USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 502 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 7 THR OG1 : rot -132:sc= 0.0181 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0211 USER MOD Set 2.1: A 3 HIS : no HE2:sc= 0.7 K(o=0.24,f=-5.1!) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.464 K(o=0.24,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0412 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -120:sc= -0.487 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0725 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 14 CYS SG : rot -121:sc= 0.251 USER MOD Single : A 17 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.093) USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= 1.26 (180deg=-0.749) USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 0.992 (180deg=0.0413) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0349 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= -1.83! USER MOD Single : A 48 THR OG1 : rot 82:sc= 1.07 USER MOD Single : A 49 SER OG : rot 180:sc= 0.184 USER MOD Single : A 54 THR OG1 : rot -110:sc=-0.00969 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 ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.261 -2.729 -0.049 1.00 0.00 N ATOM 2 CA MET A 1 0.092 -2.219 -1.392 1.00 0.00 C ATOM 3 C MET A 1 -1.165 -1.837 -2.163 1.00 0.00 C ATOM 4 O MET A 1 -2.211 -2.446 -1.971 1.00 0.00 O ATOM 5 CB MET A 1 0.878 -3.285 -2.164 1.00 0.00 C ATOM 6 CG MET A 1 1.358 -2.832 -3.537 1.00 0.00 C ATOM 7 SD MET A 1 2.127 -1.198 -3.509 1.00 0.00 S ATOM 8 CE MET A 1 3.093 -1.258 -5.018 1.00 0.00 C ATOM 0 H1 MET A 1 0.033 -2.040 0.672 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.289 -2.872 0.009 1.00 0.00 H new ATOM 0 H3 MET A 1 0.225 -3.633 0.118 1.00 0.00 H new ATOM 0 HA MET A 1 0.713 -1.330 -1.277 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.741 -3.585 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.250 -4.168 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.073 -3.558 -3.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.513 -2.819 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.629 -0.318 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.808 -2.079 -4.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.430 -1.414 -5.869 1.00 0.00 H new ATOM 20 N THR A 2 -1.049 -0.799 -2.994 1.00 0.00 N ATOM 21 CA THR A 2 -2.100 -0.401 -3.934 1.00 0.00 C ATOM 22 C THR A 2 -3.475 -0.224 -3.276 1.00 0.00 C ATOM 23 O THR A 2 -4.268 -1.163 -3.189 1.00 0.00 O ATOM 24 CB THR A 2 -2.199 -1.407 -5.098 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.894 -1.621 -5.655 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.137 -0.901 -6.185 1.00 0.00 C ATOM 0 H THR A 2 -0.219 -0.208 -3.034 1.00 0.00 H new ATOM 0 HA THR A 2 -1.806 0.577 -4.315 1.00 0.00 H new ATOM 0 HB THR A 2 -2.599 -2.343 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.896 -1.363 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.186 -1.632 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.133 -0.754 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.764 0.046 -6.575 1.00 0.00 H new ATOM 34 N HIS A 3 -3.758 0.992 -2.830 1.00 0.00 N ATOM 35 CA HIS A 3 -5.076 1.313 -2.295 1.00 0.00 C ATOM 36 C HIS A 3 -5.892 2.050 -3.342 1.00 0.00 C ATOM 37 O HIS A 3 -5.530 3.145 -3.767 1.00 0.00 O ATOM 38 CB HIS A 3 -4.995 2.179 -1.034 1.00 0.00 C ATOM 39 CG HIS A 3 -3.719 2.053 -0.255 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.790 3.064 -0.173 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.229 1.035 0.488 1.00 0.00 C ATOM 42 CE1 HIS A 3 -1.786 2.675 0.584 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.025 1.448 1.005 1.00 0.00 N ATOM 0 H HIS A 3 -3.098 1.769 -2.827 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.552 0.369 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.126 3.223 -1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.828 1.920 -0.381 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.867 3.974 -0.628 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.697 0.075 0.646 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.912 3.263 0.821 1.00 0.00 H new ATOM 52 N LEU A 4 -6.987 1.448 -3.754 1.00 0.00 N ATOM 53 CA LEU A 4 -7.873 2.060 -4.731 1.00 0.00 C ATOM 54 C LEU A 4 -9.197 2.413 -4.075 1.00 0.00 C ATOM 55 O LEU A 4 -9.745 1.618 -3.317 1.00 0.00 O ATOM 56 CB LEU A 4 -8.115 1.110 -5.908 1.00 0.00 C ATOM 57 CG LEU A 4 -6.867 0.670 -6.680 1.00 0.00 C ATOM 58 CD1 LEU A 4 -7.262 -0.154 -7.895 1.00 0.00 C ATOM 59 CD2 LEU A 4 -6.039 1.875 -7.099 1.00 0.00 C ATOM 0 H LEU A 4 -7.289 0.530 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.401 2.968 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.620 0.219 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.798 1.594 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.257 0.051 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.365 -0.460 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.811 -1.039 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.893 0.445 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.158 1.539 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.638 2.523 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.727 2.428 -6.213 1.00 0.00 H new ATOM 71 N LYS A 5 -9.704 3.603 -4.350 1.00 0.00 N ATOM 72 CA LYS A 5 -10.976 4.026 -3.781 1.00 0.00 C ATOM 73 C LYS A 5 -12.105 3.717 -4.754 1.00 0.00 C ATOM 74 O LYS A 5 -12.063 4.123 -5.915 1.00 0.00 O ATOM 75 CB LYS A 5 -10.974 5.522 -3.441 1.00 0.00 C ATOM 76 CG LYS A 5 -9.627 6.212 -3.619 1.00 0.00 C ATOM 77 CD LYS A 5 -9.798 7.669 -4.021 1.00 0.00 C ATOM 78 CE LYS A 5 -9.752 8.596 -2.816 1.00 0.00 C ATOM 79 NZ LYS A 5 -8.503 9.405 -2.778 1.00 0.00 N ATOM 0 H LYS A 5 -9.260 4.290 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.129 3.474 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.710 6.025 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.297 5.647 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.061 6.154 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.046 5.689 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.012 7.947 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.748 7.794 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.614 9.262 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.829 8.006 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.514 10.022 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.680 8.771 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.441 9.988 -3.637 1.00 0.00 H new ATOM 93 N ILE A 6 -13.101 2.989 -4.285 1.00 0.00 N ATOM 94 CA ILE A 6 -14.227 2.624 -5.121 1.00 0.00 C ATOM 95 C ILE A 6 -15.259 3.747 -5.120 1.00 0.00 C ATOM 96 O ILE A 6 -15.645 4.247 -4.062 1.00 0.00 O ATOM 97 CB ILE A 6 -14.879 1.316 -4.635 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.813 0.250 -4.342 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.877 0.800 -5.664 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.025 -0.187 -5.562 1.00 0.00 C ATOM 0 H ILE A 6 -13.152 2.639 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.860 2.466 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.414 1.528 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.121 0.639 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.297 -0.622 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.327 -0.125 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.656 1.546 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.363 0.609 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.293 -0.941 -5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.705 -0.608 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.510 0.673 -5.990 1.00 0.00 H new ATOM 112 N THR A 7 -15.692 4.144 -6.303 1.00 0.00 N ATOM 113 CA THR A 7 -16.582 5.280 -6.446 1.00 0.00 C ATOM 114 C THR A 7 -17.885 4.878 -7.108 1.00 0.00 C ATOM 115 O THR A 7 -17.937 3.928 -7.902 1.00 0.00 O ATOM 116 CB THR A 7 -15.908 6.407 -7.247 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.568 6.019 -7.583 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.879 7.698 -6.447 1.00 0.00 C ATOM 0 H THR A 7 -15.440 3.693 -7.182 1.00 0.00 H new ATOM 0 HA THR A 7 -16.806 5.648 -5.445 1.00 0.00 H new ATOM 0 HB THR A 7 -16.484 6.578 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.953 6.753 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.398 8.480 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.898 8.000 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.320 7.542 -5.524 1.00 0.00 H new ATOM 126 N GLY A 8 -18.935 5.607 -6.767 1.00 0.00 N ATOM 127 CA GLY A 8 -20.267 5.218 -7.153 1.00 0.00 C ATOM 128 C GLY A 8 -20.775 4.140 -6.227 1.00 0.00 C ATOM 129 O GLY A 8 -21.633 4.380 -5.385 1.00 0.00 O ATOM 0 H GLY A 8 -18.883 6.469 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.932 6.081 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -20.266 4.856 -8.181 1.00 0.00 H new ATOM 133 N MET A 9 -20.212 2.954 -6.368 1.00 0.00 N ATOM 134 CA MET A 9 -20.558 1.827 -5.512 1.00 0.00 C ATOM 135 C MET A 9 -19.638 1.809 -4.299 1.00 0.00 C ATOM 136 O MET A 9 -18.679 1.046 -4.249 1.00 0.00 O ATOM 137 CB MET A 9 -20.475 0.514 -6.290 1.00 0.00 C ATOM 138 CG MET A 9 -21.204 0.560 -7.617 1.00 0.00 C ATOM 139 SD MET A 9 -22.554 -0.630 -7.709 1.00 0.00 S ATOM 140 CE MET A 9 -23.829 0.361 -8.486 1.00 0.00 C ATOM 0 H MET A 9 -19.506 2.742 -7.073 1.00 0.00 H new ATOM 0 HA MET A 9 -21.586 1.939 -5.168 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.428 0.269 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.892 -0.289 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.598 1.564 -7.776 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.497 0.364 -8.423 1.00 0.00 H new ATOM 0 HE1 MET A 9 -24.730 -0.239 -8.611 1.00 0.00 H new ATOM 0 HE2 MET A 9 -24.052 1.224 -7.859 1.00 0.00 H new ATOM 0 HE3 MET A 9 -23.481 0.701 -9.461 1.00 0.00 H new ATOM 150 N THR A 10 -19.939 2.647 -3.325 1.00 0.00 N ATOM 151 CA THR A 10 -19.006 2.936 -2.248 1.00 0.00 C ATOM 152 C THR A 10 -19.119 1.969 -1.069 1.00 0.00 C ATOM 153 O THR A 10 -18.535 2.218 -0.013 1.00 0.00 O ATOM 154 CB THR A 10 -19.231 4.365 -1.731 1.00 0.00 C ATOM 155 OG1 THR A 10 -20.240 5.011 -2.524 1.00 0.00 O ATOM 156 CG2 THR A 10 -17.940 5.174 -1.768 1.00 0.00 C ATOM 0 H THR A 10 -20.828 3.143 -3.256 1.00 0.00 H new ATOM 0 HA THR A 10 -18.009 2.821 -2.672 1.00 0.00 H new ATOM 0 HB THR A 10 -19.562 4.308 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 10 -20.384 5.922 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.131 6.181 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.190 4.692 -1.141 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.574 5.229 -2.793 1.00 0.00 H new ATOM 164 N CYS A 11 -19.843 0.867 -1.230 1.00 0.00 N ATOM 165 CA CYS A 11 -20.070 -0.019 -0.097 1.00 0.00 C ATOM 166 C CYS A 11 -20.462 -1.432 -0.515 1.00 0.00 C ATOM 167 O CYS A 11 -21.013 -1.628 -1.588 1.00 0.00 O ATOM 168 CB CYS A 11 -21.149 0.565 0.809 1.00 0.00 C ATOM 169 SG CYS A 11 -22.599 1.195 -0.067 1.00 0.00 S ATOM 0 H CYS A 11 -20.271 0.572 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.124 -0.095 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.470 -0.203 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.714 1.374 1.396 1.00 0.00 H new ATOM 0 HG CYS A 11 -23.454 1.666 0.792 1.00 0.00 H new ATOM 175 N ASP A 12 -20.027 -2.385 0.325 1.00 0.00 N ATOM 176 CA ASP A 12 -20.500 -3.794 0.412 1.00 0.00 C ATOM 177 C ASP A 12 -21.197 -4.394 -0.817 1.00 0.00 C ATOM 178 O ASP A 12 -22.083 -3.797 -1.420 1.00 0.00 O ATOM 179 CB ASP A 12 -21.409 -3.954 1.628 1.00 0.00 C ATOM 180 CG ASP A 12 -21.457 -5.387 2.122 1.00 0.00 C ATOM 181 OD1 ASP A 12 -20.646 -6.207 1.648 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.309 -5.696 2.983 1.00 0.00 O ATOM 0 H ASP A 12 -19.292 -2.191 1.006 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.574 -4.364 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.057 -3.306 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.416 -3.626 1.372 1.00 0.00 H new ATOM 187 N SER A 13 -20.840 -5.653 -1.102 1.00 0.00 N ATOM 188 CA SER A 13 -21.356 -6.402 -2.252 1.00 0.00 C ATOM 189 C SER A 13 -20.800 -5.837 -3.553 1.00 0.00 C ATOM 190 O SER A 13 -20.234 -6.568 -4.365 1.00 0.00 O ATOM 191 CB SER A 13 -22.889 -6.408 -2.267 1.00 0.00 C ATOM 192 OG SER A 13 -23.413 -6.790 -1.002 1.00 0.00 O ATOM 0 H SER A 13 -20.179 -6.184 -0.535 1.00 0.00 H new ATOM 0 HA SER A 13 -21.023 -7.436 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.257 -5.417 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.245 -7.096 -3.034 1.00 0.00 H new ATOM 0 HG SER A 13 -24.392 -6.784 -1.038 1.00 0.00 H new ATOM 198 N CYS A 14 -20.940 -4.533 -3.729 1.00 0.00 N ATOM 199 CA CYS A 14 -20.342 -3.844 -4.853 1.00 0.00 C ATOM 200 C CYS A 14 -18.830 -3.942 -4.762 1.00 0.00 C ATOM 201 O CYS A 14 -18.149 -4.249 -5.741 1.00 0.00 O ATOM 202 CB CYS A 14 -20.784 -2.384 -4.852 1.00 0.00 C ATOM 203 SG CYS A 14 -22.537 -2.153 -4.469 1.00 0.00 S ATOM 0 H CYS A 14 -21.468 -3.929 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.668 -4.307 -5.784 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.187 -1.834 -4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.575 -1.950 -5.830 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.122 -1.549 -5.460 1.00 0.00 H new ATOM 209 N ALA A 15 -18.316 -3.715 -3.558 1.00 0.00 N ATOM 210 CA ALA A 15 -16.888 -3.837 -3.304 1.00 0.00 C ATOM 211 C ALA A 15 -16.443 -5.288 -3.453 1.00 0.00 C ATOM 212 O ALA A 15 -15.314 -5.568 -3.856 1.00 0.00 O ATOM 213 CB ALA A 15 -16.558 -3.313 -1.915 1.00 0.00 C ATOM 0 H ALA A 15 -18.868 -3.446 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.348 -3.239 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.487 -3.409 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.845 -2.264 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.104 -3.890 -1.169 1.00 0.00 H new ATOM 219 N ALA A 16 -17.355 -6.207 -3.160 1.00 0.00 N ATOM 220 CA ALA A 16 -17.055 -7.630 -3.236 1.00 0.00 C ATOM 221 C ALA A 16 -17.018 -8.090 -4.687 1.00 0.00 C ATOM 222 O ALA A 16 -16.199 -8.928 -5.063 1.00 0.00 O ATOM 223 CB ALA A 16 -18.075 -8.433 -2.446 1.00 0.00 C ATOM 0 H ALA A 16 -18.308 -5.992 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.072 -7.799 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.835 -9.494 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.053 -8.122 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.070 -8.259 -2.855 1.00 0.00 H new ATOM 229 N HIS A 17 -17.912 -7.528 -5.496 1.00 0.00 N ATOM 230 CA HIS A 17 -17.948 -7.809 -6.922 1.00 0.00 C ATOM 231 C HIS A 17 -16.650 -7.357 -7.569 1.00 0.00 C ATOM 232 O HIS A 17 -16.057 -8.079 -8.375 1.00 0.00 O ATOM 233 CB HIS A 17 -19.131 -7.090 -7.571 1.00 0.00 C ATOM 234 CG HIS A 17 -20.312 -7.974 -7.819 1.00 0.00 C ATOM 235 ND1 HIS A 17 -21.611 -7.535 -7.714 1.00 0.00 N ATOM 236 CD2 HIS A 17 -20.388 -9.283 -8.159 1.00 0.00 C ATOM 237 CE1 HIS A 17 -22.435 -8.531 -7.974 1.00 0.00 C ATOM 238 NE2 HIS A 17 -21.720 -9.607 -8.246 1.00 0.00 N ATOM 0 H HIS A 17 -18.625 -6.870 -5.182 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.066 -8.883 -7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.437 -6.262 -6.931 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.807 -6.658 -8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.555 -9.949 -8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -23.514 -8.476 -7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -22.094 -10.526 -8.482 1.00 0.00 H new ATOM 247 N VAL A 18 -16.216 -6.159 -7.196 1.00 0.00 N ATOM 248 CA VAL A 18 -14.955 -5.615 -7.669 1.00 0.00 C ATOM 249 C VAL A 18 -13.800 -6.491 -7.197 1.00 0.00 C ATOM 250 O VAL A 18 -12.931 -6.868 -7.981 1.00 0.00 O ATOM 251 CB VAL A 18 -14.750 -4.167 -7.161 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.322 -3.695 -7.393 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.743 -3.225 -7.822 1.00 0.00 C ATOM 0 H VAL A 18 -16.726 -5.544 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.980 -5.599 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.929 -4.161 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.212 -2.675 -7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.632 -4.349 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.099 -3.722 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.584 -2.212 -7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.599 -3.244 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.759 -3.542 -7.585 1.00 0.00 H new ATOM 263 N LYS A 19 -13.827 -6.828 -5.912 1.00 0.00 N ATOM 264 CA LYS A 19 -12.802 -7.668 -5.305 1.00 0.00 C ATOM 265 C LYS A 19 -12.657 -8.984 -6.063 1.00 0.00 C ATOM 266 O LYS A 19 -11.556 -9.367 -6.454 1.00 0.00 O ATOM 267 CB LYS A 19 -13.151 -7.931 -3.833 1.00 0.00 C ATOM 268 CG LYS A 19 -12.532 -9.194 -3.255 1.00 0.00 C ATOM 269 CD LYS A 19 -13.546 -9.982 -2.443 1.00 0.00 C ATOM 270 CE LYS A 19 -13.500 -11.462 -2.782 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.388 -12.154 -2.076 1.00 0.00 N ATOM 0 H LYS A 19 -14.556 -6.528 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.847 -7.145 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.827 -7.077 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.235 -7.995 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.147 -9.816 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.683 -8.930 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.348 -9.845 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.547 -9.595 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.448 -11.927 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.380 -11.585 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.714 -12.529 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.901 -11.480 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.771 -12.937 -1.509 1.00 0.00 H new ATOM 285 N GLU A 20 -13.776 -9.659 -6.281 1.00 0.00 N ATOM 286 CA GLU A 20 -13.768 -10.941 -6.965 1.00 0.00 C ATOM 287 C GLU A 20 -13.330 -10.783 -8.421 1.00 0.00 C ATOM 288 O GLU A 20 -12.579 -11.615 -8.950 1.00 0.00 O ATOM 289 CB GLU A 20 -15.152 -11.601 -6.850 1.00 0.00 C ATOM 290 CG GLU A 20 -15.785 -12.003 -8.172 1.00 0.00 C ATOM 291 CD GLU A 20 -16.058 -13.488 -8.254 1.00 0.00 C ATOM 292 OE1 GLU A 20 -15.103 -14.280 -8.115 1.00 0.00 O ATOM 293 OE2 GLU A 20 -17.228 -13.869 -8.452 1.00 0.00 O ATOM 0 H GLU A 20 -14.701 -9.339 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.040 -11.596 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.064 -12.488 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.824 -10.913 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.719 -11.457 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.126 -11.712 -8.990 1.00 0.00 H new ATOM 300 N ALA A 21 -13.768 -9.698 -9.053 1.00 0.00 N ATOM 301 CA ALA A 21 -13.409 -9.439 -10.440 1.00 0.00 C ATOM 302 C ALA A 21 -11.902 -9.284 -10.565 1.00 0.00 C ATOM 303 O ALA A 21 -11.288 -9.774 -11.516 1.00 0.00 O ATOM 304 CB ALA A 21 -14.116 -8.194 -10.955 1.00 0.00 C ATOM 0 H ALA A 21 -14.367 -8.990 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.729 -10.286 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.834 -8.019 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.195 -8.336 -10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.826 -7.335 -10.350 1.00 0.00 H new ATOM 310 N LEU A 22 -11.316 -8.600 -9.593 1.00 0.00 N ATOM 311 CA LEU A 22 -9.878 -8.407 -9.549 1.00 0.00 C ATOM 312 C LEU A 22 -9.169 -9.725 -9.266 1.00 0.00 C ATOM 313 O LEU A 22 -8.205 -10.081 -9.939 1.00 0.00 O ATOM 314 CB LEU A 22 -9.517 -7.362 -8.494 1.00 0.00 C ATOM 315 CG LEU A 22 -10.077 -5.960 -8.760 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.927 -5.081 -7.527 1.00 0.00 C ATOM 317 CD2 LEU A 22 -9.386 -5.328 -9.961 1.00 0.00 C ATOM 0 H LEU A 22 -11.821 -8.167 -8.820 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.546 -8.045 -10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.879 -7.705 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.431 -7.297 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.139 -6.050 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.330 -4.090 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.471 -5.526 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.872 -4.996 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.796 -4.333 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.316 -5.250 -9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.550 -5.947 -10.843 1.00 0.00 H new ATOM 329 N GLU A 23 -9.679 -10.456 -8.279 1.00 0.00 N ATOM 330 CA GLU A 23 -9.084 -11.719 -7.856 1.00 0.00 C ATOM 331 C GLU A 23 -9.243 -12.807 -8.914 1.00 0.00 C ATOM 332 O GLU A 23 -8.620 -13.864 -8.823 1.00 0.00 O ATOM 333 CB GLU A 23 -9.708 -12.178 -6.541 1.00 0.00 C ATOM 334 CG GLU A 23 -8.908 -11.753 -5.323 1.00 0.00 C ATOM 335 CD GLU A 23 -9.633 -12.006 -4.020 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.697 -12.667 -4.052 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.153 -11.550 -2.960 1.00 0.00 O ATOM 0 H GLU A 23 -10.512 -10.191 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.017 -11.548 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.718 -11.774 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.799 -13.264 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.959 -12.289 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.674 -10.691 -5.402 1.00 0.00 H new ATOM 344 N LYS A 24 -10.086 -12.556 -9.909 1.00 0.00 N ATOM 345 CA LYS A 24 -10.210 -13.474 -11.037 1.00 0.00 C ATOM 346 C LYS A 24 -8.983 -13.349 -11.939 1.00 0.00 C ATOM 347 O LYS A 24 -8.674 -14.244 -12.728 1.00 0.00 O ATOM 348 CB LYS A 24 -11.485 -13.185 -11.834 1.00 0.00 C ATOM 349 CG LYS A 24 -12.328 -14.423 -12.107 1.00 0.00 C ATOM 350 CD LYS A 24 -13.482 -14.533 -11.125 1.00 0.00 C ATOM 351 CE LYS A 24 -14.349 -15.749 -11.408 1.00 0.00 C ATOM 352 NZ LYS A 24 -15.446 -15.891 -10.414 1.00 0.00 N ATOM 0 H LYS A 24 -10.688 -11.734 -9.959 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.273 -14.493 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.087 -12.459 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.213 -12.724 -12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.716 -14.384 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.703 -15.313 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.091 -14.594 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.092 -13.631 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.774 -15.667 -12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.731 -16.646 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.623 -16.900 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.173 -15.424 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.311 -15.449 -10.786 1.00 0.00 H new ATOM 366 N VAL A 25 -8.288 -12.229 -11.802 1.00 0.00 N ATOM 367 CA VAL A 25 -7.049 -11.992 -12.520 1.00 0.00 C ATOM 368 C VAL A 25 -5.877 -12.596 -11.745 1.00 0.00 C ATOM 369 O VAL A 25 -5.675 -12.275 -10.575 1.00 0.00 O ATOM 370 CB VAL A 25 -6.822 -10.479 -12.728 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.442 -10.199 -13.309 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.906 -9.899 -13.622 1.00 0.00 C ATOM 0 H VAL A 25 -8.568 -11.462 -11.191 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.116 -12.468 -13.498 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.876 -9.995 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.315 -9.125 -13.443 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.678 -10.573 -12.628 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.345 -10.699 -14.273 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.732 -8.832 -13.759 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.884 -10.398 -14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.880 -10.051 -13.158 1.00 0.00 H new ATOM 382 N PRO A 26 -5.091 -13.479 -12.391 1.00 0.00 N ATOM 383 CA PRO A 26 -3.965 -14.180 -11.750 1.00 0.00 C ATOM 384 C PRO A 26 -2.898 -13.234 -11.195 1.00 0.00 C ATOM 385 O PRO A 26 -2.067 -13.635 -10.381 1.00 0.00 O ATOM 386 CB PRO A 26 -3.374 -15.030 -12.882 1.00 0.00 C ATOM 387 CG PRO A 26 -4.469 -15.155 -13.880 1.00 0.00 C ATOM 388 CD PRO A 26 -5.245 -13.874 -13.798 1.00 0.00 C ATOM 0 HA PRO A 26 -4.304 -14.755 -10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.496 -14.553 -13.317 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.058 -16.008 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.069 -15.306 -14.883 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.105 -16.012 -13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.847 -13.118 -14.475 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.292 -14.020 -14.063 1.00 0.00 H new ATOM 396 N GLY A 27 -2.920 -11.986 -11.646 1.00 0.00 N ATOM 397 CA GLY A 27 -1.961 -11.006 -11.166 1.00 0.00 C ATOM 398 C GLY A 27 -2.286 -10.517 -9.769 1.00 0.00 C ATOM 399 O GLY A 27 -1.444 -9.920 -9.102 1.00 0.00 O ATOM 0 H GLY A 27 -3.584 -11.634 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.963 -11.445 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.940 -10.157 -11.850 1.00 0.00 H new ATOM 403 N VAL A 28 -3.511 -10.757 -9.327 1.00 0.00 N ATOM 404 CA VAL A 28 -3.932 -10.364 -7.993 1.00 0.00 C ATOM 405 C VAL A 28 -3.788 -11.535 -7.028 1.00 0.00 C ATOM 406 O VAL A 28 -4.279 -12.631 -7.295 1.00 0.00 O ATOM 407 CB VAL A 28 -5.394 -9.869 -7.996 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.870 -9.561 -6.584 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.540 -8.648 -8.889 1.00 0.00 C ATOM 0 H VAL A 28 -4.233 -11.224 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.290 -9.546 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.021 -10.667 -8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.903 -9.214 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.808 -10.463 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.240 -8.785 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.577 -8.312 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.896 -7.849 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.251 -8.906 -9.908 1.00 0.00 H new ATOM 419 N GLN A 29 -3.099 -11.305 -5.923 1.00 0.00 N ATOM 420 CA GLN A 29 -2.944 -12.329 -4.903 1.00 0.00 C ATOM 421 C GLN A 29 -4.069 -12.225 -3.884 1.00 0.00 C ATOM 422 O GLN A 29 -4.661 -13.233 -3.492 1.00 0.00 O ATOM 423 CB GLN A 29 -1.589 -12.204 -4.206 1.00 0.00 C ATOM 424 CG GLN A 29 -0.744 -13.465 -4.292 1.00 0.00 C ATOM 425 CD GLN A 29 0.660 -13.261 -3.759 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.642 -13.367 -4.499 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.770 -12.975 -2.471 1.00 0.00 N ATOM 0 H GLN A 29 -2.639 -10.420 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.990 -13.305 -5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.037 -11.375 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.750 -11.955 -3.157 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.230 -14.263 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.691 -13.793 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.067 -12.896 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.691 -12.834 -2.057 1.00 0.00 H new ATOM 436 N SER A 30 -4.376 -11.001 -3.467 1.00 0.00 N ATOM 437 CA SER A 30 -5.447 -10.773 -2.512 1.00 0.00 C ATOM 438 C SER A 30 -6.029 -9.372 -2.680 1.00 0.00 C ATOM 439 O SER A 30 -5.303 -8.379 -2.645 1.00 0.00 O ATOM 440 CB SER A 30 -4.940 -10.955 -1.076 1.00 0.00 C ATOM 441 OG SER A 30 -3.571 -11.341 -1.042 1.00 0.00 O ATOM 0 H SER A 30 -3.897 -10.155 -3.776 1.00 0.00 H new ATOM 0 HA SER A 30 -6.230 -11.506 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.068 -10.023 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.543 -11.710 -0.571 1.00 0.00 H new ATOM 0 HG SER A 30 -3.284 -11.446 -0.111 1.00 0.00 H new ATOM 447 N ALA A 31 -7.336 -9.298 -2.877 1.00 0.00 N ATOM 448 CA ALA A 31 -8.015 -8.019 -2.988 1.00 0.00 C ATOM 449 C ALA A 31 -8.750 -7.707 -1.692 1.00 0.00 C ATOM 450 O ALA A 31 -9.913 -8.071 -1.523 1.00 0.00 O ATOM 451 CB ALA A 31 -8.977 -8.028 -4.167 1.00 0.00 C ATOM 0 H ALA A 31 -7.947 -10.110 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.274 -7.239 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.477 -7.062 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.423 -8.216 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.720 -8.812 -4.024 1.00 0.00 H new ATOM 457 N LEU A 32 -8.062 -7.051 -0.770 1.00 0.00 N ATOM 458 CA LEU A 32 -8.634 -6.745 0.533 1.00 0.00 C ATOM 459 C LEU A 32 -9.423 -5.441 0.481 1.00 0.00 C ATOM 460 O LEU A 32 -8.961 -4.395 0.937 1.00 0.00 O ATOM 461 CB LEU A 32 -7.533 -6.660 1.593 1.00 0.00 C ATOM 462 CG LEU A 32 -6.367 -7.632 1.399 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.116 -7.109 2.085 1.00 0.00 C ATOM 464 CD2 LEU A 32 -6.727 -9.014 1.925 1.00 0.00 C ATOM 0 H LEU A 32 -7.106 -6.720 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.317 -7.549 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.140 -5.643 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.978 -6.841 2.571 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.164 -7.714 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.298 -7.814 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.845 -6.143 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.307 -6.995 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.885 -9.690 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.959 -8.950 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.595 -9.393 1.386 1.00 0.00 H new ATOM 476 N VAL A 33 -10.613 -5.509 -0.091 1.00 0.00 N ATOM 477 CA VAL A 33 -11.470 -4.343 -0.203 1.00 0.00 C ATOM 478 C VAL A 33 -12.273 -4.157 1.076 1.00 0.00 C ATOM 479 O VAL A 33 -12.968 -5.071 1.523 1.00 0.00 O ATOM 480 CB VAL A 33 -12.435 -4.452 -1.401 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.035 -3.093 -1.728 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.725 -5.033 -2.616 1.00 0.00 C ATOM 0 H VAL A 33 -11.008 -6.363 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.824 -3.480 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.245 -5.128 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.713 -3.189 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.585 -2.721 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.237 -2.394 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.425 -5.101 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.892 -4.387 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.349 -6.028 -2.377 1.00 0.00 H new ATOM 492 N SER A 34 -12.165 -2.979 1.664 1.00 0.00 N ATOM 493 CA SER A 34 -12.863 -2.680 2.898 1.00 0.00 C ATOM 494 C SER A 34 -14.052 -1.763 2.629 1.00 0.00 C ATOM 495 O SER A 34 -13.876 -0.618 2.200 1.00 0.00 O ATOM 496 CB SER A 34 -11.901 -2.037 3.897 1.00 0.00 C ATOM 497 OG SER A 34 -10.553 -2.308 3.545 1.00 0.00 O ATOM 0 H SER A 34 -11.598 -2.212 1.304 1.00 0.00 H new ATOM 0 HA SER A 34 -13.241 -3.609 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.065 -0.960 3.925 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.103 -2.416 4.899 1.00 0.00 H new ATOM 0 HG SER A 34 -9.954 -1.886 4.196 1.00 0.00 H new ATOM 503 N TYR A 35 -15.261 -2.279 2.866 1.00 0.00 N ATOM 504 CA TYR A 35 -16.483 -1.509 2.676 1.00 0.00 C ATOM 505 C TYR A 35 -16.497 -0.233 3.532 1.00 0.00 C ATOM 506 O TYR A 35 -16.716 0.853 3.000 1.00 0.00 O ATOM 507 CB TYR A 35 -17.731 -2.343 2.990 1.00 0.00 C ATOM 508 CG TYR A 35 -17.563 -3.845 2.879 1.00 0.00 C ATOM 509 CD1 TYR A 35 -17.219 -4.428 1.666 1.00 0.00 C ATOM 510 CD2 TYR A 35 -17.709 -4.671 3.986 1.00 0.00 C ATOM 511 CE1 TYR A 35 -17.036 -5.793 1.556 1.00 0.00 C ATOM 512 CE2 TYR A 35 -17.532 -6.037 3.883 1.00 0.00 C ATOM 513 CZ TYR A 35 -17.317 -6.607 2.681 1.00 0.00 C ATOM 514 OH TYR A 35 -17.005 -7.952 2.565 1.00 0.00 O ATOM 0 H TYR A 35 -15.415 -3.233 3.192 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.502 -1.224 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.058 -2.106 4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -18.530 -2.035 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.092 -3.804 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.965 -4.239 4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.686 -6.230 0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.566 -6.651 4.770 1.00 0.00 H new ATOM 0 HH TYR A 35 -17.239 -8.415 3.396 1.00 0.00 H new ATOM 524 N PRO A 36 -16.253 -0.329 4.864 1.00 0.00 N ATOM 525 CA PRO A 36 -16.300 0.841 5.759 1.00 0.00 C ATOM 526 C PRO A 36 -15.231 1.882 5.438 1.00 0.00 C ATOM 527 O PRO A 36 -15.292 3.017 5.916 1.00 0.00 O ATOM 528 CB PRO A 36 -16.055 0.246 7.151 1.00 0.00 C ATOM 529 CG PRO A 36 -15.359 -1.045 6.899 1.00 0.00 C ATOM 530 CD PRO A 36 -15.928 -1.563 5.614 1.00 0.00 C ATOM 0 HA PRO A 36 -17.247 1.372 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.445 0.911 7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.992 0.092 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.281 -0.901 6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.529 -1.748 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.210 -2.183 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.813 -2.175 5.784 1.00 0.00 H new ATOM 538 N LYS A 37 -14.251 1.493 4.636 1.00 0.00 N ATOM 539 CA LYS A 37 -13.169 2.388 4.272 1.00 0.00 C ATOM 540 C LYS A 37 -13.335 2.877 2.838 1.00 0.00 C ATOM 541 O LYS A 37 -12.690 3.839 2.419 1.00 0.00 O ATOM 542 CB LYS A 37 -11.829 1.674 4.437 1.00 0.00 C ATOM 543 CG LYS A 37 -11.136 1.972 5.756 1.00 0.00 C ATOM 544 CD LYS A 37 -10.212 3.168 5.634 1.00 0.00 C ATOM 545 CE LYS A 37 -8.887 2.923 6.338 1.00 0.00 C ATOM 546 NZ LYS A 37 -8.866 3.527 7.695 1.00 0.00 N ATOM 0 H LYS A 37 -14.185 0.562 4.226 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.195 3.255 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.988 0.599 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.171 1.962 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.883 2.164 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.565 1.100 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.031 3.383 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.695 4.047 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.708 1.850 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.075 3.340 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.947 3.339 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.012 4.554 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.625 3.111 8.272 1.00 0.00 H new ATOM 560 N GLY A 38 -14.206 2.203 2.092 1.00 0.00 N ATOM 561 CA GLY A 38 -14.428 2.545 0.701 1.00 0.00 C ATOM 562 C GLY A 38 -13.178 2.375 -0.141 1.00 0.00 C ATOM 563 O GLY A 38 -13.046 2.989 -1.203 1.00 0.00 O ATOM 0 H GLY A 38 -14.765 1.420 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.223 1.918 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.771 3.577 0.633 1.00 0.00 H new ATOM 567 N THR A 39 -12.262 1.538 0.327 1.00 0.00 N ATOM 568 CA THR A 39 -10.982 1.370 -0.341 1.00 0.00 C ATOM 569 C THR A 39 -10.628 -0.099 -0.521 1.00 0.00 C ATOM 570 O THR A 39 -11.036 -0.951 0.267 1.00 0.00 O ATOM 571 CB THR A 39 -9.850 2.060 0.442 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.307 2.419 1.754 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.369 3.301 -0.290 1.00 0.00 C ATOM 0 H THR A 39 -12.382 0.967 1.164 1.00 0.00 H new ATOM 0 HA THR A 39 -11.083 1.834 -1.322 1.00 0.00 H new ATOM 0 HB THR A 39 -9.018 1.361 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.580 2.856 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.569 3.773 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.995 3.021 -1.275 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.197 4.001 -0.402 1.00 0.00 H new ATOM 581 N ALA A 40 -9.870 -0.378 -1.563 1.00 0.00 N ATOM 582 CA ALA A 40 -9.426 -1.724 -1.859 1.00 0.00 C ATOM 583 C ALA A 40 -7.920 -1.839 -1.685 1.00 0.00 C ATOM 584 O ALA A 40 -7.161 -1.135 -2.350 1.00 0.00 O ATOM 585 CB ALA A 40 -9.817 -2.101 -3.278 1.00 0.00 C ATOM 0 H ALA A 40 -9.545 0.323 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.909 -2.410 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.479 -3.115 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.901 -2.050 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.352 -1.408 -3.980 1.00 0.00 H new ATOM 591 N GLN A 41 -7.497 -2.707 -0.777 1.00 0.00 N ATOM 592 CA GLN A 41 -6.079 -2.963 -0.570 1.00 0.00 C ATOM 593 C GLN A 41 -5.654 -4.156 -1.414 1.00 0.00 C ATOM 594 O GLN A 41 -5.865 -5.309 -1.033 1.00 0.00 O ATOM 595 CB GLN A 41 -5.793 -3.229 0.911 1.00 0.00 C ATOM 596 CG GLN A 41 -5.426 -1.981 1.701 1.00 0.00 C ATOM 597 CD GLN A 41 -6.511 -0.918 1.665 1.00 0.00 C ATOM 598 OE1 GLN A 41 -6.412 0.061 0.927 1.00 0.00 O ATOM 599 NE2 GLN A 41 -7.549 -1.097 2.467 1.00 0.00 N ATOM 0 H GLN A 41 -8.116 -3.246 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.508 -2.085 -0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.671 -3.689 1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.979 -3.950 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.230 -2.258 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.502 -1.563 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.595 -1.922 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.302 -0.410 2.487 1.00 0.00 H new ATOM 608 N LEU A 42 -5.071 -3.879 -2.566 1.00 0.00 N ATOM 609 CA LEU A 42 -4.784 -4.921 -3.538 1.00 0.00 C ATOM 610 C LEU A 42 -3.352 -5.426 -3.431 1.00 0.00 C ATOM 611 O LEU A 42 -2.397 -4.695 -3.691 1.00 0.00 O ATOM 612 CB LEU A 42 -5.044 -4.406 -4.954 1.00 0.00 C ATOM 613 CG LEU A 42 -6.466 -4.626 -5.467 1.00 0.00 C ATOM 614 CD1 LEU A 42 -6.998 -3.363 -6.128 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.501 -5.798 -6.435 1.00 0.00 C ATOM 0 H LEU A 42 -4.787 -2.942 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.448 -5.758 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.824 -3.339 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.348 -4.894 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.110 -4.860 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.012 -3.540 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.006 -2.549 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.357 -3.094 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.520 -5.944 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.845 -5.591 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.163 -6.701 -5.926 1.00 0.00 H new ATOM 627 N ALA A 43 -3.209 -6.688 -3.058 1.00 0.00 N ATOM 628 CA ALA A 43 -1.914 -7.332 -3.059 1.00 0.00 C ATOM 629 C ALA A 43 -1.675 -7.958 -4.422 1.00 0.00 C ATOM 630 O ALA A 43 -2.056 -9.104 -4.666 1.00 0.00 O ATOM 631 CB ALA A 43 -1.833 -8.377 -1.958 1.00 0.00 C ATOM 0 H ALA A 43 -3.978 -7.284 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.139 -6.591 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.851 -8.849 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.988 -7.899 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.602 -9.133 -2.116 1.00 0.00 H new ATOM 637 N ILE A 44 -1.088 -7.185 -5.319 1.00 0.00 N ATOM 638 CA ILE A 44 -0.860 -7.634 -6.682 1.00 0.00 C ATOM 639 C ILE A 44 0.560 -8.151 -6.859 1.00 0.00 C ATOM 640 O ILE A 44 1.464 -7.798 -6.101 1.00 0.00 O ATOM 641 CB ILE A 44 -1.117 -6.509 -7.708 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.826 -5.136 -7.093 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.548 -6.573 -8.217 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.179 -4.167 -8.057 1.00 0.00 C ATOM 0 H ILE A 44 -0.759 -6.239 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.567 -8.443 -6.864 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.442 -6.654 -8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.759 -4.705 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.175 -5.265 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.713 -5.774 -8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.721 -7.537 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.237 -6.455 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.002 -3.217 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.770 -4.577 -8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.838 -4.008 -8.911 1.00 0.00 H new ATOM 656 N VAL A 45 0.743 -8.990 -7.863 1.00 0.00 N ATOM 657 CA VAL A 45 2.047 -9.537 -8.180 1.00 0.00 C ATOM 658 C VAL A 45 2.805 -8.562 -9.074 1.00 0.00 C ATOM 659 O VAL A 45 2.236 -8.039 -10.038 1.00 0.00 O ATOM 660 CB VAL A 45 1.920 -10.903 -8.891 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.286 -11.492 -9.205 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.105 -11.871 -8.047 1.00 0.00 C ATOM 0 H VAL A 45 -0.005 -9.309 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 45 2.593 -9.687 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 45 1.400 -10.740 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.162 -12.453 -9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.834 -10.812 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.843 -11.634 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.026 -12.827 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.596 -12.018 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.107 -11.462 -7.886 1.00 0.00 H new ATOM 672 N PRO A 46 4.082 -8.279 -8.745 1.00 0.00 N ATOM 673 CA PRO A 46 4.946 -7.392 -9.529 1.00 0.00 C ATOM 674 C PRO A 46 4.821 -7.638 -11.031 1.00 0.00 C ATOM 675 O PRO A 46 4.865 -8.781 -11.492 1.00 0.00 O ATOM 676 CB PRO A 46 6.366 -7.727 -9.039 1.00 0.00 C ATOM 677 CG PRO A 46 6.214 -8.835 -8.042 1.00 0.00 C ATOM 678 CD PRO A 46 4.788 -8.792 -7.570 1.00 0.00 C ATOM 0 HA PRO A 46 4.679 -6.344 -9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.002 -8.035 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.836 -6.855 -8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.443 -9.799 -8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.903 -8.703 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.427 -9.778 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.666 -8.139 -6.706 1.00 0.00 H new ATOM 686 N GLY A 47 4.660 -6.564 -11.782 1.00 0.00 N ATOM 687 CA GLY A 47 4.407 -6.681 -13.202 1.00 0.00 C ATOM 688 C GLY A 47 3.041 -6.138 -13.561 1.00 0.00 C ATOM 689 O GLY A 47 2.876 -5.458 -14.576 1.00 0.00 O ATOM 0 H GLY A 47 4.700 -5.607 -11.433 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.174 -6.140 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.476 -7.727 -13.501 1.00 0.00 H new ATOM 693 N THR A 48 2.058 -6.443 -12.723 1.00 0.00 N ATOM 694 CA THR A 48 0.716 -5.915 -12.889 1.00 0.00 C ATOM 695 C THR A 48 0.656 -4.462 -12.452 1.00 0.00 C ATOM 696 O THR A 48 0.941 -4.140 -11.300 1.00 0.00 O ATOM 697 CB THR A 48 -0.305 -6.737 -12.084 1.00 0.00 C ATOM 698 OG1 THR A 48 0.210 -8.057 -11.852 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.633 -6.830 -12.822 1.00 0.00 C ATOM 0 H THR A 48 2.170 -7.058 -11.917 1.00 0.00 H new ATOM 0 HA THR A 48 0.463 -5.982 -13.947 1.00 0.00 H new ATOM 0 HB THR A 48 -0.474 -6.235 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.822 -8.039 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.337 -7.416 -12.232 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.034 -5.828 -12.976 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.480 -7.312 -13.788 1.00 0.00 H new ATOM 707 N SER A 49 0.301 -3.592 -13.377 1.00 0.00 N ATOM 708 CA SER A 49 0.214 -2.178 -13.089 1.00 0.00 C ATOM 709 C SER A 49 -1.037 -1.879 -12.266 1.00 0.00 C ATOM 710 O SER A 49 -2.123 -2.359 -12.585 1.00 0.00 O ATOM 711 CB SER A 49 0.197 -1.390 -14.396 1.00 0.00 C ATOM 712 OG SER A 49 -0.024 -2.254 -15.500 1.00 0.00 O ATOM 0 H SER A 49 0.068 -3.843 -14.338 1.00 0.00 H new ATOM 0 HA SER A 49 1.084 -1.877 -12.505 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.585 -0.632 -14.359 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.144 -0.865 -14.522 1.00 0.00 H new ATOM 0 HG SER A 49 -0.033 -1.730 -16.328 1.00 0.00 H new ATOM 718 N PRO A 50 -0.906 -1.098 -11.186 1.00 0.00 N ATOM 719 CA PRO A 50 -2.042 -0.734 -10.339 1.00 0.00 C ATOM 720 C PRO A 50 -3.110 0.048 -11.095 1.00 0.00 C ATOM 721 O PRO A 50 -4.282 0.025 -10.722 1.00 0.00 O ATOM 722 CB PRO A 50 -1.421 0.128 -9.234 1.00 0.00 C ATOM 723 CG PRO A 50 0.033 -0.201 -9.256 1.00 0.00 C ATOM 724 CD PRO A 50 0.357 -0.533 -10.685 1.00 0.00 C ATOM 0 HA PRO A 50 -2.556 -1.618 -9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.588 1.189 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.862 -0.098 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.630 0.641 -8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.253 -1.043 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.655 0.352 -11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.176 -1.248 -10.758 1.00 0.00 H new ATOM 732 N ASP A 51 -2.702 0.701 -12.175 1.00 0.00 N ATOM 733 CA ASP A 51 -3.616 1.462 -13.014 1.00 0.00 C ATOM 734 C ASP A 51 -4.537 0.517 -13.754 1.00 0.00 C ATOM 735 O ASP A 51 -5.643 0.878 -14.164 1.00 0.00 O ATOM 736 CB ASP A 51 -2.813 2.310 -14.003 1.00 0.00 C ATOM 737 CG ASP A 51 -3.356 2.285 -15.421 1.00 0.00 C ATOM 738 OD1 ASP A 51 -3.036 1.336 -16.169 1.00 0.00 O ATOM 739 OD2 ASP A 51 -4.117 3.206 -15.789 1.00 0.00 O ATOM 0 H ASP A 51 -1.733 0.718 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.221 2.122 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.794 3.341 -13.650 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.781 1.958 -14.014 1.00 0.00 H new ATOM 744 N ALA A 52 -4.077 -0.711 -13.891 1.00 0.00 N ATOM 745 CA ALA A 52 -4.814 -1.715 -14.630 1.00 0.00 C ATOM 746 C ALA A 52 -6.037 -2.144 -13.844 1.00 0.00 C ATOM 747 O ALA A 52 -7.090 -2.412 -14.411 1.00 0.00 O ATOM 748 CB ALA A 52 -3.931 -2.910 -14.956 1.00 0.00 C ATOM 0 H ALA A 52 -3.194 -1.037 -13.499 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.142 -1.280 -15.574 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.509 -3.649 -15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.085 -2.583 -15.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.566 -3.356 -14.031 1.00 0.00 H new ATOM 754 N LEU A 53 -5.896 -2.159 -12.530 1.00 0.00 N ATOM 755 CA LEU A 53 -6.988 -2.529 -11.649 1.00 0.00 C ATOM 756 C LEU A 53 -8.021 -1.415 -11.625 1.00 0.00 C ATOM 757 O LEU A 53 -9.223 -1.663 -11.708 1.00 0.00 O ATOM 758 CB LEU A 53 -6.464 -2.801 -10.240 1.00 0.00 C ATOM 759 CG LEU A 53 -5.195 -3.652 -10.179 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.344 -3.259 -8.984 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.548 -5.129 -10.119 1.00 0.00 C ATOM 0 H LEU A 53 -5.030 -1.918 -12.048 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.456 -3.440 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.268 -1.847 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.246 -3.299 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.617 -3.472 -11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.446 -3.876 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.061 -2.210 -9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.913 -3.409 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.633 -5.720 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.148 -5.324 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.116 -5.404 -11.008 1.00 0.00 H new ATOM 773 N THR A 54 -7.535 -0.186 -11.542 1.00 0.00 N ATOM 774 CA THR A 54 -8.397 0.983 -11.551 1.00 0.00 C ATOM 775 C THR A 54 -9.218 1.037 -12.831 1.00 0.00 C ATOM 776 O THR A 54 -10.444 1.193 -12.796 1.00 0.00 O ATOM 777 CB THR A 54 -7.563 2.269 -11.427 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.237 1.942 -10.995 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.192 3.239 -10.443 1.00 0.00 C ATOM 0 H THR A 54 -6.540 0.027 -11.467 1.00 0.00 H new ATOM 0 HA THR A 54 -9.071 0.907 -10.698 1.00 0.00 H new ATOM 0 HB THR A 54 -7.528 2.748 -12.405 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.105 2.257 -10.076 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.580 4.138 -10.377 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.192 3.505 -10.784 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.256 2.771 -9.461 1.00 0.00 H new ATOM 787 N ALA A 55 -8.536 0.888 -13.959 1.00 0.00 N ATOM 788 CA ALA A 55 -9.196 0.915 -15.255 1.00 0.00 C ATOM 789 C ALA A 55 -10.118 -0.282 -15.417 1.00 0.00 C ATOM 790 O ALA A 55 -11.166 -0.181 -16.053 1.00 0.00 O ATOM 791 CB ALA A 55 -8.174 0.961 -16.377 1.00 0.00 C ATOM 0 H ALA A 55 -7.527 0.747 -14.001 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.802 1.819 -15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.689 0.981 -17.338 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.562 1.857 -16.275 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.537 0.078 -16.325 1.00 0.00 H new ATOM 797 N ALA A 56 -9.727 -1.413 -14.841 1.00 0.00 N ATOM 798 CA ALA A 56 -10.564 -2.602 -14.879 1.00 0.00 C ATOM 799 C ALA A 56 -11.877 -2.357 -14.151 1.00 0.00 C ATOM 800 O ALA A 56 -12.945 -2.695 -14.658 1.00 0.00 O ATOM 801 CB ALA A 56 -9.840 -3.796 -14.276 1.00 0.00 C ATOM 0 H ALA A 56 -8.843 -1.530 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.782 -2.826 -15.923 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.487 -4.672 -14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.928 -3.992 -14.841 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.585 -3.581 -13.238 1.00 0.00 H new ATOM 807 N VAL A 57 -11.794 -1.754 -12.968 1.00 0.00 N ATOM 808 CA VAL A 57 -12.985 -1.447 -12.189 1.00 0.00 C ATOM 809 C VAL A 57 -13.832 -0.385 -12.886 1.00 0.00 C ATOM 810 O VAL A 57 -15.044 -0.551 -13.044 1.00 0.00 O ATOM 811 CB VAL A 57 -12.633 -0.969 -10.767 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.893 -0.682 -9.965 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.770 -1.995 -10.051 1.00 0.00 C ATOM 0 H VAL A 57 -10.917 -1.470 -12.531 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.557 -2.371 -12.109 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.065 -0.043 -10.855 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.619 -0.346 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.472 0.096 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.492 -1.590 -9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.534 -1.636 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.310 -2.939 -9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.846 -2.146 -10.609 1.00 0.00 H new ATOM 823 N ALA A 58 -13.190 0.703 -13.315 1.00 0.00 N ATOM 824 CA ALA A 58 -13.892 1.785 -13.992 1.00 0.00 C ATOM 825 C ALA A 58 -14.454 1.342 -15.340 1.00 0.00 C ATOM 826 O ALA A 58 -15.359 1.978 -15.883 1.00 0.00 O ATOM 827 CB ALA A 58 -12.980 2.987 -14.165 1.00 0.00 C ATOM 0 H ALA A 58 -12.187 0.854 -13.204 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.735 2.070 -13.363 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.522 3.785 -14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.650 3.337 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.112 2.703 -14.760 1.00 0.00 H new ATOM 833 N GLY A 59 -13.908 0.261 -15.883 1.00 0.00 N ATOM 834 CA GLY A 59 -14.413 -0.280 -17.129 1.00 0.00 C ATOM 835 C GLY A 59 -15.383 -1.418 -16.895 1.00 0.00 C ATOM 836 O GLY A 59 -15.848 -2.054 -17.839 1.00 0.00 O ATOM 0 H GLY A 59 -13.123 -0.251 -15.481 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.908 0.510 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.579 -0.632 -17.737 1.00 0.00 H new ATOM 840 N LEU A 60 -15.694 -1.674 -15.630 1.00 0.00 N ATOM 841 CA LEU A 60 -16.596 -2.756 -15.269 1.00 0.00 C ATOM 842 C LEU A 60 -17.946 -2.216 -14.825 1.00 0.00 C ATOM 843 O LEU A 60 -18.726 -2.914 -14.175 1.00 0.00 O ATOM 844 CB LEU A 60 -15.985 -3.608 -14.160 1.00 0.00 C ATOM 845 CG LEU A 60 -15.452 -4.968 -14.608 1.00 0.00 C ATOM 846 CD1 LEU A 60 -14.612 -5.592 -13.508 1.00 0.00 C ATOM 847 CD2 LEU A 60 -16.598 -5.890 -14.994 1.00 0.00 C ATOM 0 H LEU A 60 -15.333 -1.144 -14.837 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.748 -3.376 -16.152 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.170 -3.049 -13.701 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.738 -3.766 -13.388 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.821 -4.822 -15.485 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.239 -6.561 -13.840 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.771 -4.938 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.223 -5.726 -12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.199 -6.854 -15.310 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.255 -6.033 -14.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.163 -5.445 -15.813 1.00 0.00 H new ATOM 859 N GLY A 61 -18.213 -0.968 -15.166 1.00 0.00 N ATOM 860 CA GLY A 61 -19.483 -0.361 -14.817 1.00 0.00 C ATOM 861 C GLY A 61 -19.431 0.354 -13.485 1.00 0.00 C ATOM 862 O GLY A 61 -20.396 1.000 -13.077 1.00 0.00 O ATOM 0 H GLY A 61 -17.574 -0.361 -15.679 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.771 0.346 -15.595 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.254 -1.131 -14.784 1.00 0.00 H new ATOM 866 N TYR A 62 -18.306 0.226 -12.800 1.00 0.00 N ATOM 867 CA TYR A 62 -18.086 0.921 -11.548 1.00 0.00 C ATOM 868 C TYR A 62 -17.099 2.051 -11.785 1.00 0.00 C ATOM 869 O TYR A 62 -16.615 2.223 -12.902 1.00 0.00 O ATOM 870 CB TYR A 62 -17.530 -0.035 -10.486 1.00 0.00 C ATOM 871 CG TYR A 62 -18.260 -1.359 -10.374 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.504 -1.441 -9.758 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.714 -2.521 -10.898 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.177 -2.646 -9.664 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.381 -3.730 -10.812 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.590 -3.795 -10.141 1.00 0.00 C ATOM 877 OH TYR A 62 -20.285 -4.988 -10.108 1.00 0.00 O ATOM 0 H TYR A 62 -17.525 -0.360 -13.096 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.035 1.317 -11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.482 -0.233 -10.709 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.561 0.464 -9.517 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -19.952 -0.549 -9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.750 -2.481 -11.383 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.160 -2.685 -9.218 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.962 -4.616 -11.265 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.728 -5.702 -10.483 1.00 0.00 H new ATOM 887 N LYS A 63 -16.797 2.819 -10.753 1.00 0.00 N ATOM 888 CA LYS A 63 -15.762 3.832 -10.856 1.00 0.00 C ATOM 889 C LYS A 63 -14.678 3.556 -9.827 1.00 0.00 C ATOM 890 O LYS A 63 -14.976 3.264 -8.672 1.00 0.00 O ATOM 891 CB LYS A 63 -16.348 5.233 -10.649 1.00 0.00 C ATOM 892 CG LYS A 63 -15.414 6.358 -11.078 1.00 0.00 C ATOM 893 CD LYS A 63 -15.302 6.443 -12.592 1.00 0.00 C ATOM 894 CE LYS A 63 -14.338 7.538 -13.025 1.00 0.00 C ATOM 895 NZ LYS A 63 -14.938 8.894 -12.902 1.00 0.00 N ATOM 0 H LYS A 63 -17.250 2.762 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.330 3.793 -11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.280 5.313 -11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.597 5.361 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.781 7.306 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.426 6.196 -10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.965 5.484 -12.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.286 6.635 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.434 7.486 -12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.037 7.368 -14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.247 9.608 -13.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.786 8.954 -13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.201 9.069 -11.911 1.00 0.00 H new ATOM 909 N ALA A 64 -13.427 3.601 -10.245 1.00 0.00 N ATOM 910 CA ALA A 64 -12.328 3.416 -9.315 1.00 0.00 C ATOM 911 C ALA A 64 -11.345 4.575 -9.378 1.00 0.00 C ATOM 912 O ALA A 64 -11.040 5.089 -10.454 1.00 0.00 O ATOM 913 CB ALA A 64 -11.616 2.106 -9.598 1.00 0.00 C ATOM 0 H ALA A 64 -13.148 3.762 -11.213 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.743 3.386 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.794 1.979 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.318 1.279 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.224 2.117 -10.615 1.00 0.00 H new ATOM 919 N THR A 65 -10.877 4.994 -8.215 1.00 0.00 N ATOM 920 CA THR A 65 -9.803 5.967 -8.122 1.00 0.00 C ATOM 921 C THR A 65 -8.637 5.338 -7.368 1.00 0.00 C ATOM 922 O THR A 65 -8.553 4.114 -7.285 1.00 0.00 O ATOM 923 CB THR A 65 -10.265 7.263 -7.429 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.698 7.320 -7.407 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.717 8.484 -8.151 1.00 0.00 C ATOM 0 H THR A 65 -11.229 4.671 -7.313 1.00 0.00 H new ATOM 0 HA THR A 65 -9.489 6.243 -9.129 1.00 0.00 H new ATOM 0 HB THR A 65 -9.884 7.261 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.986 8.145 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.055 9.388 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.628 8.451 -8.146 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.075 8.489 -9.181 1.00 0.00 H new ATOM 933 N LEU A 66 -7.766 6.141 -6.778 1.00 0.00 N ATOM 934 CA LEU A 66 -6.572 5.593 -6.145 1.00 0.00 C ATOM 935 C LEU A 66 -6.098 6.460 -4.992 1.00 0.00 C ATOM 936 O LEU A 66 -5.996 7.679 -5.105 1.00 0.00 O ATOM 937 CB LEU A 66 -5.437 5.443 -7.168 1.00 0.00 C ATOM 938 CG LEU A 66 -5.646 6.163 -8.503 1.00 0.00 C ATOM 939 CD1 LEU A 66 -5.057 7.565 -8.447 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.025 5.367 -9.641 1.00 0.00 C ATOM 0 H LEU A 66 -7.857 7.155 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.841 4.613 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.516 5.812 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.291 4.381 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.717 6.246 -8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.214 8.064 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.546 8.134 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.988 7.503 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.183 5.894 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.955 5.253 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.491 4.383 -9.693 1.00 0.00 H new ATOM 952 N ALA A 67 -5.816 5.805 -3.883 1.00 0.00 N ATOM 953 CA ALA A 67 -5.295 6.458 -2.700 1.00 0.00 C ATOM 954 C ALA A 67 -3.878 5.964 -2.448 1.00 0.00 C ATOM 955 O ALA A 67 -3.626 5.211 -1.510 1.00 0.00 O ATOM 956 CB ALA A 67 -6.191 6.177 -1.502 1.00 0.00 C ATOM 0 H ALA A 67 -5.943 4.798 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.276 7.537 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.786 6.674 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.194 6.553 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.235 5.102 -1.324 1.00 0.00 H new ATOM 962 N ASP A 68 -2.965 6.379 -3.318 1.00 0.00 N ATOM 963 CA ASP A 68 -1.589 5.905 -3.295 1.00 0.00 C ATOM 964 C ASP A 68 -0.894 6.244 -1.977 1.00 0.00 C ATOM 965 O ASP A 68 0.032 5.548 -1.561 1.00 0.00 O ATOM 966 CB ASP A 68 -0.814 6.478 -4.492 1.00 0.00 C ATOM 967 CG ASP A 68 0.074 7.653 -4.128 1.00 0.00 C ATOM 968 OD1 ASP A 68 -0.451 8.779 -3.968 1.00 0.00 O ATOM 969 OD2 ASP A 68 1.304 7.464 -4.033 1.00 0.00 O ATOM 0 H ASP A 68 -3.159 7.053 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.605 4.818 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.200 5.690 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.523 6.792 -5.258 1.00 0.00 H new ATOM 974 N ALA A 69 -1.350 7.297 -1.318 1.00 0.00 N ATOM 975 CA ALA A 69 -0.795 7.685 -0.035 1.00 0.00 C ATOM 976 C ALA A 69 -1.762 7.332 1.085 1.00 0.00 C ATOM 977 O ALA A 69 -1.399 6.504 1.945 1.00 0.00 O ATOM 978 CB ALA A 69 -0.474 9.172 -0.019 1.00 0.00 C ATOM 979 OXT ALA A 69 -2.888 7.876 1.089 1.00 0.00 O ATOM 0 H ALA A 69 -2.104 7.898 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 69 0.133 7.136 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.059 9.444 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.252 9.396 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.385 9.743 -0.197 1.00 0.00 H new TER 985 ALA A 69