USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -80:sc= 0.734 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.825 K(o=1.6,f=0.88) USER MOD Set 2.1: A 11 CYS SG : rot 86:sc= -0.365 USER MOD Set 2.2: A 13 SER OG : rot -76:sc= 0.184 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0.0195 USER MOD Set 3.2: A 14 CYS SG : rot -160:sc= 0.474 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 9 MET CE :methyl 174:sc= 0 (180deg=-0.0532) USER MOD Single : A 17 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 1.35 (180deg=-0.13!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.664 K(o=-0.66,f=-3.6!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.31 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.728 USER MOD Single : A 49 SER OG : rot 140:sc= 1.3 USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -121:sc= 1.09 (180deg=0.499) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.971 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.430 -0.450 -1.549 1.00 0.00 N ATOM 35 CA HIS A 3 -3.550 0.477 -1.692 1.00 0.00 C ATOM 36 C HIS A 3 -3.115 1.818 -2.273 1.00 0.00 C ATOM 37 O HIS A 3 -1.954 2.211 -2.172 1.00 0.00 O ATOM 38 CB HIS A 3 -4.255 0.705 -0.341 1.00 0.00 C ATOM 39 CG HIS A 3 -3.422 0.384 0.866 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.606 -0.750 1.624 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.389 1.050 1.434 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.723 -0.768 2.606 1.00 0.00 C ATOM 43 NE2 HIS A 3 -1.970 0.311 2.513 1.00 0.00 N ATOM 0 HA HIS A 3 -4.249 0.015 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.568 1.747 -0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.160 0.098 -0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.972 1.989 1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.633 -1.537 3.359 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.203 0.556 3.139 1.00 0.00 H new ATOM 52 N LEU A 4 -4.067 2.512 -2.877 1.00 0.00 N ATOM 53 CA LEU A 4 -3.829 3.838 -3.426 1.00 0.00 C ATOM 54 C LEU A 4 -4.721 4.852 -2.721 1.00 0.00 C ATOM 55 O LEU A 4 -5.378 4.527 -1.732 1.00 0.00 O ATOM 56 CB LEU A 4 -4.081 3.860 -4.940 1.00 0.00 C ATOM 57 CG LEU A 4 -4.686 2.584 -5.526 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.775 2.928 -6.529 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.606 1.736 -6.180 1.00 0.00 C ATOM 0 H LEU A 4 -5.022 2.174 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.785 4.103 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.745 4.694 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.136 4.058 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.132 2.007 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.196 2.010 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.560 3.498 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.350 3.523 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.053 0.831 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.133 2.304 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.857 1.464 -5.436 1.00 0.00 H new ATOM 71 N LYS A 5 -4.759 6.068 -3.231 1.00 0.00 N ATOM 72 CA LYS A 5 -5.526 7.133 -2.609 1.00 0.00 C ATOM 73 C LYS A 5 -6.396 7.811 -3.655 1.00 0.00 C ATOM 74 O LYS A 5 -5.968 8.006 -4.786 1.00 0.00 O ATOM 75 CB LYS A 5 -4.575 8.140 -1.951 1.00 0.00 C ATOM 76 CG LYS A 5 -5.221 9.470 -1.605 1.00 0.00 C ATOM 77 CD LYS A 5 -4.255 10.625 -1.820 1.00 0.00 C ATOM 78 CE LYS A 5 -4.530 11.771 -0.863 1.00 0.00 C ATOM 79 NZ LYS A 5 -3.505 12.844 -0.972 1.00 0.00 N ATOM 0 H LYS A 5 -4.265 6.345 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.173 6.718 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.169 7.698 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.734 8.320 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.109 9.616 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.551 9.457 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.232 10.274 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.336 10.981 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.515 12.188 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.552 11.393 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.729 13.608 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.568 12.452 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.501 13.223 -1.940 1.00 0.00 H new ATOM 93 N ILE A 6 -7.617 8.158 -3.295 1.00 0.00 N ATOM 94 CA ILE A 6 -8.523 8.773 -4.250 1.00 0.00 C ATOM 95 C ILE A 6 -8.782 10.232 -3.880 1.00 0.00 C ATOM 96 O ILE A 6 -8.936 10.566 -2.709 1.00 0.00 O ATOM 97 CB ILE A 6 -9.849 7.982 -4.351 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.810 8.654 -5.337 1.00 0.00 C ATOM 99 CG2 ILE A 6 -10.497 7.827 -2.982 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.655 7.675 -6.125 1.00 0.00 C ATOM 0 H ILE A 6 -8.003 8.027 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.049 8.749 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.619 6.986 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.467 9.328 -4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.235 9.266 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.427 7.268 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.820 7.290 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.709 8.812 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.310 8.223 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.006 7.016 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.258 7.080 -5.439 1.00 0.00 H new ATOM 112 N THR A 7 -8.793 11.104 -4.883 1.00 0.00 N ATOM 113 CA THR A 7 -8.966 12.532 -4.647 1.00 0.00 C ATOM 114 C THR A 7 -10.345 13.013 -5.102 1.00 0.00 C ATOM 115 O THR A 7 -10.926 13.914 -4.505 1.00 0.00 O ATOM 116 CB THR A 7 -7.872 13.332 -5.375 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.812 12.447 -5.766 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.314 14.430 -4.483 1.00 0.00 C ATOM 0 H THR A 7 -8.684 10.847 -5.864 1.00 0.00 H new ATOM 0 HA THR A 7 -8.883 12.699 -3.573 1.00 0.00 H new ATOM 0 HB THR A 7 -8.314 13.796 -6.257 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.116 12.956 -6.231 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.543 14.980 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.116 15.112 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.883 13.986 -3.586 1.00 0.00 H new ATOM 126 N GLY A 8 -10.872 12.393 -6.153 1.00 0.00 N ATOM 127 CA GLY A 8 -12.170 12.789 -6.680 1.00 0.00 C ATOM 128 C GLY A 8 -13.324 12.101 -5.974 1.00 0.00 C ATOM 129 O GLY A 8 -14.458 12.117 -6.453 1.00 0.00 O ATOM 0 H GLY A 8 -10.425 11.623 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.282 13.869 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.211 12.558 -7.744 1.00 0.00 H new ATOM 133 N MET A 9 -13.033 11.477 -4.842 1.00 0.00 N ATOM 134 CA MET A 9 -14.048 10.787 -4.062 1.00 0.00 C ATOM 135 C MET A 9 -14.735 11.753 -3.106 1.00 0.00 C ATOM 136 O MET A 9 -14.077 12.415 -2.306 1.00 0.00 O ATOM 137 CB MET A 9 -13.417 9.634 -3.278 1.00 0.00 C ATOM 138 CG MET A 9 -14.283 9.095 -2.149 1.00 0.00 C ATOM 139 SD MET A 9 -13.343 8.766 -0.649 1.00 0.00 S ATOM 140 CE MET A 9 -13.687 10.246 0.301 1.00 0.00 C ATOM 0 H MET A 9 -12.096 11.435 -4.442 1.00 0.00 H new ATOM 0 HA MET A 9 -14.795 10.384 -4.746 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.193 8.821 -3.968 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.467 9.970 -2.863 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.073 9.813 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.770 8.176 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.261 10.145 1.299 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.244 11.109 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.765 10.386 0.379 1.00 0.00 H new ATOM 150 N THR A 10 -16.054 11.837 -3.189 1.00 0.00 N ATOM 151 CA THR A 10 -16.816 12.669 -2.278 1.00 0.00 C ATOM 152 C THR A 10 -17.508 11.798 -1.245 1.00 0.00 C ATOM 153 O THR A 10 -17.973 12.282 -0.212 1.00 0.00 O ATOM 154 CB THR A 10 -17.865 13.499 -3.037 1.00 0.00 C ATOM 155 OG1 THR A 10 -18.080 12.941 -4.340 1.00 0.00 O ATOM 156 CG2 THR A 10 -17.415 14.944 -3.168 1.00 0.00 C ATOM 0 H THR A 10 -16.616 11.338 -3.879 1.00 0.00 H new ATOM 0 HA THR A 10 -16.127 13.353 -1.782 1.00 0.00 H new ATOM 0 HB THR A 10 -18.797 13.474 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.750 13.473 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.172 15.513 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.277 15.374 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.473 14.984 -3.714 1.00 0.00 H new ATOM 164 N CYS A 11 -17.533 10.494 -1.527 1.00 0.00 N ATOM 165 CA CYS A 11 -18.213 9.523 -0.683 1.00 0.00 C ATOM 166 C CYS A 11 -18.123 8.119 -1.285 1.00 0.00 C ATOM 167 O CYS A 11 -17.029 7.642 -1.572 1.00 0.00 O ATOM 168 CB CYS A 11 -19.687 9.910 -0.509 1.00 0.00 C ATOM 169 SG CYS A 11 -20.457 10.631 -1.985 1.00 0.00 S ATOM 0 H CYS A 11 -17.082 10.087 -2.346 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.721 9.521 0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.250 9.023 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.768 10.623 0.312 1.00 0.00 H new ATOM 0 HG CYS A 11 -20.900 9.680 -2.752 1.00 0.00 H new ATOM 174 N ASP A 12 -19.261 7.499 -1.562 1.00 0.00 N ATOM 175 CA ASP A 12 -19.273 6.075 -1.879 1.00 0.00 C ATOM 176 C ASP A 12 -19.686 5.811 -3.322 1.00 0.00 C ATOM 177 O ASP A 12 -19.308 4.796 -3.895 1.00 0.00 O ATOM 178 CB ASP A 12 -20.204 5.343 -0.911 1.00 0.00 C ATOM 179 CG ASP A 12 -20.038 3.839 -0.948 1.00 0.00 C ATOM 180 OD1 ASP A 12 -19.066 3.327 -0.351 1.00 0.00 O ATOM 181 OD2 ASP A 12 -20.904 3.165 -1.549 1.00 0.00 O ATOM 0 H ASP A 12 -20.176 7.950 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.257 5.697 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.016 5.698 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.237 5.594 -1.151 1.00 0.00 H new ATOM 186 N SER A 13 -20.457 6.720 -3.908 1.00 0.00 N ATOM 187 CA SER A 13 -20.862 6.593 -5.308 1.00 0.00 C ATOM 188 C SER A 13 -19.636 6.495 -6.213 1.00 0.00 C ATOM 189 O SER A 13 -19.513 5.579 -7.030 1.00 0.00 O ATOM 190 CB SER A 13 -21.719 7.793 -5.698 1.00 0.00 C ATOM 191 OG SER A 13 -21.870 8.674 -4.593 1.00 0.00 O ATOM 0 H SER A 13 -20.815 7.552 -3.439 1.00 0.00 H new ATOM 0 HA SER A 13 -21.446 5.681 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.258 8.322 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.698 7.454 -6.037 1.00 0.00 H new ATOM 0 HG SER A 13 -22.517 8.298 -3.961 1.00 0.00 H new ATOM 197 N CYS A 14 -18.724 7.442 -6.048 1.00 0.00 N ATOM 198 CA CYS A 14 -17.461 7.425 -6.763 1.00 0.00 C ATOM 199 C CYS A 14 -16.632 6.213 -6.339 1.00 0.00 C ATOM 200 O CYS A 14 -16.025 5.539 -7.173 1.00 0.00 O ATOM 201 CB CYS A 14 -16.709 8.726 -6.487 1.00 0.00 C ATOM 202 SG CYS A 14 -17.739 9.998 -5.716 1.00 0.00 S ATOM 0 H CYS A 14 -18.839 8.237 -5.419 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.646 7.346 -7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.858 8.515 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.308 9.112 -7.424 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.193 11.165 -5.893 1.00 0.00 H new ATOM 207 N ALA A 15 -16.645 5.922 -5.038 1.00 0.00 N ATOM 208 CA ALA A 15 -15.947 4.763 -4.488 1.00 0.00 C ATOM 209 C ALA A 15 -16.716 3.470 -4.771 1.00 0.00 C ATOM 210 O ALA A 15 -16.886 2.624 -3.894 1.00 0.00 O ATOM 211 CB ALA A 15 -15.732 4.944 -2.992 1.00 0.00 C ATOM 0 H ALA A 15 -17.137 6.480 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.975 4.684 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.211 4.074 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.134 5.838 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.697 5.049 -2.496 1.00 0.00 H new ATOM 217 N ALA A 16 -17.146 3.319 -6.013 1.00 0.00 N ATOM 218 CA ALA A 16 -17.929 2.170 -6.438 1.00 0.00 C ATOM 219 C ALA A 16 -17.868 2.056 -7.949 1.00 0.00 C ATOM 220 O ALA A 16 -17.724 0.966 -8.495 1.00 0.00 O ATOM 221 CB ALA A 16 -19.374 2.295 -5.974 1.00 0.00 C ATOM 0 H ALA A 16 -16.961 3.992 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.511 1.270 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.939 1.423 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.403 2.355 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.816 3.196 -6.399 1.00 0.00 H new ATOM 227 N HIS A 17 -17.965 3.190 -8.628 1.00 0.00 N ATOM 228 CA HIS A 17 -17.711 3.229 -10.061 1.00 0.00 C ATOM 229 C HIS A 17 -16.224 3.015 -10.313 1.00 0.00 C ATOM 230 O HIS A 17 -15.826 2.292 -11.229 1.00 0.00 O ATOM 231 CB HIS A 17 -18.163 4.559 -10.659 1.00 0.00 C ATOM 232 CG HIS A 17 -18.568 4.465 -12.100 1.00 0.00 C ATOM 233 ND1 HIS A 17 -19.848 4.713 -12.535 1.00 0.00 N ATOM 234 CD2 HIS A 17 -17.853 4.154 -13.207 1.00 0.00 C ATOM 235 CE1 HIS A 17 -19.903 4.565 -13.845 1.00 0.00 C ATOM 236 NE2 HIS A 17 -18.706 4.225 -14.280 1.00 0.00 N ATOM 0 H HIS A 17 -18.216 4.088 -8.214 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.281 2.435 -10.543 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.003 4.941 -10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.354 5.283 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -16.804 3.897 -13.240 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.782 4.700 -14.458 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -18.455 4.045 -15.252 1.00 0.00 H new ATOM 245 N VAL A 18 -15.413 3.644 -9.471 1.00 0.00 N ATOM 246 CA VAL A 18 -13.968 3.479 -9.513 1.00 0.00 C ATOM 247 C VAL A 18 -13.616 2.032 -9.190 1.00 0.00 C ATOM 248 O VAL A 18 -12.778 1.420 -9.846 1.00 0.00 O ATOM 249 CB VAL A 18 -13.272 4.431 -8.511 1.00 0.00 C ATOM 250 CG1 VAL A 18 -11.876 3.947 -8.155 1.00 0.00 C ATOM 251 CG2 VAL A 18 -13.218 5.842 -9.073 1.00 0.00 C ATOM 0 H VAL A 18 -15.738 4.280 -8.743 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.616 3.728 -10.514 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.862 4.437 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.419 4.641 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.938 2.958 -7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.268 3.895 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.726 6.500 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.658 5.840 -10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.231 6.199 -9.257 1.00 0.00 H new ATOM 261 N LYS A 19 -14.295 1.494 -8.185 1.00 0.00 N ATOM 262 CA LYS A 19 -14.131 0.102 -7.796 1.00 0.00 C ATOM 263 C LYS A 19 -14.499 -0.818 -8.954 1.00 0.00 C ATOM 264 O LYS A 19 -13.783 -1.772 -9.254 1.00 0.00 O ATOM 265 CB LYS A 19 -15.008 -0.204 -6.580 1.00 0.00 C ATOM 266 CG LYS A 19 -15.211 -1.679 -6.323 1.00 0.00 C ATOM 267 CD LYS A 19 -15.400 -1.957 -4.847 1.00 0.00 C ATOM 268 CE LYS A 19 -16.204 -3.220 -4.622 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.338 -4.426 -4.602 1.00 0.00 N ATOM 0 H LYS A 19 -14.971 2.008 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.087 -0.071 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.558 0.249 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.981 0.267 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.082 -2.031 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.351 -2.237 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.427 -2.053 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.906 -1.113 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.744 -3.144 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.951 -3.321 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.724 -5.120 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.306 -4.846 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.377 -4.158 -4.309 1.00 0.00 H new ATOM 283 N GLU A 20 -15.616 -0.509 -9.603 1.00 0.00 N ATOM 284 CA GLU A 20 -16.090 -1.288 -10.741 1.00 0.00 C ATOM 285 C GLU A 20 -15.048 -1.301 -11.850 1.00 0.00 C ATOM 286 O GLU A 20 -14.681 -2.358 -12.359 1.00 0.00 O ATOM 287 CB GLU A 20 -17.399 -0.706 -11.269 1.00 0.00 C ATOM 288 CG GLU A 20 -18.580 -1.651 -11.148 1.00 0.00 C ATOM 289 CD GLU A 20 -19.772 -1.200 -11.967 1.00 0.00 C ATOM 290 OE1 GLU A 20 -20.548 -0.352 -11.481 1.00 0.00 O ATOM 291 OE2 GLU A 20 -19.934 -1.690 -13.107 1.00 0.00 O ATOM 0 H GLU A 20 -16.213 0.281 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.262 -2.312 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.623 0.212 -10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.269 -0.434 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.278 -2.647 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.872 -1.730 -10.101 1.00 0.00 H new ATOM 298 N ALA A 21 -14.567 -0.117 -12.209 1.00 0.00 N ATOM 299 CA ALA A 21 -13.559 0.013 -13.250 1.00 0.00 C ATOM 300 C ALA A 21 -12.276 -0.719 -12.869 1.00 0.00 C ATOM 301 O ALA A 21 -11.655 -1.372 -13.706 1.00 0.00 O ATOM 302 CB ALA A 21 -13.271 1.480 -13.524 1.00 0.00 C ATOM 0 H ALA A 21 -14.860 0.767 -11.793 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.950 -0.445 -14.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.515 1.563 -14.305 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.185 1.976 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.906 1.955 -12.614 1.00 0.00 H new ATOM 308 N LEU A 22 -11.884 -0.602 -11.607 1.00 0.00 N ATOM 309 CA LEU A 22 -10.680 -1.252 -11.113 1.00 0.00 C ATOM 310 C LEU A 22 -10.816 -2.770 -11.136 1.00 0.00 C ATOM 311 O LEU A 22 -9.943 -3.466 -11.645 1.00 0.00 O ATOM 312 CB LEU A 22 -10.357 -0.766 -9.698 1.00 0.00 C ATOM 313 CG LEU A 22 -9.101 0.108 -9.570 1.00 0.00 C ATOM 314 CD1 LEU A 22 -8.487 0.406 -10.932 1.00 0.00 C ATOM 315 CD2 LEU A 22 -9.429 1.402 -8.844 1.00 0.00 C ATOM 0 H LEU A 22 -12.386 -0.060 -10.904 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.858 -0.982 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.211 -0.202 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.241 -1.636 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.366 -0.449 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.600 1.027 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.208 -0.529 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.213 0.934 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.529 2.011 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.188 1.950 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.806 1.174 -7.847 1.00 0.00 H new ATOM 327 N GLU A 23 -11.916 -3.283 -10.595 1.00 0.00 N ATOM 328 CA GLU A 23 -12.146 -4.718 -10.558 1.00 0.00 C ATOM 329 C GLU A 23 -12.499 -5.257 -11.945 1.00 0.00 C ATOM 330 O GLU A 23 -12.528 -6.469 -12.166 1.00 0.00 O ATOM 331 CB GLU A 23 -13.239 -5.057 -9.542 1.00 0.00 C ATOM 332 CG GLU A 23 -12.678 -5.596 -8.237 1.00 0.00 C ATOM 333 CD GLU A 23 -13.623 -5.459 -7.057 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.773 -5.007 -7.243 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.219 -5.801 -5.922 1.00 0.00 O ATOM 0 H GLU A 23 -12.660 -2.725 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.222 -5.203 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.829 -4.164 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.915 -5.794 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.427 -6.649 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.749 -5.073 -8.009 1.00 0.00 H new ATOM 342 N LYS A 24 -12.778 -4.351 -12.878 1.00 0.00 N ATOM 343 CA LYS A 24 -12.939 -4.721 -14.279 1.00 0.00 C ATOM 344 C LYS A 24 -11.575 -5.009 -14.909 1.00 0.00 C ATOM 345 O LYS A 24 -11.484 -5.619 -15.977 1.00 0.00 O ATOM 346 CB LYS A 24 -13.647 -3.606 -15.054 1.00 0.00 C ATOM 347 CG LYS A 24 -14.800 -4.094 -15.915 1.00 0.00 C ATOM 348 CD LYS A 24 -14.816 -3.394 -17.262 1.00 0.00 C ATOM 349 CE LYS A 24 -16.227 -3.002 -17.669 1.00 0.00 C ATOM 350 NZ LYS A 24 -16.393 -2.991 -19.146 1.00 0.00 N ATOM 0 H LYS A 24 -12.897 -3.356 -12.688 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.551 -5.621 -14.328 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.022 -2.866 -14.347 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.920 -3.100 -15.689 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.716 -5.171 -16.063 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.743 -3.916 -15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.188 -2.504 -17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.387 -4.050 -18.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.939 -3.700 -17.228 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.459 -2.015 -17.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.368 -2.719 -19.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.731 -2.307 -19.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.196 -3.939 -19.525 1.00 0.00 H new ATOM 364 N VAL A 25 -10.519 -4.556 -14.244 1.00 0.00 N ATOM 365 CA VAL A 25 -9.157 -4.834 -14.674 1.00 0.00 C ATOM 366 C VAL A 25 -8.716 -6.187 -14.123 1.00 0.00 C ATOM 367 O VAL A 25 -8.771 -6.412 -12.913 1.00 0.00 O ATOM 368 CB VAL A 25 -8.171 -3.738 -14.193 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.758 -4.012 -14.687 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.630 -2.360 -14.644 1.00 0.00 C ATOM 0 H VAL A 25 -10.583 -3.990 -13.398 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.144 -4.847 -15.764 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.160 -3.761 -13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.090 -3.226 -14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.419 -4.975 -14.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.751 -4.031 -15.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.922 -1.608 -14.294 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.681 -2.332 -15.732 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.616 -2.151 -14.229 1.00 0.00 H new ATOM 380 N PRO A 26 -8.282 -7.112 -14.997 1.00 0.00 N ATOM 381 CA PRO A 26 -7.855 -8.455 -14.592 1.00 0.00 C ATOM 382 C PRO A 26 -6.477 -8.457 -13.936 1.00 0.00 C ATOM 383 O PRO A 26 -5.543 -9.115 -14.400 1.00 0.00 O ATOM 384 CB PRO A 26 -7.834 -9.251 -15.908 1.00 0.00 C ATOM 385 CG PRO A 26 -8.416 -8.341 -16.945 1.00 0.00 C ATOM 386 CD PRO A 26 -8.191 -6.943 -16.449 1.00 0.00 C ATOM 0 HA PRO A 26 -8.523 -8.879 -13.842 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.818 -9.544 -16.171 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -8.418 -10.167 -15.820 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.935 -8.493 -17.911 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.479 -8.538 -17.084 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.219 -6.554 -16.754 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.944 -6.251 -16.826 1.00 0.00 H new ATOM 394 N GLY A 27 -6.367 -7.698 -12.867 1.00 0.00 N ATOM 395 CA GLY A 27 -5.160 -7.657 -12.074 1.00 0.00 C ATOM 396 C GLY A 27 -5.493 -7.215 -10.675 1.00 0.00 C ATOM 397 O GLY A 27 -4.717 -6.527 -10.017 1.00 0.00 O ATOM 0 H GLY A 27 -7.113 -7.092 -12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.692 -8.641 -12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.441 -6.971 -12.522 1.00 0.00 H new ATOM 401 N VAL A 28 -6.660 -7.643 -10.222 1.00 0.00 N ATOM 402 CA VAL A 28 -7.244 -7.156 -8.987 1.00 0.00 C ATOM 403 C VAL A 28 -7.945 -8.297 -8.266 1.00 0.00 C ATOM 404 O VAL A 28 -8.800 -8.971 -8.842 1.00 0.00 O ATOM 405 CB VAL A 28 -8.273 -6.038 -9.273 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.074 -5.691 -8.025 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.588 -4.798 -9.826 1.00 0.00 C ATOM 0 H VAL A 28 -7.229 -8.340 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.444 -6.755 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.966 -6.414 -10.026 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.789 -4.902 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.610 -6.575 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.398 -5.347 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.333 -4.026 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.863 -4.429 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.076 -5.049 -10.755 1.00 0.00 H new ATOM 417 N GLN A 29 -7.572 -8.519 -7.016 1.00 0.00 N ATOM 418 CA GLN A 29 -8.170 -9.584 -6.227 1.00 0.00 C ATOM 419 C GLN A 29 -9.325 -9.046 -5.392 1.00 0.00 C ATOM 420 O GLN A 29 -10.374 -9.683 -5.288 1.00 0.00 O ATOM 421 CB GLN A 29 -7.120 -10.243 -5.328 1.00 0.00 C ATOM 422 CG GLN A 29 -5.872 -10.702 -6.074 1.00 0.00 C ATOM 423 CD GLN A 29 -6.166 -11.767 -7.116 1.00 0.00 C ATOM 424 OE1 GLN A 29 -6.951 -11.555 -8.038 1.00 0.00 O ATOM 425 NE2 GLN A 29 -5.531 -12.921 -6.983 1.00 0.00 N ATOM 0 H GLN A 29 -6.860 -7.977 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.560 -10.339 -6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.828 -9.538 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.570 -11.101 -4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.409 -9.843 -6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.149 -11.091 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.886 -13.062 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.686 -13.669 -7.658 1.00 0.00 H new ATOM 434 N SER A 30 -9.136 -7.874 -4.794 1.00 0.00 N ATOM 435 CA SER A 30 -10.187 -7.253 -3.988 1.00 0.00 C ATOM 436 C SER A 30 -10.013 -5.737 -3.931 1.00 0.00 C ATOM 437 O SER A 30 -8.986 -5.245 -3.470 1.00 0.00 O ATOM 438 CB SER A 30 -10.178 -7.821 -2.560 1.00 0.00 C ATOM 439 OG SER A 30 -9.977 -9.227 -2.560 1.00 0.00 O ATOM 0 H SER A 30 -8.271 -7.336 -4.850 1.00 0.00 H new ATOM 0 HA SER A 30 -11.142 -7.479 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.390 -7.340 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.122 -7.587 -2.069 1.00 0.00 H new ATOM 0 HG SER A 30 -9.975 -9.557 -1.637 1.00 0.00 H new ATOM 445 N ALA A 31 -11.006 -5.002 -4.413 1.00 0.00 N ATOM 446 CA ALA A 31 -10.991 -3.549 -4.319 1.00 0.00 C ATOM 447 C ALA A 31 -11.897 -3.081 -3.188 1.00 0.00 C ATOM 448 O ALA A 31 -13.093 -3.374 -3.185 1.00 0.00 O ATOM 449 CB ALA A 31 -11.428 -2.927 -5.635 1.00 0.00 C ATOM 0 H ALA A 31 -11.831 -5.388 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.972 -3.228 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.411 -1.841 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.748 -3.238 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.439 -3.256 -5.875 1.00 0.00 H new ATOM 455 N LEU A 32 -11.330 -2.368 -2.224 1.00 0.00 N ATOM 456 CA LEU A 32 -12.099 -1.860 -1.096 1.00 0.00 C ATOM 457 C LEU A 32 -11.883 -0.358 -0.929 1.00 0.00 C ATOM 458 O LEU A 32 -11.217 0.092 0.005 1.00 0.00 O ATOM 459 CB LEU A 32 -11.710 -2.596 0.191 1.00 0.00 C ATOM 460 CG LEU A 32 -12.397 -3.948 0.397 1.00 0.00 C ATOM 461 CD1 LEU A 32 -11.372 -5.073 0.376 1.00 0.00 C ATOM 462 CD2 LEU A 32 -13.180 -3.953 1.702 1.00 0.00 C ATOM 0 H LEU A 32 -10.339 -2.128 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.156 -2.037 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.631 -2.750 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.941 -1.955 1.042 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.098 -4.111 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.877 -6.028 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.858 -5.079 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.646 -4.919 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.662 -4.922 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.501 -3.770 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.939 -3.171 1.674 1.00 0.00 H new ATOM 474 N VAL A 33 -12.436 0.417 -1.848 1.00 0.00 N ATOM 475 CA VAL A 33 -12.338 1.869 -1.777 1.00 0.00 C ATOM 476 C VAL A 33 -13.211 2.390 -0.643 1.00 0.00 C ATOM 477 O VAL A 33 -14.432 2.256 -0.678 1.00 0.00 O ATOM 478 CB VAL A 33 -12.761 2.541 -3.096 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.103 3.905 -3.236 1.00 0.00 C ATOM 480 CG2 VAL A 33 -12.429 1.657 -4.293 1.00 0.00 C ATOM 0 H VAL A 33 -12.957 0.067 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.293 2.118 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.842 2.681 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.414 4.364 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.403 4.541 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.019 3.788 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.739 2.156 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.355 1.474 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.956 0.707 -4.201 1.00 0.00 H new ATOM 490 N SER A 34 -12.581 2.972 0.368 1.00 0.00 N ATOM 491 CA SER A 34 -13.295 3.383 1.565 1.00 0.00 C ATOM 492 C SER A 34 -13.361 4.905 1.687 1.00 0.00 C ATOM 493 O SER A 34 -12.342 5.571 1.901 1.00 0.00 O ATOM 494 CB SER A 34 -12.626 2.779 2.797 1.00 0.00 C ATOM 495 OG SER A 34 -11.673 1.795 2.422 1.00 0.00 O ATOM 0 H SER A 34 -11.580 3.169 0.382 1.00 0.00 H new ATOM 0 HA SER A 34 -14.319 3.016 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.137 3.565 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.381 2.333 3.444 1.00 0.00 H new ATOM 0 HG SER A 34 -12.134 0.954 2.220 1.00 0.00 H new ATOM 501 N TYR A 35 -14.574 5.434 1.550 1.00 0.00 N ATOM 502 CA TYR A 35 -14.840 6.866 1.693 1.00 0.00 C ATOM 503 C TYR A 35 -14.476 7.401 3.091 1.00 0.00 C ATOM 504 O TYR A 35 -13.881 8.472 3.185 1.00 0.00 O ATOM 505 CB TYR A 35 -16.306 7.178 1.315 1.00 0.00 C ATOM 506 CG TYR A 35 -17.123 7.951 2.336 1.00 0.00 C ATOM 507 CD1 TYR A 35 -16.920 9.314 2.521 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.072 7.318 3.133 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.639 10.024 3.464 1.00 0.00 C ATOM 510 CE2 TYR A 35 -18.798 8.022 4.074 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.666 9.359 4.178 1.00 0.00 C ATOM 512 OH TYR A 35 -19.291 10.081 5.180 1.00 0.00 O ATOM 0 H TYR A 35 -15.404 4.881 1.336 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.188 7.394 0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -16.304 7.742 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.814 6.235 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.187 9.827 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.244 6.258 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.422 11.065 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.476 7.497 4.731 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.980 9.526 5.602 1.00 0.00 H new ATOM 522 N PRO A 36 -14.809 6.689 4.200 1.00 0.00 N ATOM 523 CA PRO A 36 -14.495 7.168 5.559 1.00 0.00 C ATOM 524 C PRO A 36 -12.993 7.326 5.821 1.00 0.00 C ATOM 525 O PRO A 36 -12.587 7.699 6.920 1.00 0.00 O ATOM 526 CB PRO A 36 -15.075 6.084 6.474 1.00 0.00 C ATOM 527 CG PRO A 36 -15.210 4.880 5.611 1.00 0.00 C ATOM 528 CD PRO A 36 -15.526 5.399 4.242 1.00 0.00 C ATOM 0 HA PRO A 36 -14.911 8.162 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.417 5.890 7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.039 6.387 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.290 4.296 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.001 4.224 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.180 4.720 3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.599 5.529 4.098 1.00 0.00 H new ATOM 536 N LYS A 37 -12.171 7.038 4.816 1.00 0.00 N ATOM 537 CA LYS A 37 -10.727 7.204 4.937 1.00 0.00 C ATOM 538 C LYS A 37 -10.160 7.921 3.711 1.00 0.00 C ATOM 539 O LYS A 37 -9.103 8.548 3.780 1.00 0.00 O ATOM 540 CB LYS A 37 -10.022 5.851 5.104 1.00 0.00 C ATOM 541 CG LYS A 37 -10.867 4.772 5.765 1.00 0.00 C ATOM 542 CD LYS A 37 -10.200 3.406 5.665 1.00 0.00 C ATOM 543 CE LYS A 37 -10.433 2.574 6.917 1.00 0.00 C ATOM 544 NZ LYS A 37 -9.210 2.486 7.762 1.00 0.00 N ATOM 0 H LYS A 37 -12.481 6.689 3.909 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.544 7.807 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.707 5.497 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.118 5.998 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.028 5.024 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.848 4.735 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.589 2.874 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.129 3.534 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.245 3.012 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.750 1.571 6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.411 1.911 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.442 2.045 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.921 3.441 8.056 1.00 0.00 H new ATOM 558 N GLY A 38 -10.869 7.823 2.591 1.00 0.00 N ATOM 559 CA GLY A 38 -10.408 8.433 1.357 1.00 0.00 C ATOM 560 C GLY A 38 -9.337 7.601 0.685 1.00 0.00 C ATOM 561 O GLY A 38 -8.576 8.093 -0.156 1.00 0.00 O ATOM 0 H GLY A 38 -11.759 7.330 2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.250 8.559 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.017 9.428 1.568 1.00 0.00 H new ATOM 565 N THR A 39 -9.282 6.333 1.052 1.00 0.00 N ATOM 566 CA THR A 39 -8.244 5.447 0.564 1.00 0.00 C ATOM 567 C THR A 39 -8.827 4.344 -0.304 1.00 0.00 C ATOM 568 O THR A 39 -9.899 3.806 -0.016 1.00 0.00 O ATOM 569 CB THR A 39 -7.468 4.811 1.731 1.00 0.00 C ATOM 570 OG1 THR A 39 -7.758 5.513 2.945 1.00 0.00 O ATOM 571 CG2 THR A 39 -5.970 4.840 1.472 1.00 0.00 C ATOM 0 H THR A 39 -9.947 5.894 1.689 1.00 0.00 H new ATOM 0 HA THR A 39 -7.563 6.051 -0.035 1.00 0.00 H new ATOM 0 HB THR A 39 -7.782 3.771 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.263 5.104 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.447 4.384 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.747 4.284 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.641 5.873 1.356 1.00 0.00 H new ATOM 579 N ALA A 40 -8.116 4.014 -1.366 1.00 0.00 N ATOM 580 CA ALA A 40 -8.511 2.934 -2.245 1.00 0.00 C ATOM 581 C ALA A 40 -7.749 1.676 -1.869 1.00 0.00 C ATOM 582 O ALA A 40 -6.688 1.386 -2.428 1.00 0.00 O ATOM 583 CB ALA A 40 -8.256 3.310 -3.696 1.00 0.00 C ATOM 0 H ALA A 40 -7.254 4.485 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.579 2.747 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.558 2.487 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.832 4.200 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.194 3.512 -3.838 1.00 0.00 H new ATOM 589 N GLN A 41 -8.284 0.949 -0.898 1.00 0.00 N ATOM 590 CA GLN A 41 -7.633 -0.247 -0.388 1.00 0.00 C ATOM 591 C GLN A 41 -7.796 -1.389 -1.377 1.00 0.00 C ATOM 592 O GLN A 41 -8.739 -2.170 -1.298 1.00 0.00 O ATOM 593 CB GLN A 41 -8.212 -0.632 0.976 1.00 0.00 C ATOM 594 CG GLN A 41 -8.351 0.540 1.940 1.00 0.00 C ATOM 595 CD GLN A 41 -8.541 0.091 3.375 1.00 0.00 C ATOM 596 OE1 GLN A 41 -7.596 -0.351 4.031 1.00 0.00 O ATOM 597 NE2 GLN A 41 -9.758 0.212 3.880 1.00 0.00 N ATOM 0 H GLN A 41 -9.172 1.169 -0.446 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.570 -0.041 -0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.192 -1.087 0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.574 -1.390 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.463 1.168 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.199 1.155 1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.514 0.582 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.940 -0.065 4.845 1.00 0.00 H new ATOM 606 N LEU A 42 -6.876 -1.467 -2.320 1.00 0.00 N ATOM 607 CA LEU A 42 -6.960 -2.448 -3.378 1.00 0.00 C ATOM 608 C LEU A 42 -5.917 -3.536 -3.209 1.00 0.00 C ATOM 609 O LEU A 42 -4.724 -3.265 -3.085 1.00 0.00 O ATOM 610 CB LEU A 42 -6.792 -1.770 -4.738 1.00 0.00 C ATOM 611 CG LEU A 42 -8.099 -1.495 -5.477 1.00 0.00 C ATOM 612 CD1 LEU A 42 -8.307 0.000 -5.649 1.00 0.00 C ATOM 613 CD2 LEU A 42 -8.107 -2.201 -6.825 1.00 0.00 C ATOM 0 H LEU A 42 -6.059 -0.858 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.944 -2.914 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.265 -0.827 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.160 -2.397 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.924 -1.888 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.243 0.179 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.347 0.477 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.481 0.419 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.046 -1.994 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.275 -1.840 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.005 -3.276 -6.674 1.00 0.00 H new ATOM 625 N ALA A 43 -6.388 -4.768 -3.184 1.00 0.00 N ATOM 626 CA ALA A 43 -5.521 -5.923 -3.218 1.00 0.00 C ATOM 627 C ALA A 43 -5.286 -6.302 -4.668 1.00 0.00 C ATOM 628 O ALA A 43 -5.940 -7.203 -5.208 1.00 0.00 O ATOM 629 CB ALA A 43 -6.131 -7.083 -2.443 1.00 0.00 C ATOM 0 H ALA A 43 -7.382 -4.993 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.570 -5.684 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.460 -7.941 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.281 -6.788 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.090 -7.352 -2.886 1.00 0.00 H new ATOM 635 N ILE A 44 -4.399 -5.558 -5.307 1.00 0.00 N ATOM 636 CA ILE A 44 -4.081 -5.763 -6.711 1.00 0.00 C ATOM 637 C ILE A 44 -3.024 -6.842 -6.882 1.00 0.00 C ATOM 638 O ILE A 44 -2.224 -7.096 -5.980 1.00 0.00 O ATOM 639 CB ILE A 44 -3.588 -4.467 -7.384 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.834 -3.585 -6.386 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.762 -3.711 -7.980 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.897 -2.598 -7.044 1.00 0.00 C ATOM 0 H ILE A 44 -3.880 -4.797 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.006 -6.079 -7.194 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.898 -4.735 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.555 -3.039 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.263 -4.221 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.404 -2.797 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.257 -4.335 -8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.470 -3.458 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.396 -2.006 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.153 -3.138 -7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.465 -1.938 -7.699 1.00 0.00 H new ATOM 654 N VAL A 45 -3.037 -7.480 -8.039 1.00 0.00 N ATOM 655 CA VAL A 45 -2.077 -8.522 -8.349 1.00 0.00 C ATOM 656 C VAL A 45 -0.718 -7.906 -8.686 1.00 0.00 C ATOM 657 O VAL A 45 -0.650 -6.881 -9.375 1.00 0.00 O ATOM 658 CB VAL A 45 -2.591 -9.418 -9.508 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.583 -9.539 -10.648 1.00 0.00 C ATOM 660 CG2 VAL A 45 -2.966 -10.794 -8.981 1.00 0.00 C ATOM 0 H VAL A 45 -3.708 -7.292 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.955 -9.156 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.477 -8.934 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.994 -10.176 -11.431 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.376 -8.550 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.659 -9.977 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.325 -11.413 -9.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.091 -11.262 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.751 -10.695 -8.232 1.00 0.00 H new ATOM 670 N PRO A 46 0.375 -8.502 -8.173 1.00 0.00 N ATOM 671 CA PRO A 46 1.739 -8.046 -8.460 1.00 0.00 C ATOM 672 C PRO A 46 2.006 -7.966 -9.958 1.00 0.00 C ATOM 673 O PRO A 46 1.855 -8.951 -10.683 1.00 0.00 O ATOM 674 CB PRO A 46 2.621 -9.117 -7.813 1.00 0.00 C ATOM 675 CG PRO A 46 1.772 -9.702 -6.740 1.00 0.00 C ATOM 676 CD PRO A 46 0.365 -9.664 -7.266 1.00 0.00 C ATOM 0 HA PRO A 46 1.926 -7.042 -8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.922 -9.874 -8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.535 -8.685 -7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.077 -10.723 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.860 -9.130 -5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.107 -10.583 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.362 -9.542 -6.463 1.00 0.00 H new ATOM 684 N GLY A 47 2.395 -6.789 -10.412 1.00 0.00 N ATOM 685 CA GLY A 47 2.598 -6.564 -11.825 1.00 0.00 C ATOM 686 C GLY A 47 1.842 -5.342 -12.287 1.00 0.00 C ATOM 687 O GLY A 47 2.317 -4.580 -13.132 1.00 0.00 O ATOM 0 H GLY A 47 2.576 -5.977 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.661 -6.438 -12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.267 -7.437 -12.388 1.00 0.00 H new ATOM 691 N THR A 48 0.661 -5.155 -11.719 1.00 0.00 N ATOM 692 CA THR A 48 -0.146 -3.982 -11.993 1.00 0.00 C ATOM 693 C THR A 48 0.309 -2.820 -11.130 1.00 0.00 C ATOM 694 O THR A 48 0.133 -2.829 -9.912 1.00 0.00 O ATOM 695 CB THR A 48 -1.638 -4.265 -11.743 1.00 0.00 C ATOM 696 OG1 THR A 48 -1.858 -5.684 -11.652 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.496 -3.682 -12.856 1.00 0.00 C ATOM 0 H THR A 48 0.239 -5.809 -11.060 1.00 0.00 H new ATOM 0 HA THR A 48 -0.017 -3.723 -13.044 1.00 0.00 H new ATOM 0 HB THR A 48 -1.924 -3.791 -10.804 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.557 -6.006 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.546 -3.896 -12.656 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.348 -2.603 -12.903 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.210 -4.129 -13.808 1.00 0.00 H new ATOM 705 N SER A 49 0.908 -1.829 -11.768 1.00 0.00 N ATOM 706 CA SER A 49 1.460 -0.701 -11.052 1.00 0.00 C ATOM 707 C SER A 49 0.348 0.221 -10.564 1.00 0.00 C ATOM 708 O SER A 49 -0.638 0.440 -11.270 1.00 0.00 O ATOM 709 CB SER A 49 2.440 0.064 -11.946 1.00 0.00 C ATOM 710 OG SER A 49 1.920 0.231 -13.257 1.00 0.00 O ATOM 0 H SER A 49 1.022 -1.786 -12.781 1.00 0.00 H new ATOM 0 HA SER A 49 2.000 -1.073 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.649 1.040 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.387 -0.473 -11.994 1.00 0.00 H new ATOM 0 HG SER A 49 2.139 1.129 -13.584 1.00 0.00 H new ATOM 716 N PRO A 50 0.482 0.768 -9.346 1.00 0.00 N ATOM 717 CA PRO A 50 -0.503 1.694 -8.785 1.00 0.00 C ATOM 718 C PRO A 50 -0.691 2.932 -9.650 1.00 0.00 C ATOM 719 O PRO A 50 -1.760 3.545 -9.647 1.00 0.00 O ATOM 720 CB PRO A 50 0.078 2.068 -7.416 1.00 0.00 C ATOM 721 CG PRO A 50 1.034 0.972 -7.090 1.00 0.00 C ATOM 722 CD PRO A 50 1.585 0.503 -8.407 1.00 0.00 C ATOM 0 HA PRO A 50 -1.493 1.241 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.582 3.034 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.706 2.145 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.831 1.330 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.533 0.159 -6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.488 1.047 -8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.846 -0.555 -8.381 1.00 0.00 H new ATOM 730 N ASP A 51 0.345 3.290 -10.399 1.00 0.00 N ATOM 731 CA ASP A 51 0.260 4.391 -11.351 1.00 0.00 C ATOM 732 C ASP A 51 -0.795 4.101 -12.412 1.00 0.00 C ATOM 733 O ASP A 51 -1.451 5.014 -12.908 1.00 0.00 O ATOM 734 CB ASP A 51 1.627 4.646 -12.004 1.00 0.00 C ATOM 735 CG ASP A 51 1.746 4.061 -13.403 1.00 0.00 C ATOM 736 OD1 ASP A 51 2.038 2.852 -13.526 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.556 4.811 -14.386 1.00 0.00 O ATOM 0 H ASP A 51 1.256 2.833 -10.365 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.035 5.290 -10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.804 5.720 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.408 4.222 -11.373 1.00 0.00 H new ATOM 742 N ALA A 52 -0.986 2.821 -12.724 1.00 0.00 N ATOM 743 CA ALA A 52 -1.939 2.420 -13.751 1.00 0.00 C ATOM 744 C ALA A 52 -3.354 2.523 -13.210 1.00 0.00 C ATOM 745 O ALA A 52 -4.290 2.880 -13.923 1.00 0.00 O ATOM 746 CB ALA A 52 -1.648 1.006 -14.238 1.00 0.00 C ATOM 0 H ALA A 52 -0.493 2.046 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.839 3.092 -14.603 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.372 0.729 -15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.643 0.965 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.721 0.311 -13.402 1.00 0.00 H new ATOM 752 N LEU A 53 -3.490 2.233 -11.926 1.00 0.00 N ATOM 753 CA LEU A 53 -4.771 2.321 -11.249 1.00 0.00 C ATOM 754 C LEU A 53 -5.139 3.783 -11.069 1.00 0.00 C ATOM 755 O LEU A 53 -6.267 4.197 -11.334 1.00 0.00 O ATOM 756 CB LEU A 53 -4.698 1.630 -9.891 1.00 0.00 C ATOM 757 CG LEU A 53 -4.885 0.111 -9.915 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.541 -0.593 -10.027 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.625 -0.345 -8.668 1.00 0.00 C ATOM 0 H LEU A 53 -2.720 1.932 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.533 1.824 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.731 1.853 -9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.459 2.062 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.480 -0.152 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.696 -1.672 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.044 -0.284 -10.947 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.919 -0.328 -9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.752 -1.427 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.051 -0.070 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.603 0.135 -8.630 1.00 0.00 H new ATOM 771 N THR A 54 -4.157 4.564 -10.635 1.00 0.00 N ATOM 772 CA THR A 54 -4.310 6.001 -10.503 1.00 0.00 C ATOM 773 C THR A 54 -4.703 6.607 -11.847 1.00 0.00 C ATOM 774 O THR A 54 -5.590 7.455 -11.927 1.00 0.00 O ATOM 775 CB THR A 54 -3.002 6.647 -10.009 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.546 5.983 -8.822 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.190 8.127 -9.723 1.00 0.00 C ATOM 0 H THR A 54 -3.236 4.217 -10.366 1.00 0.00 H new ATOM 0 HA THR A 54 -5.094 6.196 -9.771 1.00 0.00 H new ATOM 0 HB THR A 54 -2.258 6.543 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.140 5.124 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.249 8.553 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.505 8.636 -10.634 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.951 8.255 -8.954 1.00 0.00 H new ATOM 785 N ALA A 55 -4.046 6.136 -12.901 1.00 0.00 N ATOM 786 CA ALA A 55 -4.332 6.584 -14.259 1.00 0.00 C ATOM 787 C ALA A 55 -5.733 6.169 -14.687 1.00 0.00 C ATOM 788 O ALA A 55 -6.421 6.909 -15.388 1.00 0.00 O ATOM 789 CB ALA A 55 -3.299 6.036 -15.231 1.00 0.00 C ATOM 0 H ALA A 55 -3.305 5.438 -12.839 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.280 7.673 -14.272 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.529 6.381 -16.239 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.308 6.387 -14.945 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.319 4.946 -15.207 1.00 0.00 H new ATOM 795 N ALA A 56 -6.148 4.984 -14.259 1.00 0.00 N ATOM 796 CA ALA A 56 -7.483 4.490 -14.558 1.00 0.00 C ATOM 797 C ALA A 56 -8.540 5.355 -13.893 1.00 0.00 C ATOM 798 O ALA A 56 -9.532 5.717 -14.518 1.00 0.00 O ATOM 799 CB ALA A 56 -7.627 3.040 -14.122 1.00 0.00 C ATOM 0 H ALA A 56 -5.577 4.347 -13.703 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.631 4.541 -15.637 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.632 2.688 -14.354 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.897 2.427 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.455 2.964 -13.048 1.00 0.00 H new ATOM 805 N VAL A 57 -8.315 5.694 -12.628 1.00 0.00 N ATOM 806 CA VAL A 57 -9.223 6.565 -11.892 1.00 0.00 C ATOM 807 C VAL A 57 -9.176 7.973 -12.467 1.00 0.00 C ATOM 808 O VAL A 57 -10.201 8.654 -12.564 1.00 0.00 O ATOM 809 CB VAL A 57 -8.880 6.614 -10.386 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.904 7.447 -9.628 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.802 5.211 -9.804 1.00 0.00 C ATOM 0 H VAL A 57 -7.508 5.377 -12.090 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.227 6.153 -11.997 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.903 7.085 -10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.644 7.469 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.909 8.464 -10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.893 7.006 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.559 5.270 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.763 4.711 -9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.028 4.645 -10.322 1.00 0.00 H new ATOM 821 N ALA A 58 -7.980 8.401 -12.863 1.00 0.00 N ATOM 822 CA ALA A 58 -7.810 9.701 -13.497 1.00 0.00 C ATOM 823 C ALA A 58 -8.583 9.757 -14.810 1.00 0.00 C ATOM 824 O ALA A 58 -9.208 10.768 -15.131 1.00 0.00 O ATOM 825 CB ALA A 58 -6.335 9.990 -13.734 1.00 0.00 C ATOM 0 H ALA A 58 -7.118 7.867 -12.756 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.207 10.466 -12.829 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.227 10.965 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.806 9.990 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.914 9.222 -14.383 1.00 0.00 H new ATOM 831 N GLY A 59 -8.546 8.659 -15.550 1.00 0.00 N ATOM 832 CA GLY A 59 -9.255 8.582 -16.809 1.00 0.00 C ATOM 833 C GLY A 59 -10.705 8.179 -16.637 1.00 0.00 C ATOM 834 O GLY A 59 -11.487 8.232 -17.585 1.00 0.00 O ATOM 0 H GLY A 59 -8.033 7.814 -15.298 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.207 9.550 -17.308 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.757 7.863 -17.459 1.00 0.00 H new ATOM 838 N LEU A 60 -11.069 7.768 -15.431 1.00 0.00 N ATOM 839 CA LEU A 60 -12.451 7.402 -15.134 1.00 0.00 C ATOM 840 C LEU A 60 -13.340 8.636 -15.023 1.00 0.00 C ATOM 841 O LEU A 60 -14.569 8.535 -15.033 1.00 0.00 O ATOM 842 CB LEU A 60 -12.520 6.597 -13.842 1.00 0.00 C ATOM 843 CG LEU A 60 -13.103 5.194 -13.977 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.620 5.248 -14.003 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.571 4.504 -15.223 1.00 0.00 C ATOM 0 H LEU A 60 -10.429 7.679 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.817 6.791 -15.959 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.514 6.516 -13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.117 7.152 -13.119 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.793 4.612 -13.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.018 4.238 -14.100 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.984 5.695 -13.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.948 5.850 -14.850 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.001 3.505 -15.297 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.845 5.084 -16.105 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.485 4.428 -15.161 1.00 0.00 H new ATOM 857 N GLY A 61 -12.716 9.799 -14.926 1.00 0.00 N ATOM 858 CA GLY A 61 -13.466 11.034 -14.808 1.00 0.00 C ATOM 859 C GLY A 61 -13.203 11.731 -13.493 1.00 0.00 C ATOM 860 O GLY A 61 -13.703 12.829 -13.244 1.00 0.00 O ATOM 0 H GLY A 61 -11.702 9.911 -14.927 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.202 11.699 -15.630 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.531 10.822 -14.899 1.00 0.00 H new ATOM 864 N TYR A 62 -12.425 11.082 -12.645 1.00 0.00 N ATOM 865 CA TYR A 62 -12.048 11.645 -11.360 1.00 0.00 C ATOM 866 C TYR A 62 -10.535 11.793 -11.304 1.00 0.00 C ATOM 867 O TYR A 62 -9.865 11.744 -12.335 1.00 0.00 O ATOM 868 CB TYR A 62 -12.532 10.752 -10.207 1.00 0.00 C ATOM 869 CG TYR A 62 -13.779 9.948 -10.518 1.00 0.00 C ATOM 870 CD1 TYR A 62 -13.691 8.699 -11.119 1.00 0.00 C ATOM 871 CD2 TYR A 62 -15.044 10.441 -10.216 1.00 0.00 C ATOM 872 CE1 TYR A 62 -14.825 7.963 -11.407 1.00 0.00 C ATOM 873 CE2 TYR A 62 -16.183 9.711 -10.499 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.069 8.471 -11.083 1.00 0.00 C ATOM 875 OH TYR A 62 -17.200 7.743 -11.376 1.00 0.00 O ATOM 0 H TYR A 62 -12.039 10.155 -12.826 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.519 12.622 -11.251 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.730 10.065 -9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.726 11.378 -9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -12.720 8.296 -11.366 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.138 11.412 -9.752 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -14.740 6.997 -11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.157 10.112 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.993 8.239 -11.083 1.00 0.00 H new ATOM 885 N LYS A 63 -9.997 11.964 -10.109 1.00 0.00 N ATOM 886 CA LYS A 63 -8.562 12.058 -9.929 1.00 0.00 C ATOM 887 C LYS A 63 -8.147 11.246 -8.714 1.00 0.00 C ATOM 888 O LYS A 63 -8.945 11.051 -7.788 1.00 0.00 O ATOM 889 CB LYS A 63 -8.131 13.518 -9.776 1.00 0.00 C ATOM 890 CG LYS A 63 -7.232 14.001 -10.904 1.00 0.00 C ATOM 891 CD LYS A 63 -8.035 14.408 -12.133 1.00 0.00 C ATOM 892 CE LYS A 63 -7.538 13.705 -13.389 1.00 0.00 C ATOM 893 NZ LYS A 63 -8.645 13.413 -14.341 1.00 0.00 N ATOM 0 H LYS A 63 -10.536 12.041 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.067 11.654 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.019 14.149 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.608 13.638 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.640 14.849 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.531 13.211 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.087 14.171 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.969 15.487 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.791 14.328 -13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.044 12.774 -13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.694 12.388 -14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.546 13.740 -13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.469 13.906 -15.240 1.00 0.00 H new ATOM 907 N ALA A 64 -6.916 10.765 -8.719 1.00 0.00 N ATOM 908 CA ALA A 64 -6.440 9.922 -7.638 1.00 0.00 C ATOM 909 C ALA A 64 -4.947 10.098 -7.405 1.00 0.00 C ATOM 910 O ALA A 64 -4.293 10.927 -8.039 1.00 0.00 O ATOM 911 CB ALA A 64 -6.764 8.462 -7.925 1.00 0.00 C ATOM 0 H ALA A 64 -6.232 10.943 -9.455 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.954 10.228 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.401 7.841 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.843 8.341 -8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.280 8.158 -8.853 1.00 0.00 H new ATOM 917 N THR A 65 -4.437 9.327 -6.463 1.00 0.00 N ATOM 918 CA THR A 65 -3.026 9.288 -6.129 1.00 0.00 C ATOM 919 C THR A 65 -2.684 7.873 -5.662 1.00 0.00 C ATOM 920 O THR A 65 -3.436 6.939 -5.939 1.00 0.00 O ATOM 921 CB THR A 65 -2.683 10.313 -5.031 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.703 11.319 -4.970 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.339 10.974 -5.298 1.00 0.00 C ATOM 0 H THR A 65 -5.005 8.697 -5.897 1.00 0.00 H new ATOM 0 HA THR A 65 -2.438 9.549 -7.009 1.00 0.00 H new ATOM 0 HB THR A 65 -2.626 9.784 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.350 12.116 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.123 11.692 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.558 10.214 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.371 11.490 -6.258 1.00 0.00 H new ATOM 931 N LEU A 66 -1.599 7.702 -4.925 1.00 0.00 N ATOM 932 CA LEU A 66 -1.211 6.370 -4.491 1.00 0.00 C ATOM 933 C LEU A 66 -0.413 6.419 -3.200 1.00 0.00 C ATOM 934 O LEU A 66 0.322 7.374 -2.943 1.00 0.00 O ATOM 935 CB LEU A 66 -0.402 5.661 -5.584 1.00 0.00 C ATOM 936 CG LEU A 66 0.965 6.277 -5.898 1.00 0.00 C ATOM 937 CD1 LEU A 66 2.064 5.240 -5.731 1.00 0.00 C ATOM 938 CD2 LEU A 66 0.983 6.851 -7.308 1.00 0.00 C ATOM 0 H LEU A 66 -0.981 8.454 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.124 5.805 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.253 4.623 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.994 5.648 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 66 1.146 7.090 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.029 5.693 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.067 4.875 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.885 4.408 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.962 7.284 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.780 6.057 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.219 7.624 -7.396 1.00 0.00 H new ATOM 950 N ALA A 67 -0.573 5.379 -2.395 1.00 0.00 N ATOM 951 CA ALA A 67 0.142 5.244 -1.140 1.00 0.00 C ATOM 952 C ALA A 67 0.467 3.777 -0.919 1.00 0.00 C ATOM 953 O ALA A 67 -0.100 3.124 -0.040 1.00 0.00 O ATOM 954 CB ALA A 67 -0.687 5.792 0.013 1.00 0.00 C ATOM 0 H ALA A 67 -1.205 4.604 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 67 1.067 5.820 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.132 5.681 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.898 6.847 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.625 5.241 0.081 1.00 0.00 H new