USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 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 3 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.8) USER MOD Single : A 5 LYS NZ :NH3+ -104:sc= -0.296 (180deg=-1.92!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0917 USER MOD Single : A 11 CYS SG : rot 67:sc= 0.273 USER MOD Single : A 13 SER OG : rot -33:sc= 1.07 USER MOD Single : A 14 CYS SG : rot 140:sc= -0.0649 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 1.03 (180deg=-1.34!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.6!) USER MOD Single : A 30 SER OG : rot 6:sc= 1.06 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= -0.0178 USER MOD Single : A 41 GLN : amide:sc= -0.0908 K(o=-0.091,f=-0.71) USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 49 SER OG : rot 180:sc= -0.146 USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.277 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.398 1.009 -1.331 1.00 0.00 N ATOM 35 CA HIS A 3 -3.499 1.899 -1.003 1.00 0.00 C ATOM 36 C HIS A 3 -3.338 3.245 -1.711 1.00 0.00 C ATOM 37 O HIS A 3 -2.338 3.944 -1.546 1.00 0.00 O ATOM 38 CB HIS A 3 -3.665 2.047 0.528 1.00 0.00 C ATOM 39 CG HIS A 3 -2.831 3.108 1.199 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.211 4.433 1.268 1.00 0.00 N ATOM 41 CD2 HIS A 3 -1.659 3.024 1.874 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.315 5.111 1.956 1.00 0.00 C ATOM 43 NE2 HIS A 3 -1.363 4.285 2.338 1.00 0.00 N ATOM 0 HA HIS A 3 -4.424 1.454 -1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.714 2.255 0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.432 1.088 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.067 2.133 2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.355 6.169 2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.542 4.538 2.887 1.00 0.00 H new ATOM 52 N LEU A 4 -4.319 3.580 -2.531 1.00 0.00 N ATOM 53 CA LEU A 4 -4.312 4.837 -3.262 1.00 0.00 C ATOM 54 C LEU A 4 -5.315 5.798 -2.645 1.00 0.00 C ATOM 55 O LEU A 4 -6.269 5.375 -1.991 1.00 0.00 O ATOM 56 CB LEU A 4 -4.641 4.613 -4.740 1.00 0.00 C ATOM 57 CG LEU A 4 -4.128 3.301 -5.340 1.00 0.00 C ATOM 58 CD1 LEU A 4 -4.765 3.049 -6.699 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.612 3.326 -5.464 1.00 0.00 C ATOM 0 H LEU A 4 -5.136 2.995 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.313 5.267 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.724 4.649 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.227 5.441 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.407 2.488 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.388 2.112 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.847 2.987 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.516 3.867 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.266 2.385 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.313 4.151 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.168 3.460 -4.477 1.00 0.00 H new ATOM 71 N LYS A 5 -5.091 7.082 -2.838 1.00 0.00 N ATOM 72 CA LYS A 5 -6.000 8.094 -2.326 1.00 0.00 C ATOM 73 C LYS A 5 -6.953 8.541 -3.427 1.00 0.00 C ATOM 74 O LYS A 5 -6.521 8.877 -4.531 1.00 0.00 O ATOM 75 CB LYS A 5 -5.217 9.291 -1.781 1.00 0.00 C ATOM 76 CG LYS A 5 -5.913 10.006 -0.633 1.00 0.00 C ATOM 77 CD LYS A 5 -5.638 11.501 -0.657 1.00 0.00 C ATOM 78 CE LYS A 5 -6.548 12.219 -1.641 1.00 0.00 C ATOM 79 NZ LYS A 5 -7.342 13.292 -0.983 1.00 0.00 N ATOM 0 H LYS A 5 -4.287 7.452 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.580 7.664 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.238 8.951 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.047 10.001 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.987 9.832 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.575 9.588 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.781 11.915 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.597 11.676 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.948 12.651 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.224 11.499 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.322 12.969 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.925 13.514 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.335 14.144 -1.579 1.00 0.00 H new ATOM 93 N ILE A 6 -8.242 8.538 -3.130 1.00 0.00 N ATOM 94 CA ILE A 6 -9.239 8.926 -4.111 1.00 0.00 C ATOM 95 C ILE A 6 -9.618 10.395 -3.931 1.00 0.00 C ATOM 96 O ILE A 6 -9.582 10.926 -2.819 1.00 0.00 O ATOM 97 CB ILE A 6 -10.496 8.021 -4.042 1.00 0.00 C ATOM 98 CG1 ILE A 6 -11.278 8.098 -5.355 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.384 8.389 -2.860 1.00 0.00 C ATOM 100 CD1 ILE A 6 -10.567 7.450 -6.525 1.00 0.00 C ATOM 0 H ILE A 6 -8.620 8.272 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.800 8.796 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.164 6.994 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.247 7.618 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.471 9.144 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.256 7.735 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.823 8.271 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.710 9.425 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.181 7.543 -7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.609 7.945 -6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.398 6.395 -6.309 1.00 0.00 H new ATOM 112 N THR A 7 -9.956 11.051 -5.028 1.00 0.00 N ATOM 113 CA THR A 7 -10.273 12.458 -5.019 1.00 0.00 C ATOM 114 C THR A 7 -11.328 12.741 -6.073 1.00 0.00 C ATOM 115 O THR A 7 -11.525 11.944 -6.992 1.00 0.00 O ATOM 116 CB THR A 7 -9.019 13.307 -5.302 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.900 12.447 -5.572 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.700 14.203 -4.117 1.00 0.00 C ATOM 0 H THR A 7 -10.017 10.617 -5.949 1.00 0.00 H new ATOM 0 HA THR A 7 -10.651 12.724 -4.032 1.00 0.00 H new ATOM 0 HB THR A 7 -9.215 13.935 -6.171 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.105 12.991 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.811 14.794 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.542 14.869 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.518 13.589 -3.235 1.00 0.00 H new ATOM 126 N GLY A 8 -12.015 13.853 -5.935 1.00 0.00 N ATOM 127 CA GLY A 8 -13.044 14.196 -6.884 1.00 0.00 C ATOM 128 C GLY A 8 -14.415 13.810 -6.379 1.00 0.00 C ATOM 129 O GLY A 8 -15.343 14.621 -6.378 1.00 0.00 O ATOM 0 H GLY A 8 -11.880 14.528 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.016 15.268 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.849 13.693 -7.831 1.00 0.00 H new ATOM 133 N MET A 9 -14.530 12.575 -5.917 1.00 0.00 N ATOM 134 CA MET A 9 -15.789 12.054 -5.408 1.00 0.00 C ATOM 135 C MET A 9 -15.519 10.947 -4.397 1.00 0.00 C ATOM 136 O MET A 9 -15.282 9.797 -4.761 1.00 0.00 O ATOM 137 CB MET A 9 -16.655 11.540 -6.560 1.00 0.00 C ATOM 138 CG MET A 9 -17.778 12.493 -6.947 1.00 0.00 C ATOM 139 SD MET A 9 -18.439 12.161 -8.594 1.00 0.00 S ATOM 140 CE MET A 9 -17.519 13.342 -9.576 1.00 0.00 C ATOM 0 H MET A 9 -13.758 11.909 -5.884 1.00 0.00 H new ATOM 0 HA MET A 9 -16.332 12.856 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.022 11.365 -7.430 1.00 0.00 H new ATOM 0 HB3 MET A 9 -17.085 10.579 -6.280 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.582 12.416 -6.215 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.409 13.518 -6.908 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.818 13.258 -10.621 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.726 14.351 -9.220 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.452 13.137 -9.486 1.00 0.00 H new ATOM 150 N THR A 10 -15.544 11.313 -3.125 1.00 0.00 N ATOM 151 CA THR A 10 -15.149 10.414 -2.049 1.00 0.00 C ATOM 152 C THR A 10 -16.330 9.618 -1.484 1.00 0.00 C ATOM 153 O THR A 10 -16.143 8.558 -0.889 1.00 0.00 O ATOM 154 CB THR A 10 -14.499 11.223 -0.915 1.00 0.00 C ATOM 155 OG1 THR A 10 -14.660 12.630 -1.174 1.00 0.00 O ATOM 156 CG2 THR A 10 -13.022 10.894 -0.790 1.00 0.00 C ATOM 0 H THR A 10 -15.837 12.237 -2.809 1.00 0.00 H new ATOM 0 HA THR A 10 -14.441 9.700 -2.470 1.00 0.00 H new ATOM 0 HB THR A 10 -14.990 10.960 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.247 13.145 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.586 11.480 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.903 9.832 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.515 11.134 -1.725 1.00 0.00 H new ATOM 164 N CYS A 11 -17.534 10.155 -1.646 1.00 0.00 N ATOM 165 CA CYS A 11 -18.752 9.554 -1.092 1.00 0.00 C ATOM 166 C CYS A 11 -19.001 8.110 -1.559 1.00 0.00 C ATOM 167 O CYS A 11 -18.482 7.670 -2.586 1.00 0.00 O ATOM 168 CB CYS A 11 -19.945 10.436 -1.426 1.00 0.00 C ATOM 169 SG CYS A 11 -19.486 12.075 -2.041 1.00 0.00 S ATOM 0 H CYS A 11 -17.698 11.018 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.613 9.493 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.558 9.935 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.562 10.551 -0.535 1.00 0.00 H new ATOM 0 HG CYS A 11 -18.909 11.958 -3.200 1.00 0.00 H new ATOM 174 N ASP A 12 -19.847 7.418 -0.787 1.00 0.00 N ATOM 175 CA ASP A 12 -20.127 5.977 -0.923 1.00 0.00 C ATOM 176 C ASP A 12 -20.333 5.500 -2.364 1.00 0.00 C ATOM 177 O ASP A 12 -19.709 4.530 -2.792 1.00 0.00 O ATOM 178 CB ASP A 12 -21.358 5.619 -0.067 1.00 0.00 C ATOM 179 CG ASP A 12 -22.279 4.587 -0.703 1.00 0.00 C ATOM 180 OD1 ASP A 12 -23.184 4.979 -1.475 1.00 0.00 O ATOM 181 OD2 ASP A 12 -22.110 3.379 -0.424 1.00 0.00 O ATOM 0 H ASP A 12 -20.372 7.853 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.236 5.457 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.019 5.242 0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.928 6.527 0.128 1.00 0.00 H new ATOM 186 N SER A 13 -21.202 6.165 -3.107 1.00 0.00 N ATOM 187 CA SER A 13 -21.625 5.654 -4.403 1.00 0.00 C ATOM 188 C SER A 13 -20.555 5.863 -5.469 1.00 0.00 C ATOM 189 O SER A 13 -20.467 5.099 -6.434 1.00 0.00 O ATOM 190 CB SER A 13 -22.937 6.317 -4.804 1.00 0.00 C ATOM 191 OG SER A 13 -23.725 6.585 -3.650 1.00 0.00 O ATOM 0 H SER A 13 -21.626 7.053 -2.839 1.00 0.00 H new ATOM 0 HA SER A 13 -21.778 4.578 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.735 7.245 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.487 5.669 -5.486 1.00 0.00 H new ATOM 0 HG SER A 13 -23.574 5.885 -2.981 1.00 0.00 H new ATOM 197 N CYS A 14 -19.741 6.886 -5.285 1.00 0.00 N ATOM 198 CA CYS A 14 -18.647 7.155 -6.198 1.00 0.00 C ATOM 199 C CYS A 14 -17.442 6.299 -5.833 1.00 0.00 C ATOM 200 O CYS A 14 -16.790 5.719 -6.707 1.00 0.00 O ATOM 201 CB CYS A 14 -18.301 8.637 -6.164 1.00 0.00 C ATOM 202 SG CYS A 14 -19.755 9.707 -6.042 1.00 0.00 S ATOM 0 H CYS A 14 -19.817 7.545 -4.510 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.948 6.898 -7.214 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.644 8.830 -5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.744 8.894 -7.065 1.00 0.00 H new ATOM 0 HG CYS A 14 -19.503 10.690 -5.230 1.00 0.00 H new ATOM 207 N ALA A 15 -17.174 6.187 -4.534 1.00 0.00 N ATOM 208 CA ALA A 15 -16.124 5.308 -4.032 1.00 0.00 C ATOM 209 C ALA A 15 -16.586 3.852 -4.076 1.00 0.00 C ATOM 210 O ALA A 15 -16.468 3.110 -3.104 1.00 0.00 O ATOM 211 CB ALA A 15 -15.729 5.706 -2.619 1.00 0.00 C ATOM 0 H ALA A 15 -17.674 6.698 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.247 5.409 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.945 5.040 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.362 6.732 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.597 5.631 -1.964 1.00 0.00 H new ATOM 217 N ALA A 16 -17.109 3.468 -5.226 1.00 0.00 N ATOM 218 CA ALA A 16 -17.633 2.138 -5.457 1.00 0.00 C ATOM 219 C ALA A 16 -17.752 1.921 -6.952 1.00 0.00 C ATOM 220 O ALA A 16 -17.469 0.838 -7.462 1.00 0.00 O ATOM 221 CB ALA A 16 -18.983 1.969 -4.784 1.00 0.00 C ATOM 0 H ALA A 16 -17.182 4.082 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.957 1.398 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.359 0.963 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.876 2.124 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.685 2.699 -5.188 1.00 0.00 H new ATOM 227 N HIS A 17 -18.160 2.976 -7.650 1.00 0.00 N ATOM 228 CA HIS A 17 -18.131 2.988 -9.107 1.00 0.00 C ATOM 229 C HIS A 17 -16.687 2.916 -9.582 1.00 0.00 C ATOM 230 O HIS A 17 -16.362 2.219 -10.544 1.00 0.00 O ATOM 231 CB HIS A 17 -18.795 4.254 -9.640 1.00 0.00 C ATOM 232 CG HIS A 17 -19.410 4.094 -10.997 1.00 0.00 C ATOM 233 ND1 HIS A 17 -20.767 4.177 -11.221 1.00 0.00 N ATOM 234 CD2 HIS A 17 -18.846 3.866 -12.208 1.00 0.00 C ATOM 235 CE1 HIS A 17 -21.011 4.009 -12.508 1.00 0.00 C ATOM 236 NE2 HIS A 17 -19.862 3.821 -13.127 1.00 0.00 N ATOM 0 H HIS A 17 -18.515 3.834 -7.229 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.681 2.126 -9.484 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.566 4.571 -8.938 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.053 5.052 -9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.792 3.743 -12.411 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.985 4.023 -12.974 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.748 3.667 -14.129 1.00 0.00 H new ATOM 245 N VAL A 18 -15.825 3.637 -8.877 1.00 0.00 N ATOM 246 CA VAL A 18 -14.393 3.602 -9.138 1.00 0.00 C ATOM 247 C VAL A 18 -13.852 2.205 -8.852 1.00 0.00 C ATOM 248 O VAL A 18 -13.032 1.680 -9.602 1.00 0.00 O ATOM 249 CB VAL A 18 -13.637 4.640 -8.278 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.131 4.482 -8.424 1.00 0.00 C ATOM 251 CG2 VAL A 18 -14.060 6.052 -8.656 1.00 0.00 C ATOM 0 H VAL A 18 -16.096 4.258 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.234 3.852 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.895 4.463 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.626 5.226 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.837 3.483 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.850 4.624 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.518 6.771 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.834 6.230 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.131 6.167 -8.491 1.00 0.00 H new ATOM 261 N LYS A 19 -14.343 1.604 -7.770 1.00 0.00 N ATOM 262 CA LYS A 19 -13.977 0.237 -7.414 1.00 0.00 C ATOM 263 C LYS A 19 -14.416 -0.725 -8.511 1.00 0.00 C ATOM 264 O LYS A 19 -13.705 -1.667 -8.839 1.00 0.00 O ATOM 265 CB LYS A 19 -14.617 -0.154 -6.075 1.00 0.00 C ATOM 266 CG LYS A 19 -14.409 -1.609 -5.692 1.00 0.00 C ATOM 267 CD LYS A 19 -15.641 -2.189 -5.012 1.00 0.00 C ATOM 268 CE LYS A 19 -16.621 -2.766 -6.022 1.00 0.00 C ATOM 269 NZ LYS A 19 -16.692 -4.248 -5.949 1.00 0.00 N ATOM 0 H LYS A 19 -14.997 2.045 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.893 0.180 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.207 0.480 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.687 0.049 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.176 -2.191 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.551 -1.692 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.338 -2.968 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.135 -1.412 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.612 -2.347 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.323 -2.467 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.416 -4.654 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.046 -4.591 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.664 -4.538 -5.721 1.00 0.00 H new ATOM 283 N GLU A 20 -15.586 -0.466 -9.079 1.00 0.00 N ATOM 284 CA GLU A 20 -16.108 -1.273 -10.176 1.00 0.00 C ATOM 285 C GLU A 20 -15.208 -1.152 -11.403 1.00 0.00 C ATOM 286 O GLU A 20 -14.816 -2.156 -12.008 1.00 0.00 O ATOM 287 CB GLU A 20 -17.526 -0.823 -10.523 1.00 0.00 C ATOM 288 CG GLU A 20 -18.493 -1.971 -10.753 1.00 0.00 C ATOM 289 CD GLU A 20 -19.057 -1.974 -12.158 1.00 0.00 C ATOM 290 OE1 GLU A 20 -19.954 -1.154 -12.449 1.00 0.00 O ATOM 291 OE2 GLU A 20 -18.603 -2.797 -12.979 1.00 0.00 O ATOM 0 H GLU A 20 -16.196 0.301 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.130 -2.317 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.906 -0.196 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.492 -0.204 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.983 -2.916 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.311 -1.904 -10.036 1.00 0.00 H new ATOM 298 N ALA A 21 -14.883 0.083 -11.767 1.00 0.00 N ATOM 299 CA ALA A 21 -13.996 0.340 -12.893 1.00 0.00 C ATOM 300 C ALA A 21 -12.625 -0.295 -12.668 1.00 0.00 C ATOM 301 O ALA A 21 -12.033 -0.856 -13.586 1.00 0.00 O ATOM 302 CB ALA A 21 -13.860 1.834 -13.124 1.00 0.00 C ATOM 0 H ALA A 21 -15.222 0.923 -11.297 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.433 -0.114 -13.782 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.194 2.012 -13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.840 2.260 -13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.448 2.304 -12.231 1.00 0.00 H new ATOM 308 N LEU A 22 -12.127 -0.199 -11.443 1.00 0.00 N ATOM 309 CA LEU A 22 -10.856 -0.811 -11.081 1.00 0.00 C ATOM 310 C LEU A 22 -10.945 -2.333 -11.151 1.00 0.00 C ATOM 311 O LEU A 22 -10.070 -2.990 -11.709 1.00 0.00 O ATOM 312 CB LEU A 22 -10.444 -0.370 -9.673 1.00 0.00 C ATOM 313 CG LEU A 22 -9.299 0.651 -9.601 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.108 1.375 -10.929 1.00 0.00 C ATOM 315 CD2 LEU A 22 -9.558 1.656 -8.487 1.00 0.00 C ATOM 0 H LEU A 22 -12.586 0.299 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.100 -0.481 -11.794 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.316 0.055 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.153 -1.254 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.381 0.105 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.289 2.089 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.873 0.650 -11.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.024 1.904 -11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.739 2.374 -8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.492 2.182 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.628 1.132 -7.534 1.00 0.00 H new ATOM 327 N GLU A 23 -12.023 -2.883 -10.604 1.00 0.00 N ATOM 328 CA GLU A 23 -12.211 -4.329 -10.562 1.00 0.00 C ATOM 329 C GLU A 23 -12.487 -4.896 -11.950 1.00 0.00 C ATOM 330 O GLU A 23 -12.349 -6.103 -12.169 1.00 0.00 O ATOM 331 CB GLU A 23 -13.357 -4.692 -9.620 1.00 0.00 C ATOM 332 CG GLU A 23 -12.894 -5.130 -8.239 1.00 0.00 C ATOM 333 CD GLU A 23 -14.038 -5.265 -7.257 1.00 0.00 C ATOM 334 OE1 GLU A 23 -15.172 -5.565 -7.691 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.820 -5.067 -6.045 1.00 0.00 O ATOM 0 H GLU A 23 -12.782 -2.348 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.286 -4.769 -10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.018 -3.831 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.945 -5.493 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.375 -6.085 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.174 -4.407 -7.855 1.00 0.00 H new ATOM 342 N LYS A 24 -12.878 -4.033 -12.886 1.00 0.00 N ATOM 343 CA LYS A 24 -13.073 -4.455 -14.268 1.00 0.00 C ATOM 344 C LYS A 24 -11.718 -4.693 -14.938 1.00 0.00 C ATOM 345 O LYS A 24 -11.635 -5.316 -15.999 1.00 0.00 O ATOM 346 CB LYS A 24 -13.905 -3.415 -15.042 1.00 0.00 C ATOM 347 CG LYS A 24 -13.098 -2.495 -15.949 1.00 0.00 C ATOM 348 CD LYS A 24 -13.327 -2.809 -17.420 1.00 0.00 C ATOM 349 CE LYS A 24 -12.024 -2.749 -18.205 1.00 0.00 C ATOM 350 NZ LYS A 24 -12.132 -3.424 -19.526 1.00 0.00 N ATOM 0 H LYS A 24 -13.064 -3.045 -12.713 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.628 -5.393 -14.277 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.645 -3.940 -15.647 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.454 -2.804 -14.325 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.372 -1.459 -15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.038 -2.594 -15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.769 -3.801 -17.518 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.040 -2.099 -17.839 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.739 -1.707 -18.353 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.230 -3.217 -17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.222 -3.358 -20.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.378 -4.425 -19.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.872 -2.962 -20.093 1.00 0.00 H new ATOM 364 N VAL A 25 -10.660 -4.201 -14.307 1.00 0.00 N ATOM 365 CA VAL A 25 -9.309 -4.449 -14.778 1.00 0.00 C ATOM 366 C VAL A 25 -8.835 -5.803 -14.254 1.00 0.00 C ATOM 367 O VAL A 25 -8.814 -6.035 -13.042 1.00 0.00 O ATOM 368 CB VAL A 25 -8.337 -3.337 -14.314 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.911 -3.624 -14.765 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.799 -1.978 -14.822 1.00 0.00 C ATOM 0 H VAL A 25 -10.714 -3.627 -13.466 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.318 -4.452 -15.868 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.343 -3.320 -13.224 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.253 -2.825 -14.423 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.579 -4.572 -14.342 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.878 -3.681 -15.853 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.104 -1.209 -14.486 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.830 -1.988 -15.912 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.794 -1.763 -14.432 1.00 0.00 H new ATOM 380 N PRO A 26 -8.434 -6.713 -15.157 1.00 0.00 N ATOM 381 CA PRO A 26 -8.075 -8.085 -14.800 1.00 0.00 C ATOM 382 C PRO A 26 -6.670 -8.207 -14.214 1.00 0.00 C ATOM 383 O PRO A 26 -5.898 -9.090 -14.585 1.00 0.00 O ATOM 384 CB PRO A 26 -8.176 -8.850 -16.131 1.00 0.00 C ATOM 385 CG PRO A 26 -8.628 -7.853 -17.153 1.00 0.00 C ATOM 386 CD PRO A 26 -8.318 -6.494 -16.597 1.00 0.00 C ATOM 0 HA PRO A 26 -8.730 -8.473 -14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.213 -9.281 -16.406 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -8.884 -9.675 -16.053 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.113 -8.010 -18.101 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.695 -7.957 -17.349 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.320 -6.158 -16.878 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.020 -5.740 -16.952 1.00 0.00 H new ATOM 394 N GLY A 27 -6.351 -7.297 -13.312 1.00 0.00 N ATOM 395 CA GLY A 27 -5.149 -7.403 -12.512 1.00 0.00 C ATOM 396 C GLY A 27 -5.497 -7.241 -11.051 1.00 0.00 C ATOM 397 O GLY A 27 -4.652 -7.370 -10.164 1.00 0.00 O ATOM 0 H GLY A 27 -6.915 -6.470 -13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.674 -8.370 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.432 -6.639 -12.812 1.00 0.00 H new ATOM 401 N VAL A 28 -6.769 -6.953 -10.820 1.00 0.00 N ATOM 402 CA VAL A 28 -7.297 -6.720 -9.492 1.00 0.00 C ATOM 403 C VAL A 28 -7.923 -7.988 -8.923 1.00 0.00 C ATOM 404 O VAL A 28 -8.788 -8.597 -9.556 1.00 0.00 O ATOM 405 CB VAL A 28 -8.361 -5.609 -9.534 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.041 -5.439 -8.181 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.744 -4.298 -9.994 1.00 0.00 C ATOM 0 H VAL A 28 -7.467 -6.875 -11.559 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.469 -6.416 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.125 -5.905 -10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.787 -4.647 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.527 -6.373 -7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.296 -5.176 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.511 -3.524 -10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.954 -4.005 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.324 -4.424 -10.992 1.00 0.00 H new ATOM 417 N GLN A 29 -7.487 -8.383 -7.737 1.00 0.00 N ATOM 418 CA GLN A 29 -8.080 -9.521 -7.053 1.00 0.00 C ATOM 419 C GLN A 29 -9.267 -9.053 -6.216 1.00 0.00 C ATOM 420 O GLN A 29 -10.326 -9.685 -6.209 1.00 0.00 O ATOM 421 CB GLN A 29 -7.042 -10.214 -6.167 1.00 0.00 C ATOM 422 CG GLN A 29 -7.603 -11.369 -5.355 1.00 0.00 C ATOM 423 CD GLN A 29 -7.321 -11.237 -3.871 1.00 0.00 C ATOM 424 OE1 GLN A 29 -6.412 -10.517 -3.459 1.00 0.00 O ATOM 425 NE2 GLN A 29 -8.102 -11.930 -3.058 1.00 0.00 N ATOM 0 H GLN A 29 -6.726 -7.933 -7.229 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.428 -10.240 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.231 -10.583 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.610 -9.480 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.680 -11.427 -5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.177 -12.304 -5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.845 -12.515 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.961 -11.879 -2.049 1.00 0.00 H new ATOM 434 N SER A 30 -9.081 -7.939 -5.516 1.00 0.00 N ATOM 435 CA SER A 30 -10.136 -7.337 -4.708 1.00 0.00 C ATOM 436 C SER A 30 -9.804 -5.874 -4.421 1.00 0.00 C ATOM 437 O SER A 30 -8.659 -5.451 -4.589 1.00 0.00 O ATOM 438 CB SER A 30 -10.314 -8.106 -3.393 1.00 0.00 C ATOM 439 OG SER A 30 -10.953 -9.353 -3.617 1.00 0.00 O ATOM 0 H SER A 30 -8.198 -7.429 -5.492 1.00 0.00 H new ATOM 0 HA SER A 30 -11.071 -7.387 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.342 -8.270 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.904 -7.511 -2.696 1.00 0.00 H new ATOM 0 HG SER A 30 -11.057 -9.499 -4.580 1.00 0.00 H new ATOM 445 N ALA A 31 -10.799 -5.104 -3.997 1.00 0.00 N ATOM 446 CA ALA A 31 -10.601 -3.690 -3.705 1.00 0.00 C ATOM 447 C ALA A 31 -11.401 -3.268 -2.477 1.00 0.00 C ATOM 448 O ALA A 31 -12.626 -3.403 -2.442 1.00 0.00 O ATOM 449 CB ALA A 31 -10.996 -2.842 -4.904 1.00 0.00 C ATOM 0 H ALA A 31 -11.752 -5.436 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.543 -3.534 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.843 -1.788 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.382 -3.117 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.046 -3.012 -5.140 1.00 0.00 H new ATOM 455 N LEU A 32 -10.704 -2.757 -1.475 1.00 0.00 N ATOM 456 CA LEU A 32 -11.338 -2.285 -0.256 1.00 0.00 C ATOM 457 C LEU A 32 -11.348 -0.764 -0.233 1.00 0.00 C ATOM 458 O LEU A 32 -10.411 -0.126 0.251 1.00 0.00 O ATOM 459 CB LEU A 32 -10.610 -2.831 0.976 1.00 0.00 C ATOM 460 CG LEU A 32 -10.963 -4.267 1.355 1.00 0.00 C ATOM 461 CD1 LEU A 32 -9.956 -4.821 2.346 1.00 0.00 C ATOM 462 CD2 LEU A 32 -12.369 -4.332 1.931 1.00 0.00 C ATOM 0 H LEU A 32 -9.689 -2.658 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.366 -2.647 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.536 -2.772 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.830 -2.183 1.825 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.929 -4.880 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.225 -5.845 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.962 -4.808 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.957 -4.208 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.606 -5.362 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.427 -3.705 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.083 -3.975 1.189 1.00 0.00 H new ATOM 474 N VAL A 33 -12.396 -0.190 -0.788 1.00 0.00 N ATOM 475 CA VAL A 33 -12.532 1.257 -0.852 1.00 0.00 C ATOM 476 C VAL A 33 -13.271 1.788 0.371 1.00 0.00 C ATOM 477 O VAL A 33 -14.420 1.423 0.624 1.00 0.00 O ATOM 478 CB VAL A 33 -13.274 1.704 -2.129 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.301 1.862 -3.287 1.00 0.00 C ATOM 480 CG2 VAL A 33 -14.383 0.724 -2.491 1.00 0.00 C ATOM 0 H VAL A 33 -13.172 -0.704 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.523 1.669 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.733 2.672 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.844 2.178 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.552 2.613 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.808 0.909 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.889 1.064 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.954 -0.263 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.101 0.668 -1.673 1.00 0.00 H new ATOM 490 N SER A 34 -12.600 2.635 1.132 1.00 0.00 N ATOM 491 CA SER A 34 -13.197 3.253 2.302 1.00 0.00 C ATOM 492 C SER A 34 -13.606 4.688 1.987 1.00 0.00 C ATOM 493 O SER A 34 -12.761 5.587 1.930 1.00 0.00 O ATOM 494 CB SER A 34 -12.208 3.214 3.468 1.00 0.00 C ATOM 495 OG SER A 34 -11.246 2.186 3.276 1.00 0.00 O ATOM 0 H SER A 34 -11.634 2.912 0.958 1.00 0.00 H new ATOM 0 HA SER A 34 -14.091 2.698 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.705 4.177 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.745 3.047 4.402 1.00 0.00 H new ATOM 0 HG SER A 34 -10.621 2.178 4.031 1.00 0.00 H new ATOM 501 N TYR A 35 -14.904 4.898 1.768 1.00 0.00 N ATOM 502 CA TYR A 35 -15.418 6.216 1.395 1.00 0.00 C ATOM 503 C TYR A 35 -15.153 7.273 2.477 1.00 0.00 C ATOM 504 O TYR A 35 -14.629 8.340 2.162 1.00 0.00 O ATOM 505 CB TYR A 35 -16.920 6.190 1.048 1.00 0.00 C ATOM 506 CG TYR A 35 -17.576 4.823 1.082 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.375 3.906 0.057 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.417 4.463 2.127 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.994 2.670 0.074 1.00 0.00 C ATOM 510 CE2 TYR A 35 -19.036 3.228 2.154 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.821 2.336 1.124 1.00 0.00 C ATOM 512 OH TYR A 35 -19.440 1.107 1.144 1.00 0.00 O ATOM 0 H TYR A 35 -15.618 4.173 1.842 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.867 6.496 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.447 6.844 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.052 6.612 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.725 4.163 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.590 5.161 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.830 1.970 -0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.684 2.963 2.976 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.987 1.029 1.953 1.00 0.00 H new ATOM 522 N PRO A 36 -15.485 7.011 3.768 1.00 0.00 N ATOM 523 CA PRO A 36 -15.299 7.999 4.844 1.00 0.00 C ATOM 524 C PRO A 36 -13.827 8.222 5.195 1.00 0.00 C ATOM 525 O PRO A 36 -13.508 8.875 6.188 1.00 0.00 O ATOM 526 CB PRO A 36 -16.039 7.389 6.045 1.00 0.00 C ATOM 527 CG PRO A 36 -16.823 6.244 5.499 1.00 0.00 C ATOM 528 CD PRO A 36 -16.072 5.768 4.294 1.00 0.00 C ATOM 0 HA PRO A 36 -15.675 8.978 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.337 7.054 6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.694 8.123 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.919 5.449 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.833 6.555 5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.306 5.038 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.731 5.292 3.568 1.00 0.00 H new ATOM 536 N LYS A 37 -12.935 7.693 4.373 1.00 0.00 N ATOM 537 CA LYS A 37 -11.506 7.860 4.588 1.00 0.00 C ATOM 538 C LYS A 37 -10.816 8.267 3.290 1.00 0.00 C ATOM 539 O LYS A 37 -9.635 8.616 3.283 1.00 0.00 O ATOM 540 CB LYS A 37 -10.896 6.560 5.123 1.00 0.00 C ATOM 541 CG LYS A 37 -9.950 6.770 6.295 1.00 0.00 C ATOM 542 CD LYS A 37 -10.249 5.809 7.433 1.00 0.00 C ATOM 543 CE LYS A 37 -10.243 6.521 8.774 1.00 0.00 C ATOM 544 NZ LYS A 37 -10.331 5.566 9.910 1.00 0.00 N ATOM 0 H LYS A 37 -13.176 7.143 3.549 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.356 8.649 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.700 5.891 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.358 6.062 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.921 6.632 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.035 7.796 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.221 5.342 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.508 5.009 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.332 7.112 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.081 7.217 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.324 6.092 10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.212 5.019 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.518 4.918 9.882 1.00 0.00 H new ATOM 558 N GLY A 38 -11.570 8.217 2.194 1.00 0.00 N ATOM 559 CA GLY A 38 -11.048 8.607 0.897 1.00 0.00 C ATOM 560 C GLY A 38 -9.872 7.763 0.456 1.00 0.00 C ATOM 561 O GLY A 38 -8.972 8.251 -0.229 1.00 0.00 O ATOM 0 H GLY A 38 -12.543 7.910 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.842 8.531 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.744 9.653 0.933 1.00 0.00 H new ATOM 565 N THR A 39 -9.874 6.495 0.834 1.00 0.00 N ATOM 566 CA THR A 39 -8.761 5.620 0.517 1.00 0.00 C ATOM 567 C THR A 39 -9.226 4.358 -0.200 1.00 0.00 C ATOM 568 O THR A 39 -10.282 3.808 0.108 1.00 0.00 O ATOM 569 CB THR A 39 -7.985 5.219 1.784 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.297 6.120 2.856 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.486 5.232 1.526 1.00 0.00 C ATOM 0 H THR A 39 -10.629 6.052 1.357 1.00 0.00 H new ATOM 0 HA THR A 39 -8.103 6.183 -0.145 1.00 0.00 H new ATOM 0 HB THR A 39 -8.282 4.208 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.801 5.857 3.659 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.958 4.945 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.248 4.526 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.177 6.234 1.227 1.00 0.00 H new ATOM 579 N ALA A 40 -8.433 3.916 -1.159 1.00 0.00 N ATOM 580 CA ALA A 40 -8.715 2.700 -1.896 1.00 0.00 C ATOM 581 C ALA A 40 -7.635 1.660 -1.629 1.00 0.00 C ATOM 582 O ALA A 40 -6.541 1.730 -2.192 1.00 0.00 O ATOM 583 CB ALA A 40 -8.813 3.000 -3.383 1.00 0.00 C ATOM 0 H ALA A 40 -7.577 4.390 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.671 2.298 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.025 2.079 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.615 3.717 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.869 3.419 -3.733 1.00 0.00 H new ATOM 589 N GLN A 41 -7.934 0.716 -0.750 1.00 0.00 N ATOM 590 CA GLN A 41 -7.007 -0.365 -0.442 1.00 0.00 C ATOM 591 C GLN A 41 -7.180 -1.483 -1.459 1.00 0.00 C ATOM 592 O GLN A 41 -8.039 -2.352 -1.309 1.00 0.00 O ATOM 593 CB GLN A 41 -7.248 -0.890 0.975 1.00 0.00 C ATOM 594 CG GLN A 41 -6.290 -1.998 1.389 1.00 0.00 C ATOM 595 CD GLN A 41 -5.302 -1.553 2.451 1.00 0.00 C ATOM 596 OE1 GLN A 41 -4.942 -0.379 2.532 1.00 0.00 O ATOM 597 NE2 GLN A 41 -4.857 -2.489 3.273 1.00 0.00 N ATOM 0 H GLN A 41 -8.814 0.676 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.986 0.013 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.159 -0.063 1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.271 -1.261 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.863 -2.846 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.743 -2.346 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.180 -3.451 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.191 -2.248 4.007 1.00 0.00 H new ATOM 606 N LEU A 42 -6.377 -1.450 -2.503 1.00 0.00 N ATOM 607 CA LEU A 42 -6.528 -2.393 -3.595 1.00 0.00 C ATOM 608 C LEU A 42 -5.617 -3.597 -3.426 1.00 0.00 C ATOM 609 O LEU A 42 -4.439 -3.464 -3.097 1.00 0.00 O ATOM 610 CB LEU A 42 -6.250 -1.710 -4.933 1.00 0.00 C ATOM 611 CG LEU A 42 -7.471 -1.058 -5.580 1.00 0.00 C ATOM 612 CD1 LEU A 42 -7.168 0.379 -5.965 1.00 0.00 C ATOM 613 CD2 LEU A 42 -7.925 -1.856 -6.792 1.00 0.00 C ATOM 0 H LEU A 42 -5.615 -0.783 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.559 -2.747 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.484 -0.949 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.839 -2.446 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.283 -1.052 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.050 0.826 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.896 0.945 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.340 0.399 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.796 -1.376 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.118 -1.897 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.187 -2.868 -6.484 1.00 0.00 H new ATOM 625 N ALA A 43 -6.180 -4.772 -3.652 1.00 0.00 N ATOM 626 CA ALA A 43 -5.424 -6.004 -3.625 1.00 0.00 C ATOM 627 C ALA A 43 -5.197 -6.475 -5.050 1.00 0.00 C ATOM 628 O ALA A 43 -5.934 -7.312 -5.572 1.00 0.00 O ATOM 629 CB ALA A 43 -6.154 -7.065 -2.815 1.00 0.00 C ATOM 0 H ALA A 43 -7.171 -4.894 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.461 -5.829 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.568 -7.984 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.290 -6.713 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.128 -7.259 -3.264 1.00 0.00 H new ATOM 635 N ILE A 44 -4.204 -5.887 -5.689 1.00 0.00 N ATOM 636 CA ILE A 44 -3.887 -6.206 -7.073 1.00 0.00 C ATOM 637 C ILE A 44 -2.760 -7.226 -7.158 1.00 0.00 C ATOM 638 O ILE A 44 -2.011 -7.426 -6.200 1.00 0.00 O ATOM 639 CB ILE A 44 -3.481 -4.946 -7.870 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.328 -4.215 -7.173 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.674 -4.017 -8.041 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.229 -3.778 -8.118 1.00 0.00 C ATOM 0 H ILE A 44 -3.598 -5.181 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.792 -6.627 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.142 -5.259 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.723 -3.339 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.902 -4.868 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.370 -3.135 -8.604 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.466 -4.537 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.042 -3.713 -7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.447 -3.268 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.807 -4.652 -8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.640 -3.099 -8.865 1.00 0.00 H new ATOM 654 N VAL A 45 -2.658 -7.876 -8.304 1.00 0.00 N ATOM 655 CA VAL A 45 -1.572 -8.803 -8.568 1.00 0.00 C ATOM 656 C VAL A 45 -0.277 -8.024 -8.773 1.00 0.00 C ATOM 657 O VAL A 45 -0.270 -7.014 -9.471 1.00 0.00 O ATOM 658 CB VAL A 45 -1.869 -9.666 -9.811 1.00 0.00 C ATOM 659 CG1 VAL A 45 -0.753 -10.668 -10.075 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.201 -10.385 -9.656 1.00 0.00 C ATOM 0 H VAL A 45 -3.321 -7.777 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.469 -9.469 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.928 -8.998 -10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.996 -11.259 -10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.183 -10.135 -10.241 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.646 -11.329 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.394 -10.989 -10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.166 -11.030 -8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.999 -9.652 -9.536 1.00 0.00 H new ATOM 670 N PRO A 46 0.830 -8.468 -8.148 1.00 0.00 N ATOM 671 CA PRO A 46 2.136 -7.793 -8.246 1.00 0.00 C ATOM 672 C PRO A 46 2.627 -7.617 -9.682 1.00 0.00 C ATOM 673 O PRO A 46 3.523 -6.812 -9.941 1.00 0.00 O ATOM 674 CB PRO A 46 3.075 -8.719 -7.473 1.00 0.00 C ATOM 675 CG PRO A 46 2.187 -9.450 -6.529 1.00 0.00 C ATOM 676 CD PRO A 46 0.891 -9.645 -7.261 1.00 0.00 C ATOM 0 HA PRO A 46 2.083 -6.778 -7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.594 -9.406 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.840 -8.154 -6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.623 -10.407 -6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.037 -8.881 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.883 -10.577 -7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.043 -9.680 -6.577 1.00 0.00 H new ATOM 684 N GLY A 47 2.047 -8.372 -10.610 1.00 0.00 N ATOM 685 CA GLY A 47 2.365 -8.197 -12.016 1.00 0.00 C ATOM 686 C GLY A 47 1.933 -6.833 -12.523 1.00 0.00 C ATOM 687 O GLY A 47 2.547 -6.266 -13.430 1.00 0.00 O ATOM 0 H GLY A 47 1.362 -9.102 -10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.438 -8.317 -12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.873 -8.975 -12.600 1.00 0.00 H new ATOM 691 N THR A 48 0.868 -6.313 -11.930 1.00 0.00 N ATOM 692 CA THR A 48 0.380 -4.979 -12.234 1.00 0.00 C ATOM 693 C THR A 48 1.101 -3.939 -11.402 1.00 0.00 C ATOM 694 O THR A 48 2.061 -4.249 -10.691 1.00 0.00 O ATOM 695 CB THR A 48 -1.138 -4.882 -11.985 1.00 0.00 C ATOM 696 OG1 THR A 48 -1.650 -6.159 -11.573 1.00 0.00 O ATOM 697 CG2 THR A 48 -1.867 -4.421 -13.237 1.00 0.00 C ATOM 0 H THR A 48 0.319 -6.805 -11.225 1.00 0.00 H new ATOM 0 HA THR A 48 0.578 -4.786 -13.288 1.00 0.00 H new ATOM 0 HB THR A 48 -1.306 -4.149 -11.196 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.440 -6.306 -10.627 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.936 -4.361 -13.034 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.498 -3.439 -13.532 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.690 -5.132 -14.044 1.00 0.00 H new ATOM 705 N SER A 49 0.627 -2.710 -11.470 1.00 0.00 N ATOM 706 CA SER A 49 1.248 -1.627 -10.749 1.00 0.00 C ATOM 707 C SER A 49 0.207 -0.578 -10.379 1.00 0.00 C ATOM 708 O SER A 49 -0.713 -0.305 -11.152 1.00 0.00 O ATOM 709 CB SER A 49 2.366 -0.987 -11.582 1.00 0.00 C ATOM 710 OG SER A 49 2.883 -1.891 -12.547 1.00 0.00 O ATOM 0 H SER A 49 -0.189 -2.441 -12.020 1.00 0.00 H new ATOM 0 HA SER A 49 1.687 -2.031 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.983 -0.098 -12.084 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.170 -0.659 -10.922 1.00 0.00 H new ATOM 0 HG SER A 49 3.592 -1.451 -13.061 1.00 0.00 H new ATOM 716 N PRO A 50 0.325 0.004 -9.174 1.00 0.00 N ATOM 717 CA PRO A 50 -0.636 0.992 -8.668 1.00 0.00 C ATOM 718 C PRO A 50 -0.738 2.228 -9.551 1.00 0.00 C ATOM 719 O PRO A 50 -1.783 2.880 -9.601 1.00 0.00 O ATOM 720 CB PRO A 50 -0.088 1.363 -7.286 1.00 0.00 C ATOM 721 CG PRO A 50 0.821 0.244 -6.913 1.00 0.00 C ATOM 722 CD PRO A 50 1.394 -0.271 -8.201 1.00 0.00 C ATOM 0 HA PRO A 50 -1.647 0.585 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.448 2.312 -7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.893 1.475 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.610 0.589 -6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.278 -0.541 -6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.320 0.241 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.623 -1.335 -8.144 1.00 0.00 H new ATOM 730 N ASP A 51 0.339 2.539 -10.254 1.00 0.00 N ATOM 731 CA ASP A 51 0.352 3.682 -11.158 1.00 0.00 C ATOM 732 C ASP A 51 -0.587 3.452 -12.334 1.00 0.00 C ATOM 733 O ASP A 51 -1.042 4.403 -12.963 1.00 0.00 O ATOM 734 CB ASP A 51 1.771 3.980 -11.666 1.00 0.00 C ATOM 735 CG ASP A 51 2.545 2.737 -12.065 1.00 0.00 C ATOM 736 OD1 ASP A 51 2.012 1.937 -12.862 1.00 0.00 O ATOM 737 OD2 ASP A 51 3.684 2.556 -11.596 1.00 0.00 O ATOM 0 H ASP A 51 1.215 2.018 -10.218 1.00 0.00 H new ATOM 0 HA ASP A 51 0.004 4.548 -10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.708 4.650 -12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.323 4.508 -10.889 1.00 0.00 H new ATOM 742 N ALA A 52 -0.890 2.190 -12.611 1.00 0.00 N ATOM 743 CA ALA A 52 -1.798 1.847 -13.701 1.00 0.00 C ATOM 744 C ALA A 52 -3.240 2.105 -13.293 1.00 0.00 C ATOM 745 O ALA A 52 -4.042 2.611 -14.075 1.00 0.00 O ATOM 746 CB ALA A 52 -1.618 0.394 -14.113 1.00 0.00 C ATOM 0 H ALA A 52 -0.522 1.388 -12.098 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.559 2.480 -14.556 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.304 0.159 -14.927 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.592 0.235 -14.446 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.828 -0.254 -13.262 1.00 0.00 H new ATOM 752 N LEU A 53 -3.552 1.771 -12.050 1.00 0.00 N ATOM 753 CA LEU A 53 -4.898 1.931 -11.523 1.00 0.00 C ATOM 754 C LEU A 53 -5.198 3.406 -11.328 1.00 0.00 C ATOM 755 O LEU A 53 -6.268 3.897 -11.687 1.00 0.00 O ATOM 756 CB LEU A 53 -5.042 1.185 -10.202 1.00 0.00 C ATOM 757 CG LEU A 53 -4.846 -0.324 -10.294 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.691 -0.767 -9.409 1.00 0.00 C ATOM 759 CD2 LEU A 53 -6.124 -1.045 -9.908 1.00 0.00 C ATOM 0 H LEU A 53 -2.885 1.384 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.610 1.513 -12.234 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.319 1.588 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.033 1.384 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.603 -0.581 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.566 -1.847 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.775 -0.271 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.903 -0.501 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.970 -2.122 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.395 -0.783 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.927 -0.749 -10.583 1.00 0.00 H new ATOM 771 N THR A 54 -4.220 4.106 -10.771 1.00 0.00 N ATOM 772 CA THR A 54 -4.307 5.542 -10.592 1.00 0.00 C ATOM 773 C THR A 54 -4.476 6.230 -11.943 1.00 0.00 C ATOM 774 O THR A 54 -5.271 7.157 -12.083 1.00 0.00 O ATOM 775 CB THR A 54 -3.051 6.079 -9.885 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.740 5.258 -8.750 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.253 7.512 -9.431 1.00 0.00 C ATOM 0 H THR A 54 -3.350 3.694 -10.433 1.00 0.00 H new ATOM 0 HA THR A 54 -5.175 5.758 -9.969 1.00 0.00 H new ATOM 0 HB THR A 54 -2.225 6.052 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.249 4.463 -9.046 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.350 7.867 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.463 8.141 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.092 7.559 -8.736 1.00 0.00 H new ATOM 785 N ALA A 55 -3.738 5.745 -12.935 1.00 0.00 N ATOM 786 CA ALA A 55 -3.825 6.271 -14.291 1.00 0.00 C ATOM 787 C ALA A 55 -5.190 5.980 -14.899 1.00 0.00 C ATOM 788 O ALA A 55 -5.737 6.795 -15.639 1.00 0.00 O ATOM 789 CB ALA A 55 -2.724 5.690 -15.166 1.00 0.00 C ATOM 0 H ALA A 55 -3.069 4.983 -12.824 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.694 7.352 -14.240 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.808 6.096 -16.174 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.752 5.952 -14.749 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.823 4.605 -15.203 1.00 0.00 H new ATOM 795 N ALA A 56 -5.728 4.810 -14.586 1.00 0.00 N ATOM 796 CA ALA A 56 -7.054 4.428 -15.051 1.00 0.00 C ATOM 797 C ALA A 56 -8.110 5.356 -14.469 1.00 0.00 C ATOM 798 O ALA A 56 -8.986 5.830 -15.183 1.00 0.00 O ATOM 799 CB ALA A 56 -7.355 2.979 -14.693 1.00 0.00 C ATOM 0 H ALA A 56 -5.265 4.107 -14.010 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.076 4.520 -16.137 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.351 2.715 -15.050 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.617 2.328 -15.161 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.313 2.855 -13.611 1.00 0.00 H new ATOM 805 N VAL A 57 -8.004 5.628 -13.173 1.00 0.00 N ATOM 806 CA VAL A 57 -8.928 6.528 -12.497 1.00 0.00 C ATOM 807 C VAL A 57 -8.737 7.957 -12.993 1.00 0.00 C ATOM 808 O VAL A 57 -9.711 8.674 -13.242 1.00 0.00 O ATOM 809 CB VAL A 57 -8.745 6.488 -10.961 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.718 7.436 -10.275 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.926 5.073 -10.438 1.00 0.00 C ATOM 0 H VAL A 57 -7.283 5.235 -12.568 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.938 6.191 -12.731 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.731 6.815 -10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.571 7.391 -9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.541 8.454 -10.623 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.740 7.144 -10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.794 5.065 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.927 4.720 -10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.187 4.418 -10.899 1.00 0.00 H new ATOM 821 N ALA A 58 -7.479 8.361 -13.160 1.00 0.00 N ATOM 822 CA ALA A 58 -7.167 9.700 -13.650 1.00 0.00 C ATOM 823 C ALA A 58 -7.680 9.883 -15.075 1.00 0.00 C ATOM 824 O ALA A 58 -8.132 10.966 -15.450 1.00 0.00 O ATOM 825 CB ALA A 58 -5.669 9.956 -13.585 1.00 0.00 C ATOM 0 H ALA A 58 -6.663 7.782 -12.964 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.668 10.425 -13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.455 10.959 -13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.329 9.869 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.148 9.224 -14.201 1.00 0.00 H new ATOM 831 N GLY A 59 -7.608 8.814 -15.859 1.00 0.00 N ATOM 832 CA GLY A 59 -8.093 8.851 -17.225 1.00 0.00 C ATOM 833 C GLY A 59 -9.588 8.615 -17.313 1.00 0.00 C ATOM 834 O GLY A 59 -10.213 8.914 -18.330 1.00 0.00 O ATOM 0 H GLY A 59 -7.219 7.916 -15.570 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.854 9.818 -17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.573 8.095 -17.813 1.00 0.00 H new ATOM 838 N LEU A 60 -10.168 8.074 -16.247 1.00 0.00 N ATOM 839 CA LEU A 60 -11.605 7.832 -16.203 1.00 0.00 C ATOM 840 C LEU A 60 -12.371 9.134 -16.004 1.00 0.00 C ATOM 841 O LEU A 60 -13.585 9.187 -16.198 1.00 0.00 O ATOM 842 CB LEU A 60 -11.947 6.857 -15.076 1.00 0.00 C ATOM 843 CG LEU A 60 -12.449 5.477 -15.519 1.00 0.00 C ATOM 844 CD1 LEU A 60 -12.038 5.169 -16.952 1.00 0.00 C ATOM 845 CD2 LEU A 60 -11.925 4.406 -14.579 1.00 0.00 C ATOM 0 H LEU A 60 -9.666 7.795 -15.404 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.900 7.396 -17.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.060 6.719 -14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.708 7.314 -14.444 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.538 5.486 -15.480 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.410 4.184 -17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.458 5.920 -17.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.951 5.182 -17.030 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.287 3.430 -14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.835 4.412 -14.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.276 4.607 -13.567 1.00 0.00 H new ATOM 857 N GLY A 61 -11.656 10.182 -15.621 1.00 0.00 N ATOM 858 CA GLY A 61 -12.287 11.467 -15.401 1.00 0.00 C ATOM 859 C GLY A 61 -12.282 11.860 -13.940 1.00 0.00 C ATOM 860 O GLY A 61 -12.665 12.973 -13.585 1.00 0.00 O ATOM 0 H GLY A 61 -10.649 10.165 -15.459 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.769 12.229 -15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.314 11.433 -15.763 1.00 0.00 H new ATOM 864 N TYR A 62 -11.845 10.941 -13.095 1.00 0.00 N ATOM 865 CA TYR A 62 -11.760 11.196 -11.668 1.00 0.00 C ATOM 866 C TYR A 62 -10.335 11.577 -11.302 1.00 0.00 C ATOM 867 O TYR A 62 -9.501 11.805 -12.180 1.00 0.00 O ATOM 868 CB TYR A 62 -12.192 9.963 -10.871 1.00 0.00 C ATOM 869 CG TYR A 62 -13.568 9.451 -11.222 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.709 10.144 -10.831 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.729 8.276 -11.949 1.00 0.00 C ATOM 872 CE1 TYR A 62 -15.969 9.679 -11.154 1.00 0.00 C ATOM 873 CE2 TYR A 62 -14.986 7.808 -12.275 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.100 8.502 -11.861 1.00 0.00 C ATOM 875 OH TYR A 62 -17.352 8.046 -12.196 1.00 0.00 O ATOM 0 H TYR A 62 -11.543 10.008 -13.375 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.431 12.018 -11.419 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.467 9.166 -11.035 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.166 10.204 -9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.608 11.059 -10.267 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.857 7.721 -12.263 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.846 10.234 -10.855 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.095 6.902 -12.852 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.272 7.205 -12.693 1.00 0.00 H new ATOM 885 N LYS A 63 -10.051 11.642 -10.016 1.00 0.00 N ATOM 886 CA LYS A 63 -8.715 11.964 -9.555 1.00 0.00 C ATOM 887 C LYS A 63 -8.268 10.963 -8.503 1.00 0.00 C ATOM 888 O LYS A 63 -9.016 10.645 -7.579 1.00 0.00 O ATOM 889 CB LYS A 63 -8.665 13.384 -8.985 1.00 0.00 C ATOM 890 CG LYS A 63 -7.325 14.075 -9.191 1.00 0.00 C ATOM 891 CD LYS A 63 -6.928 14.102 -10.658 1.00 0.00 C ATOM 892 CE LYS A 63 -5.693 14.958 -10.890 1.00 0.00 C ATOM 893 NZ LYS A 63 -5.793 15.744 -12.147 1.00 0.00 N ATOM 0 H LYS A 63 -10.728 11.476 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.037 11.911 -10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.448 13.982 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.885 13.346 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.378 15.095 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.557 13.559 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.736 13.086 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.756 14.489 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.558 15.636 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.811 14.319 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.932 16.314 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.897 15.096 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.620 16.372 -12.099 1.00 0.00 H new ATOM 907 N ALA A 64 -7.057 10.463 -8.646 1.00 0.00 N ATOM 908 CA ALA A 64 -6.507 9.523 -7.690 1.00 0.00 C ATOM 909 C ALA A 64 -5.031 9.804 -7.473 1.00 0.00 C ATOM 910 O ALA A 64 -4.373 10.387 -8.336 1.00 0.00 O ATOM 911 CB ALA A 64 -6.715 8.093 -8.163 1.00 0.00 C ATOM 0 H ALA A 64 -6.432 10.693 -9.419 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.030 9.645 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.295 7.403 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.782 7.898 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.218 7.951 -9.123 1.00 0.00 H new ATOM 917 N THR A 65 -4.524 9.406 -6.322 1.00 0.00 N ATOM 918 CA THR A 65 -3.124 9.601 -5.998 1.00 0.00 C ATOM 919 C THR A 65 -2.509 8.308 -5.486 1.00 0.00 C ATOM 920 O THR A 65 -2.933 7.779 -4.455 1.00 0.00 O ATOM 921 CB THR A 65 -2.955 10.701 -4.939 1.00 0.00 C ATOM 922 OG1 THR A 65 -4.166 11.464 -4.830 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.797 11.622 -5.286 1.00 0.00 C ATOM 0 H THR A 65 -5.065 8.943 -5.592 1.00 0.00 H new ATOM 0 HA THR A 65 -2.611 9.906 -6.910 1.00 0.00 H new ATOM 0 HB THR A 65 -2.738 10.223 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.053 12.163 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.701 12.391 -4.519 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.875 11.043 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.984 12.093 -6.251 1.00 0.00 H new ATOM 931 N LEU A 66 -1.531 7.785 -6.214 1.00 0.00 N ATOM 932 CA LEU A 66 -0.829 6.588 -5.781 1.00 0.00 C ATOM 933 C LEU A 66 0.127 6.944 -4.653 1.00 0.00 C ATOM 934 O LEU A 66 1.228 7.446 -4.879 1.00 0.00 O ATOM 935 CB LEU A 66 -0.081 5.921 -6.947 1.00 0.00 C ATOM 936 CG LEU A 66 0.891 6.818 -7.724 1.00 0.00 C ATOM 937 CD1 LEU A 66 2.296 6.231 -7.698 1.00 0.00 C ATOM 938 CD2 LEU A 66 0.422 6.996 -9.158 1.00 0.00 C ATOM 0 H LEU A 66 -1.208 8.170 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.560 5.866 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.476 5.069 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.818 5.526 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 66 0.914 7.796 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.972 6.881 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.637 6.150 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.285 5.242 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.124 7.635 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.371 6.023 -9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.566 7.457 -9.163 1.00 0.00 H new ATOM 950 N ALA A 67 -0.301 6.690 -3.434 1.00 0.00 N ATOM 951 CA ALA A 67 0.450 7.114 -2.270 1.00 0.00 C ATOM 952 C ALA A 67 0.342 6.084 -1.164 1.00 0.00 C ATOM 953 O ALA A 67 -0.519 6.181 -0.290 1.00 0.00 O ATOM 954 CB ALA A 67 -0.050 8.467 -1.786 1.00 0.00 C ATOM 0 H ALA A 67 -1.166 6.192 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 67 1.499 7.209 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.522 8.775 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.074 9.205 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.105 8.392 -1.522 1.00 0.00 H new