.689 -14.162 1.00 0.00 H new ATOM 396 N GLY A 27 -2.604 -11.479 -11.630 1.00 0.00 N ATOM 397 CA GLY A 27 -1.616 -10.579 -11.069 1.00 0.00 C ATOM 398 C GLY A 27 -1.924 -10.216 -9.631 1.00 0.00 C ATOM 399 O GLY A 27 -1.066 -9.699 -8.916 1.00 0.00 O ATOM 0 H GLY A 27 -3.286 -11.038 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.632 -11.044 -11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.572 -9.671 -11.670 1.00 0.00 H new ATOM 403 N VAL A 28 -3.151 -10.485 -9.207 1.00 0.00 N ATOM 404 CA VAL A 28 -3.569 -10.203 -7.848 1.00 0.00 C ATOM 405 C VAL A 28 -3.412 -11.450 -6.989 1.00 0.00 C ATOM 406 O VAL A 28 -3.900 -12.526 -7.342 1.00 0.00 O ATOM 407 CB VAL A 28 -5.034 -9.718 -7.803 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.486 -9.471 -6.370 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.205 -8.460 -8.642 1.00 0.00 C ATOM 0 H VAL A 28 -3.876 -10.901 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.935 -9.407 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.662 -10.504 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.521 -9.130 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.408 -10.396 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.853 -8.709 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.244 -8.132 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.560 -7.673 -8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.934 -8.673 -9.676 1.00 0.00 H new ATOM 419 N GLN A 29 -2.706 -11.312 -5.882 1.00 0.00 N ATOM 420 CA GLN A 29 -2.511 -12.421 -4.966 1.00 0.00 C ATOM 421 C GLN A 29 -3.657 -12.488 -3.969 1.00 0.00 C ATOM 422 O GLN A 29 -4.229 -13.552 -3.732 1.00 0.00 O ATOM 423 CB GLN A 29 -1.184 -12.276 -4.227 1.00 0.00 C ATOM 424 CG GLN A 29 -0.499 -13.599 -3.946 1.00 0.00 C ATOM 425 CD GLN A 29 0.996 -13.445 -3.782 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.680 -12.930 -4.664 1.00 0.00 O ATOM 427 NE2 GLN A 29 1.515 -13.902 -2.652 1.00 0.00 N ATOM 0 H GLN A 29 -2.258 -10.442 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.490 -13.345 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.516 -11.648 -4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.358 -11.758 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.919 -14.038 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.704 -14.293 -4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.910 -14.322 -1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.519 -13.833 -2.488 1.00 0.00 H new ATOM 436 N SER A 30 -3.986 -11.344 -3.386 1.00 0.00 N ATOM 437 CA SER A 30 -5.070 -11.259 -2.416 1.00 0.00 C ATOM 438 C SER A 30 -5.634 -9.846 -2.400 1.00 0.00 C ATOM 439 O SER A 30 -4.881 -8.876 -2.363 1.00 0.00 O ATOM 440 CB SER A 30 -4.570 -11.636 -1.015 1.00 0.00 C ATOM 441 OG SER A 30 -3.546 -12.619 -1.081 1.00 0.00 O ATOM 0 H SER A 30 -3.516 -10.458 -3.569 1.00 0.00 H new ATOM 0 HA SER A 30 -5.854 -11.959 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.192 -10.747 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.401 -12.013 -0.419 1.00 0.00 H new ATOM 0 HG SER A 30 -3.245 -12.839 -0.175 1.00 0.00 H new ATOM 447 N ALA A 31 -6.948 -9.730 -2.451 1.00 0.00 N ATOM 448 CA ALA A 31 -7.597 -8.430 -2.443 1.00 0.00 C ATOM 449 C ALA A 31 -8.584 -8.325 -1.291 1.00 0.00 C ATOM 450 O ALA A 31 -9.529 -9.110 -1.195 1.00 0.00 O ATOM 451 CB ALA A 31 -8.299 -8.178 -3.768 1.00 0.00 C ATOM 0 H ALA A 31 -7.589 -10.522 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.830 -7.668 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.780 -7.200 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.569 -8.204 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.052 -8.949 -3.933 1.00 0.00 H new ATOM 457 N LEU A 32 -8.356 -7.362 -0.413 1.00 0.00 N ATOM 458 CA LEU A 32 -9.245 -7.117 0.702 1.00 0.00 C ATOM 459 C LEU A 32 -9.827 -5.713 0.581 1.00 0.00 C ATOM 460 O LEU A 32 -9.124 -4.714 0.728 1.00 0.00 O ATOM 461 CB LEU A 32 -8.492 -7.310 2.030 1.00 0.00 C ATOM 462 CG LEU A 32 -8.725 -6.238 3.097 1.00 0.00 C ATOM 463 CD1 LEU A 32 -9.776 -6.696 4.096 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.421 -5.901 3.806 1.00 0.00 C ATOM 0 H LEU A 32 -7.554 -6.734 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.068 -7.831 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.774 -8.277 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.424 -7.355 1.816 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.092 -5.337 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.927 -5.920 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.715 -6.885 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.440 -7.611 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.605 -5.137 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.025 -6.797 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.698 -5.527 3.080 1.00 0.00 H new ATOM 476 N VAL A 33 -11.106 -5.638 0.263 1.00 0.00 N ATOM 477 CA VAL A 33 -11.765 -4.356 0.100 1.00 0.00 C ATOM 478 C VAL A 33 -12.458 -3.954 1.393 1.00 0.00 C ATOM 479 O VAL A 33 -13.143 -4.761 2.021 1.00 0.00 O ATOM 480 CB VAL A 33 -12.793 -4.375 -1.046 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.178 -2.959 -1.449 1.00 0.00 C ATOM 482 CG2 VAL A 33 -12.258 -5.146 -2.244 1.00 0.00 C ATOM 0 H VAL A 33 -11.708 -6.448 0.113 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.994 -3.628 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.687 -4.884 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.905 -2.997 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.615 -2.443 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.290 -2.421 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.003 -5.145 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.344 -4.673 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.044 -6.173 -1.949 1.00 0.00 H new ATOM 492 N SER A 34 -12.259 -2.710 1.788 1.00 0.00 N ATOM 493 CA SER A 34 -12.831 -2.193 3.013 1.00 0.00 C ATOM 494 C SER A 34 -14.111 -1.413 2.727 1.00 0.00 C ATOM 495 O SER A 34 -14.068 -0.289 2.209 1.00 0.00 O ATOM 496 CB SER A 34 -11.807 -1.310 3.723 1.00 0.00 C ATOM 497 OG SER A 34 -10.492 -1.808 3.521 1.00 0.00 O ATOM 0 H SER A 34 -11.698 -2.034 1.270 1.00 0.00 H new ATOM 0 HA SER A 34 -13.090 -3.029 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.877 -0.289 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.028 -1.273 4.790 1.00 0.00 H new ATOM 0 HG SER A 34 -9.849 -1.229 3.981 1.00 0.00 H new ATOM 503 N TYR A 35 -15.240 -2.032 3.067 1.00 0.00 N ATOM 504 CA TYR A 35 -16.561 -1.441 2.891 1.00 0.00 C ATOM 505 C TYR A 35 -16.716 -0.104 3.640 1.00 0.00 C ATOM 506 O TYR A 35 -17.242 0.846 3.064 1.00 0.00 O ATOM 507 CB TYR A 35 -17.650 -2.466 3.276 1.00 0.00 C ATOM 508 CG TYR A 35 -18.392 -2.223 4.581 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.377 -1.244 4.668 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.095 -2.951 5.729 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.048 -1.007 5.851 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.765 -2.720 6.915 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.764 -1.810 6.970 1.00 0.00 C ATOM 514 OH TYR A 35 -20.411 -1.510 8.153 1.00 0.00 O ATOM 0 H TYR A 35 -15.261 -2.966 3.476 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.685 -1.193 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.383 -2.501 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.186 -3.451 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.621 -0.659 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.327 -3.710 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.781 -0.216 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.489 -3.269 7.803 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.129 -2.139 8.849 1.00 0.00 H new ATOM 524 N PRO A 36 -16.260 0.023 4.918 1.00 0.00 N ATOM 525 CA PRO A 36 -16.440 1.265 5.675 1.00 0.00 C ATOM 526 C PRO A 36 -15.373 2.310 5.345 1.00 0.00 C ATOM 527 O PRO A 36 -15.419 3.442 5.829 1.00 0.00 O ATOM 528 CB PRO A 36 -16.309 0.796 7.122 1.00 0.00 C ATOM 529 CG PRO A 36 -15.345 -0.337 7.061 1.00 0.00 C ATOM 530 CD PRO A 36 -15.545 -0.997 5.723 1.00 0.00 C ATOM 0 HA PRO A 36 -17.386 1.757 5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.942 1.595 7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.271 0.478 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.320 0.019 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.524 -1.043 7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.593 -1.269 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.128 -1.913 5.814 1.00 0.00 H new ATOM 538 N LYS A 37 -14.408 1.920 4.524 1.00 0.00 N ATOM 539 CA LYS A 37 -13.348 2.826 4.111 1.00 0.00 C ATOM 540 C LYS A 37 -13.565 3.270 2.670 1.00 0.00 C ATOM 541 O LYS A 37 -13.172 4.367 2.278 1.00 0.00 O ATOM 542 CB LYS A 37 -11.989 2.144 4.255 1.00 0.00 C ATOM 543 CG LYS A 37 -10.986 2.939 5.078 1.00 0.00 C ATOM 544 CD LYS A 37 -9.700 2.159 5.292 1.00 0.00 C ATOM 545 CE LYS A 37 -9.646 1.539 6.679 1.00 0.00 C ATOM 546 NZ LYS A 37 -8.358 1.816 7.369 1.00 0.00 N ATOM 0 H LYS A 37 -14.338 0.981 4.131 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.369 3.706 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.131 1.167 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.573 1.970 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.763 3.879 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.425 3.192 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.620 1.375 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.845 2.821 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.469 1.926 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.789 0.461 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.366 1.374 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.573 1.424 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.232 2.843 7.470 1.00 0.00 H new ATOM 560 N GLY A 38 -14.208 2.406 1.891 1.00 0.00 N ATOM 561 CA GLY A 38 -14.429 2.687 0.488 1.00 0.00 C ATOM 562 C GLY A 38 -13.178 2.450 -0.330 1.00 0.00 C ATOM 563 O GLY A 38 -13.040 2.964 -1.441 1.00 0.00 O ATOM 0 H GLY A 38 -14.581 1.512 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.235 2.057 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.752 3.721 0.370 1.00 0.00 H new ATOM 567 N THR A 39 -12.268 1.659 0.220 1.00 0.00 N ATOM 568 CA THR A 39 -10.980 1.431 -0.420 1.00 0.00 C ATOM 569 C THR A 39 -10.681 -0.059 -0.537 1.00 0.00 C ATOM 570 O THR A 39 -11.137 -0.860 0.274 1.00 0.00 O ATOM 571 CB THR A 39 -9.845 2.121 0.361 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.319 2.516 1.655 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.333 3.348 -0.383 1.00 0.00 C ATOM 0 H THR A 39 -12.396 1.166 1.104 1.00 0.00 H new ATOM 0 HA THR A 39 -11.036 1.860 -1.420 1.00 0.00 H new ATOM 0 HB THR A 39 -9.025 1.411 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.594 2.953 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.533 3.814 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.952 3.049 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.148 4.060 -0.514 1.00 0.00 H new ATOM 581 N ALA A 40 -9.920 -0.419 -1.552 1.00 0.00 N ATOM 582 CA ALA A 40 -9.558 -1.805 -1.782 1.00 0.00 C ATOM 583 C ALA A 40 -8.066 -2.005 -1.570 1.00 0.00 C ATOM 584 O ALA A 40 -7.251 -1.485 -2.329 1.00 0.00 O ATOM 585 CB ALA A 40 -9.954 -2.233 -3.186 1.00 0.00 C ATOM 0 H ALA A 40 -9.538 0.234 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.097 -2.425 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.675 -3.275 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.031 -2.124 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.440 -1.607 -3.916 1.00 0.00 H new ATOM 591 N GLN A 41 -7.714 -2.749 -0.538 1.00 0.00 N ATOM 592 CA GLN A 41 -6.316 -3.021 -0.244 1.00 0.00 C ATOM 593 C GLN A 41 -5.922 -4.363 -0.839 1.00 0.00 C ATOM 594 O GLN A 41 -6.253 -5.419 -0.298 1.00 0.00 O ATOM 595 CB GLN A 41 -6.068 -3.009 1.264 1.00 0.00 C ATOM 596 CG GLN A 41 -5.110 -1.918 1.712 1.00 0.00 C ATOM 597 CD GLN A 41 -4.983 -1.836 3.218 1.00 0.00 C ATOM 598 OE1 GLN A 41 -5.330 -0.825 3.829 1.00 0.00 O ATOM 599 NE2 GLN A 41 -4.485 -2.899 3.829 1.00 0.00 N ATOM 0 H GLN A 41 -8.375 -3.176 0.111 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.702 -2.239 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.020 -2.880 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.670 -3.978 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.127 -2.102 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.454 -0.958 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.209 -3.717 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.377 -2.900 4.843 1.00 0.00 H new ATOM 608 N LEU A 42 -5.222 -4.320 -1.956 1.00 0.00 N ATOM 609 CA LEU A 42 -4.918 -5.525 -2.698 1.00 0.00 C ATOM 610 C LEU A 42 -3.416 -5.753 -2.795 1.00 0.00 C ATOM 611 O LEU A 42 -2.645 -4.824 -3.041 1.00 0.00 O ATOM 612 CB LEU A 42 -5.532 -5.453 -4.099 1.00 0.00 C ATOM 613 CG LEU A 42 -5.044 -4.293 -4.971 1.00 0.00 C ATOM 614 CD1 LEU A 42 -4.746 -4.778 -6.378 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.074 -3.173 -4.999 1.00 0.00 C ATOM 0 H LEU A 42 -4.854 -3.463 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.352 -6.368 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.322 -6.388 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.615 -5.380 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.124 -3.900 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.400 -3.942 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.972 -5.545 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.651 -5.196 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.708 -2.358 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.011 -3.551 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.241 -2.807 -3.986 1.00 0.00 H new ATOM 627 N ALA A 43 -3.016 -6.994 -2.586 1.00 0.00 N ATOM 628 CA ALA A 43 -1.631 -7.390 -2.739 1.00 0.00 C ATOM 629 C ALA A 43 -1.424 -7.981 -4.124 1.00 0.00 C ATOM 630 O ALA A 43 -1.917 -9.073 -4.427 1.00 0.00 O ATOM 631 CB ALA A 43 -1.238 -8.388 -1.659 1.00 0.00 C ATOM 0 H ALA A 43 -3.640 -7.751 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.992 -6.513 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.194 -8.674 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.369 -7.932 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.869 -9.274 -1.735 1.00 0.00 H new ATOM 637 N ILE A 44 -0.728 -7.243 -4.969 1.00 0.00 N ATOM 638 CA ILE A 44 -0.494 -7.666 -6.342 1.00 0.00 C ATOM 639 C ILE A 44 0.937 -8.142 -6.523 1.00 0.00 C ATOM 640 O ILE A 44 1.788 -7.924 -5.661 1.00 0.00 O ATOM 641 CB ILE A 44 -0.766 -6.526 -7.350 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.632 -5.156 -6.676 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.144 -6.682 -7.968 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.030 -4.115 -7.550 1.00 0.00 C ATOM 0 H ILE A 44 -0.312 -6.343 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.187 -8.484 -6.539 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.020 -6.588 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.623 -4.802 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.056 -5.267 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.319 -5.871 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.203 -7.637 -8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.900 -6.649 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.091 -3.171 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.034 -4.447 -7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.557 -3.975 -8.458 1.00 0.00 H new ATOM 656 N VAL A 45 1.190 -8.809 -7.636 1.00 0.00 N ATOM 657 CA VAL A 45 2.542 -9.190 -7.999 1.00 0.00 C ATOM 658 C VAL A 45 3.243 -8.007 -8.659 1.00 0.00 C ATOM 659 O VAL A 45 2.720 -7.436 -9.620 1.00 0.00 O ATOM 660 CB VAL A 45 2.552 -10.399 -8.959 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.978 -10.818 -9.289 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.781 -11.564 -8.358 1.00 0.00 C ATOM 0 H VAL A 45 0.475 -9.098 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 45 3.069 -9.478 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 45 2.062 -10.100 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.959 -11.671 -9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.500 -9.988 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.497 -11.095 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.799 -12.407 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.242 -11.858 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.749 -11.263 -8.179 1.00 0.00 H new ATOM 672 N PRO A 46 4.414 -7.606 -8.134 1.00 0.00 N ATOM 673 CA PRO A 46 5.184 -6.475 -8.667 1.00 0.00 C ATOM 674 C PRO A 46 5.418 -6.592 -10.169 1.00 0.00 C ATOM 675 O PRO A 46 6.162 -7.461 -10.635 1.00 0.00 O ATOM 676 CB PRO A 46 6.505 -6.554 -7.902 1.00 0.00 C ATOM 677 CG PRO A 46 6.158 -7.235 -6.625 1.00 0.00 C ATOM 678 CD PRO A 46 5.076 -8.219 -6.969 1.00 0.00 C ATOM 0 HA PRO A 46 4.663 -5.526 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.254 -7.116 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.919 -5.562 -7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.026 -7.740 -6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.813 -6.518 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.487 -9.200 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.382 -8.359 -6.140 1.00 0.00 H new ATOM 686 N GLY A 47 4.768 -5.719 -10.920 1.00 0.00 N ATOM 687 CA GLY A 47 4.836 -5.778 -12.363 1.00 0.00 C ATOM 688 C GLY A 47 3.470 -5.613 -12.992 1.00 0.00 C ATOM 689 O GLY A 47 3.336 -5.041 -14.076 1.00 0.00 O ATOM 0 H GLY A 47 4.189 -4.964 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.502 -4.997 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.265 -6.732 -12.669 1.00 0.00 H new ATOM 693 N THR A 48 2.451 -6.117 -12.310 1.00 0.00 N ATOM 694 CA THR A 48 1.078 -5.968 -12.767 1.00 0.00 C ATOM 695 C THR A 48 0.626 -4.523 -12.626 1.00 0.00 C ATOM 696 O THR A 48 0.814 -3.904 -11.580 1.00 0.00 O ATOM 697 CB THR A 48 0.130 -6.892 -11.982 1.00 0.00 C ATOM 698 OG1 THR A 48 0.867 -8.006 -11.455 1.00 0.00 O ATOM 699 CG2 THR A 48 -0.993 -7.398 -12.874 1.00 0.00 C ATOM 0 H THR A 48 2.551 -6.634 -11.436 1.00 0.00 H new ATOM 0 HA THR A 48 1.043 -6.252 -13.819 1.00 0.00 H new ATOM 0 HB THR A 48 -0.309 -6.322 -11.163 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.233 -7.770 -10.577 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.650 -8.049 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.564 -6.552 -13.255 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.571 -7.957 -13.709 1.00 0.00 H new ATOM 707 N SER A 49 0.041 -3.988 -13.686 1.00 0.00 N ATOM 708 CA SER A 49 -0.335 -2.591 -13.724 1.00 0.00 C ATOM 709 C SER A 49 -1.571 -2.317 -12.870 1.00 0.00 C ATOM 710 O SER A 49 -2.655 -2.838 -13.140 1.00 0.00 O ATOM 711 CB SER A 49 -0.588 -2.181 -15.172 1.00 0.00 C ATOM 712 OG SER A 49 -0.525 -3.308 -16.037 1.00 0.00 O ATOM 0 H SER A 49 -0.183 -4.507 -14.535 1.00 0.00 H new ATOM 0 HA SER A 49 0.482 -2.000 -13.309 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.567 -1.708 -15.255 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.151 -1.440 -15.479 1.00 0.00 H new ATOM 0 HG SER A 49 -1.330 -3.854 -15.922 1.00 0.00 H new ATOM 718 N PRO A 50 -1.427 -1.491 -11.823 1.00 0.00 N ATOM 719 CA PRO A 50 -2.528 -1.156 -10.925 1.00 0.00 C ATOM 720 C PRO A 50 -3.523 -0.206 -11.572 1.00 0.00 C ATOM 721 O PRO A 50 -4.704 -0.188 -11.219 1.00 0.00 O ATOM 722 CB PRO A 50 -1.844 -0.494 -9.718 1.00 0.00 C ATOM 723 CG PRO A 50 -0.374 -0.670 -9.933 1.00 0.00 C ATOM 724 CD PRO A 50 -0.181 -0.832 -11.413 1.00 0.00 C ATOM 0 HA PRO A 50 -3.109 -2.037 -10.652 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.105 0.562 -9.652 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.161 -0.960 -8.785 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.179 0.192 -9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.004 -1.543 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.045 0.127 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.695 -1.438 -11.645 1.00 0.00 H new ATOM 732 N ASP A 51 -3.057 0.556 -12.551 1.00 0.00 N ATOM 733 CA ASP A 51 -3.929 1.474 -13.261 1.00 0.00 C ATOM 734 C ASP A 51 -4.846 0.674 -14.164 1.00 0.00 C ATOM 735 O ASP A 51 -5.915 1.134 -14.559 1.00 0.00 O ATOM 736 CB ASP A 51 -3.119 2.473 -14.088 1.00 0.00 C ATOM 737 CG ASP A 51 -3.705 3.872 -14.044 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.576 4.186 -14.881 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.290 4.667 -13.178 1.00 0.00 O ATOM 0 H ASP A 51 -2.088 0.556 -12.868 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.516 2.040 -12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.094 2.500 -13.718 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.076 2.133 -15.123 1.00 0.00 H new ATOM 744 N ALA A 52 -4.423 -0.552 -14.456 1.00 0.00 N ATOM 745 CA ALA A 52 -5.189 -1.436 -15.313 1.00 0.00 C ATOM 746 C ALA A 52 -6.364 -2.011 -14.547 1.00 0.00 C ATOM 747 O ALA A 52 -7.457 -2.160 -15.082 1.00 0.00 O ATOM 748 CB ALA A 52 -4.312 -2.547 -15.868 1.00 0.00 C ATOM 0 H ALA A 52 -3.551 -0.952 -14.109 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.569 -0.859 -16.156 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.909 -3.197 -16.508 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.499 -2.113 -16.450 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.898 -3.129 -15.045 1.00 0.00 H new ATOM 754 N LEU A 53 -6.126 -2.320 -13.282 1.00 0.00 N ATOM 755 CA LEU A 53 -7.177 -2.810 -12.406 1.00 0.00 C ATOM 756 C LEU A 53 -8.176 -1.692 -12.147 1.00 0.00 C ATOM 757 O LEU A 53 -9.388 -1.901 -12.179 1.00 0.00 O ATOM 758 CB LEU A 53 -6.578 -3.317 -11.092 1.00 0.00 C ATOM 759 CG LEU A 53 -5.359 -4.231 -11.252 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.490 -4.182 -10.006 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.794 -5.658 -11.549 1.00 0.00 C ATOM 0 H LEU A 53 -5.211 -2.240 -12.838 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.692 -3.643 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.293 -2.459 -10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.349 -3.856 -10.542 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.769 -3.873 -12.096 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.629 -4.837 -10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.147 -3.160 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.070 -4.513 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.914 -6.291 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.408 -6.029 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.373 -5.677 -12.473 1.00 0.00 H new ATOM 773 N THR A 54 -7.646 -0.496 -11.920 1.00 0.00 N ATOM 774 CA THR A 54 -8.465 0.695 -11.779 1.00 0.00 C ATOM 775 C THR A 54 -9.341 0.891 -13.018 1.00 0.00 C ATOM 776 O THR A 54 -10.555 1.082 -12.915 1.00 0.00 O ATOM 777 CB THR A 54 -7.584 1.945 -11.572 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.582 1.688 -10.577 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.419 3.141 -11.150 1.00 0.00 C ATOM 0 H THR A 54 -6.644 -0.328 -11.830 1.00 0.00 H new ATOM 0 HA THR A 54 -9.101 0.561 -10.904 1.00 0.00 H new ATOM 0 HB THR A 54 -7.104 2.174 -12.523 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.877 1.126 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.771 4.007 -11.012 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.157 3.360 -11.922 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.929 2.916 -10.213 1.00 0.00 H new ATOM 787 N ALA A 55 -8.715 0.815 -14.192 1.00 0.00 N ATOM 788 CA ALA A 55 -9.433 0.965 -15.452 1.00 0.00 C ATOM 789 C ALA A 55 -10.406 -0.186 -15.673 1.00 0.00 C ATOM 790 O ALA A 55 -11.437 -0.021 -16.318 1.00 0.00 O ATOM 791 CB ALA A 55 -8.457 1.068 -16.613 1.00 0.00 C ATOM 0 H ALA A 55 -7.714 0.651 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.011 1.887 -15.400 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.011 1.179 -17.545 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.811 1.934 -16.469 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.849 0.165 -16.658 1.00 0.00 H new ATOM 797 N ALA A 56 -10.064 -1.356 -15.156 1.00 0.00 N ATOM 798 CA ALA A 56 -10.958 -2.505 -15.221 1.00 0.00 C ATOM 799 C ALA A 56 -12.225 -2.251 -14.412 1.00 0.00 C ATOM 800 O ALA A 56 -13.331 -2.507 -14.886 1.00 0.00 O ATOM 801 CB ALA A 56 -10.259 -3.764 -14.731 1.00 0.00 C ATOM 0 H ALA A 56 -9.176 -1.536 -14.687 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.239 -2.653 -16.264 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.946 -4.608 -14.789 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.387 -3.962 -15.355 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.942 -3.625 -13.698 1.00 0.00 H new ATOM 807 N VAL A 57 -12.062 -1.734 -13.197 1.00 0.00 N ATOM 808 CA VAL A 57 -13.204 -1.423 -12.347 1.00 0.00 C ATOM 809 C VAL A 57 -14.011 -0.260 -12.926 1.00 0.00 C ATOM 810 O VAL A 57 -15.241 -0.315 -12.978 1.00 0.00 O ATOM 811 CB VAL A 57 -12.774 -1.094 -10.903 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.989 -0.859 -10.016 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.907 -2.206 -10.331 1.00 0.00 C ATOM 0 H VAL A 57 -11.154 -1.523 -12.782 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.831 -2.314 -12.317 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.185 -0.177 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.661 -0.629 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.570 -0.024 -10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.608 -1.756 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.615 -1.952 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.469 -3.140 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.014 -2.324 -10.945 1.00 0.00 H new ATOM 823 N ALA A 58 -13.319 0.788 -13.370 1.00 0.00 N ATOM 824 CA ALA A 58 -13.978 1.916 -14.020 1.00 0.00 C ATOM 825 C ALA A 58 -14.701 1.468 -15.287 1.00 0.00 C ATOM 826 O ALA A 58 -15.818 1.904 -15.572 1.00 0.00 O ATOM 827 CB ALA A 58 -12.968 3.008 -14.336 1.00 0.00 C ATOM 0 H ALA A 58 -12.306 0.878 -13.291 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.722 2.320 -13.333 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.474 3.843 -14.821 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.503 3.352 -13.412 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.201 2.613 -15.002 1.00 0.00 H new ATOM 833 N GLY A 59 -14.064 0.573 -16.026 1.00 0.00 N ATOM 834 CA GLY A 59 -14.643 0.056 -17.250 1.00 0.00 C ATOM 835 C GLY A 59 -15.795 -0.891 -16.988 1.00 0.00 C ATOM 836 O GLY A 59 -16.559 -1.221 -17.898 1.00 0.00 O ATOM 0 H GLY A 59 -13.146 0.191 -15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.992 0.887 -17.863 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.873 -0.462 -17.822 1.00 0.00 H new ATOM 840 N LEU A 60 -15.926 -1.322 -15.739 1.00 0.00 N ATOM 841 CA LEU A 60 -17.015 -2.202 -15.335 1.00 0.00 C ATOM 842 C LEU A 60 -18.264 -1.390 -15.018 1.00 0.00 C ATOM 843 O LEU A 60 -19.242 -1.906 -14.479 1.00 0.00 O ATOM 844 CB LEU A 60 -16.603 -3.034 -14.118 1.00 0.00 C ATOM 845 CG LEU A 60 -16.343 -4.519 -14.385 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.348 -5.073 -13.377 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.644 -5.307 -14.336 1.00 0.00 C ATOM 0 H LEU A 60 -15.286 -1.074 -14.984 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.238 -2.877 -16.161 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.700 -2.597 -13.691 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.385 -2.951 -13.363 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.918 -4.620 -15.383 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.174 -6.130 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.407 -4.528 -13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.749 -4.959 -12.370 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.439 -6.360 -14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.098 -5.199 -13.351 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.329 -4.927 -15.094 1.00 0.00 H new ATOM 859 N GLY A 61 -18.216 -0.114 -15.356 1.00 0.00 N ATOM 860 CA GLY A 61 -19.347 0.765 -15.136 1.00 0.00 C ATOM 861 C GLY A 61 -19.218 1.567 -13.858 1.00 0.00 C ATOM 862 O GLY A 61 -19.889 2.588 -13.683 1.00 0.00 O ATOM 0 H GLY A 61 -17.406 0.335 -15.783 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.443 1.447 -15.981 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.261 0.173 -15.099 1.00 0.00 H new ATOM 866 N TYR A 62 -18.343 1.116 -12.972 1.00 0.00 N ATOM 867 CA TYR A 62 -18.151 1.773 -11.687 1.00 0.00 C ATOM 868 C TYR A 62 -17.101 2.867 -11.810 1.00 0.00 C ATOM 869 O TYR A 62 -16.543 3.083 -12.886 1.00 0.00 O ATOM 870 CB TYR A 62 -17.717 0.771 -10.612 1.00 0.00 C ATOM 871 CG TYR A 62 -18.255 -0.635 -10.798 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.608 -0.851 -11.034 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.414 -1.741 -10.752 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.106 -2.126 -11.212 1.00 0.00 C ATOM 875 CE2 TYR A 62 -17.907 -3.019 -10.930 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.231 -3.219 -11.116 1.00 0.00 C ATOM 877 OH TYR A 62 -19.748 -4.477 -11.338 1.00 0.00 O ATOM 0 H TYR A 62 -17.754 0.297 -13.119 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.104 2.210 -11.390 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.628 0.729 -10.593 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.038 1.142 -9.639 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.281 -0.007 -11.079 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.358 -1.599 -10.574 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.154 -2.280 -11.422 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.232 -3.862 -10.921 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.972 -4.576 -12.287 1.00 0.00 H new ATOM 887 N LYS A 63 -16.821 3.543 -10.710 1.00 0.00 N ATOM 888 CA LYS A 63 -15.827 4.600 -10.707 1.00 0.00 C ATOM 889 C LYS A 63 -14.693 4.227 -9.772 1.00 0.00 C ATOM 890 O LYS A 63 -14.825 4.315 -8.553 1.00 0.00 O ATOM 891 CB LYS A 63 -16.454 5.930 -10.281 1.00 0.00 C ATOM 892 CG LYS A 63 -16.482 6.969 -11.391 1.00 0.00 C ATOM 893 CD LYS A 63 -15.575 8.148 -11.079 1.00 0.00 C ATOM 894 CE LYS A 63 -14.146 7.884 -11.528 1.00 0.00 C ATOM 895 NZ LYS A 63 -13.581 9.030 -12.285 1.00 0.00 N ATOM 0 H LYS A 63 -17.268 3.379 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.435 4.720 -11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.472 5.749 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.898 6.330 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.171 6.508 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.503 7.323 -11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.954 9.042 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.590 8.347 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.523 7.683 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.121 6.990 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.606 8.809 -12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.160 9.207 -13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.581 9.878 -11.683 1.00 0.00 H new ATOM 909 N ALA A 64 -13.590 3.774 -10.334 1.00 0.00 N ATOM 910 CA ALA A 64 -12.452 3.389 -9.525 1.00 0.00 C ATOM 911 C ALA A 64 -11.363 4.445 -9.569 1.00 0.00 C ATOM 912 O ALA A 64 -11.181 5.132 -10.573 1.00 0.00 O ATOM 913 CB ALA A 64 -11.904 2.049 -9.982 1.00 0.00 C ATOM 0 H ALA A 64 -13.458 3.664 -11.339 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.792 3.297 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.049 1.775 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.679 1.288 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.590 2.120 -11.023 1.00 0.00 H new ATOM 919 N THR A 65 -10.662 4.573 -8.462 1.00 0.00 N ATOM 920 CA THR A 65 -9.498 5.431 -8.375 1.00 0.00 C ATOM 921 C THR A 65 -8.434 4.719 -7.550 1.00 0.00 C ATOM 922 O THR A 65 -8.464 3.496 -7.432 1.00 0.00 O ATOM 923 CB THR A 65 -9.843 6.792 -7.737 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.216 6.807 -7.326 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.592 7.927 -8.717 1.00 0.00 C ATOM 0 H THR A 65 -10.884 4.084 -7.595 1.00 0.00 H new ATOM 0 HA THR A 65 -9.129 5.630 -9.381 1.00 0.00 H new ATOM 0 HB THR A 65 -9.201 6.934 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.516 7.734 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.842 8.877 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.541 7.932 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.212 7.787 -9.602 1.00 0.00 H new ATOM 933 N LEU A 66 -7.520 5.462 -6.953 1.00 0.00 N ATOM 934 CA LEU A 66 -6.492 4.852 -6.127 1.00 0.00 C ATOM 935 C LEU A 66 -5.995 5.830 -5.081 1.00 0.00 C ATOM 936 O LEU A 66 -5.790 7.012 -5.359 1.00 0.00 O ATOM 937 CB LEU A 66 -5.319 4.351 -6.978 1.00 0.00 C ATOM 938 CG LEU A 66 -4.927 5.244 -8.158 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.613 5.955 -7.878 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.825 4.420 -9.432 1.00 0.00 C ATOM 0 H LEU A 66 -7.467 6.478 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.939 3.995 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.450 4.232 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.569 3.362 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.702 5.998 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.352 6.585 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.717 6.574 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.827 5.217 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.546 5.068 -10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.068 3.646 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.788 3.955 -9.643 1.00 0.00 H new ATOM 952 N ALA A 67 -5.823 5.334 -3.870 1.00 0.00 N ATOM 953 CA ALA A 67 -5.265 6.126 -2.794 1.00 0.00 C ATOM 954 C ALA A 67 -3.920 5.540 -2.415 1.00 0.00 C ATOM 955 O ALA A 67 -3.603 5.362 -1.238 1.00 0.00 O ATOM 956 CB ALA A 67 -6.211 6.149 -1.601 1.00 0.00 C ATOM 0 H ALA A 67 -6.064 4.378 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.131 7.157 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.775 6.749 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.165 6.583 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.372 5.132 -1.244 1.00 0.00 H new