USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=19 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 3 HIS : no HE2:sc= -2.28! K(o=-2.3!,f=-2.9) USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-2.3) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.0521 K(o=-0.57,f=-5!) USER MOD Set 2.2: A 62 TYR OH : rot 130:sc= -0.515 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0.0993 USER MOD Set 3.2: A 14 CYS SG : rot 94:sc= -0.0734 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 58:sc= 1.14 USER MOD Single : A 9 MET CE :methyl -137:sc= -0.201 (180deg=-4.49!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.26) 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) USER MOD Single : A 30 SER OG : rot 24:sc= 0.39 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= -1.59! USER MOD Single : A 48 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 77:sc= 0.874 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -125:sc= 0.52 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.777 0.462 -2.409 1.00 0.00 N ATOM 35 CA HIS A 3 -4.157 0.696 -2.017 1.00 0.00 C ATOM 36 C HIS A 3 -4.929 1.348 -3.155 1.00 0.00 C ATOM 37 O HIS A 3 -4.453 2.285 -3.798 1.00 0.00 O ATOM 38 CB HIS A 3 -4.237 1.573 -0.765 1.00 0.00 C ATOM 39 CG HIS A 3 -3.547 0.995 0.435 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.181 1.023 0.611 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.046 0.373 1.528 1.00 0.00 C ATOM 42 CE1 HIS A 3 -1.871 0.443 1.753 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.983 0.038 2.332 1.00 0.00 N ATOM 0 HA HIS A 3 -4.605 -0.271 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.800 2.546 -0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.286 1.743 -0.521 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -1.512 1.430 -0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.088 0.176 1.731 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.873 0.320 2.148 1.00 0.00 H new ATOM 52 N LEU A 4 -6.122 0.845 -3.389 1.00 0.00 N ATOM 53 CA LEU A 4 -6.980 1.336 -4.453 1.00 0.00 C ATOM 54 C LEU A 4 -8.214 1.983 -3.845 1.00 0.00 C ATOM 55 O LEU A 4 -8.522 1.752 -2.680 1.00 0.00 O ATOM 56 CB LEU A 4 -7.387 0.184 -5.379 1.00 0.00 C ATOM 57 CG LEU A 4 -6.891 0.298 -6.823 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.447 -0.173 -6.934 1.00 0.00 C ATOM 59 CD2 LEU A 4 -7.788 -0.500 -7.758 1.00 0.00 C ATOM 0 H LEU A 4 -6.528 0.082 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.438 2.076 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.014 -0.749 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.475 0.116 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.931 1.346 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.114 -0.084 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.814 0.442 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.379 -1.214 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.421 -0.408 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.780 -1.549 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.806 -0.115 -7.702 1.00 0.00 H new ATOM 71 N LYS A 5 -8.910 2.797 -4.617 1.00 0.00 N ATOM 72 CA LYS A 5 -10.103 3.463 -4.118 1.00 0.00 C ATOM 73 C LYS A 5 -11.338 3.013 -4.890 1.00 0.00 C ATOM 74 O LYS A 5 -11.293 2.846 -6.111 1.00 0.00 O ATOM 75 CB LYS A 5 -9.939 4.977 -4.210 1.00 0.00 C ATOM 76 CG LYS A 5 -9.330 5.600 -2.964 1.00 0.00 C ATOM 77 CD LYS A 5 -9.953 6.949 -2.651 1.00 0.00 C ATOM 78 CE LYS A 5 -11.290 6.795 -1.945 1.00 0.00 C ATOM 79 NZ LYS A 5 -12.123 8.018 -2.071 1.00 0.00 N ATOM 0 H LYS A 5 -8.674 3.013 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.238 3.188 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.311 5.215 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.914 5.429 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.469 4.929 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.256 5.719 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.274 7.528 -2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.091 7.510 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.827 5.944 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.121 6.577 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.027 7.875 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.621 8.825 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.305 8.212 -3.076 1.00 0.00 H new ATOM 93 N ILE A 6 -12.433 2.817 -4.166 1.00 0.00 N ATOM 94 CA ILE A 6 -13.677 2.336 -4.753 1.00 0.00 C ATOM 95 C ILE A 6 -14.752 3.418 -4.678 1.00 0.00 C ATOM 96 O ILE A 6 -15.023 3.963 -3.607 1.00 0.00 O ATOM 97 CB ILE A 6 -14.177 1.062 -4.030 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.161 -0.077 -4.185 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.541 0.631 -4.557 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.770 -0.355 -5.622 1.00 0.00 C ATOM 0 H ILE A 6 -12.484 2.986 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.480 2.091 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.282 1.296 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.265 0.168 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.578 -0.985 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.867 -0.266 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.264 1.431 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.469 0.420 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.049 -1.172 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.656 -0.632 -6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.323 0.539 -6.057 1.00 0.00 H new ATOM 112 N THR A 7 -15.360 3.725 -5.815 1.00 0.00 N ATOM 113 CA THR A 7 -16.337 4.794 -5.891 1.00 0.00 C ATOM 114 C THR A 7 -17.528 4.379 -6.750 1.00 0.00 C ATOM 115 O THR A 7 -17.475 3.370 -7.466 1.00 0.00 O ATOM 116 CB THR A 7 -15.699 6.067 -6.475 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.372 5.772 -6.926 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.652 7.187 -5.443 1.00 0.00 C ATOM 0 H THR A 7 -15.191 3.245 -6.699 1.00 0.00 H new ATOM 0 HA THR A 7 -16.687 5.001 -4.880 1.00 0.00 H new ATOM 0 HB THR A 7 -16.311 6.403 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.405 5.055 -7.594 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.196 8.072 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.665 7.425 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.062 6.866 -4.585 1.00 0.00 H new ATOM 126 N GLY A 8 -18.604 5.145 -6.669 1.00 0.00 N ATOM 127 CA GLY A 8 -19.777 4.860 -7.467 1.00 0.00 C ATOM 128 C GLY A 8 -20.786 4.017 -6.719 1.00 0.00 C ATOM 129 O GLY A 8 -21.959 4.377 -6.627 1.00 0.00 O ATOM 0 H GLY A 8 -18.686 5.961 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.243 5.797 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.477 4.342 -8.378 1.00 0.00 H new ATOM 133 N MET A 9 -20.331 2.892 -6.184 1.00 0.00 N ATOM 134 CA MET A 9 -21.208 1.998 -5.434 1.00 0.00 C ATOM 135 C MET A 9 -21.291 2.416 -3.972 1.00 0.00 C ATOM 136 O MET A 9 -20.533 3.274 -3.520 1.00 0.00 O ATOM 137 CB MET A 9 -20.737 0.554 -5.540 1.00 0.00 C ATOM 138 CG MET A 9 -20.763 0.029 -6.958 1.00 0.00 C ATOM 139 SD MET A 9 -19.590 -1.315 -7.213 1.00 0.00 S ATOM 140 CE MET A 9 -18.039 -0.438 -7.033 1.00 0.00 C ATOM 0 H MET A 9 -19.364 2.576 -6.254 1.00 0.00 H new ATOM 0 HA MET A 9 -22.203 2.070 -5.872 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.723 0.478 -5.149 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.368 -0.076 -4.913 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.768 -0.319 -7.195 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.536 0.842 -7.648 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.344 -0.765 -7.807 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.213 0.633 -7.131 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.614 -0.648 -6.051 1.00 0.00 H new ATOM 150 N THR A 10 -22.207 1.805 -3.239 1.00 0.00 N ATOM 151 CA THR A 10 -22.394 2.108 -1.835 1.00 0.00 C ATOM 152 C THR A 10 -21.337 1.418 -0.975 1.00 0.00 C ATOM 153 O THR A 10 -20.382 2.045 -0.513 1.00 0.00 O ATOM 154 CB THR A 10 -23.788 1.648 -1.391 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.467 1.038 -2.502 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.606 2.814 -0.858 1.00 0.00 C ATOM 0 H THR A 10 -22.837 1.089 -3.600 1.00 0.00 H new ATOM 0 HA THR A 10 -22.295 3.186 -1.704 1.00 0.00 H new ATOM 0 HB THR A 10 -23.674 0.922 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.357 0.742 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.589 2.458 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.096 3.255 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.720 3.566 -1.639 1.00 0.00 H new ATOM 164 N CYS A 11 -21.507 0.117 -0.793 1.00 0.00 N ATOM 165 CA CYS A 11 -20.642 -0.674 0.068 1.00 0.00 C ATOM 166 C CYS A 11 -20.982 -2.149 -0.097 1.00 0.00 C ATOM 167 O CYS A 11 -21.791 -2.476 -0.953 1.00 0.00 O ATOM 168 CB CYS A 11 -20.823 -0.252 1.525 1.00 0.00 C ATOM 169 SG CYS A 11 -22.552 -0.095 2.047 1.00 0.00 S ATOM 0 H CYS A 11 -22.250 -0.421 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.602 -0.509 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.327 -0.980 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.321 0.703 1.679 1.00 0.00 H new ATOM 0 HG CYS A 11 -22.597 0.264 3.296 1.00 0.00 H new ATOM 175 N ASP A 12 -20.280 -3.007 0.666 1.00 0.00 N ATOM 176 CA ASP A 12 -20.597 -4.449 0.866 1.00 0.00 C ATOM 177 C ASP A 12 -21.483 -5.088 -0.213 1.00 0.00 C ATOM 178 O ASP A 12 -22.635 -4.695 -0.397 1.00 0.00 O ATOM 179 CB ASP A 12 -21.221 -4.677 2.242 1.00 0.00 C ATOM 180 CG ASP A 12 -20.805 -6.011 2.831 1.00 0.00 C ATOM 181 OD1 ASP A 12 -20.596 -6.971 2.062 1.00 0.00 O ATOM 182 OD2 ASP A 12 -20.697 -6.106 4.072 1.00 0.00 O ATOM 0 H ASP A 12 -19.449 -2.715 1.180 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.633 -4.951 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.923 -3.873 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.307 -4.638 2.160 1.00 0.00 H new ATOM 187 N SER A 13 -20.948 -6.147 -0.833 1.00 0.00 N ATOM 188 CA SER A 13 -21.541 -6.811 -2.007 1.00 0.00 C ATOM 189 C SER A 13 -21.111 -6.093 -3.282 1.00 0.00 C ATOM 190 O SER A 13 -20.631 -6.723 -4.223 1.00 0.00 O ATOM 191 CB SER A 13 -23.070 -6.919 -1.925 1.00 0.00 C ATOM 192 OG SER A 13 -23.480 -7.415 -0.658 1.00 0.00 O ATOM 0 H SER A 13 -20.074 -6.577 -0.529 1.00 0.00 H new ATOM 0 HA SER A 13 -21.166 -7.834 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.517 -5.940 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.434 -7.579 -2.713 1.00 0.00 H new ATOM 0 HG SER A 13 -24.458 -7.473 -0.630 1.00 0.00 H new ATOM 198 N CYS A 14 -21.250 -4.774 -3.299 1.00 0.00 N ATOM 199 CA CYS A 14 -20.717 -3.971 -4.392 1.00 0.00 C ATOM 200 C CYS A 14 -19.199 -4.079 -4.401 1.00 0.00 C ATOM 201 O CYS A 14 -18.571 -4.242 -5.445 1.00 0.00 O ATOM 202 CB CYS A 14 -21.154 -2.513 -4.240 1.00 0.00 C ATOM 203 SG CYS A 14 -22.941 -2.307 -4.046 1.00 0.00 S ATOM 0 H CYS A 14 -21.725 -4.239 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.106 -4.343 -5.340 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.651 -2.080 -3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.825 -1.951 -5.114 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.238 -2.267 -2.781 1.00 0.00 H new ATOM 209 N ALA A 15 -18.619 -4.027 -3.208 1.00 0.00 N ATOM 210 CA ALA A 15 -17.185 -4.201 -3.045 1.00 0.00 C ATOM 211 C ALA A 15 -16.788 -5.651 -3.288 1.00 0.00 C ATOM 212 O ALA A 15 -15.651 -5.941 -3.650 1.00 0.00 O ATOM 213 CB ALA A 15 -16.760 -3.758 -1.655 1.00 0.00 C ATOM 0 H ALA A 15 -19.124 -3.865 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.674 -3.581 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.684 -3.892 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.011 -2.706 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.280 -4.357 -0.907 1.00 0.00 H new ATOM 219 N ALA A 16 -17.740 -6.559 -3.098 1.00 0.00 N ATOM 220 CA ALA A 16 -17.496 -7.977 -3.321 1.00 0.00 C ATOM 221 C ALA A 16 -17.365 -8.253 -4.810 1.00 0.00 C ATOM 222 O ALA A 16 -16.488 -8.996 -5.236 1.00 0.00 O ATOM 223 CB ALA A 16 -18.607 -8.820 -2.712 1.00 0.00 C ATOM 0 H ALA A 16 -18.687 -6.337 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.562 -8.251 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.403 -9.876 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.656 -8.637 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.559 -8.552 -3.169 1.00 0.00 H new ATOM 229 N HIS A 17 -18.240 -7.629 -5.595 1.00 0.00 N ATOM 230 CA HIS A 17 -18.176 -7.719 -7.050 1.00 0.00 C ATOM 231 C HIS A 17 -16.818 -7.228 -7.544 1.00 0.00 C ATOM 232 O HIS A 17 -16.184 -7.855 -8.401 1.00 0.00 O ATOM 233 CB HIS A 17 -19.293 -6.885 -7.676 1.00 0.00 C ATOM 234 CG HIS A 17 -19.830 -7.436 -8.963 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.497 -8.678 -9.461 1.00 0.00 N ATOM 236 CD2 HIS A 17 -20.688 -6.898 -9.858 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.125 -8.875 -10.604 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.855 -7.810 -10.867 1.00 0.00 N ATOM 0 H HIS A 17 -19.005 -7.053 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.305 -8.760 -7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -20.112 -6.801 -6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.921 -5.876 -7.854 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -18.863 -9.341 -9.015 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -21.156 -5.927 -9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.053 -9.759 -11.220 1.00 0.00 H new ATOM 247 N VAL A 18 -16.378 -6.106 -6.983 1.00 0.00 N ATOM 248 CA VAL A 18 -15.061 -5.561 -7.279 1.00 0.00 C ATOM 249 C VAL A 18 -13.979 -6.551 -6.869 1.00 0.00 C ATOM 250 O VAL A 18 -13.012 -6.762 -7.598 1.00 0.00 O ATOM 251 CB VAL A 18 -14.832 -4.216 -6.554 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.403 -3.727 -6.744 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.822 -3.175 -7.050 1.00 0.00 C ATOM 0 H VAL A 18 -16.919 -5.555 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.009 -5.385 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.993 -4.373 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.271 -2.779 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.709 -4.464 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.204 -3.588 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.649 -2.232 -6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.689 -3.028 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.838 -3.517 -6.853 1.00 0.00 H new ATOM 263 N LYS A 19 -14.158 -7.165 -5.704 1.00 0.00 N ATOM 264 CA LYS A 19 -13.224 -8.169 -5.213 1.00 0.00 C ATOM 265 C LYS A 19 -13.093 -9.316 -6.208 1.00 0.00 C ATOM 266 O LYS A 19 -11.984 -9.747 -6.517 1.00 0.00 O ATOM 267 CB LYS A 19 -13.666 -8.703 -3.847 1.00 0.00 C ATOM 268 CG LYS A 19 -12.693 -9.700 -3.232 1.00 0.00 C ATOM 269 CD LYS A 19 -13.408 -10.709 -2.345 1.00 0.00 C ATOM 270 CE LYS A 19 -14.356 -11.589 -3.145 1.00 0.00 C ATOM 271 NZ LYS A 19 -13.922 -13.011 -3.163 1.00 0.00 N ATOM 0 H LYS A 19 -14.945 -6.983 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.250 -7.693 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.792 -7.864 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.641 -9.179 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.160 -10.225 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.946 -9.165 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.672 -11.333 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.966 -10.182 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.357 -11.522 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.418 -11.217 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.615 -13.579 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.992 -13.084 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.855 -13.366 -2.188 1.00 0.00 H new ATOM 285 N GLU A 20 -14.223 -9.803 -6.720 1.00 0.00 N ATOM 286 CA GLU A 20 -14.197 -10.869 -7.718 1.00 0.00 C ATOM 287 C GLU A 20 -13.494 -10.398 -8.980 1.00 0.00 C ATOM 288 O GLU A 20 -12.690 -11.129 -9.559 1.00 0.00 O ATOM 289 CB GLU A 20 -15.606 -11.352 -8.083 1.00 0.00 C ATOM 290 CG GLU A 20 -16.550 -11.514 -6.905 1.00 0.00 C ATOM 291 CD GLU A 20 -17.975 -11.138 -7.261 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.211 -10.651 -8.387 1.00 0.00 O ATOM 293 OE2 GLU A 20 -18.870 -11.331 -6.414 1.00 0.00 O ATOM 0 H GLU A 20 -15.156 -9.481 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.652 -11.703 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.045 -10.646 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.524 -12.309 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.524 -12.547 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.207 -10.892 -6.078 1.00 0.00 H new ATOM 300 N ALA A 21 -13.793 -9.171 -9.392 1.00 0.00 N ATOM 301 CA ALA A 21 -13.178 -8.599 -10.580 1.00 0.00 C ATOM 302 C ALA A 21 -11.670 -8.508 -10.399 1.00 0.00 C ATOM 303 O ALA A 21 -10.903 -8.749 -11.329 1.00 0.00 O ATOM 304 CB ALA A 21 -13.767 -7.227 -10.878 1.00 0.00 C ATOM 0 H ALA A 21 -14.456 -8.556 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.386 -9.250 -11.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.295 -6.814 -11.770 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.840 -7.320 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.588 -6.563 -10.033 1.00 0.00 H new ATOM 310 N LEU A 22 -11.260 -8.165 -9.187 1.00 0.00 N ATOM 311 CA LEU A 22 -9.849 -8.086 -8.852 1.00 0.00 C ATOM 312 C LEU A 22 -9.222 -9.474 -8.867 1.00 0.00 C ATOM 313 O LEU A 22 -8.160 -9.679 -9.446 1.00 0.00 O ATOM 314 CB LEU A 22 -9.660 -7.431 -7.480 1.00 0.00 C ATOM 315 CG LEU A 22 -9.672 -5.901 -7.485 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.904 -5.367 -6.080 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.369 -5.358 -8.052 1.00 0.00 C ATOM 0 H LEU A 22 -11.889 -7.936 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.350 -7.471 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.448 -7.783 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.713 -7.770 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.490 -5.565 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.910 -4.277 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.863 -5.728 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.106 -5.713 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.396 -4.268 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.535 -5.703 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.241 -5.713 -9.074 1.00 0.00 H new ATOM 329 N GLU A 23 -9.903 -10.432 -8.246 1.00 0.00 N ATOM 330 CA GLU A 23 -9.389 -11.793 -8.132 1.00 0.00 C ATOM 331 C GLU A 23 -9.478 -12.534 -9.467 1.00 0.00 C ATOM 332 O GLU A 23 -8.928 -13.625 -9.622 1.00 0.00 O ATOM 333 CB GLU A 23 -10.145 -12.552 -7.042 1.00 0.00 C ATOM 334 CG GLU A 23 -9.832 -12.046 -5.644 1.00 0.00 C ATOM 335 CD GLU A 23 -10.464 -12.885 -4.553 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.680 -13.168 -4.633 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.744 -13.274 -3.610 1.00 0.00 O ATOM 0 H GLU A 23 -10.815 -10.290 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.336 -11.737 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.216 -12.466 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.895 -13.611 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.751 -12.032 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.180 -11.017 -5.550 1.00 0.00 H new ATOM 344 N LYS A 24 -10.184 -11.945 -10.426 1.00 0.00 N ATOM 345 CA LYS A 24 -10.225 -12.479 -11.780 1.00 0.00 C ATOM 346 C LYS A 24 -8.943 -12.104 -12.527 1.00 0.00 C ATOM 347 O LYS A 24 -8.613 -12.686 -13.564 1.00 0.00 O ATOM 348 CB LYS A 24 -11.474 -11.962 -12.513 1.00 0.00 C ATOM 349 CG LYS A 24 -11.190 -10.950 -13.613 1.00 0.00 C ATOM 350 CD LYS A 24 -12.452 -10.580 -14.369 1.00 0.00 C ATOM 351 CE LYS A 24 -12.225 -10.595 -15.870 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.850 -9.424 -16.541 1.00 0.00 N ATOM 0 H LYS A 24 -10.735 -11.098 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.286 -13.567 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.002 -12.811 -12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.145 -11.508 -11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.749 -10.053 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.457 -11.361 -14.307 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.249 -11.279 -14.113 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.785 -9.589 -14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.154 -10.601 -16.074 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.635 -11.514 -16.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.671 -9.474 -17.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.876 -9.431 -16.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.441 -8.547 -16.160 1.00 0.00 H new ATOM 366 N VAL A 25 -8.223 -11.136 -11.976 1.00 0.00 N ATOM 367 CA VAL A 25 -6.952 -10.701 -12.529 1.00 0.00 C ATOM 368 C VAL A 25 -5.831 -11.598 -12.007 1.00 0.00 C ATOM 369 O VAL A 25 -5.620 -11.700 -10.799 1.00 0.00 O ATOM 370 CB VAL A 25 -6.660 -9.228 -12.159 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.246 -8.828 -12.561 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.682 -8.305 -12.807 1.00 0.00 C ATOM 0 H VAL A 25 -8.505 -10.632 -11.135 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.006 -10.775 -13.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.739 -9.131 -11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.071 -7.787 -12.288 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.527 -9.465 -12.045 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.127 -8.945 -13.638 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.462 -7.272 -12.537 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.636 -8.414 -13.891 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.681 -8.567 -12.459 1.00 0.00 H new ATOM 382 N PRO A 26 -5.097 -12.256 -12.918 1.00 0.00 N ATOM 383 CA PRO A 26 -4.046 -13.220 -12.555 1.00 0.00 C ATOM 384 C PRO A 26 -2.879 -12.581 -11.802 1.00 0.00 C ATOM 385 O PRO A 26 -2.088 -13.273 -11.163 1.00 0.00 O ATOM 386 CB PRO A 26 -3.569 -13.767 -13.908 1.00 0.00 C ATOM 387 CG PRO A 26 -4.638 -13.403 -14.881 1.00 0.00 C ATOM 388 CD PRO A 26 -5.236 -12.124 -14.375 1.00 0.00 C ATOM 0 HA PRO A 26 -4.429 -13.984 -11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.612 -13.330 -14.193 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.426 -14.847 -13.867 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.227 -13.273 -15.882 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.392 -14.188 -14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.705 -11.251 -14.755 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.279 -12.018 -14.674 1.00 0.00 H new ATOM 396 N GLY A 27 -2.778 -11.261 -11.877 1.00 0.00 N ATOM 397 CA GLY A 27 -1.694 -10.559 -11.219 1.00 0.00 C ATOM 398 C GLY A 27 -2.008 -10.217 -9.774 1.00 0.00 C ATOM 399 O GLY A 27 -1.173 -9.653 -9.066 1.00 0.00 O ATOM 0 H GLY A 27 -3.430 -10.662 -12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.794 -11.173 -11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.476 -9.642 -11.766 1.00 0.00 H new ATOM 403 N VAL A 28 -3.208 -10.561 -9.331 1.00 0.00 N ATOM 404 CA VAL A 28 -3.632 -10.246 -7.975 1.00 0.00 C ATOM 405 C VAL A 28 -3.357 -11.415 -7.031 1.00 0.00 C ATOM 406 O VAL A 28 -3.775 -12.547 -7.282 1.00 0.00 O ATOM 407 CB VAL A 28 -5.130 -9.868 -7.925 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.632 -9.767 -6.490 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.365 -8.558 -8.660 1.00 0.00 C ATOM 0 H VAL A 28 -3.903 -11.057 -9.889 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.051 -9.385 -7.646 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.692 -10.660 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.689 -9.500 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.502 -10.727 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.065 -9.002 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.424 -8.302 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.781 -7.767 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.059 -8.665 -9.701 1.00 0.00 H new ATOM 419 N GLN A 29 -2.636 -11.126 -5.956 1.00 0.00 N ATOM 420 CA GLN A 29 -2.335 -12.116 -4.931 1.00 0.00 C ATOM 421 C GLN A 29 -3.480 -12.189 -3.932 1.00 0.00 C ATOM 422 O GLN A 29 -3.952 -13.271 -3.585 1.00 0.00 O ATOM 423 CB GLN A 29 -1.041 -11.740 -4.209 1.00 0.00 C ATOM 424 CG GLN A 29 -0.033 -12.870 -4.116 1.00 0.00 C ATOM 425 CD GLN A 29 1.097 -12.551 -3.157 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.695 -11.476 -3.220 1.00 0.00 O ATOM 427 NE2 GLN A 29 1.393 -13.474 -2.256 1.00 0.00 N ATOM 0 H GLN A 29 -2.245 -10.202 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.210 -13.090 -5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.580 -10.898 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.285 -11.401 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.538 -13.779 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.378 -13.071 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.874 -14.352 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.140 -13.307 -1.581 1.00 0.00 H new ATOM 436 N SER A 30 -3.926 -11.022 -3.482 1.00 0.00 N ATOM 437 CA SER A 30 -5.027 -10.923 -2.532 1.00 0.00 C ATOM 438 C SER A 30 -5.712 -9.571 -2.684 1.00 0.00 C ATOM 439 O SER A 30 -5.062 -8.590 -3.044 1.00 0.00 O ATOM 440 CB SER A 30 -4.515 -11.089 -1.099 1.00 0.00 C ATOM 441 OG SER A 30 -4.368 -12.457 -0.761 1.00 0.00 O ATOM 0 H SER A 30 -3.537 -10.122 -3.764 1.00 0.00 H new ATOM 0 HA SER A 30 -5.743 -11.719 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.557 -10.580 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.208 -10.613 -0.405 1.00 0.00 H new ATOM 0 HG SER A 30 -4.243 -12.984 -1.578 1.00 0.00 H new ATOM 447 N ALA A 31 -7.008 -9.517 -2.421 1.00 0.00 N ATOM 448 CA ALA A 31 -7.760 -8.277 -2.547 1.00 0.00 C ATOM 449 C ALA A 31 -8.701 -8.093 -1.363 1.00 0.00 C ATOM 450 O ALA A 31 -9.767 -8.705 -1.304 1.00 0.00 O ATOM 451 CB ALA A 31 -8.539 -8.264 -3.854 1.00 0.00 C ATOM 0 H ALA A 31 -7.562 -10.318 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.055 -7.446 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.097 -7.331 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.846 -8.347 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.233 -9.105 -3.872 1.00 0.00 H new ATOM 457 N LEU A 32 -8.303 -7.255 -0.416 1.00 0.00 N ATOM 458 CA LEU A 32 -9.116 -7.003 0.762 1.00 0.00 C ATOM 459 C LEU A 32 -9.779 -5.636 0.657 1.00 0.00 C ATOM 460 O LEU A 32 -9.218 -4.625 1.077 1.00 0.00 O ATOM 461 CB LEU A 32 -8.262 -7.088 2.033 1.00 0.00 C ATOM 462 CG LEU A 32 -7.139 -8.129 1.997 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.950 -7.658 2.819 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.641 -9.473 2.504 1.00 0.00 C ATOM 0 H LEU A 32 -7.423 -6.740 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.893 -7.766 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.822 -6.109 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.916 -7.311 2.876 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.815 -8.251 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.162 -8.410 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.575 -6.719 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.260 -7.507 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.830 -10.200 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.992 -9.367 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.462 -9.816 1.874 1.00 0.00 H new ATOM 476 N VAL A 33 -10.967 -5.610 0.075 1.00 0.00 N ATOM 477 CA VAL A 33 -11.696 -4.365 -0.118 1.00 0.00 C ATOM 478 C VAL A 33 -12.435 -3.968 1.157 1.00 0.00 C ATOM 479 O VAL A 33 -13.231 -4.742 1.691 1.00 0.00 O ATOM 480 CB VAL A 33 -12.709 -4.474 -1.276 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.105 -3.092 -1.775 1.00 0.00 C ATOM 482 CG2 VAL A 33 -12.145 -5.317 -2.413 1.00 0.00 C ATOM 0 H VAL A 33 -11.449 -6.439 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.961 -3.600 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.603 -4.970 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.820 -3.191 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.560 -2.528 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.219 -2.566 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.878 -5.379 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.231 -4.856 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.922 -6.319 -2.047 1.00 0.00 H new ATOM 492 N SER A 34 -12.164 -2.765 1.639 1.00 0.00 N ATOM 493 CA SER A 34 -12.800 -2.252 2.839 1.00 0.00 C ATOM 494 C SER A 34 -14.036 -1.431 2.474 1.00 0.00 C ATOM 495 O SER A 34 -13.924 -0.312 1.957 1.00 0.00 O ATOM 496 CB SER A 34 -11.800 -1.410 3.629 1.00 0.00 C ATOM 497 OG SER A 34 -10.474 -1.875 3.416 1.00 0.00 O ATOM 0 H SER A 34 -11.500 -2.120 1.210 1.00 0.00 H new ATOM 0 HA SER A 34 -13.122 -3.087 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.877 -0.366 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.040 -1.453 4.691 1.00 0.00 H new ATOM 0 HG SER A 34 -9.847 -1.323 3.928 1.00 0.00 H new ATOM 503 N TYR A 35 -15.212 -1.996 2.743 1.00 0.00 N ATOM 504 CA TYR A 35 -16.475 -1.371 2.361 1.00 0.00 C ATOM 505 C TYR A 35 -16.677 0.006 3.017 1.00 0.00 C ATOM 506 O TYR A 35 -16.905 0.984 2.307 1.00 0.00 O ATOM 507 CB TYR A 35 -17.686 -2.275 2.662 1.00 0.00 C ATOM 508 CG TYR A 35 -17.378 -3.600 3.337 1.00 0.00 C ATOM 509 CD1 TYR A 35 -16.869 -4.679 2.621 1.00 0.00 C ATOM 510 CD2 TYR A 35 -17.630 -3.774 4.690 1.00 0.00 C ATOM 511 CE1 TYR A 35 -16.614 -5.889 3.243 1.00 0.00 C ATOM 512 CE2 TYR A 35 -17.382 -4.977 5.317 1.00 0.00 C ATOM 513 CZ TYR A 35 -16.874 -6.031 4.592 1.00 0.00 C ATOM 514 OH TYR A 35 -16.632 -7.234 5.217 1.00 0.00 O ATOM 0 H TYR A 35 -15.315 -2.889 3.226 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.411 -1.225 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.379 -1.721 3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -18.203 -2.479 1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.670 -4.571 1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.029 -2.951 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.214 -6.717 2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.585 -5.092 6.371 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.868 -7.163 6.166 1.00 0.00 H new ATOM 524 N PRO A 36 -16.588 0.128 4.363 1.00 0.00 N ATOM 525 CA PRO A 36 -16.870 1.397 5.044 1.00 0.00 C ATOM 526 C PRO A 36 -15.729 2.399 4.915 1.00 0.00 C ATOM 527 O PRO A 36 -15.795 3.508 5.448 1.00 0.00 O ATOM 528 CB PRO A 36 -17.062 0.978 6.499 1.00 0.00 C ATOM 529 CG PRO A 36 -16.211 -0.231 6.660 1.00 0.00 C ATOM 530 CD PRO A 36 -16.209 -0.929 5.326 1.00 0.00 C ATOM 0 HA PRO A 36 -17.733 1.907 4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.757 1.770 7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -18.108 0.757 6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.199 0.043 6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.606 -0.883 7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.228 -1.345 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.918 -1.757 5.308 1.00 0.00 H new ATOM 538 N LYS A 37 -14.678 2.002 4.218 1.00 0.00 N ATOM 539 CA LYS A 37 -13.544 2.878 3.988 1.00 0.00 C ATOM 540 C LYS A 37 -13.549 3.376 2.546 1.00 0.00 C ATOM 541 O LYS A 37 -12.926 4.388 2.222 1.00 0.00 O ATOM 542 CB LYS A 37 -12.239 2.146 4.295 1.00 0.00 C ATOM 543 CG LYS A 37 -11.270 2.955 5.135 1.00 0.00 C ATOM 544 CD LYS A 37 -9.986 2.186 5.390 1.00 0.00 C ATOM 545 CE LYS A 37 -9.042 2.959 6.293 1.00 0.00 C ATOM 546 NZ LYS A 37 -7.752 2.247 6.478 1.00 0.00 N ATOM 0 H LYS A 37 -14.587 1.076 3.801 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.623 3.738 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.468 1.216 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.755 1.876 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.041 3.892 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.737 3.213 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.221 1.225 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.492 1.976 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.856 3.944 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.513 3.116 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.133 2.805 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.928 1.317 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.290 2.120 5.555 1.00 0.00 H new ATOM 560 N GLY A 38 -14.265 2.658 1.687 1.00 0.00 N ATOM 561 CA GLY A 38 -14.310 3.003 0.280 1.00 0.00 C ATOM 562 C GLY A 38 -12.977 2.774 -0.399 1.00 0.00 C ATOM 563 O GLY A 38 -12.630 3.458 -1.364 1.00 0.00 O ATOM 0 H GLY A 38 -14.817 1.839 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.077 2.408 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.598 4.049 0.171 1.00 0.00 H new ATOM 567 N THR A 39 -12.219 1.812 0.106 1.00 0.00 N ATOM 568 CA THR A 39 -10.892 1.543 -0.423 1.00 0.00 C ATOM 569 C THR A 39 -10.666 0.047 -0.600 1.00 0.00 C ATOM 570 O THR A 39 -11.314 -0.768 0.052 1.00 0.00 O ATOM 571 CB THR A 39 -9.805 2.111 0.507 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.356 2.341 1.808 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.240 3.413 -0.037 1.00 0.00 C ATOM 0 H THR A 39 -12.499 1.207 0.878 1.00 0.00 H new ATOM 0 HA THR A 39 -10.825 2.031 -1.395 1.00 0.00 H new ATOM 0 HB THR A 39 -8.996 1.382 0.567 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.662 2.701 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.475 3.789 0.642 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.800 3.237 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.040 4.148 -0.125 1.00 0.00 H new ATOM 581 N ALA A 40 -9.748 -0.306 -1.481 1.00 0.00 N ATOM 582 CA ALA A 40 -9.403 -1.694 -1.711 1.00 0.00 C ATOM 583 C ALA A 40 -7.940 -1.929 -1.370 1.00 0.00 C ATOM 584 O ALA A 40 -7.049 -1.361 -2.002 1.00 0.00 O ATOM 585 CB ALA A 40 -9.682 -2.080 -3.156 1.00 0.00 C ATOM 0 H ALA A 40 -9.225 0.357 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.019 -2.320 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.417 -3.126 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.741 -1.938 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.088 -1.453 -3.821 1.00 0.00 H new ATOM 591 N GLN A 41 -7.696 -2.742 -0.362 1.00 0.00 N ATOM 592 CA GLN A 41 -6.339 -3.047 0.049 1.00 0.00 C ATOM 593 C GLN A 41 -5.909 -4.369 -0.561 1.00 0.00 C ATOM 594 O GLN A 41 -6.172 -5.437 -0.009 1.00 0.00 O ATOM 595 CB GLN A 41 -6.240 -3.105 1.573 1.00 0.00 C ATOM 596 CG GLN A 41 -4.822 -2.948 2.097 1.00 0.00 C ATOM 597 CD GLN A 41 -4.716 -3.228 3.580 1.00 0.00 C ATOM 598 OE1 GLN A 41 -4.909 -4.481 3.957 1.00 0.00 O flip ATOM 599 NE2 GLN A 41 -4.461 -2.327 4.380 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.420 -3.204 0.188 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.675 -2.258 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.865 -2.320 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.643 -4.057 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.161 -3.625 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.475 -1.935 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.319 -1.374 4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.392 -2.534 5.376 1.00 0.00 H new ATOM 608 N LEU A 42 -5.260 -4.297 -1.708 1.00 0.00 N ATOM 609 CA LEU A 42 -4.903 -5.496 -2.435 1.00 0.00 C ATOM 610 C LEU A 42 -3.395 -5.626 -2.583 1.00 0.00 C ATOM 611 O LEU A 42 -2.651 -4.656 -2.425 1.00 0.00 O ATOM 612 CB LEU A 42 -5.583 -5.506 -3.809 1.00 0.00 C ATOM 613 CG LEU A 42 -4.912 -4.653 -4.886 1.00 0.00 C ATOM 614 CD1 LEU A 42 -4.996 -5.348 -6.234 1.00 0.00 C ATOM 615 CD2 LEU A 42 -5.555 -3.278 -4.954 1.00 0.00 C ATOM 0 H LEU A 42 -4.972 -3.425 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.254 -6.355 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.630 -6.536 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.611 -5.164 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.861 -4.526 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.515 -4.730 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.492 -6.313 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.042 -5.500 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.065 -2.685 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.613 -3.383 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.449 -2.779 -3.991 1.00 0.00 H new ATOM 627 N ALA A 43 -2.960 -6.836 -2.866 1.00 0.00 N ATOM 628 CA ALA A 43 -1.561 -7.121 -3.097 1.00 0.00 C ATOM 629 C ALA A 43 -1.394 -7.730 -4.479 1.00 0.00 C ATOM 630 O ALA A 43 -2.024 -8.744 -4.793 1.00 0.00 O ATOM 631 CB ALA A 43 -1.026 -8.059 -2.024 1.00 0.00 C ATOM 0 H ALA A 43 -3.569 -7.651 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.989 -6.194 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.028 -8.264 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.136 -7.592 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.586 -8.994 -2.045 1.00 0.00 H new ATOM 637 N ILE A 44 -0.574 -7.104 -5.307 1.00 0.00 N ATOM 638 CA ILE A 44 -0.371 -7.568 -6.670 1.00 0.00 C ATOM 639 C ILE A 44 1.051 -8.067 -6.867 1.00 0.00 C ATOM 640 O ILE A 44 1.974 -7.631 -6.178 1.00 0.00 O ATOM 641 CB ILE A 44 -0.664 -6.463 -7.710 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.236 -5.092 -7.181 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.140 -6.456 -8.077 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.688 -4.344 -8.119 1.00 0.00 C ATOM 0 H ILE A 44 -0.038 -6.273 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.074 -8.386 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.085 -6.677 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.125 -4.487 -7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.262 -5.221 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.329 -5.672 -8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.414 -7.422 -8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.736 -6.269 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.951 -3.381 -7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.594 -4.928 -8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.186 -4.183 -9.073 1.00 0.00 H new ATOM 656 N VAL A 45 1.215 -8.983 -7.803 1.00 0.00 N ATOM 657 CA VAL A 45 2.527 -9.505 -8.146 1.00 0.00 C ATOM 658 C VAL A 45 3.308 -8.459 -8.938 1.00 0.00 C ATOM 659 O VAL A 45 2.754 -7.832 -9.844 1.00 0.00 O ATOM 660 CB VAL A 45 2.410 -10.807 -8.977 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.774 -11.455 -9.179 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.449 -11.784 -8.312 1.00 0.00 C ATOM 0 H VAL A 45 0.449 -9.385 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 45 3.055 -9.735 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 45 2.013 -10.543 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.660 -12.367 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.431 -10.763 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.208 -11.699 -8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.381 -12.692 -8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.815 -12.033 -7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.463 -11.327 -8.232 1.00 0.00 H new ATOM 672 N PRO A 46 4.586 -8.225 -8.577 1.00 0.00 N ATOM 673 CA PRO A 46 5.465 -7.294 -9.297 1.00 0.00 C ATOM 674 C PRO A 46 5.406 -7.495 -10.809 1.00 0.00 C ATOM 675 O PRO A 46 5.923 -8.477 -11.343 1.00 0.00 O ATOM 676 CB PRO A 46 6.852 -7.642 -8.762 1.00 0.00 C ATOM 677 CG PRO A 46 6.603 -8.135 -7.380 1.00 0.00 C ATOM 678 CD PRO A 46 5.272 -8.837 -7.419 1.00 0.00 C ATOM 0 HA PRO A 46 5.181 -6.254 -9.140 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.335 -8.404 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.508 -6.771 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.393 -8.815 -7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.587 -7.309 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.391 -9.913 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.712 -8.685 -6.496 1.00 0.00 H new ATOM 686 N GLY A 47 4.774 -6.551 -11.487 1.00 0.00 N ATOM 687 CA GLY A 47 4.538 -6.673 -12.911 1.00 0.00 C ATOM 688 C GLY A 47 3.151 -6.191 -13.267 1.00 0.00 C ATOM 689 O GLY A 47 2.907 -5.719 -14.379 1.00 0.00 O ATOM 0 H GLY A 47 4.416 -5.691 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.281 -6.093 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.656 -7.713 -13.216 1.00 0.00 H new ATOM 693 N THR A 48 2.244 -6.316 -12.308 1.00 0.00 N ATOM 694 CA THR A 48 0.882 -5.821 -12.447 1.00 0.00 C ATOM 695 C THR A 48 0.856 -4.307 -12.312 1.00 0.00 C ATOM 696 O THR A 48 1.811 -3.706 -11.816 1.00 0.00 O ATOM 697 CB THR A 48 -0.038 -6.466 -11.389 1.00 0.00 C ATOM 698 OG1 THR A 48 0.401 -7.806 -11.126 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.485 -6.493 -11.854 1.00 0.00 C ATOM 0 H THR A 48 2.432 -6.764 -11.411 1.00 0.00 H new ATOM 0 HA THR A 48 0.515 -6.092 -13.437 1.00 0.00 H new ATOM 0 HB THR A 48 0.018 -5.866 -10.481 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.089 -7.794 -10.428 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.106 -6.954 -11.085 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.828 -5.474 -12.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.560 -7.070 -12.775 1.00 0.00 H new ATOM 707 N SER A 49 -0.229 -3.690 -12.741 1.00 0.00 N ATOM 708 CA SER A 49 -0.316 -2.251 -12.730 1.00 0.00 C ATOM 709 C SER A 49 -1.633 -1.788 -12.110 1.00 0.00 C ATOM 710 O SER A 49 -2.708 -2.254 -12.487 1.00 0.00 O ATOM 711 CB SER A 49 -0.170 -1.714 -14.156 1.00 0.00 C ATOM 712 OG SER A 49 0.804 -2.455 -14.880 1.00 0.00 O ATOM 0 H SER A 49 -1.057 -4.165 -13.099 1.00 0.00 H new ATOM 0 HA SER A 49 0.495 -1.856 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.130 -1.769 -14.669 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.116 -0.663 -14.125 1.00 0.00 H new ATOM 0 HG SER A 49 0.879 -2.096 -15.789 1.00 0.00 H new ATOM 718 N PRO A 50 -1.561 -0.872 -11.132 1.00 0.00 N ATOM 719 CA PRO A 50 -2.736 -0.396 -10.397 1.00 0.00 C ATOM 720 C PRO A 50 -3.696 0.424 -11.249 1.00 0.00 C ATOM 721 O PRO A 50 -4.894 0.486 -10.957 1.00 0.00 O ATOM 722 CB PRO A 50 -2.149 0.466 -9.270 1.00 0.00 C ATOM 723 CG PRO A 50 -0.688 0.156 -9.246 1.00 0.00 C ATOM 724 CD PRO A 50 -0.327 -0.241 -10.645 1.00 0.00 C ATOM 0 HA PRO A 50 -3.335 -1.235 -10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.322 1.526 -9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.615 0.231 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.110 1.023 -8.925 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.471 -0.649 -8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.047 0.621 -11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.516 -0.932 -10.665 1.00 0.00 H new ATOM 732 N ASP A 51 -3.192 1.035 -12.309 1.00 0.00 N ATOM 733 CA ASP A 51 -4.051 1.798 -13.199 1.00 0.00 C ATOM 734 C ASP A 51 -4.874 0.833 -14.027 1.00 0.00 C ATOM 735 O ASP A 51 -5.942 1.177 -14.539 1.00 0.00 O ATOM 736 CB ASP A 51 -3.231 2.718 -14.107 1.00 0.00 C ATOM 737 CG ASP A 51 -3.998 3.960 -14.529 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.116 4.899 -13.712 1.00 0.00 O ATOM 739 OD2 ASP A 51 -4.497 3.999 -15.674 1.00 0.00 O ATOM 0 H ASP A 51 -2.207 1.019 -12.572 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.709 2.431 -12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.321 3.017 -13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.924 2.166 -14.995 1.00 0.00 H new ATOM 744 N ALA A 52 -4.384 -0.398 -14.113 1.00 0.00 N ATOM 745 CA ALA A 52 -5.066 -1.432 -14.866 1.00 0.00 C ATOM 746 C ALA A 52 -6.242 -1.961 -14.072 1.00 0.00 C ATOM 747 O ALA A 52 -7.308 -2.212 -14.618 1.00 0.00 O ATOM 748 CB ALA A 52 -4.114 -2.556 -15.236 1.00 0.00 C ATOM 0 H ALA A 52 -3.517 -0.700 -13.669 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.438 -0.996 -15.793 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.652 -3.318 -15.800 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.302 -2.159 -15.845 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.704 -2.999 -14.328 1.00 0.00 H new ATOM 754 N LEU A 53 -6.038 -2.110 -12.769 1.00 0.00 N ATOM 755 CA LEU A 53 -7.097 -2.544 -11.872 1.00 0.00 C ATOM 756 C LEU A 53 -8.158 -1.459 -11.804 1.00 0.00 C ATOM 757 O LEU A 53 -9.358 -1.732 -11.815 1.00 0.00 O ATOM 758 CB LEU A 53 -6.534 -2.826 -10.478 1.00 0.00 C ATOM 759 CG LEU A 53 -5.207 -3.589 -10.459 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.426 -3.270 -9.196 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.451 -5.087 -10.578 1.00 0.00 C ATOM 0 H LEU A 53 -5.144 -1.935 -12.310 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.540 -3.466 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.398 -1.877 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.272 -3.396 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.614 -3.270 -11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.486 -3.822 -9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.219 -2.201 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.012 -3.559 -8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.497 -5.613 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.064 -5.423 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.967 -5.298 -11.515 1.00 0.00 H new ATOM 773 N THR A 54 -7.683 -0.223 -11.758 1.00 0.00 N ATOM 774 CA THR A 54 -8.541 0.944 -11.825 1.00 0.00 C ATOM 775 C THR A 54 -9.401 0.896 -13.081 1.00 0.00 C ATOM 776 O THR A 54 -10.624 1.023 -13.013 1.00 0.00 O ATOM 777 CB THR A 54 -7.693 2.236 -11.823 1.00 0.00 C ATOM 778 OG1 THR A 54 -7.001 2.363 -10.576 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.549 3.469 -12.060 1.00 0.00 C ATOM 0 H THR A 54 -6.690 -0.004 -11.673 1.00 0.00 H new ATOM 0 HA THR A 54 -9.190 0.944 -10.949 1.00 0.00 H new ATOM 0 HB THR A 54 -6.974 2.163 -12.639 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.232 1.756 -10.566 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.918 4.357 -12.052 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.046 3.386 -13.026 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.298 3.549 -11.272 1.00 0.00 H new ATOM 787 N ALA A 55 -8.755 0.685 -14.223 1.00 0.00 N ATOM 788 CA ALA A 55 -9.460 0.607 -15.495 1.00 0.00 C ATOM 789 C ALA A 55 -10.367 -0.613 -15.544 1.00 0.00 C ATOM 790 O ALA A 55 -11.423 -0.586 -16.166 1.00 0.00 O ATOM 791 CB ALA A 55 -8.474 0.589 -16.654 1.00 0.00 C ATOM 0 H ALA A 55 -7.744 0.565 -14.293 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.085 1.495 -15.588 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.020 0.530 -17.595 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.876 1.500 -16.637 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.818 -0.277 -16.560 1.00 0.00 H new ATOM 797 N ALA A 56 -9.948 -1.682 -14.887 1.00 0.00 N ATOM 798 CA ALA A 56 -10.747 -2.895 -14.827 1.00 0.00 C ATOM 799 C ALA A 56 -12.051 -2.653 -14.080 1.00 0.00 C ATOM 800 O ALA A 56 -13.122 -3.045 -14.547 1.00 0.00 O ATOM 801 CB ALA A 56 -9.959 -4.023 -14.181 1.00 0.00 C ATOM 0 H ALA A 56 -9.060 -1.735 -14.388 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.994 -3.188 -15.847 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.574 -4.922 -14.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.061 -4.221 -14.766 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.677 -3.736 -13.168 1.00 0.00 H new ATOM 807 N VAL A 57 -11.972 -1.991 -12.932 1.00 0.00 N ATOM 808 CA VAL A 57 -13.173 -1.710 -12.159 1.00 0.00 C ATOM 809 C VAL A 57 -13.993 -0.603 -12.820 1.00 0.00 C ATOM 810 O VAL A 57 -15.223 -0.672 -12.857 1.00 0.00 O ATOM 811 CB VAL A 57 -12.852 -1.330 -10.702 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.128 -1.175 -9.885 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.937 -2.363 -10.065 1.00 0.00 C ATOM 0 H VAL A 57 -11.105 -1.644 -12.522 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.759 -2.629 -12.139 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.335 -0.370 -10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.873 -0.906 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.747 -0.392 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.678 -2.116 -9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.723 -2.074 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.426 -3.337 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.005 -2.419 -10.627 1.00 0.00 H new ATOM 823 N ALA A 58 -13.312 0.410 -13.361 1.00 0.00 N ATOM 824 CA ALA A 58 -13.990 1.483 -14.078 1.00 0.00 C ATOM 825 C ALA A 58 -14.671 0.945 -15.330 1.00 0.00 C ATOM 826 O ALA A 58 -15.750 1.400 -15.712 1.00 0.00 O ATOM 827 CB ALA A 58 -13.013 2.593 -14.437 1.00 0.00 C ATOM 0 H ALA A 58 -12.298 0.506 -13.315 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.755 1.900 -13.422 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.540 3.383 -14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.575 3.001 -13.526 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.223 2.191 -15.071 1.00 0.00 H new ATOM 833 N GLY A 59 -14.046 -0.042 -15.951 1.00 0.00 N ATOM 834 CA GLY A 59 -14.602 -0.644 -17.144 1.00 0.00 C ATOM 835 C GLY A 59 -15.792 -1.529 -16.841 1.00 0.00 C ATOM 836 O GLY A 59 -16.548 -1.892 -17.738 1.00 0.00 O ATOM 0 H GLY A 59 -13.157 -0.440 -15.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.903 0.141 -17.838 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.832 -1.232 -17.644 1.00 0.00 H new ATOM 840 N LEU A 60 -15.971 -1.869 -15.572 1.00 0.00 N ATOM 841 CA LEU A 60 -17.078 -2.720 -15.160 1.00 0.00 C ATOM 842 C LEU A 60 -18.329 -1.895 -14.885 1.00 0.00 C ATOM 843 O LEU A 60 -19.311 -2.393 -14.335 1.00 0.00 O ATOM 844 CB LEU A 60 -16.691 -3.527 -13.920 1.00 0.00 C ATOM 845 CG LEU A 60 -16.369 -5.009 -14.156 1.00 0.00 C ATOM 846 CD1 LEU A 60 -17.251 -5.888 -13.280 1.00 0.00 C ATOM 847 CD2 LEU A 60 -16.532 -5.383 -15.624 1.00 0.00 C ATOM 0 H LEU A 60 -15.363 -1.568 -14.810 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.299 -3.409 -15.975 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.822 -3.056 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.507 -3.463 -13.200 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.327 -5.175 -13.883 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.011 -6.936 -13.458 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -17.076 -5.649 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.298 -5.709 -13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.297 -6.439 -15.759 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.560 -5.198 -15.935 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.856 -4.780 -16.230 1.00 0.00 H new ATOM 859 N GLY A 61 -18.282 -0.634 -15.276 1.00 0.00 N ATOM 860 CA GLY A 61 -19.416 0.251 -15.094 1.00 0.00 C ATOM 861 C GLY A 61 -19.357 1.011 -13.786 1.00 0.00 C ATOM 862 O GLY A 61 -20.203 1.861 -13.515 1.00 0.00 O ATOM 0 H GLY A 61 -17.472 -0.202 -15.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.455 0.960 -15.921 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.336 -0.332 -15.130 1.00 0.00 H new ATOM 866 N TYR A 62 -18.355 0.709 -12.977 1.00 0.00 N ATOM 867 CA TYR A 62 -18.198 1.346 -11.682 1.00 0.00 C ATOM 868 C TYR A 62 -17.071 2.369 -11.737 1.00 0.00 C ATOM 869 O TYR A 62 -16.517 2.626 -12.803 1.00 0.00 O ATOM 870 CB TYR A 62 -17.919 0.286 -10.617 1.00 0.00 C ATOM 871 CG TYR A 62 -18.842 -0.912 -10.714 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.224 -0.748 -10.717 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.335 -2.201 -10.813 1.00 0.00 C ATOM 874 CE1 TYR A 62 -21.073 -1.833 -10.814 1.00 0.00 C ATOM 875 CE2 TYR A 62 -19.180 -3.293 -10.913 1.00 0.00 C ATOM 876 CZ TYR A 62 -20.548 -3.102 -10.913 1.00 0.00 C ATOM 877 OH TYR A 62 -21.392 -4.187 -11.020 1.00 0.00 O ATOM 0 H TYR A 62 -17.634 0.022 -13.197 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.119 1.867 -11.420 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.886 -0.050 -10.709 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.020 0.736 -9.630 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.640 0.246 -10.642 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.266 -2.354 -10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.143 -1.687 -10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.771 -4.290 -10.991 1.00 0.00 H new ATOM 0 HH TYR A 62 -21.111 -4.747 -11.774 1.00 0.00 H new ATOM 887 N LYS A 63 -16.725 2.952 -10.599 1.00 0.00 N ATOM 888 CA LYS A 63 -15.697 3.978 -10.574 1.00 0.00 C ATOM 889 C LYS A 63 -14.569 3.580 -9.641 1.00 0.00 C ATOM 890 O LYS A 63 -14.754 3.504 -8.431 1.00 0.00 O ATOM 891 CB LYS A 63 -16.295 5.316 -10.137 1.00 0.00 C ATOM 892 CG LYS A 63 -16.232 6.391 -11.208 1.00 0.00 C ATOM 893 CD LYS A 63 -17.589 6.604 -11.859 1.00 0.00 C ATOM 894 CE LYS A 63 -17.754 5.749 -13.106 1.00 0.00 C ATOM 895 NZ LYS A 63 -17.851 6.574 -14.338 1.00 0.00 N ATOM 0 H LYS A 63 -17.136 2.735 -9.691 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.292 4.085 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.335 5.163 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.768 5.667 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.887 7.326 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.503 6.108 -11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.377 6.363 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.706 7.656 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.908 5.067 -13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.650 5.136 -13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.963 5.952 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.673 7.207 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.986 7.141 -14.445 1.00 0.00 H new ATOM 909 N ALA A 64 -13.407 3.303 -10.200 1.00 0.00 N ATOM 910 CA ALA A 64 -12.255 2.980 -9.382 1.00 0.00 C ATOM 911 C ALA A 64 -11.121 3.953 -9.626 1.00 0.00 C ATOM 912 O ALA A 64 -11.085 4.648 -10.641 1.00 0.00 O ATOM 913 CB ALA A 64 -11.787 1.560 -9.643 1.00 0.00 C ATOM 0 H ALA A 64 -13.236 3.295 -11.206 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.560 3.061 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.922 1.341 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.591 0.863 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.512 1.455 -10.692 1.00 0.00 H new ATOM 919 N THR A 65 -10.220 4.008 -8.669 1.00 0.00 N ATOM 920 CA THR A 65 -8.976 4.735 -8.808 1.00 0.00 C ATOM 921 C THR A 65 -7.969 4.127 -7.843 1.00 0.00 C ATOM 922 O THR A 65 -8.166 3.003 -7.379 1.00 0.00 O ATOM 923 CB THR A 65 -9.146 6.262 -8.564 1.00 0.00 C ATOM 924 OG1 THR A 65 -7.921 6.960 -8.843 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.599 6.561 -7.140 1.00 0.00 C ATOM 0 H THR A 65 -10.331 3.546 -7.766 1.00 0.00 H new ATOM 0 HA THR A 65 -8.621 4.643 -9.834 1.00 0.00 H new ATOM 0 HB THR A 65 -9.922 6.612 -9.245 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.660 7.488 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.706 7.638 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.557 6.076 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.858 6.183 -6.436 1.00 0.00 H new ATOM 933 N LEU A 66 -6.937 4.860 -7.496 1.00 0.00 N ATOM 934 CA LEU A 66 -5.904 4.318 -6.637 1.00 0.00 C ATOM 935 C LEU A 66 -5.244 5.418 -5.827 1.00 0.00 C ATOM 936 O LEU A 66 -5.032 6.531 -6.312 1.00 0.00 O ATOM 937 CB LEU A 66 -4.854 3.557 -7.460 1.00 0.00 C ATOM 938 CG LEU A 66 -3.889 4.428 -8.270 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.450 4.160 -7.852 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.068 4.178 -9.759 1.00 0.00 C ATOM 0 H LEU A 66 -6.788 5.825 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.375 3.618 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.271 2.933 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.372 2.886 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.116 5.475 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.778 4.787 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.330 4.389 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.210 3.111 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.374 4.805 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.867 3.129 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.091 4.420 -10.048 1.00 0.00 H new ATOM 952 N ALA A 67 -4.952 5.094 -4.579 1.00 0.00 N ATOM 953 CA ALA A 67 -4.313 6.023 -3.666 1.00 0.00 C ATOM 954 C ALA A 67 -3.607 5.250 -2.568 1.00 0.00 C ATOM 955 O ALA A 67 -4.240 4.787 -1.617 1.00 0.00 O ATOM 956 CB ALA A 67 -5.336 6.985 -3.075 1.00 0.00 C ATOM 0 H ALA A 67 -5.151 4.180 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.578 6.612 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.837 7.673 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.811 7.550 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.094 6.421 -2.531 1.00 0.00 H new