USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.0631 USER MOD Set 2.1: A 1 MET N :NH3+ -126:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 0.57 K(o=1.7,f=-13!) USER MOD Set 3.1: A 34 SER OG : rot -161:sc= 0.973 USER MOD Set 3.2: A 39 THR OG1 : rot 79:sc= -0.66 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -62:sc= 1.27 USER MOD Single : A 3 HIS : no HE2:sc= 0.686 K(o=0.69,f=-3!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -147:sc= -2.93! USER MOD Single : A 13 SER OG : rot 97:sc= 0.738 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= 1.23 (180deg=-0.106!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 30 SER OG : rot -4:sc= 0.238! 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 48 THR OG1 : rot 172:sc= 1.2 USER MOD Single : A 49 SER OG : rot 180:sc= 0.194 USER MOD Single : A 54 THR OG1 : rot 75:sc= -1.03 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.339 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0562 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.713 -2.678 1.978 1.00 0.00 N ATOM 2 CA MET A 1 -0.403 -2.513 1.313 1.00 0.00 C ATOM 3 C MET A 1 -0.507 -1.470 0.208 1.00 0.00 C ATOM 4 O MET A 1 -0.613 -0.275 0.485 1.00 0.00 O ATOM 5 CB MET A 1 0.075 -3.853 0.739 1.00 0.00 C ATOM 6 CG MET A 1 1.574 -4.071 0.854 1.00 0.00 C ATOM 7 SD MET A 1 2.349 -4.427 -0.737 1.00 0.00 S ATOM 8 CE MET A 1 1.685 -6.057 -1.083 1.00 0.00 C ATOM 0 H1 MET A 1 -1.601 -2.545 3.003 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.381 -1.972 1.608 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.079 -3.633 1.791 1.00 0.00 H new ATOM 0 HA MET A 1 0.325 -2.173 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.441 -4.663 1.255 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.211 -3.910 -0.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.034 -3.183 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.766 -4.896 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.073 -6.413 -2.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.980 -6.746 -0.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.597 -6.004 -1.131 1.00 0.00 H new ATOM 20 N THR A 2 -0.506 -1.916 -1.043 1.00 0.00 N ATOM 21 CA THR A 2 -0.635 -1.009 -2.169 1.00 0.00 C ATOM 22 C THR A 2 -2.058 -0.467 -2.255 1.00 0.00 C ATOM 23 O THR A 2 -3.007 -1.213 -2.494 1.00 0.00 O ATOM 24 CB THR A 2 -0.262 -1.707 -3.490 1.00 0.00 C ATOM 25 OG1 THR A 2 0.940 -2.470 -3.311 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.059 -0.685 -4.597 1.00 0.00 C ATOM 0 H THR A 2 -0.417 -2.899 -1.299 1.00 0.00 H new ATOM 0 HA THR A 2 0.055 -0.180 -2.010 1.00 0.00 H new ATOM 0 HB THR A 2 -1.078 -2.371 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.677 -1.869 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.204 -1.198 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.980 -0.120 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.745 -0.003 -4.320 1.00 0.00 H new ATOM 34 N HIS A 3 -2.206 0.832 -2.037 1.00 0.00 N ATOM 35 CA HIS A 3 -3.516 1.456 -2.056 1.00 0.00 C ATOM 36 C HIS A 3 -3.458 2.802 -2.761 1.00 0.00 C ATOM 37 O HIS A 3 -2.385 3.358 -2.966 1.00 0.00 O ATOM 38 CB HIS A 3 -4.049 1.621 -0.625 1.00 0.00 C ATOM 39 CG HIS A 3 -3.222 2.521 0.251 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.096 2.097 0.925 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.372 3.831 0.569 1.00 0.00 C ATOM 42 CE1 HIS A 3 -1.592 3.102 1.613 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.345 4.165 1.416 1.00 0.00 N ATOM 0 H HIS A 3 -1.435 1.471 -1.845 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.198 0.810 -2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.064 2.015 -0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.110 0.638 -0.158 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -1.713 1.152 0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.154 4.489 0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.710 3.061 2.234 1.00 0.00 H new ATOM 52 N LEU A 4 -4.610 3.317 -3.137 1.00 0.00 N ATOM 53 CA LEU A 4 -4.683 4.638 -3.732 1.00 0.00 C ATOM 54 C LEU A 4 -5.365 5.602 -2.773 1.00 0.00 C ATOM 55 O LEU A 4 -6.128 5.185 -1.901 1.00 0.00 O ATOM 56 CB LEU A 4 -5.440 4.606 -5.063 1.00 0.00 C ATOM 57 CG LEU A 4 -5.125 3.425 -5.985 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.000 3.481 -7.228 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.652 3.417 -6.371 1.00 0.00 C ATOM 0 H LEU A 4 -5.508 2.843 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.666 4.977 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.509 4.600 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.227 5.529 -5.602 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.339 2.502 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.767 2.636 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.049 3.436 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.812 4.411 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.452 2.569 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.407 4.343 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.041 3.333 -5.472 1.00 0.00 H new ATOM 71 N LYS A 5 -5.067 6.877 -2.914 1.00 0.00 N ATOM 72 CA LYS A 5 -5.730 7.905 -2.137 1.00 0.00 C ATOM 73 C LYS A 5 -6.427 8.870 -3.089 1.00 0.00 C ATOM 74 O LYS A 5 -5.808 9.407 -4.008 1.00 0.00 O ATOM 75 CB LYS A 5 -4.715 8.622 -1.231 1.00 0.00 C ATOM 76 CG LYS A 5 -4.793 10.143 -1.257 1.00 0.00 C ATOM 77 CD LYS A 5 -3.455 10.780 -0.913 1.00 0.00 C ATOM 78 CE LYS A 5 -2.304 10.092 -1.632 1.00 0.00 C ATOM 79 NZ LYS A 5 -1.139 10.995 -1.809 1.00 0.00 N ATOM 0 H LYS A 5 -4.364 7.229 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.482 7.461 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.862 8.283 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.710 8.319 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.111 10.474 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.550 10.481 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.474 11.836 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.294 10.730 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.998 9.212 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.643 9.742 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.378 10.487 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.424 11.823 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.798 11.309 -0.878 1.00 0.00 H new ATOM 93 N ILE A 6 -7.719 9.056 -2.887 1.00 0.00 N ATOM 94 CA ILE A 6 -8.511 9.882 -3.780 1.00 0.00 C ATOM 95 C ILE A 6 -8.349 11.360 -3.443 1.00 0.00 C ATOM 96 O ILE A 6 -8.070 11.726 -2.300 1.00 0.00 O ATOM 97 CB ILE A 6 -10.007 9.491 -3.735 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.714 9.920 -5.025 1.00 0.00 C ATOM 99 CG2 ILE A 6 -10.692 10.100 -2.520 1.00 0.00 C ATOM 100 CD1 ILE A 6 -10.764 8.837 -6.081 1.00 0.00 C ATOM 0 H ILE A 6 -8.242 8.646 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.143 9.709 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.072 8.406 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.732 10.229 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.204 10.792 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.743 9.810 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.209 9.740 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.616 11.186 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.279 9.214 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.749 8.544 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.300 7.972 -5.690 1.00 0.00 H new ATOM 112 N THR A 7 -8.496 12.198 -4.456 1.00 0.00 N ATOM 113 CA THR A 7 -8.443 13.638 -4.275 1.00 0.00 C ATOM 114 C THR A 7 -9.532 14.322 -5.096 1.00 0.00 C ATOM 115 O THR A 7 -10.052 15.366 -4.710 1.00 0.00 O ATOM 116 CB THR A 7 -7.066 14.195 -4.674 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.199 13.116 -5.060 1.00 0.00 O ATOM 118 CG2 THR A 7 -6.445 14.963 -3.520 1.00 0.00 C ATOM 0 H THR A 7 -8.654 11.902 -5.419 1.00 0.00 H new ATOM 0 HA THR A 7 -8.609 13.846 -3.218 1.00 0.00 H new ATOM 0 HB THR A 7 -7.197 14.876 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.324 13.475 -5.315 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.471 15.349 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.095 15.793 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.322 14.298 -2.665 1.00 0.00 H new ATOM 126 N GLY A 8 -9.890 13.707 -6.220 1.00 0.00 N ATOM 127 CA GLY A 8 -10.933 14.251 -7.069 1.00 0.00 C ATOM 128 C GLY A 8 -12.311 13.798 -6.633 1.00 0.00 C ATOM 129 O GLY A 8 -13.119 13.375 -7.461 1.00 0.00 O ATOM 0 H GLY A 8 -9.474 12.839 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.886 15.340 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.759 13.943 -8.100 1.00 0.00 H new ATOM 133 N MET A 9 -12.547 13.874 -5.321 1.00 0.00 N ATOM 134 CA MET A 9 -13.828 13.518 -4.698 1.00 0.00 C ATOM 135 C MET A 9 -14.104 12.036 -4.709 1.00 0.00 C ATOM 136 O MET A 9 -13.654 11.294 -5.580 1.00 0.00 O ATOM 137 CB MET A 9 -15.024 14.161 -5.393 1.00 0.00 C ATOM 138 CG MET A 9 -15.895 14.998 -4.476 1.00 0.00 C ATOM 139 SD MET A 9 -15.060 16.471 -3.864 1.00 0.00 S ATOM 140 CE MET A 9 -15.072 16.135 -2.105 1.00 0.00 C ATOM 0 H MET A 9 -11.845 14.189 -4.651 1.00 0.00 H new ATOM 0 HA MET A 9 -13.719 13.885 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.663 14.789 -6.207 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.635 13.377 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.797 15.294 -5.011 1.00 0.00 H new ATOM 0 HG3 MET A 9 -16.212 14.389 -3.630 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.589 16.956 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.101 16.036 -1.760 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.533 15.208 -1.908 1.00 0.00 H new ATOM 150 N THR A 10 -14.839 11.622 -3.706 1.00 0.00 N ATOM 151 CA THR A 10 -15.684 10.491 -3.802 1.00 0.00 C ATOM 152 C THR A 10 -16.698 10.627 -2.691 1.00 0.00 C ATOM 153 O THR A 10 -17.100 11.744 -2.367 1.00 0.00 O ATOM 154 CB THR A 10 -14.895 9.181 -3.631 1.00 0.00 C ATOM 155 OG1 THR A 10 -13.550 9.472 -3.248 1.00 0.00 O ATOM 156 CG2 THR A 10 -14.893 8.368 -4.918 1.00 0.00 C ATOM 0 H THR A 10 -14.857 12.078 -2.794 1.00 0.00 H new ATOM 0 HA THR A 10 -16.155 10.450 -4.784 1.00 0.00 H new ATOM 0 HB THR A 10 -15.381 8.592 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.949 8.797 -3.627 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.328 7.448 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.918 8.123 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.431 8.950 -5.715 1.00 0.00 H new ATOM 164 N CYS A 11 -17.064 9.493 -2.139 1.00 0.00 N ATOM 165 CA CYS A 11 -17.797 9.337 -0.876 1.00 0.00 C ATOM 166 C CYS A 11 -18.696 8.116 -1.017 1.00 0.00 C ATOM 167 O CYS A 11 -18.220 7.037 -1.346 1.00 0.00 O ATOM 168 CB CYS A 11 -18.584 10.595 -0.442 1.00 0.00 C ATOM 169 SG CYS A 11 -19.938 11.104 -1.534 1.00 0.00 S ATOM 0 H CYS A 11 -16.852 8.595 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.077 9.195 -0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -18.993 10.418 0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -17.883 11.425 -0.355 1.00 0.00 H new ATOM 174 N ASP A 12 -19.994 8.305 -0.893 1.00 0.00 N ATOM 175 CA ASP A 12 -20.934 7.227 -1.128 1.00 0.00 C ATOM 176 C ASP A 12 -21.190 7.109 -2.627 1.00 0.00 C ATOM 177 O ASP A 12 -21.208 8.121 -3.330 1.00 0.00 O ATOM 178 CB ASP A 12 -22.249 7.488 -0.378 1.00 0.00 C ATOM 179 CG ASP A 12 -23.472 6.950 -1.105 1.00 0.00 C ATOM 180 OD1 ASP A 12 -23.827 5.769 -0.897 1.00 0.00 O ATOM 181 OD2 ASP A 12 -24.081 7.704 -1.889 1.00 0.00 O ATOM 0 H ASP A 12 -20.422 9.193 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.514 6.292 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -22.192 7.032 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.367 8.561 -0.228 1.00 0.00 H new ATOM 186 N SER A 13 -21.351 5.878 -3.111 1.00 0.00 N ATOM 187 CA SER A 13 -21.669 5.607 -4.518 1.00 0.00 C ATOM 188 C SER A 13 -20.485 5.882 -5.457 1.00 0.00 C ATOM 189 O SER A 13 -20.095 5.007 -6.232 1.00 0.00 O ATOM 190 CB SER A 13 -22.906 6.400 -4.954 1.00 0.00 C ATOM 191 OG SER A 13 -24.017 6.117 -4.110 1.00 0.00 O ATOM 0 H SER A 13 -21.265 5.037 -2.540 1.00 0.00 H new ATOM 0 HA SER A 13 -21.887 4.542 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.686 7.467 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.156 6.152 -5.986 1.00 0.00 H new ATOM 0 HG SER A 13 -24.086 6.807 -3.418 1.00 0.00 H new ATOM 197 N CYS A 14 -19.915 7.086 -5.400 1.00 0.00 N ATOM 198 CA CYS A 14 -18.752 7.406 -6.222 1.00 0.00 C ATOM 199 C CYS A 14 -17.605 6.449 -5.890 1.00 0.00 C ATOM 200 O CYS A 14 -16.938 5.935 -6.790 1.00 0.00 O ATOM 201 CB CYS A 14 -18.327 8.876 -6.038 1.00 0.00 C ATOM 202 SG CYS A 14 -19.710 10.041 -6.058 1.00 0.00 S ATOM 0 H CYS A 14 -20.236 7.846 -4.800 1.00 0.00 H new ATOM 0 HA CYS A 14 -19.019 7.279 -7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.794 8.975 -5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.626 9.144 -6.829 1.00 0.00 H new ATOM 207 N ALA A 15 -17.403 6.181 -4.600 1.00 0.00 N ATOM 208 CA ALA A 15 -16.415 5.193 -4.168 1.00 0.00 C ATOM 209 C ALA A 15 -16.947 3.771 -4.362 1.00 0.00 C ATOM 210 O ALA A 15 -17.008 2.977 -3.424 1.00 0.00 O ATOM 211 CB ALA A 15 -16.014 5.427 -2.722 1.00 0.00 C ATOM 0 H ALA A 15 -17.909 6.633 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.526 5.309 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.279 4.680 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.582 6.423 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.893 5.346 -2.083 1.00 0.00 H new ATOM 217 N ALA A 16 -17.327 3.468 -5.592 1.00 0.00 N ATOM 218 CA ALA A 16 -17.848 2.159 -5.961 1.00 0.00 C ATOM 219 C ALA A 16 -17.765 2.010 -7.469 1.00 0.00 C ATOM 220 O ALA A 16 -17.415 0.950 -7.984 1.00 0.00 O ATOM 221 CB ALA A 16 -19.283 1.988 -5.477 1.00 0.00 C ATOM 0 H ALA A 16 -17.283 4.127 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.251 1.382 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.649 1.003 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.315 2.084 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.913 2.755 -5.928 1.00 0.00 H new ATOM 227 N HIS A 17 -18.057 3.096 -8.173 1.00 0.00 N ATOM 228 CA HIS A 17 -17.795 3.163 -9.603 1.00 0.00 C ATOM 229 C HIS A 17 -16.289 3.089 -9.839 1.00 0.00 C ATOM 230 O HIS A 17 -15.817 2.494 -10.811 1.00 0.00 O ATOM 231 CB HIS A 17 -18.376 4.448 -10.193 1.00 0.00 C ATOM 232 CG HIS A 17 -18.773 4.326 -11.635 1.00 0.00 C ATOM 233 ND1 HIS A 17 -20.011 4.703 -12.110 1.00 0.00 N ATOM 234 CD2 HIS A 17 -18.092 3.853 -12.705 1.00 0.00 C ATOM 235 CE1 HIS A 17 -20.069 4.472 -13.408 1.00 0.00 C ATOM 236 NE2 HIS A 17 -18.920 3.954 -13.796 1.00 0.00 N ATOM 0 H HIS A 17 -18.474 3.939 -7.778 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.276 2.322 -10.101 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.248 4.743 -9.609 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.641 5.247 -10.094 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.083 3.467 -12.701 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.917 4.674 -14.046 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -18.685 3.675 -14.748 1.00 0.00 H new ATOM 245 N VAL A 18 -15.542 3.678 -8.909 1.00 0.00 N ATOM 246 CA VAL A 18 -14.088 3.595 -8.914 1.00 0.00 C ATOM 247 C VAL A 18 -13.658 2.150 -8.703 1.00 0.00 C ATOM 248 O VAL A 18 -12.735 1.663 -9.351 1.00 0.00 O ATOM 249 CB VAL A 18 -13.457 4.475 -7.810 1.00 0.00 C ATOM 250 CG1 VAL A 18 -11.939 4.463 -7.909 1.00 0.00 C ATOM 251 CG2 VAL A 18 -13.977 5.898 -7.892 1.00 0.00 C ATOM 0 H VAL A 18 -15.926 4.222 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.740 3.960 -9.880 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.743 4.057 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.518 5.089 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.575 3.442 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.635 4.849 -8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.519 6.498 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.726 6.322 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.060 5.898 -7.765 1.00 0.00 H new ATOM 261 N LYS A 19 -14.356 1.469 -7.797 1.00 0.00 N ATOM 262 CA LYS A 19 -14.108 0.059 -7.532 1.00 0.00 C ATOM 263 C LYS A 19 -14.378 -0.756 -8.791 1.00 0.00 C ATOM 264 O LYS A 19 -13.612 -1.657 -9.128 1.00 0.00 O ATOM 265 CB LYS A 19 -14.992 -0.428 -6.374 1.00 0.00 C ATOM 266 CG LYS A 19 -15.359 -1.899 -6.445 1.00 0.00 C ATOM 267 CD LYS A 19 -15.405 -2.535 -5.067 1.00 0.00 C ATOM 268 CE LYS A 19 -16.224 -3.814 -5.077 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.405 -5.002 -4.732 1.00 0.00 N ATOM 0 H LYS A 19 -15.102 1.876 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.065 -0.073 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.475 -0.240 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.908 0.163 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.330 -2.009 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.633 -2.425 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.391 -2.752 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.834 -1.831 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.047 -3.723 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.667 -3.953 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.801 -5.844 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.427 -4.855 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.412 -5.141 -3.701 1.00 0.00 H new ATOM 283 N GLU A 20 -15.457 -0.414 -9.492 1.00 0.00 N ATOM 284 CA GLU A 20 -15.796 -1.088 -10.739 1.00 0.00 C ATOM 285 C GLU A 20 -14.688 -0.887 -11.762 1.00 0.00 C ATOM 286 O GLU A 20 -14.241 -1.839 -12.391 1.00 0.00 O ATOM 287 CB GLU A 20 -17.123 -0.577 -11.303 1.00 0.00 C ATOM 288 CG GLU A 20 -17.556 -1.309 -12.566 1.00 0.00 C ATOM 289 CD GLU A 20 -18.511 -0.505 -13.420 1.00 0.00 C ATOM 290 OE1 GLU A 20 -19.715 -0.446 -13.087 1.00 0.00 O ATOM 291 OE2 GLU A 20 -18.062 0.086 -14.423 1.00 0.00 O ATOM 0 H GLU A 20 -16.107 0.322 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.903 -2.152 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.898 -0.683 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.033 0.487 -11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.673 -1.558 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.030 -2.250 -12.289 1.00 0.00 H new ATOM 298 N ALA A 21 -14.242 0.356 -11.910 1.00 0.00 N ATOM 299 CA ALA A 21 -13.148 0.673 -12.821 1.00 0.00 C ATOM 300 C ALA A 21 -11.893 -0.110 -12.451 1.00 0.00 C ATOM 301 O ALA A 21 -11.203 -0.643 -13.316 1.00 0.00 O ATOM 302 CB ALA A 21 -12.863 2.167 -12.803 1.00 0.00 C ATOM 0 H ALA A 21 -14.621 1.161 -11.411 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.447 0.385 -13.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.044 2.390 -13.487 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.755 2.711 -13.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.586 2.472 -11.794 1.00 0.00 H new ATOM 308 N LEU A 22 -11.619 -0.185 -11.156 1.00 0.00 N ATOM 309 CA LEU A 22 -10.451 -0.893 -10.646 1.00 0.00 C ATOM 310 C LEU A 22 -10.541 -2.393 -10.927 1.00 0.00 C ATOM 311 O LEU A 22 -9.619 -2.985 -11.485 1.00 0.00 O ATOM 312 CB LEU A 22 -10.313 -0.656 -9.139 1.00 0.00 C ATOM 313 CG LEU A 22 -9.222 0.337 -8.714 1.00 0.00 C ATOM 314 CD1 LEU A 22 -8.813 1.236 -9.871 1.00 0.00 C ATOM 315 CD2 LEU A 22 -9.700 1.168 -7.531 1.00 0.00 C ATOM 0 H LEU A 22 -12.197 0.241 -10.431 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.572 -0.504 -11.160 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.270 -0.300 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.114 -1.613 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.343 -0.233 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.039 1.928 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.427 0.625 -10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.679 1.800 -10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.918 1.868 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.596 1.721 -7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.929 0.510 -6.693 1.00 0.00 H new ATOM 327 N GLU A 23 -11.662 -2.996 -10.549 1.00 0.00 N ATOM 328 CA GLU A 23 -11.852 -4.432 -10.709 1.00 0.00 C ATOM 329 C GLU A 23 -12.128 -4.801 -12.168 1.00 0.00 C ATOM 330 O GLU A 23 -12.103 -5.979 -12.537 1.00 0.00 O ATOM 331 CB GLU A 23 -12.986 -4.915 -9.803 1.00 0.00 C ATOM 332 CG GLU A 23 -12.498 -5.421 -8.453 1.00 0.00 C ATOM 333 CD GLU A 23 -13.540 -5.304 -7.356 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.746 -5.284 -7.669 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.156 -5.240 -6.165 1.00 0.00 O ATOM 0 H GLU A 23 -12.455 -2.511 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.929 -4.932 -10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.690 -4.098 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.531 -5.712 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.199 -6.465 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.610 -4.860 -8.162 1.00 0.00 H new ATOM 342 N LYS A 24 -12.399 -3.797 -12.995 1.00 0.00 N ATOM 343 CA LYS A 24 -12.544 -4.010 -14.430 1.00 0.00 C ATOM 344 C LYS A 24 -11.176 -4.239 -15.060 1.00 0.00 C ATOM 345 O LYS A 24 -11.054 -4.911 -16.087 1.00 0.00 O ATOM 346 CB LYS A 24 -13.225 -2.811 -15.095 1.00 0.00 C ATOM 347 CG LYS A 24 -14.655 -3.083 -15.529 1.00 0.00 C ATOM 348 CD LYS A 24 -15.281 -1.850 -16.159 1.00 0.00 C ATOM 349 CE LYS A 24 -16.621 -2.168 -16.804 1.00 0.00 C ATOM 350 NZ LYS A 24 -16.474 -2.515 -18.239 1.00 0.00 N ATOM 0 H LYS A 24 -12.522 -2.829 -12.697 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.168 -4.890 -14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.219 -1.970 -14.401 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.642 -2.510 -15.965 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.671 -3.907 -16.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.246 -3.395 -14.668 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.416 -1.081 -15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.604 -1.441 -16.909 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.091 -2.998 -16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.285 -1.310 -16.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.409 -2.725 -18.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.049 -1.714 -18.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.861 -3.350 -18.333 1.00 0.00 H new ATOM 364 N VAL A 25 -10.153 -3.680 -14.430 1.00 0.00 N ATOM 365 CA VAL A 25 -8.782 -3.846 -14.884 1.00 0.00 C ATOM 366 C VAL A 25 -8.256 -5.213 -14.461 1.00 0.00 C ATOM 367 O VAL A 25 -8.350 -5.588 -13.292 1.00 0.00 O ATOM 368 CB VAL A 25 -7.863 -2.739 -14.313 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.418 -2.954 -14.738 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.344 -1.365 -14.753 1.00 0.00 C ATOM 0 H VAL A 25 -10.250 -3.102 -13.595 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.777 -3.770 -15.971 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.909 -2.794 -13.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.795 -2.162 -14.323 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.070 -3.919 -14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.352 -2.935 -15.826 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.685 -0.600 -14.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.333 -1.307 -15.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.359 -1.202 -14.392 1.00 0.00 H new ATOM 380 N PRO A 26 -7.729 -5.995 -15.413 1.00 0.00 N ATOM 381 CA PRO A 26 -7.135 -7.294 -15.109 1.00 0.00 C ATOM 382 C PRO A 26 -5.850 -7.140 -14.300 1.00 0.00 C ATOM 383 O PRO A 26 -5.123 -6.155 -14.455 1.00 0.00 O ATOM 384 CB PRO A 26 -6.845 -7.894 -16.487 1.00 0.00 C ATOM 385 CG PRO A 26 -6.751 -6.725 -17.407 1.00 0.00 C ATOM 386 CD PRO A 26 -7.676 -5.679 -16.850 1.00 0.00 C ATOM 0 HA PRO A 26 -7.789 -7.921 -14.503 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.917 -8.466 -16.481 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.638 -8.576 -16.795 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.728 -6.352 -17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.042 -7.002 -18.420 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.296 -4.673 -17.026 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.663 -5.731 -17.309 1.00 0.00 H new ATOM 394 N GLY A 27 -5.567 -8.117 -13.453 1.00 0.00 N ATOM 395 CA GLY A 27 -4.434 -8.014 -12.552 1.00 0.00 C ATOM 396 C GLY A 27 -4.849 -7.470 -11.201 1.00 0.00 C ATOM 397 O GLY A 27 -4.060 -6.834 -10.500 1.00 0.00 O ATOM 0 H GLY A 27 -6.101 -8.982 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.977 -8.996 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.677 -7.364 -12.990 1.00 0.00 H new ATOM 401 N VAL A 28 -6.091 -7.748 -10.833 1.00 0.00 N ATOM 402 CA VAL A 28 -6.673 -7.267 -9.588 1.00 0.00 C ATOM 403 C VAL A 28 -7.553 -8.370 -9.005 1.00 0.00 C ATOM 404 O VAL A 28 -7.950 -9.286 -9.725 1.00 0.00 O ATOM 405 CB VAL A 28 -7.533 -5.993 -9.812 1.00 0.00 C ATOM 406 CG1 VAL A 28 -7.994 -5.393 -8.491 1.00 0.00 C ATOM 407 CG2 VAL A 28 -6.776 -4.948 -10.619 1.00 0.00 C ATOM 0 H VAL A 28 -6.727 -8.316 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.864 -7.009 -8.904 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.413 -6.299 -10.378 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.593 -4.503 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.594 -6.124 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.125 -5.122 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.406 -4.069 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.869 -4.664 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.511 -5.362 -11.592 1.00 0.00 H new ATOM 417 N GLN A 29 -7.854 -8.295 -7.715 1.00 0.00 N ATOM 418 CA GLN A 29 -8.627 -9.342 -7.060 1.00 0.00 C ATOM 419 C GLN A 29 -9.765 -8.748 -6.243 1.00 0.00 C ATOM 420 O GLN A 29 -10.896 -9.226 -6.314 1.00 0.00 O ATOM 421 CB GLN A 29 -7.730 -10.192 -6.150 1.00 0.00 C ATOM 422 CG GLN A 29 -6.505 -10.764 -6.849 1.00 0.00 C ATOM 423 CD GLN A 29 -6.804 -12.042 -7.606 1.00 0.00 C ATOM 424 OE1 GLN A 29 -6.468 -13.141 -7.160 1.00 0.00 O ATOM 425 NE2 GLN A 29 -7.432 -11.907 -8.761 1.00 0.00 N ATOM 0 H GLN A 29 -7.577 -7.526 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.048 -9.978 -7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.403 -9.583 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.319 -11.013 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.108 -10.022 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.728 -10.958 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.693 -10.979 -9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.656 -12.731 -9.319 1.00 0.00 H new ATOM 434 N SER A 30 -9.473 -7.709 -5.463 1.00 0.00 N ATOM 435 CA SER A 30 -10.503 -7.050 -4.659 1.00 0.00 C ATOM 436 C SER A 30 -10.119 -5.609 -4.341 1.00 0.00 C ATOM 437 O SER A 30 -8.982 -5.331 -3.964 1.00 0.00 O ATOM 438 CB SER A 30 -10.736 -7.818 -3.353 1.00 0.00 C ATOM 439 OG SER A 30 -11.129 -9.157 -3.603 1.00 0.00 O ATOM 0 H SER A 30 -8.540 -7.307 -5.370 1.00 0.00 H new ATOM 0 HA SER A 30 -11.423 -7.043 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.823 -7.810 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.504 -7.315 -2.766 1.00 0.00 H new ATOM 0 HG SER A 30 -11.234 -9.292 -4.568 1.00 0.00 H new ATOM 445 N ALA A 31 -11.065 -4.698 -4.512 1.00 0.00 N ATOM 446 CA ALA A 31 -10.869 -3.311 -4.121 1.00 0.00 C ATOM 447 C ALA A 31 -11.620 -3.016 -2.822 1.00 0.00 C ATOM 448 O ALA A 31 -12.829 -3.229 -2.727 1.00 0.00 O ATOM 449 CB ALA A 31 -11.329 -2.376 -5.231 1.00 0.00 C ATOM 0 H ALA A 31 -11.979 -4.896 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.806 -3.143 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.176 -1.342 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.754 -2.574 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.388 -2.542 -5.431 1.00 0.00 H new ATOM 455 N LEU A 32 -10.895 -2.534 -1.825 1.00 0.00 N ATOM 456 CA LEU A 32 -11.471 -2.224 -0.523 1.00 0.00 C ATOM 457 C LEU A 32 -11.438 -0.719 -0.284 1.00 0.00 C ATOM 458 O LEU A 32 -10.478 -0.180 0.271 1.00 0.00 O ATOM 459 CB LEU A 32 -10.709 -2.954 0.587 1.00 0.00 C ATOM 460 CG LEU A 32 -10.462 -4.443 0.335 1.00 0.00 C ATOM 461 CD1 LEU A 32 -8.975 -4.758 0.411 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.239 -5.286 1.335 1.00 0.00 C ATOM 0 H LEU A 32 -9.895 -2.347 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.507 -2.562 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.747 -2.461 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.264 -2.846 1.519 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.813 -4.687 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.819 -5.821 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.441 -4.179 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.599 -4.500 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.053 -6.343 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.917 -5.039 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.305 -5.081 1.233 1.00 0.00 H new ATOM 474 N VAL A 33 -12.485 -0.046 -0.716 1.00 0.00 N ATOM 475 CA VAL A 33 -12.545 1.404 -0.648 1.00 0.00 C ATOM 476 C VAL A 33 -13.111 1.888 0.686 1.00 0.00 C ATOM 477 O VAL A 33 -14.097 1.348 1.193 1.00 0.00 O ATOM 478 CB VAL A 33 -13.395 1.985 -1.799 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.545 2.179 -3.044 1.00 0.00 C ATOM 480 CG2 VAL A 33 -14.588 1.088 -2.104 1.00 0.00 C ATOM 0 H VAL A 33 -13.313 -0.482 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.519 1.760 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.774 2.956 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.161 2.589 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.730 2.868 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.134 1.219 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.170 1.520 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.234 0.099 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.215 1.002 -1.216 1.00 0.00 H new ATOM 490 N SER A 34 -12.460 2.891 1.255 1.00 0.00 N ATOM 491 CA SER A 34 -12.967 3.577 2.428 1.00 0.00 C ATOM 492 C SER A 34 -13.568 4.911 1.995 1.00 0.00 C ATOM 493 O SER A 34 -12.869 5.921 1.903 1.00 0.00 O ATOM 494 CB SER A 34 -11.844 3.793 3.444 1.00 0.00 C ATOM 495 OG SER A 34 -10.597 3.352 2.928 1.00 0.00 O ATOM 0 H SER A 34 -11.568 3.250 0.916 1.00 0.00 H new ATOM 0 HA SER A 34 -13.737 2.971 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.781 4.850 3.702 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.072 3.254 4.363 1.00 0.00 H new ATOM 0 HG SER A 34 -9.968 3.215 3.666 1.00 0.00 H new ATOM 501 N TYR A 35 -14.864 4.889 1.721 1.00 0.00 N ATOM 502 CA TYR A 35 -15.556 6.016 1.097 1.00 0.00 C ATOM 503 C TYR A 35 -15.427 7.323 1.893 1.00 0.00 C ATOM 504 O TYR A 35 -14.972 8.325 1.342 1.00 0.00 O ATOM 505 CB TYR A 35 -17.032 5.668 0.848 1.00 0.00 C ATOM 506 CG TYR A 35 -17.341 4.186 0.922 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.659 3.592 2.135 1.00 0.00 C ATOM 508 CD2 TYR A 35 -17.317 3.383 -0.213 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.946 2.245 2.219 1.00 0.00 C ATOM 510 CE2 TYR A 35 -17.603 2.034 -0.137 1.00 0.00 C ATOM 511 CZ TYR A 35 -17.901 1.465 1.034 1.00 0.00 C ATOM 512 OH TYR A 35 -18.197 0.126 1.167 1.00 0.00 O ATOM 0 H TYR A 35 -15.468 4.092 1.923 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.064 6.194 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.646 6.193 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.321 6.039 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.682 4.195 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.071 3.821 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.200 1.794 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.585 1.433 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 35 -18.137 -0.311 0.292 1.00 0.00 H new ATOM 522 N PRO A 36 -15.805 7.353 3.189 1.00 0.00 N ATOM 523 CA PRO A 36 -15.747 8.582 3.989 1.00 0.00 C ATOM 524 C PRO A 36 -14.317 9.005 4.322 1.00 0.00 C ATOM 525 O PRO A 36 -14.078 10.143 4.722 1.00 0.00 O ATOM 526 CB PRO A 36 -16.510 8.227 5.274 1.00 0.00 C ATOM 527 CG PRO A 36 -17.190 6.929 4.991 1.00 0.00 C ATOM 528 CD PRO A 36 -16.335 6.234 3.978 1.00 0.00 C ATOM 0 HA PRO A 36 -16.173 9.426 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.830 8.137 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.234 9.002 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.286 6.332 5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -18.198 7.091 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.539 5.655 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.913 5.543 3.365 1.00 0.00 H new ATOM 536 N LYS A 37 -13.370 8.092 4.148 1.00 0.00 N ATOM 537 CA LYS A 37 -11.973 8.380 4.444 1.00 0.00 C ATOM 538 C LYS A 37 -11.250 8.879 3.198 1.00 0.00 C ATOM 539 O LYS A 37 -10.291 9.648 3.286 1.00 0.00 O ATOM 540 CB LYS A 37 -11.272 7.135 4.992 1.00 0.00 C ATOM 541 CG LYS A 37 -10.321 7.427 6.145 1.00 0.00 C ATOM 542 CD LYS A 37 -8.905 6.976 5.824 1.00 0.00 C ATOM 543 CE LYS A 37 -8.010 8.148 5.451 1.00 0.00 C ATOM 544 NZ LYS A 37 -7.147 8.566 6.587 1.00 0.00 N ATOM 0 H LYS A 37 -13.544 7.148 3.804 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.943 9.163 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.026 6.422 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.716 6.657 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.324 8.496 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.671 6.920 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.485 6.457 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.929 6.261 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.385 7.872 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.626 8.989 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.552 9.367 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.744 8.853 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.541 7.771 6.874 1.00 0.00 H new ATOM 558 N GLY A 38 -11.717 8.436 2.039 1.00 0.00 N ATOM 559 CA GLY A 38 -11.114 8.848 0.790 1.00 0.00 C ATOM 560 C GLY A 38 -9.912 8.001 0.424 1.00 0.00 C ATOM 561 O GLY A 38 -8.956 8.492 -0.181 1.00 0.00 O ATOM 0 H GLY A 38 -12.506 7.796 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.855 8.786 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.811 9.893 0.863 1.00 0.00 H new ATOM 565 N THR A 39 -9.954 6.731 0.788 1.00 0.00 N ATOM 566 CA THR A 39 -8.858 5.823 0.495 1.00 0.00 C ATOM 567 C THR A 39 -9.351 4.610 -0.284 1.00 0.00 C ATOM 568 O THR A 39 -10.499 4.192 -0.137 1.00 0.00 O ATOM 569 CB THR A 39 -8.171 5.350 1.786 1.00 0.00 C ATOM 570 OG1 THR A 39 -9.019 5.609 2.911 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.834 6.049 1.977 1.00 0.00 C ATOM 0 H THR A 39 -10.735 6.305 1.287 1.00 0.00 H new ATOM 0 HA THR A 39 -8.137 6.371 -0.111 1.00 0.00 H new ATOM 0 HB THR A 39 -7.990 4.278 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.715 4.921 2.961 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.368 5.697 2.897 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.183 5.826 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.992 7.126 2.039 1.00 0.00 H new ATOM 579 N ALA A 40 -8.484 4.052 -1.114 1.00 0.00 N ATOM 580 CA ALA A 40 -8.826 2.876 -1.894 1.00 0.00 C ATOM 581 C ALA A 40 -7.763 1.797 -1.728 1.00 0.00 C ATOM 582 O ALA A 40 -6.755 1.796 -2.433 1.00 0.00 O ATOM 583 CB ALA A 40 -8.985 3.244 -3.361 1.00 0.00 C ATOM 0 H ALA A 40 -7.536 4.397 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.775 2.482 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.241 2.353 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.778 3.984 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.049 3.659 -3.735 1.00 0.00 H new ATOM 589 N GLN A 41 -7.981 0.895 -0.782 1.00 0.00 N ATOM 590 CA GLN A 41 -7.075 -0.225 -0.582 1.00 0.00 C ATOM 591 C GLN A 41 -7.293 -1.243 -1.689 1.00 0.00 C ATOM 592 O GLN A 41 -8.426 -1.612 -1.978 1.00 0.00 O ATOM 593 CB GLN A 41 -7.311 -0.867 0.785 1.00 0.00 C ATOM 594 CG GLN A 41 -6.167 -0.656 1.762 1.00 0.00 C ATOM 595 CD GLN A 41 -5.060 -1.675 1.583 1.00 0.00 C ATOM 596 OE1 GLN A 41 -3.983 -1.359 1.074 1.00 0.00 O ATOM 597 NE2 GLN A 41 -5.315 -2.905 1.998 1.00 0.00 N ATOM 0 H GLN A 41 -8.775 0.917 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.046 0.132 -0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.225 -0.459 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.471 -1.937 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.760 0.346 1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.548 -0.713 2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.220 -3.126 2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.607 -3.633 1.902 1.00 0.00 H new ATOM 606 N LEU A 42 -6.225 -1.688 -2.318 1.00 0.00 N ATOM 607 CA LEU A 42 -6.361 -2.553 -3.474 1.00 0.00 C ATOM 608 C LEU A 42 -5.614 -3.863 -3.292 1.00 0.00 C ATOM 609 O LEU A 42 -4.405 -3.879 -3.067 1.00 0.00 O ATOM 610 CB LEU A 42 -5.851 -1.842 -4.724 1.00 0.00 C ATOM 611 CG LEU A 42 -6.931 -1.168 -5.570 1.00 0.00 C ATOM 612 CD1 LEU A 42 -6.316 -0.087 -6.440 1.00 0.00 C ATOM 613 CD2 LEU A 42 -7.661 -2.195 -6.424 1.00 0.00 C ATOM 0 H LEU A 42 -5.264 -1.469 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.420 -2.783 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.123 -1.088 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.323 -2.565 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.657 -0.704 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.095 0.386 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.839 0.662 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.571 -0.531 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.426 -1.696 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.950 -2.688 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.130 -2.937 -5.779 1.00 0.00 H new ATOM 625 N ALA A 43 -6.344 -4.958 -3.394 1.00 0.00 N ATOM 626 CA ALA A 43 -5.744 -6.274 -3.431 1.00 0.00 C ATOM 627 C ALA A 43 -5.488 -6.643 -4.882 1.00 0.00 C ATOM 628 O ALA A 43 -6.245 -7.402 -5.495 1.00 0.00 O ATOM 629 CB ALA A 43 -6.640 -7.301 -2.748 1.00 0.00 C ATOM 0 H ALA A 43 -7.362 -4.959 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.800 -6.266 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.166 -8.282 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.793 -7.016 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.602 -7.341 -3.258 1.00 0.00 H new ATOM 635 N ILE A 44 -4.451 -6.040 -5.439 1.00 0.00 N ATOM 636 CA ILE A 44 -4.076 -6.268 -6.825 1.00 0.00 C ATOM 637 C ILE A 44 -3.089 -7.421 -6.928 1.00 0.00 C ATOM 638 O ILE A 44 -2.519 -7.855 -5.925 1.00 0.00 O ATOM 639 CB ILE A 44 -3.445 -5.007 -7.462 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.502 -4.316 -6.472 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.528 -4.043 -7.932 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.358 -3.581 -7.136 1.00 0.00 C ATOM 0 H ILE A 44 -3.848 -5.382 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.989 -6.513 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.863 -5.318 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.075 -3.611 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.096 -5.062 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.064 -3.163 -8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.157 -4.536 -8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.139 -3.740 -7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.732 -3.117 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.761 -4.285 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.755 -2.811 -7.797 1.00 0.00 H new ATOM 654 N VAL A 45 -2.897 -7.912 -8.138 1.00 0.00 N ATOM 655 CA VAL A 45 -1.962 -8.995 -8.380 1.00 0.00 C ATOM 656 C VAL A 45 -0.525 -8.466 -8.329 1.00 0.00 C ATOM 657 O VAL A 45 -0.254 -7.351 -8.781 1.00 0.00 O ATOM 658 CB VAL A 45 -2.259 -9.691 -9.739 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.032 -9.757 -10.643 1.00 0.00 C ATOM 660 CG2 VAL A 45 -2.823 -11.084 -9.499 1.00 0.00 C ATOM 0 H VAL A 45 -3.378 -7.576 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.081 -9.744 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.000 -9.085 -10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.295 -10.252 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.681 -8.747 -10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.242 -10.319 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.028 -11.563 -10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.099 -11.679 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.747 -11.009 -8.926 1.00 0.00 H new ATOM 670 N PRO A 46 0.398 -9.234 -7.727 1.00 0.00 N ATOM 671 CA PRO A 46 1.817 -8.870 -7.668 1.00 0.00 C ATOM 672 C PRO A 46 2.432 -8.757 -9.060 1.00 0.00 C ATOM 673 O PRO A 46 2.821 -9.759 -9.668 1.00 0.00 O ATOM 674 CB PRO A 46 2.461 -10.022 -6.885 1.00 0.00 C ATOM 675 CG PRO A 46 1.332 -10.671 -6.157 1.00 0.00 C ATOM 676 CD PRO A 46 0.129 -10.505 -7.039 1.00 0.00 C ATOM 0 HA PRO A 46 1.970 -7.896 -7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.956 -10.726 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.218 -9.654 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.540 -11.725 -5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.172 -10.203 -5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.027 -11.331 -7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.794 -10.463 -6.460 1.00 0.00 H new ATOM 684 N GLY A 47 2.502 -7.534 -9.560 1.00 0.00 N ATOM 685 CA GLY A 47 3.024 -7.299 -10.886 1.00 0.00 C ATOM 686 C GLY A 47 2.393 -6.084 -11.530 1.00 0.00 C ATOM 687 O GLY A 47 3.067 -5.319 -12.221 1.00 0.00 O ATOM 0 H GLY A 47 2.203 -6.694 -9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.104 -7.163 -10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.844 -8.175 -11.508 1.00 0.00 H new ATOM 691 N THR A 48 1.099 -5.906 -11.301 1.00 0.00 N ATOM 692 CA THR A 48 0.378 -4.762 -11.831 1.00 0.00 C ATOM 693 C THR A 48 0.861 -3.474 -11.188 1.00 0.00 C ATOM 694 O THR A 48 0.925 -3.358 -9.961 1.00 0.00 O ATOM 695 CB THR A 48 -1.139 -4.915 -11.611 1.00 0.00 C ATOM 696 OG1 THR A 48 -1.445 -6.282 -11.292 1.00 0.00 O ATOM 697 CG2 THR A 48 -1.917 -4.490 -12.848 1.00 0.00 C ATOM 0 H THR A 48 0.527 -6.544 -10.748 1.00 0.00 H new ATOM 0 HA THR A 48 0.574 -4.717 -12.902 1.00 0.00 H new ATOM 0 HB THR A 48 -1.433 -4.269 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.386 -6.353 -11.027 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.985 -4.608 -12.665 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.701 -3.446 -13.073 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.623 -5.111 -13.694 1.00 0.00 H new ATOM 705 N SER A 49 1.235 -2.524 -12.022 1.00 0.00 N ATOM 706 CA SER A 49 1.712 -1.248 -11.547 1.00 0.00 C ATOM 707 C SER A 49 0.552 -0.412 -11.015 1.00 0.00 C ATOM 708 O SER A 49 -0.486 -0.293 -11.665 1.00 0.00 O ATOM 709 CB SER A 49 2.429 -0.516 -12.678 1.00 0.00 C ATOM 710 OG SER A 49 2.360 -1.265 -13.882 1.00 0.00 O ATOM 0 H SER A 49 1.216 -2.616 -13.038 1.00 0.00 H new ATOM 0 HA SER A 49 2.415 -1.410 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.977 0.465 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.471 -0.349 -12.407 1.00 0.00 H new ATOM 0 HG SER A 49 2.823 -0.780 -14.596 1.00 0.00 H new ATOM 716 N PRO A 50 0.702 0.169 -9.818 1.00 0.00 N ATOM 717 CA PRO A 50 -0.337 1.006 -9.214 1.00 0.00 C ATOM 718 C PRO A 50 -0.644 2.235 -10.060 1.00 0.00 C ATOM 719 O PRO A 50 -1.763 2.750 -10.043 1.00 0.00 O ATOM 720 CB PRO A 50 0.253 1.414 -7.861 1.00 0.00 C ATOM 721 CG PRO A 50 1.721 1.195 -7.996 1.00 0.00 C ATOM 722 CD PRO A 50 1.883 0.047 -8.949 1.00 0.00 C ATOM 0 HA PRO A 50 -1.284 0.474 -9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.029 2.456 -7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.163 0.813 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.215 2.089 -8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.172 0.967 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.811 0.121 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.904 -0.910 -8.428 1.00 0.00 H new ATOM 730 N ASP A 51 0.349 2.678 -10.822 1.00 0.00 N ATOM 731 CA ASP A 51 0.184 3.819 -11.711 1.00 0.00 C ATOM 732 C ASP A 51 -0.821 3.501 -12.814 1.00 0.00 C ATOM 733 O ASP A 51 -1.421 4.401 -13.393 1.00 0.00 O ATOM 734 CB ASP A 51 1.536 4.232 -12.313 1.00 0.00 C ATOM 735 CG ASP A 51 1.764 3.684 -13.708 1.00 0.00 C ATOM 736 OD1 ASP A 51 2.122 2.494 -13.836 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.591 4.438 -14.687 1.00 0.00 O ATOM 0 H ASP A 51 1.280 2.262 -10.841 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.203 4.655 -11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.595 5.320 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.337 3.887 -11.659 1.00 0.00 H new ATOM 742 N ALA A 52 -1.025 2.215 -13.081 1.00 0.00 N ATOM 743 CA ALA A 52 -1.982 1.791 -14.096 1.00 0.00 C ATOM 744 C ALA A 52 -3.401 1.950 -13.567 1.00 0.00 C ATOM 745 O ALA A 52 -4.313 2.365 -14.290 1.00 0.00 O ATOM 746 CB ALA A 52 -1.717 0.349 -14.510 1.00 0.00 C ATOM 0 H ALA A 52 -0.542 1.450 -12.610 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.866 2.421 -14.978 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.441 0.049 -15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.709 0.267 -14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.811 -0.302 -13.641 1.00 0.00 H new ATOM 752 N LEU A 53 -3.563 1.653 -12.281 1.00 0.00 N ATOM 753 CA LEU A 53 -4.856 1.751 -11.622 1.00 0.00 C ATOM 754 C LEU A 53 -5.202 3.213 -11.403 1.00 0.00 C ATOM 755 O LEU A 53 -6.327 3.647 -11.653 1.00 0.00 O ATOM 756 CB LEU A 53 -4.837 1.010 -10.288 1.00 0.00 C ATOM 757 CG LEU A 53 -4.661 -0.506 -10.390 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.452 -0.961 -9.587 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.921 -1.224 -9.926 1.00 0.00 C ATOM 0 H LEU A 53 -2.806 1.340 -11.673 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.613 1.290 -12.257 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.029 1.414 -9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.769 1.217 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.489 -0.762 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.344 -2.042 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.555 -0.475 -9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.589 -0.692 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.776 -2.301 -10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.128 -0.962 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.762 -0.924 -10.551 1.00 0.00 H new ATOM 771 N THR A 54 -4.210 3.970 -10.953 1.00 0.00 N ATOM 772 CA THR A 54 -4.352 5.402 -10.773 1.00 0.00 C ATOM 773 C THR A 54 -4.686 6.077 -12.103 1.00 0.00 C ATOM 774 O THR A 54 -5.536 6.960 -12.163 1.00 0.00 O ATOM 775 CB THR A 54 -3.062 6.000 -10.182 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.833 5.459 -8.875 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.130 7.517 -10.101 1.00 0.00 C ATOM 0 H THR A 54 -3.290 3.607 -10.704 1.00 0.00 H new ATOM 0 HA THR A 54 -5.171 5.582 -10.076 1.00 0.00 H new ATOM 0 HB THR A 54 -2.238 5.736 -10.845 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.503 4.540 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.201 7.901 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.272 7.929 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.966 7.810 -9.466 1.00 0.00 H new ATOM 785 N ALA A 55 -4.028 5.632 -13.168 1.00 0.00 N ATOM 786 CA ALA A 55 -4.288 6.158 -14.501 1.00 0.00 C ATOM 787 C ALA A 55 -5.693 5.793 -14.951 1.00 0.00 C ATOM 788 O ALA A 55 -6.368 6.585 -15.602 1.00 0.00 O ATOM 789 CB ALA A 55 -3.263 5.646 -15.501 1.00 0.00 C ATOM 0 H ALA A 55 -3.310 4.908 -13.133 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.205 7.244 -14.457 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.482 6.055 -16.488 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.266 5.958 -15.192 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.306 4.558 -15.541 1.00 0.00 H new ATOM 795 N ALA A 56 -6.127 4.584 -14.602 1.00 0.00 N ATOM 796 CA ALA A 56 -7.474 4.136 -14.927 1.00 0.00 C ATOM 797 C ALA A 56 -8.508 5.001 -14.218 1.00 0.00 C ATOM 798 O ALA A 56 -9.518 5.381 -14.802 1.00 0.00 O ATOM 799 CB ALA A 56 -7.654 2.672 -14.556 1.00 0.00 C ATOM 0 H ALA A 56 -5.565 3.900 -14.095 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.621 4.236 -16.002 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.666 2.355 -14.806 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.937 2.066 -15.109 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.488 2.545 -13.486 1.00 0.00 H new ATOM 805 N VAL A 57 -8.230 5.325 -12.962 1.00 0.00 N ATOM 806 CA VAL A 57 -9.101 6.188 -12.172 1.00 0.00 C ATOM 807 C VAL A 57 -9.056 7.612 -12.705 1.00 0.00 C ATOM 808 O VAL A 57 -10.097 8.251 -12.886 1.00 0.00 O ATOM 809 CB VAL A 57 -8.688 6.185 -10.681 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.449 7.241 -9.895 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.906 4.812 -10.072 1.00 0.00 C ATOM 0 H VAL A 57 -7.401 5.000 -12.464 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.116 5.799 -12.253 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.627 6.428 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.136 7.213 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.238 8.226 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.519 7.041 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.610 4.828 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.960 4.543 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.305 4.077 -10.607 1.00 0.00 H new ATOM 821 N ALA A 58 -7.847 8.094 -12.978 1.00 0.00 N ATOM 822 CA ALA A 58 -7.660 9.441 -13.501 1.00 0.00 C ATOM 823 C ALA A 58 -8.370 9.595 -14.840 1.00 0.00 C ATOM 824 O ALA A 58 -8.997 10.617 -15.111 1.00 0.00 O ATOM 825 CB ALA A 58 -6.181 9.753 -13.649 1.00 0.00 C ATOM 0 H ALA A 58 -6.982 7.570 -12.845 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.094 10.148 -12.794 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.060 10.763 -14.041 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.695 9.680 -12.676 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.726 9.040 -14.336 1.00 0.00 H new ATOM 831 N GLY A 59 -8.272 8.558 -15.664 1.00 0.00 N ATOM 832 CA GLY A 59 -8.911 8.571 -16.962 1.00 0.00 C ATOM 833 C GLY A 59 -10.392 8.262 -16.885 1.00 0.00 C ATOM 834 O GLY A 59 -11.136 8.534 -17.829 1.00 0.00 O ATOM 0 H GLY A 59 -7.757 7.704 -15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.771 9.549 -17.422 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.425 7.842 -17.610 1.00 0.00 H new ATOM 838 N LEU A 60 -10.825 7.684 -15.768 1.00 0.00 N ATOM 839 CA LEU A 60 -12.236 7.356 -15.577 1.00 0.00 C ATOM 840 C LEU A 60 -13.053 8.615 -15.314 1.00 0.00 C ATOM 841 O LEU A 60 -14.178 8.748 -15.798 1.00 0.00 O ATOM 842 CB LEU A 60 -12.404 6.380 -14.417 1.00 0.00 C ATOM 843 CG LEU A 60 -13.228 5.127 -14.721 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.714 5.451 -14.738 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.800 4.502 -16.041 1.00 0.00 C ATOM 0 H LEU A 60 -10.223 7.434 -14.984 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.600 6.888 -16.492 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.415 6.070 -14.081 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.872 6.908 -13.586 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.045 4.402 -13.928 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.281 4.546 -14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.013 5.841 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.915 6.199 -15.505 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.401 3.613 -16.234 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.945 5.220 -16.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.747 4.224 -15.988 1.00 0.00 H new ATOM 857 N GLY A 61 -12.487 9.544 -14.558 1.00 0.00 N ATOM 858 CA GLY A 61 -13.195 10.773 -14.259 1.00 0.00 C ATOM 859 C GLY A 61 -12.957 11.260 -12.846 1.00 0.00 C ATOM 860 O GLY A 61 -13.563 12.240 -12.410 1.00 0.00 O ATOM 0 H GLY A 61 -11.556 9.471 -14.148 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.884 11.546 -14.962 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.263 10.617 -14.409 1.00 0.00 H new ATOM 864 N TYR A 62 -12.088 10.571 -12.124 1.00 0.00 N ATOM 865 CA TYR A 62 -11.734 10.974 -10.772 1.00 0.00 C ATOM 866 C TYR A 62 -10.234 11.197 -10.687 1.00 0.00 C ATOM 867 O TYR A 62 -9.495 10.845 -11.603 1.00 0.00 O ATOM 868 CB TYR A 62 -12.166 9.918 -9.745 1.00 0.00 C ATOM 869 CG TYR A 62 -13.225 8.956 -10.241 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.576 9.255 -10.112 1.00 0.00 C ATOM 871 CD2 TYR A 62 -12.875 7.752 -10.842 1.00 0.00 C ATOM 872 CE1 TYR A 62 -15.546 8.385 -10.565 1.00 0.00 C ATOM 873 CE2 TYR A 62 -13.841 6.877 -11.298 1.00 0.00 C ATOM 874 CZ TYR A 62 -15.165 7.181 -11.142 1.00 0.00 C ATOM 875 OH TYR A 62 -16.140 6.334 -11.614 1.00 0.00 O ATOM 0 H TYR A 62 -11.614 9.729 -12.452 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.258 11.901 -10.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.289 9.347 -9.439 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.542 10.426 -8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.872 10.185 -9.649 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.831 7.497 -10.954 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.592 8.638 -10.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -13.551 5.954 -11.777 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.913 6.858 -11.910 1.00 0.00 H new ATOM 885 N LYS A 63 -9.781 11.792 -9.602 1.00 0.00 N ATOM 886 CA LYS A 63 -8.359 12.017 -9.415 1.00 0.00 C ATOM 887 C LYS A 63 -7.876 11.319 -8.158 1.00 0.00 C ATOM 888 O LYS A 63 -8.438 11.509 -7.078 1.00 0.00 O ATOM 889 CB LYS A 63 -8.049 13.510 -9.339 1.00 0.00 C ATOM 890 CG LYS A 63 -6.749 13.892 -10.031 1.00 0.00 C ATOM 891 CD LYS A 63 -5.952 14.891 -9.213 1.00 0.00 C ATOM 892 CE LYS A 63 -6.452 16.311 -9.420 1.00 0.00 C ATOM 893 NZ LYS A 63 -6.163 16.806 -10.791 1.00 0.00 N ATOM 0 H LYS A 63 -10.371 12.127 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.834 11.601 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.870 14.068 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.997 13.810 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.149 12.997 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.969 14.316 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.018 14.632 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.900 14.831 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.526 16.347 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.984 16.971 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.182 17.846 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.223 16.476 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.882 16.443 -11.450 1.00 0.00 H new ATOM 907 N ALA A 64 -6.848 10.502 -8.304 1.00 0.00 N ATOM 908 CA ALA A 64 -6.277 9.779 -7.180 1.00 0.00 C ATOM 909 C ALA A 64 -4.765 9.700 -7.309 1.00 0.00 C ATOM 910 O ALA A 64 -4.221 9.851 -8.400 1.00 0.00 O ATOM 911 CB ALA A 64 -6.877 8.381 -7.092 1.00 0.00 C ATOM 0 H ALA A 64 -6.388 10.321 -9.196 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.516 10.319 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.441 7.850 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.956 8.456 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.664 7.835 -8.011 1.00 0.00 H new ATOM 917 N THR A 65 -4.098 9.486 -6.192 1.00 0.00 N ATOM 918 CA THR A 65 -2.663 9.291 -6.188 1.00 0.00 C ATOM 919 C THR A 65 -2.322 7.949 -5.546 1.00 0.00 C ATOM 920 O THR A 65 -2.916 7.569 -4.534 1.00 0.00 O ATOM 921 CB THR A 65 -1.949 10.427 -5.429 1.00 0.00 C ATOM 922 OG1 THR A 65 -2.896 11.159 -4.634 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.250 11.371 -6.398 1.00 0.00 C ATOM 0 H THR A 65 -4.531 9.443 -5.270 1.00 0.00 H new ATOM 0 HA THR A 65 -2.317 9.300 -7.222 1.00 0.00 H new ATOM 0 HB THR A 65 -1.197 9.982 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.434 11.878 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.753 12.164 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.511 10.817 -6.976 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.985 11.809 -7.074 1.00 0.00 H new ATOM 931 N LEU A 66 -1.383 7.228 -6.142 1.00 0.00 N ATOM 932 CA LEU A 66 -0.997 5.916 -5.639 1.00 0.00 C ATOM 933 C LEU A 66 -0.132 6.034 -4.385 1.00 0.00 C ATOM 934 O LEU A 66 0.674 6.956 -4.248 1.00 0.00 O ATOM 935 CB LEU A 66 -0.311 5.067 -6.740 1.00 0.00 C ATOM 936 CG LEU A 66 1.123 5.441 -7.191 1.00 0.00 C ATOM 937 CD1 LEU A 66 1.325 6.945 -7.309 1.00 0.00 C ATOM 938 CD2 LEU A 66 2.165 4.826 -6.266 1.00 0.00 C ATOM 0 H LEU A 66 -0.874 7.528 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.907 5.390 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.288 4.034 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.951 5.093 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 66 1.255 5.024 -8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.347 7.151 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.627 7.349 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.146 7.413 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.163 5.104 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.012 5.192 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.067 3.740 -6.279 1.00 0.00 H new ATOM 950 N ALA A 67 -0.321 5.098 -3.470 1.00 0.00 N ATOM 951 CA ALA A 67 0.420 5.072 -2.224 1.00 0.00 C ATOM 952 C ALA A 67 0.694 3.631 -1.813 1.00 0.00 C ATOM 953 O ALA A 67 -0.183 2.935 -1.304 1.00 0.00 O ATOM 954 CB ALA A 67 -0.340 5.812 -1.134 1.00 0.00 C ATOM 0 H ALA A 67 -0.992 4.336 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 67 1.374 5.579 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.232 5.781 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.489 6.849 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.308 5.336 -0.979 1.00 0.00 H new ATOM 960 N ASP A 68 1.910 3.188 -2.062 1.00 0.00 N ATOM 961 CA ASP A 68 2.309 1.825 -1.752 1.00 0.00 C ATOM 962 C ASP A 68 2.717 1.711 -0.291 1.00 0.00 C ATOM 963 O ASP A 68 3.280 2.657 0.269 1.00 0.00 O ATOM 964 CB ASP A 68 3.465 1.406 -2.653 1.00 0.00 C ATOM 965 CG ASP A 68 3.616 -0.098 -2.769 1.00 0.00 C ATOM 966 OD1 ASP A 68 2.734 -0.824 -2.258 1.00 0.00 O ATOM 967 OD2 ASP A 68 4.610 -0.566 -3.360 1.00 0.00 O ATOM 0 H ASP A 68 2.646 3.756 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 68 1.461 1.163 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.314 1.827 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.392 1.829 -2.265 1.00 0.00 H new ATOM 972 N ALA A 69 2.430 0.552 0.301 1.00 0.00 N ATOM 973 CA ALA A 69 2.720 0.269 1.709 1.00 0.00 C ATOM 974 C ALA A 69 1.773 1.023 2.643 1.00 0.00 C ATOM 975 O ALA A 69 1.511 0.517 3.755 1.00 0.00 O ATOM 976 CB ALA A 69 4.174 0.571 2.057 1.00 0.00 C ATOM 977 OXT ALA A 69 1.278 2.104 2.268 1.00 0.00 O ATOM 0 H ALA A 69 1.985 -0.225 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 69 2.556 -0.798 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.350 0.349 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.831 -0.044 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.382 1.624 1.869 1.00 0.00 H new TER 983 ALA A 69 HETATM 984 HG HG A 70 -19.825 10.581 -3.796 1.00 0.00 HG2+