USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 458 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 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 23 LYS NZ :NH3+ 152:sc= -0.066 (180deg=-0.321) USER MOD Single : A 1 ARG N :NH3+ 136:sc= -0.393 (180deg=-1.54) USER MOD Single : A 4 TYR OH : rot -130:sc= -2.02! USER MOD Single : A 6 ASN : amide:sc= -15.1! C(o=-15!,f=-26!) USER MOD Single : A 8 HIS : no HD1:sc= -15.9! C(o=-16!,f=-13!) USER MOD Single : A 10 THR OG1 : rot -85:sc= -3.8! USER MOD Single : A 11 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.75) USER MOD Single : A 12 THR OG1 : rot -15:sc= 0.389 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= -1.1! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -36:sc= 0.724 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0505 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.56 K(o=-2.6,f=-1.1) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= 0.149 (180deg=-0.0885) USER MOD Single : A 58 SER OG : rot 4:sc= 0.724 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.09! X(o=-2.1!,f=-2.4) USER MOD Single : A 64 THR OG1 : rot 67:sc= -0.507 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.289 15.143 -1.790 1.00 0.00 N ATOM 2 CA ARG A 1 3.009 13.722 -2.120 1.00 0.00 C ATOM 3 C ARG A 1 2.751 12.929 -0.833 1.00 0.00 C ATOM 4 O ARG A 1 3.084 13.357 0.254 1.00 0.00 O ATOM 5 CB ARG A 1 4.207 13.139 -2.894 1.00 0.00 C ATOM 6 CG ARG A 1 5.178 12.423 -1.947 1.00 0.00 C ATOM 7 CD ARG A 1 5.804 13.441 -0.991 1.00 0.00 C ATOM 8 NE ARG A 1 7.203 13.035 -0.683 1.00 0.00 N ATOM 9 CZ ARG A 1 8.066 13.925 -0.277 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.099 15.105 -0.833 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.897 13.635 0.687 1.00 0.00 N ATOM 0 H1 ARG A 1 4.097 15.477 -2.353 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.452 15.721 -2.008 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.514 15.227 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 1 2.118 13.654 -2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.850 12.440 -3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.729 13.939 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.651 11.654 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.957 11.920 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.792 14.434 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.220 13.500 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 1 7.487 12.061 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.450 15.332 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.774 15.800 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.871 12.713 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.572 14.330 1.005 1.00 0.00 H new ATOM 27 N GLU A 2 2.169 11.767 -0.957 1.00 0.00 N ATOM 28 CA GLU A 2 1.895 10.929 0.240 1.00 0.00 C ATOM 29 C GLU A 2 2.487 9.541 0.002 1.00 0.00 C ATOM 30 O GLU A 2 2.817 9.193 -1.115 1.00 0.00 O ATOM 31 CB GLU A 2 0.385 10.816 0.455 1.00 0.00 C ATOM 32 CG GLU A 2 0.075 10.899 1.951 1.00 0.00 C ATOM 33 CD GLU A 2 -1.437 11.000 2.154 1.00 0.00 C ATOM 34 OE1 GLU A 2 -2.017 11.961 1.675 1.00 0.00 O ATOM 35 OE2 GLU A 2 -1.991 10.116 2.787 1.00 0.00 O ATOM 0 H GLU A 2 1.870 11.361 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 2 2.343 11.381 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.130 11.615 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.019 9.873 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.463 10.019 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.570 11.766 2.388 1.00 0.00 H new ATOM 42 N CYS A 3 2.633 8.753 1.038 1.00 0.00 N ATOM 43 CA CYS A 3 3.217 7.392 0.885 1.00 0.00 C ATOM 44 C CYS A 3 4.741 7.515 0.934 1.00 0.00 C ATOM 45 O CYS A 3 5.407 6.790 1.642 1.00 0.00 O ATOM 46 CB CYS A 3 2.776 6.758 -0.442 1.00 0.00 C ATOM 47 SG CYS A 3 1.020 7.111 -0.757 1.00 0.00 S ATOM 0 H CYS A 3 2.369 9.000 1.992 1.00 0.00 H new ATOM 0 HA CYS A 3 2.867 6.749 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.384 7.147 -1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.937 5.680 -0.409 1.00 0.00 H new ATOM 52 N TYR A 4 5.284 8.449 0.201 1.00 0.00 N ATOM 53 CA TYR A 4 6.764 8.668 0.194 1.00 0.00 C ATOM 54 C TYR A 4 7.493 7.331 0.167 1.00 0.00 C ATOM 55 O TYR A 4 7.806 6.812 -0.887 1.00 0.00 O ATOM 56 CB TYR A 4 7.193 9.459 1.437 1.00 0.00 C ATOM 57 CG TYR A 4 6.080 9.448 2.477 1.00 0.00 C ATOM 58 CD1 TYR A 4 4.949 10.255 2.300 1.00 0.00 C ATOM 59 CD2 TYR A 4 6.189 8.634 3.611 1.00 0.00 C ATOM 60 CE1 TYR A 4 3.926 10.247 3.256 1.00 0.00 C ATOM 61 CE2 TYR A 4 5.167 8.627 4.569 1.00 0.00 C ATOM 62 CZ TYR A 4 4.035 9.434 4.391 1.00 0.00 C ATOM 63 OH TYR A 4 3.028 9.429 5.334 1.00 0.00 O ATOM 0 H TYR A 4 4.758 9.081 -0.403 1.00 0.00 H new ATOM 0 HA TYR A 4 7.023 9.238 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.099 9.024 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.431 10.486 1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.866 10.884 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.061 8.012 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.053 10.868 3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.251 8.000 5.444 1.00 0.00 H new ATOM 0 HH TYR A 4 3.414 9.557 6.226 1.00 0.00 H new ATOM 73 N LEU A 5 7.764 6.753 1.306 1.00 0.00 N ATOM 74 CA LEU A 5 8.457 5.459 1.306 1.00 0.00 C ATOM 75 C LEU A 5 7.830 4.499 2.318 1.00 0.00 C ATOM 76 O LEU A 5 7.424 3.408 1.972 1.00 0.00 O ATOM 77 CB LEU A 5 9.921 5.643 1.621 1.00 0.00 C ATOM 78 CG LEU A 5 10.449 6.897 0.922 1.00 0.00 C ATOM 79 CD1 LEU A 5 10.424 8.076 1.898 1.00 0.00 C ATOM 80 CD2 LEU A 5 11.885 6.653 0.452 1.00 0.00 C ATOM 0 H LEU A 5 7.532 7.128 2.226 1.00 0.00 H new ATOM 0 HA LEU A 5 8.356 5.029 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.062 5.730 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.485 4.769 1.295 1.00 0.00 H new ATOM 0 HG LEU A 5 9.819 7.125 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.800 8.969 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.401 8.250 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.053 7.849 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 5 12.262 7.546 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.515 6.424 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.902 5.815 -0.244 1.00 0.00 H new ATOM 92 N ASN A 6 7.757 4.876 3.562 1.00 0.00 N ATOM 93 CA ASN A 6 7.166 3.953 4.568 1.00 0.00 C ATOM 94 C ASN A 6 7.910 2.613 4.493 1.00 0.00 C ATOM 95 O ASN A 6 8.747 2.422 3.633 1.00 0.00 O ATOM 96 CB ASN A 6 5.665 3.769 4.270 1.00 0.00 C ATOM 97 CG ASN A 6 5.431 2.553 3.361 1.00 0.00 C ATOM 98 OD1 ASN A 6 5.762 1.440 3.718 1.00 0.00 O ATOM 99 ND2 ASN A 6 4.869 2.721 2.195 1.00 0.00 N ATOM 0 H ASN A 6 8.077 5.774 3.924 1.00 0.00 H new ATOM 0 HA ASN A 6 7.266 4.361 5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.118 3.640 5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.273 4.666 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.709 1.919 1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.590 3.655 1.893 1.00 0.00 H new ATOM 106 N PRO A 7 7.587 1.724 5.396 1.00 0.00 N ATOM 107 CA PRO A 7 8.212 0.392 5.455 1.00 0.00 C ATOM 108 C PRO A 7 7.571 -0.555 4.433 1.00 0.00 C ATOM 109 O PRO A 7 7.003 -1.567 4.791 1.00 0.00 O ATOM 110 CB PRO A 7 7.913 -0.076 6.881 1.00 0.00 C ATOM 111 CG PRO A 7 6.679 0.728 7.357 1.00 0.00 C ATOM 112 CD PRO A 7 6.576 1.965 6.445 1.00 0.00 C ATOM 0 HA PRO A 7 9.277 0.411 5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.711 -1.147 6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.767 0.101 7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.775 0.123 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.790 1.025 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.577 2.065 6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.783 2.884 6.994 1.00 0.00 H new ATOM 120 N HIS A 8 7.660 -0.244 3.164 1.00 0.00 N ATOM 121 CA HIS A 8 7.052 -1.143 2.139 1.00 0.00 C ATOM 122 C HIS A 8 6.928 -0.413 0.798 1.00 0.00 C ATOM 123 O HIS A 8 5.879 0.097 0.460 1.00 0.00 O ATOM 124 CB HIS A 8 5.660 -1.572 2.608 1.00 0.00 C ATOM 125 CG HIS A 8 5.698 -3.009 3.048 1.00 0.00 C ATOM 126 ND1 HIS A 8 4.543 -3.727 3.318 1.00 0.00 N ATOM 127 CD2 HIS A 8 6.739 -3.876 3.268 1.00 0.00 C ATOM 128 CE1 HIS A 8 4.914 -4.967 3.683 1.00 0.00 C ATOM 129 NE2 HIS A 8 6.241 -5.113 3.670 1.00 0.00 N ATOM 0 H HIS A 8 8.124 0.587 2.797 1.00 0.00 H new ATOM 0 HA HIS A 8 7.691 -2.017 2.010 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.331 -0.938 3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 8 4.938 -1.447 1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.785 -3.636 3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.222 -5.750 3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.775 -5.950 3.904 1.00 0.00 H new ATOM 137 N ASP A 9 7.986 -0.371 0.027 1.00 0.00 N ATOM 138 CA ASP A 9 7.928 0.310 -1.302 1.00 0.00 C ATOM 139 C ASP A 9 7.092 1.594 -1.194 1.00 0.00 C ATOM 140 O ASP A 9 6.904 2.122 -0.118 1.00 0.00 O ATOM 141 CB ASP A 9 7.304 -0.647 -2.323 1.00 0.00 C ATOM 142 CG ASP A 9 8.411 -1.320 -3.137 1.00 0.00 C ATOM 143 OD1 ASP A 9 9.437 -1.634 -2.557 1.00 0.00 O ATOM 144 OD2 ASP A 9 8.214 -1.511 -4.326 1.00 0.00 O ATOM 0 H ASP A 9 8.890 -0.781 0.262 1.00 0.00 H new ATOM 0 HA ASP A 9 8.934 0.579 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.705 -1.401 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.632 -0.101 -2.985 1.00 0.00 H new ATOM 149 N THR A 10 6.580 2.100 -2.293 1.00 0.00 N ATOM 150 CA THR A 10 5.760 3.329 -2.248 1.00 0.00 C ATOM 151 C THR A 10 5.503 3.832 -3.671 1.00 0.00 C ATOM 152 O THR A 10 6.099 3.366 -4.622 1.00 0.00 O ATOM 153 CB THR A 10 6.484 4.421 -1.460 1.00 0.00 C ATOM 154 OG1 THR A 10 7.829 4.025 -1.254 1.00 0.00 O ATOM 155 CG2 THR A 10 5.786 4.648 -0.114 1.00 0.00 C ATOM 0 H THR A 10 6.703 1.701 -3.224 1.00 0.00 H new ATOM 0 HA THR A 10 4.814 3.097 -1.759 1.00 0.00 H new ATOM 0 HB THR A 10 6.462 5.355 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.885 3.462 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.309 5.428 0.440 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.754 4.955 -0.286 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.798 3.723 0.463 1.00 0.00 H new ATOM 163 N GLN A 11 4.622 4.782 -3.820 1.00 0.00 N ATOM 164 CA GLN A 11 4.327 5.319 -5.169 1.00 0.00 C ATOM 165 C GLN A 11 4.263 6.853 -5.134 1.00 0.00 C ATOM 166 O GLN A 11 4.209 7.495 -6.164 1.00 0.00 O ATOM 167 CB GLN A 11 2.988 4.763 -5.659 1.00 0.00 C ATOM 168 CG GLN A 11 2.932 3.256 -5.396 1.00 0.00 C ATOM 169 CD GLN A 11 3.740 2.519 -6.466 1.00 0.00 C ATOM 170 OE1 GLN A 11 4.627 1.751 -6.153 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.468 2.723 -7.726 1.00 0.00 N ATOM 0 H GLN A 11 4.093 5.209 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 11 5.123 5.016 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.166 5.263 -5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.868 4.961 -6.724 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.332 3.034 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.897 2.913 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.723 3.368 -7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.000 2.237 -8.448 1.00 0.00 H new ATOM 180 N THR A 12 4.270 7.448 -3.966 1.00 0.00 N ATOM 181 CA THR A 12 4.207 8.937 -3.873 1.00 0.00 C ATOM 182 C THR A 12 2.954 9.451 -4.581 1.00 0.00 C ATOM 183 O THR A 12 2.474 8.874 -5.536 1.00 0.00 O ATOM 184 CB THR A 12 5.455 9.553 -4.514 1.00 0.00 C ATOM 185 OG1 THR A 12 5.346 9.494 -5.929 1.00 0.00 O ATOM 186 CG2 THR A 12 6.695 8.782 -4.060 1.00 0.00 C ATOM 0 H THR A 12 4.317 6.963 -3.070 1.00 0.00 H new ATOM 0 HA THR A 12 4.166 9.225 -2.823 1.00 0.00 H new ATOM 0 HB THR A 12 5.543 10.595 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.635 8.866 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.583 9.220 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.780 8.836 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.607 7.739 -4.365 1.00 0.00 H new ATOM 194 N CYS A 13 2.412 10.530 -4.096 1.00 0.00 N ATOM 195 CA CYS A 13 1.182 11.094 -4.704 1.00 0.00 C ATOM 196 C CYS A 13 1.189 12.615 -4.531 1.00 0.00 C ATOM 197 O CYS A 13 0.349 13.161 -3.840 1.00 0.00 O ATOM 198 CB CYS A 13 -0.018 10.508 -3.971 1.00 0.00 C ATOM 199 SG CYS A 13 -1.549 11.113 -4.719 1.00 0.00 S ATOM 0 H CYS A 13 2.774 11.049 -3.296 1.00 0.00 H new ATOM 0 HA CYS A 13 1.133 10.852 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.014 9.419 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.017 10.785 -2.917 1.00 0.00 H new ATOM 204 N PRO A 14 2.146 13.257 -5.151 1.00 0.00 N ATOM 205 CA PRO A 14 2.301 14.722 -5.075 1.00 0.00 C ATOM 206 C PRO A 14 1.249 15.419 -5.943 1.00 0.00 C ATOM 207 O PRO A 14 0.854 16.539 -5.681 1.00 0.00 O ATOM 208 CB PRO A 14 3.710 14.964 -5.625 1.00 0.00 C ATOM 209 CG PRO A 14 4.059 13.727 -6.486 1.00 0.00 C ATOM 210 CD PRO A 14 3.153 12.583 -5.996 1.00 0.00 C ATOM 0 HA PRO A 14 2.169 15.114 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.743 15.875 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.428 15.088 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.890 13.930 -7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.111 13.463 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.687 12.059 -6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.717 11.842 -5.429 1.00 0.00 H new ATOM 218 N SER A 15 0.792 14.764 -6.976 1.00 0.00 N ATOM 219 CA SER A 15 -0.232 15.386 -7.861 1.00 0.00 C ATOM 220 C SER A 15 -1.313 14.355 -8.193 1.00 0.00 C ATOM 221 O SER A 15 -1.023 13.244 -8.590 1.00 0.00 O ATOM 222 CB SER A 15 0.434 15.861 -9.154 1.00 0.00 C ATOM 223 OG SER A 15 1.456 16.797 -8.839 1.00 0.00 O ATOM 0 H SER A 15 1.084 13.824 -7.245 1.00 0.00 H new ATOM 0 HA SER A 15 -0.685 16.236 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.856 15.012 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.306 16.320 -9.810 1.00 0.00 H new ATOM 0 HG SER A 15 1.886 17.102 -9.665 1.00 0.00 H new ATOM 229 N GLY A 16 -2.558 14.713 -8.032 1.00 0.00 N ATOM 230 CA GLY A 16 -3.655 13.752 -8.339 1.00 0.00 C ATOM 231 C GLY A 16 -4.575 13.624 -7.124 1.00 0.00 C ATOM 232 O GLY A 16 -5.036 14.605 -6.577 1.00 0.00 O ATOM 0 H GLY A 16 -2.862 15.629 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.223 14.096 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.238 12.778 -8.597 1.00 0.00 H new ATOM 236 N GLN A 17 -4.846 12.421 -6.696 1.00 0.00 N ATOM 237 CA GLN A 17 -5.736 12.233 -5.516 1.00 0.00 C ATOM 238 C GLN A 17 -5.011 12.708 -4.255 1.00 0.00 C ATOM 239 O GLN A 17 -4.018 13.405 -4.324 1.00 0.00 O ATOM 240 CB GLN A 17 -6.089 10.751 -5.375 1.00 0.00 C ATOM 241 CG GLN A 17 -6.756 10.261 -6.662 1.00 0.00 C ATOM 242 CD GLN A 17 -8.131 10.914 -6.805 1.00 0.00 C ATOM 243 OE1 GLN A 17 -8.737 11.302 -5.826 1.00 0.00 O ATOM 244 NE2 GLN A 17 -8.652 11.055 -7.993 1.00 0.00 N ATOM 0 H GLN A 17 -4.490 11.561 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.650 12.812 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.189 10.169 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.758 10.605 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.134 10.507 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.857 9.176 -6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.143 10.729 -8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.568 11.491 -8.100 1.00 0.00 H new ATOM 253 N GLU A 18 -5.497 12.338 -3.102 1.00 0.00 N ATOM 254 CA GLU A 18 -4.831 12.772 -1.841 1.00 0.00 C ATOM 255 C GLU A 18 -4.837 11.621 -0.832 1.00 0.00 C ATOM 256 O GLU A 18 -4.471 11.789 0.314 1.00 0.00 O ATOM 257 CB GLU A 18 -5.583 13.967 -1.252 1.00 0.00 C ATOM 258 CG GLU A 18 -6.049 14.887 -2.383 1.00 0.00 C ATOM 259 CD GLU A 18 -6.084 16.334 -1.885 1.00 0.00 C ATOM 260 OE1 GLU A 18 -5.308 16.654 -1.000 1.00 0.00 O ATOM 261 OE2 GLU A 18 -6.888 17.096 -2.396 1.00 0.00 O ATOM 0 H GLU A 18 -6.325 11.755 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.802 13.058 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.440 13.621 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.936 14.515 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.376 14.801 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.039 14.586 -2.726 1.00 0.00 H new ATOM 268 N ILE A 19 -5.250 10.452 -1.245 1.00 0.00 N ATOM 269 CA ILE A 19 -5.281 9.298 -0.307 1.00 0.00 C ATOM 270 C ILE A 19 -4.121 8.361 -0.615 1.00 0.00 C ATOM 271 O ILE A 19 -3.572 8.359 -1.699 1.00 0.00 O ATOM 272 CB ILE A 19 -6.594 8.539 -0.485 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.758 9.548 -0.635 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.816 7.608 0.716 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.633 9.586 0.627 1.00 0.00 C ATOM 0 H ILE A 19 -5.567 10.249 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.198 9.661 0.717 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.553 7.928 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.357 10.542 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.369 9.275 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.753 7.067 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.992 6.897 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.860 8.199 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.441 10.305 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.054 8.597 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.026 9.884 1.482 1.00 0.00 H new ATOM 287 N CYS A 20 -3.759 7.557 0.334 1.00 0.00 N ATOM 288 CA CYS A 20 -2.643 6.593 0.117 1.00 0.00 C ATOM 289 C CYS A 20 -3.137 5.193 0.474 1.00 0.00 C ATOM 290 O CYS A 20 -3.470 4.914 1.604 1.00 0.00 O ATOM 291 CB CYS A 20 -1.449 6.967 1.007 1.00 0.00 C ATOM 292 SG CYS A 20 -0.003 5.964 0.559 1.00 0.00 S ATOM 0 H CYS A 20 -4.187 7.521 1.259 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.323 6.622 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.217 8.026 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.702 6.808 2.055 1.00 0.00 H new ATOM 297 N TYR A 21 -3.193 4.298 -0.466 1.00 0.00 N ATOM 298 CA TYR A 21 -3.674 2.938 -0.118 1.00 0.00 C ATOM 299 C TYR A 21 -2.470 2.050 0.139 1.00 0.00 C ATOM 300 O TYR A 21 -1.369 2.345 -0.278 1.00 0.00 O ATOM 301 CB TYR A 21 -4.535 2.354 -1.250 1.00 0.00 C ATOM 302 CG TYR A 21 -3.666 1.860 -2.388 1.00 0.00 C ATOM 303 CD1 TYR A 21 -2.850 0.730 -2.224 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.685 2.532 -3.614 1.00 0.00 C ATOM 305 CE1 TYR A 21 -2.055 0.280 -3.284 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.889 2.082 -4.674 1.00 0.00 C ATOM 307 CZ TYR A 21 -2.074 0.956 -4.508 1.00 0.00 C ATOM 308 OH TYR A 21 -1.288 0.512 -5.553 1.00 0.00 O ATOM 0 H TYR A 21 -2.932 4.444 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.296 2.992 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.140 1.533 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.225 3.114 -1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.836 0.207 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.315 3.400 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.427 -0.589 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.904 2.603 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.420 1.093 -6.331 1.00 0.00 H new ATOM 318 N VAL A 22 -2.665 0.966 0.821 1.00 0.00 N ATOM 319 CA VAL A 22 -1.519 0.069 1.098 1.00 0.00 C ATOM 320 C VAL A 22 -1.872 -1.347 0.639 1.00 0.00 C ATOM 321 O VAL A 22 -2.687 -2.023 1.235 1.00 0.00 O ATOM 322 CB VAL A 22 -1.206 0.094 2.599 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.154 1.550 3.092 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.296 -0.657 3.361 1.00 0.00 C ATOM 0 H VAL A 22 -3.563 0.662 1.198 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.635 0.404 0.555 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.242 -0.384 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.931 1.565 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.376 2.090 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.117 2.029 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.073 -0.639 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.259 -0.179 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.335 -1.690 3.016 1.00 0.00 H new ATOM 334 N LYS A 23 -1.271 -1.798 -0.430 1.00 0.00 N ATOM 335 CA LYS A 23 -1.578 -3.164 -0.938 1.00 0.00 C ATOM 336 C LYS A 23 -0.529 -4.136 -0.416 1.00 0.00 C ATOM 337 O LYS A 23 0.649 -3.838 -0.396 1.00 0.00 O ATOM 338 CB LYS A 23 -1.548 -3.167 -2.468 1.00 0.00 C ATOM 339 CG LYS A 23 -2.949 -2.888 -3.012 1.00 0.00 C ATOM 340 CD LYS A 23 -3.170 -3.708 -4.285 1.00 0.00 C ATOM 341 CE LYS A 23 -4.231 -3.031 -5.155 1.00 0.00 C ATOM 342 NZ LYS A 23 -3.687 -1.759 -5.711 1.00 0.00 N ATOM 0 H LYS A 23 -0.581 -1.278 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.569 -3.464 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.850 -2.411 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.191 -4.130 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.700 -3.146 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.064 -1.825 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.235 -3.798 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.487 -4.719 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.529 -3.696 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.125 -2.828 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.154 -1.548 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.864 -0.984 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.663 -1.857 -5.865 1.00 0.00 H new ATOM 356 N SER A 24 -0.939 -5.292 0.019 1.00 0.00 N ATOM 357 CA SER A 24 0.054 -6.258 0.545 1.00 0.00 C ATOM 358 C SER A 24 -0.196 -7.653 -0.027 1.00 0.00 C ATOM 359 O SER A 24 -1.076 -8.370 0.411 1.00 0.00 O ATOM 360 CB SER A 24 -0.041 -6.310 2.069 1.00 0.00 C ATOM 361 OG SER A 24 0.820 -5.324 2.626 1.00 0.00 O ATOM 0 H SER A 24 -1.909 -5.606 0.032 1.00 0.00 H new ATOM 0 HA SER A 24 1.050 -5.930 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.069 -6.134 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.239 -7.300 2.429 1.00 0.00 H new ATOM 0 HG SER A 24 0.761 -5.353 3.604 1.00 0.00 H new ATOM 367 N TRP A 25 0.582 -8.045 -0.997 1.00 0.00 N ATOM 368 CA TRP A 25 0.408 -9.400 -1.595 1.00 0.00 C ATOM 369 C TRP A 25 1.762 -10.119 -1.639 1.00 0.00 C ATOM 370 O TRP A 25 2.804 -9.499 -1.717 1.00 0.00 O ATOM 371 CB TRP A 25 -0.129 -9.259 -3.011 1.00 0.00 C ATOM 372 CG TRP A 25 0.879 -8.550 -3.835 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.733 -9.119 -4.710 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.155 -7.142 -3.845 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.499 -8.122 -5.291 1.00 0.00 N ATOM 376 CE2 TRP A 25 2.180 -6.879 -4.780 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.601 -6.078 -3.137 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.638 -5.580 -5.002 1.00 0.00 C ATOM 379 CZ3 TRP A 25 1.053 -4.785 -3.344 1.00 0.00 C ATOM 380 CH2 TRP A 25 2.072 -4.523 -4.276 1.00 0.00 C ATOM 0 H TRP A 25 1.332 -7.485 -1.403 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.292 -9.977 -0.990 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.340 -10.241 -3.434 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.068 -8.706 -3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.807 -10.175 -4.922 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.209 -8.285 -6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.187 -6.262 -2.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.419 -5.391 -5.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.618 -3.970 -2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.417 -3.512 -4.432 1.00 0.00 H new ATOM 391 N CYS A 26 1.750 -11.423 -1.584 1.00 0.00 N ATOM 392 CA CYS A 26 3.027 -12.194 -1.614 1.00 0.00 C ATOM 393 C CYS A 26 2.808 -13.489 -2.408 1.00 0.00 C ATOM 394 O CYS A 26 1.691 -13.921 -2.613 1.00 0.00 O ATOM 395 CB CYS A 26 3.442 -12.510 -0.165 1.00 0.00 C ATOM 396 SG CYS A 26 4.438 -14.030 -0.075 1.00 0.00 S ATOM 0 H CYS A 26 0.906 -11.991 -1.519 1.00 0.00 H new ATOM 0 HA CYS A 26 3.817 -11.617 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.012 -11.675 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.552 -12.620 0.454 1.00 0.00 H new ATOM 401 N ASN A 27 3.868 -14.115 -2.842 1.00 0.00 N ATOM 402 CA ASN A 27 3.725 -15.386 -3.607 1.00 0.00 C ATOM 403 C ASN A 27 4.363 -16.521 -2.802 1.00 0.00 C ATOM 404 O ASN A 27 4.540 -16.416 -1.605 1.00 0.00 O ATOM 405 CB ASN A 27 4.429 -15.253 -4.962 1.00 0.00 C ATOM 406 CG ASN A 27 3.968 -13.967 -5.652 1.00 0.00 C ATOM 407 OD1 ASN A 27 2.794 -13.788 -5.905 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.850 -13.060 -5.971 1.00 0.00 N ATOM 0 H ASN A 27 4.828 -13.801 -2.700 1.00 0.00 H new ATOM 0 HA ASN A 27 2.670 -15.601 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.510 -15.236 -4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.202 -16.116 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.553 -12.200 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.836 -13.211 -5.758 1.00 0.00 H new ATOM 415 N ALA A 28 4.710 -17.606 -3.439 1.00 0.00 N ATOM 416 CA ALA A 28 5.334 -18.734 -2.690 1.00 0.00 C ATOM 417 C ALA A 28 6.851 -18.554 -2.671 1.00 0.00 C ATOM 418 O ALA A 28 7.598 -19.506 -2.561 1.00 0.00 O ATOM 419 CB ALA A 28 4.983 -20.059 -3.371 1.00 0.00 C ATOM 0 H ALA A 28 4.589 -17.760 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 28 4.957 -18.744 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.440 -20.882 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.901 -20.187 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.358 -20.053 -4.394 1.00 0.00 H new ATOM 425 N TRP A 29 7.310 -17.342 -2.804 1.00 0.00 N ATOM 426 CA TRP A 29 8.775 -17.099 -2.823 1.00 0.00 C ATOM 427 C TRP A 29 9.192 -16.117 -1.716 1.00 0.00 C ATOM 428 O TRP A 29 10.363 -15.841 -1.543 1.00 0.00 O ATOM 429 CB TRP A 29 9.138 -16.524 -4.177 1.00 0.00 C ATOM 430 CG TRP A 29 8.581 -17.400 -5.246 1.00 0.00 C ATOM 431 CD1 TRP A 29 7.276 -17.725 -5.425 1.00 0.00 C ATOM 432 CD2 TRP A 29 9.315 -18.074 -6.281 1.00 0.00 C ATOM 433 NE1 TRP A 29 7.178 -18.556 -6.530 1.00 0.00 N ATOM 434 CE2 TRP A 29 8.418 -18.800 -7.092 1.00 0.00 C ATOM 435 CE3 TRP A 29 10.673 -18.108 -6.580 1.00 0.00 C ATOM 436 CZ2 TRP A 29 8.870 -19.547 -8.182 1.00 0.00 C ATOM 437 CZ3 TRP A 29 11.144 -18.855 -7.673 1.00 0.00 C ATOM 438 CH2 TRP A 29 10.241 -19.574 -8.475 1.00 0.00 C ATOM 0 H TRP A 29 6.731 -16.508 -2.901 1.00 0.00 H new ATOM 0 HA TRP A 29 9.298 -18.039 -2.646 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.741 -15.514 -4.275 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.221 -16.452 -4.277 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.453 -17.392 -4.810 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.302 -18.939 -6.884 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.371 -17.556 -5.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.171 -20.098 -8.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.200 -18.877 -7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.603 -20.147 -9.316 1.00 0.00 H new ATOM 449 N CYS A 30 8.262 -15.584 -0.962 1.00 0.00 N ATOM 450 CA CYS A 30 8.629 -14.630 0.120 1.00 0.00 C ATOM 451 C CYS A 30 9.347 -15.341 1.278 1.00 0.00 C ATOM 452 O CYS A 30 9.494 -14.772 2.340 1.00 0.00 O ATOM 453 CB CYS A 30 7.366 -13.968 0.662 1.00 0.00 C ATOM 454 SG CYS A 30 6.280 -13.486 -0.702 1.00 0.00 S ATOM 0 H CYS A 30 7.263 -15.771 -1.053 1.00 0.00 H new ATOM 0 HA CYS A 30 9.304 -13.886 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.843 -14.655 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.631 -13.091 1.253 1.00 0.00 H new ATOM 459 N SER A 31 9.783 -16.565 1.107 1.00 0.00 N ATOM 460 CA SER A 31 10.471 -17.265 2.231 1.00 0.00 C ATOM 461 C SER A 31 11.458 -16.300 2.895 1.00 0.00 C ATOM 462 O SER A 31 12.573 -16.118 2.446 1.00 0.00 O ATOM 463 CB SER A 31 11.205 -18.498 1.689 1.00 0.00 C ATOM 464 OG SER A 31 12.594 -18.221 1.573 1.00 0.00 O ATOM 0 H SER A 31 9.693 -17.104 0.246 1.00 0.00 H new ATOM 0 HA SER A 31 9.742 -17.590 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.049 -19.347 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.798 -18.776 0.717 1.00 0.00 H new ATOM 0 HG SER A 31 12.720 -17.288 1.300 1.00 0.00 H new ATOM 470 N SER A 32 11.032 -15.662 3.954 1.00 0.00 N ATOM 471 CA SER A 32 11.904 -14.682 4.661 1.00 0.00 C ATOM 472 C SER A 32 12.736 -13.905 3.654 1.00 0.00 C ATOM 473 O SER A 32 13.932 -14.082 3.534 1.00 0.00 O ATOM 474 CB SER A 32 12.831 -15.399 5.620 1.00 0.00 C ATOM 475 OG SER A 32 12.128 -16.457 6.259 1.00 0.00 O ATOM 0 H SER A 32 10.105 -15.781 4.363 1.00 0.00 H new ATOM 0 HA SER A 32 11.268 -13.995 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.693 -15.794 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.212 -14.700 6.364 1.00 0.00 H new ATOM 0 HG SER A 32 12.729 -16.922 6.878 1.00 0.00 H new ATOM 481 N ARG A 33 12.098 -13.045 2.941 1.00 0.00 N ATOM 482 CA ARG A 33 12.821 -12.225 1.927 1.00 0.00 C ATOM 483 C ARG A 33 12.232 -10.813 1.885 1.00 0.00 C ATOM 484 O ARG A 33 12.765 -9.893 2.474 1.00 0.00 O ATOM 485 CB ARG A 33 12.697 -12.880 0.549 1.00 0.00 C ATOM 486 CG ARG A 33 13.529 -12.088 -0.462 1.00 0.00 C ATOM 487 CD ARG A 33 13.567 -12.837 -1.793 1.00 0.00 C ATOM 488 NE ARG A 33 14.804 -12.465 -2.536 1.00 0.00 N ATOM 489 CZ ARG A 33 15.963 -12.504 -1.936 1.00 0.00 C ATOM 490 NH1 ARG A 33 16.436 -13.642 -1.505 1.00 0.00 N ATOM 491 NH2 ARG A 33 16.649 -11.407 -1.768 1.00 0.00 N ATOM 0 H ARG A 33 11.096 -12.864 3.009 1.00 0.00 H new ATOM 0 HA ARG A 33 13.874 -12.164 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.042 -13.913 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.653 -12.905 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.100 -11.096 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.541 -11.947 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.544 -13.913 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.686 -12.592 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 33 14.745 -12.180 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.900 -14.500 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.341 -13.673 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.280 -10.518 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.554 -11.438 -1.299 1.00 0.00 H new ATOM 505 N GLY A 34 11.141 -10.630 1.194 1.00 0.00 N ATOM 506 CA GLY A 34 10.528 -9.277 1.115 1.00 0.00 C ATOM 507 C GLY A 34 9.328 -9.311 0.168 1.00 0.00 C ATOM 508 O GLY A 34 9.440 -9.017 -1.005 1.00 0.00 O ATOM 0 H GLY A 34 10.648 -11.361 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.212 -8.951 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.263 -8.554 0.761 1.00 0.00 H new ATOM 512 N LYS A 35 8.180 -9.663 0.673 1.00 0.00 N ATOM 513 CA LYS A 35 6.965 -9.712 -0.188 1.00 0.00 C ATOM 514 C LYS A 35 6.899 -8.440 -1.036 1.00 0.00 C ATOM 515 O LYS A 35 7.663 -7.515 -0.845 1.00 0.00 O ATOM 516 CB LYS A 35 5.722 -9.796 0.701 1.00 0.00 C ATOM 517 CG LYS A 35 5.922 -10.885 1.760 1.00 0.00 C ATOM 518 CD LYS A 35 5.741 -10.284 3.154 1.00 0.00 C ATOM 519 CE LYS A 35 6.437 -11.171 4.187 1.00 0.00 C ATOM 520 NZ LYS A 35 5.414 -11.836 5.044 1.00 0.00 N ATOM 0 H LYS A 35 8.029 -9.920 1.649 1.00 0.00 H new ATOM 0 HA LYS A 35 7.008 -10.585 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.541 -8.835 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.844 -10.020 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.206 -11.693 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.918 -11.319 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.157 -9.277 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.680 -10.197 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.049 -11.921 3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.108 -10.572 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.888 -12.439 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.848 -11.113 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.791 -12.420 4.451 1.00 0.00 H new ATOM 534 N VAL A 36 5.982 -8.380 -1.961 1.00 0.00 N ATOM 535 CA VAL A 36 5.857 -7.162 -2.812 1.00 0.00 C ATOM 536 C VAL A 36 4.750 -6.288 -2.226 1.00 0.00 C ATOM 537 O VAL A 36 3.670 -6.190 -2.766 1.00 0.00 O ATOM 538 CB VAL A 36 5.483 -7.556 -4.245 1.00 0.00 C ATOM 539 CG1 VAL A 36 6.217 -6.650 -5.235 1.00 0.00 C ATOM 540 CG2 VAL A 36 5.877 -9.014 -4.506 1.00 0.00 C ATOM 0 H VAL A 36 5.313 -9.122 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 36 6.805 -6.625 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 36 4.406 -7.444 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.950 -6.932 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.932 -5.613 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.293 -6.759 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.608 -9.287 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.952 -9.130 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.351 -9.664 -3.806 1.00 0.00 H new ATOM 550 N LEU A 37 5.001 -5.685 -1.101 1.00 0.00 N ATOM 551 CA LEU A 37 3.968 -4.855 -0.448 1.00 0.00 C ATOM 552 C LEU A 37 4.315 -3.369 -0.586 1.00 0.00 C ATOM 553 O LEU A 37 5.194 -2.861 0.080 1.00 0.00 O ATOM 554 CB LEU A 37 3.938 -5.257 1.022 1.00 0.00 C ATOM 555 CG LEU A 37 3.246 -6.626 1.202 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.300 -7.462 -0.089 1.00 0.00 C ATOM 557 CD2 LEU A 37 3.947 -7.401 2.313 1.00 0.00 C ATOM 0 H LEU A 37 5.890 -5.735 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 37 2.994 -5.010 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.955 -5.304 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.410 -4.499 1.600 1.00 0.00 H new ATOM 0 HG LEU A 37 2.201 -6.443 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.803 -8.418 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.795 -6.925 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.340 -7.636 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.462 -8.368 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.993 -7.553 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.888 -6.837 3.244 1.00 0.00 H new ATOM 569 N GLU A 38 3.626 -2.670 -1.450 1.00 0.00 N ATOM 570 CA GLU A 38 3.908 -1.218 -1.635 1.00 0.00 C ATOM 571 C GLU A 38 2.614 -0.415 -1.487 1.00 0.00 C ATOM 572 O GLU A 38 1.530 -0.912 -1.725 1.00 0.00 O ATOM 573 CB GLU A 38 4.495 -0.981 -3.028 1.00 0.00 C ATOM 574 CG GLU A 38 3.432 -1.268 -4.090 1.00 0.00 C ATOM 575 CD GLU A 38 4.058 -2.071 -5.232 1.00 0.00 C ATOM 576 OE1 GLU A 38 4.694 -3.072 -4.946 1.00 0.00 O ATOM 577 OE2 GLU A 38 3.888 -1.674 -6.373 1.00 0.00 O ATOM 0 H GLU A 38 2.879 -3.044 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 38 4.623 -0.895 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.843 0.048 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.361 -1.625 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.604 -1.825 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.021 -0.333 -4.471 1.00 0.00 H new ATOM 584 N PHE A 39 2.724 0.826 -1.101 1.00 0.00 N ATOM 585 CA PHE A 39 1.517 1.672 -0.937 1.00 0.00 C ATOM 586 C PHE A 39 1.591 2.842 -1.925 1.00 0.00 C ATOM 587 O PHE A 39 2.649 3.385 -2.174 1.00 0.00 O ATOM 588 CB PHE A 39 1.461 2.193 0.502 1.00 0.00 C ATOM 589 CG PHE A 39 1.838 1.073 1.447 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.492 -0.249 1.137 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.537 1.352 2.629 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.841 -1.290 2.006 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.887 0.310 3.501 1.00 0.00 C ATOM 594 CZ PHE A 39 2.538 -1.012 3.187 1.00 0.00 C ATOM 0 H PHE A 39 3.607 1.291 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 39 0.617 1.091 -1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.143 3.034 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.460 2.558 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.955 -0.466 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.807 2.370 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.572 -2.308 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.424 0.525 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.807 -1.815 3.857 1.00 0.00 H new ATOM 604 N GLY A 40 0.483 3.226 -2.503 1.00 0.00 N ATOM 605 CA GLY A 40 0.514 4.350 -3.487 1.00 0.00 C ATOM 606 C GLY A 40 -0.575 5.373 -3.157 1.00 0.00 C ATOM 607 O GLY A 40 -0.907 5.593 -2.009 1.00 0.00 O ATOM 0 H GLY A 40 -0.436 2.814 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.492 4.831 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.367 3.964 -4.496 1.00 0.00 H new ATOM 611 N CYS A 41 -1.136 5.999 -4.160 1.00 0.00 N ATOM 612 CA CYS A 41 -2.196 7.008 -3.918 1.00 0.00 C ATOM 613 C CYS A 41 -3.547 6.339 -4.093 1.00 0.00 C ATOM 614 O CYS A 41 -3.644 5.186 -4.450 1.00 0.00 O ATOM 615 CB CYS A 41 -2.060 8.137 -4.942 1.00 0.00 C ATOM 616 SG CYS A 41 -2.880 9.641 -4.348 1.00 0.00 S ATOM 0 H CYS A 41 -0.900 5.849 -5.141 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.104 7.415 -2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.006 8.341 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.498 7.829 -5.891 1.00 0.00 H new ATOM 621 N ALA A 42 -4.583 7.062 -3.844 1.00 0.00 N ATOM 622 CA ALA A 42 -5.950 6.487 -3.983 1.00 0.00 C ATOM 623 C ALA A 42 -6.997 7.541 -3.631 1.00 0.00 C ATOM 624 O ALA A 42 -6.687 8.680 -3.339 1.00 0.00 O ATOM 625 CB ALA A 42 -6.095 5.292 -3.039 1.00 0.00 C ATOM 0 H ALA A 42 -4.552 8.037 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.100 6.164 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.095 4.869 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.354 4.535 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.940 5.620 -2.011 1.00 0.00 H new ATOM 631 N ALA A 43 -8.239 7.157 -3.666 1.00 0.00 N ATOM 632 CA ALA A 43 -9.334 8.106 -3.347 1.00 0.00 C ATOM 633 C ALA A 43 -10.010 7.703 -2.032 1.00 0.00 C ATOM 634 O ALA A 43 -10.305 8.535 -1.198 1.00 0.00 O ATOM 635 CB ALA A 43 -10.364 8.079 -4.476 1.00 0.00 C ATOM 0 H ALA A 43 -8.545 6.214 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.923 9.110 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.172 8.774 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.887 8.371 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.769 7.072 -4.575 1.00 0.00 H new ATOM 641 N THR A 44 -10.267 6.436 -1.838 1.00 0.00 N ATOM 642 CA THR A 44 -10.931 6.007 -0.575 1.00 0.00 C ATOM 643 C THR A 44 -10.464 4.601 -0.183 1.00 0.00 C ATOM 644 O THR A 44 -10.028 3.822 -1.007 1.00 0.00 O ATOM 645 CB THR A 44 -12.448 6.004 -0.775 1.00 0.00 C ATOM 646 OG1 THR A 44 -13.065 5.307 0.300 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.789 5.315 -2.096 1.00 0.00 C ATOM 0 H THR A 44 -10.048 5.686 -2.494 1.00 0.00 H new ATOM 0 HA THR A 44 -10.665 6.703 0.221 1.00 0.00 H new ATOM 0 HB THR A 44 -12.814 7.031 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.037 5.306 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.870 5.314 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.316 5.851 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.424 4.288 -2.075 1.00 0.00 H new ATOM 655 N CYS A 45 -10.548 4.284 1.080 1.00 0.00 N ATOM 656 CA CYS A 45 -10.114 2.958 1.569 1.00 0.00 C ATOM 657 C CYS A 45 -10.503 1.849 0.573 1.00 0.00 C ATOM 658 O CYS A 45 -11.669 1.533 0.439 1.00 0.00 O ATOM 659 CB CYS A 45 -10.798 2.689 2.908 1.00 0.00 C ATOM 660 SG CYS A 45 -10.124 1.177 3.635 1.00 0.00 S ATOM 0 H CYS A 45 -10.908 4.906 1.804 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.030 2.957 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.643 3.530 3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.874 2.589 2.765 1.00 0.00 H new ATOM 665 N PRO A 46 -9.521 1.272 -0.087 1.00 0.00 N ATOM 666 CA PRO A 46 -9.759 0.183 -1.055 1.00 0.00 C ATOM 667 C PRO A 46 -9.996 -1.153 -0.335 1.00 0.00 C ATOM 668 O PRO A 46 -10.057 -1.211 0.877 1.00 0.00 O ATOM 669 CB PRO A 46 -8.473 0.149 -1.884 1.00 0.00 C ATOM 670 CG PRO A 46 -7.376 0.829 -1.033 1.00 0.00 C ATOM 671 CD PRO A 46 -8.096 1.645 0.057 1.00 0.00 C ATOM 0 HA PRO A 46 -10.647 0.345 -1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.195 -0.877 -2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.609 0.673 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.717 0.084 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.753 1.476 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.720 1.401 1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.949 2.716 -0.085 1.00 0.00 H new ATOM 679 N SER A 47 -10.142 -2.226 -1.073 1.00 0.00 N ATOM 680 CA SER A 47 -10.388 -3.551 -0.426 1.00 0.00 C ATOM 681 C SER A 47 -9.409 -4.600 -0.974 1.00 0.00 C ATOM 682 O SER A 47 -8.277 -4.303 -1.293 1.00 0.00 O ATOM 683 CB SER A 47 -11.824 -3.991 -0.714 1.00 0.00 C ATOM 684 OG SER A 47 -12.688 -2.866 -0.619 1.00 0.00 O ATOM 0 H SER A 47 -10.102 -2.241 -2.092 1.00 0.00 H new ATOM 0 HA SER A 47 -10.237 -3.458 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.889 -4.431 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.130 -4.760 -0.005 1.00 0.00 H new ATOM 0 HG SER A 47 -13.609 -3.144 -0.805 1.00 0.00 H new ATOM 690 N VAL A 48 -9.830 -5.831 -1.080 1.00 0.00 N ATOM 691 CA VAL A 48 -8.908 -6.884 -1.594 1.00 0.00 C ATOM 692 C VAL A 48 -9.189 -7.143 -3.075 1.00 0.00 C ATOM 693 O VAL A 48 -10.143 -7.806 -3.432 1.00 0.00 O ATOM 694 CB VAL A 48 -9.106 -8.165 -0.796 1.00 0.00 C ATOM 695 CG1 VAL A 48 -8.453 -9.342 -1.527 1.00 0.00 C ATOM 696 CG2 VAL A 48 -8.470 -8.009 0.586 1.00 0.00 C ATOM 0 H VAL A 48 -10.767 -6.152 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.877 -6.547 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.174 -8.357 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.599 -10.255 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.909 -9.458 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.386 -9.152 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.612 -8.926 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.404 -7.811 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.941 -7.178 1.111 1.00 0.00 H new ATOM 706 N ASN A 49 -8.362 -6.620 -3.937 1.00 0.00 N ATOM 707 CA ASN A 49 -8.568 -6.820 -5.390 1.00 0.00 C ATOM 708 C ASN A 49 -8.017 -8.192 -5.810 1.00 0.00 C ATOM 709 O ASN A 49 -8.601 -9.216 -5.514 1.00 0.00 O ATOM 710 CB ASN A 49 -7.853 -5.703 -6.154 1.00 0.00 C ATOM 711 CG ASN A 49 -8.019 -5.920 -7.658 1.00 0.00 C ATOM 712 OD1 ASN A 49 -7.224 -5.442 -8.443 1.00 0.00 O ATOM 713 ND2 ASN A 49 -9.025 -6.625 -8.096 1.00 0.00 N ATOM 0 H ASN A 49 -7.547 -6.059 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.633 -6.789 -5.620 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.263 -4.734 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.795 -5.690 -5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.145 -6.775 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.692 -7.026 -7.437 1.00 0.00 H new ATOM 720 N THR A 50 -6.905 -8.227 -6.503 1.00 0.00 N ATOM 721 CA THR A 50 -6.337 -9.535 -6.940 1.00 0.00 C ATOM 722 C THR A 50 -5.790 -10.305 -5.736 1.00 0.00 C ATOM 723 O THR A 50 -4.611 -10.263 -5.451 1.00 0.00 O ATOM 724 CB THR A 50 -5.202 -9.290 -7.934 1.00 0.00 C ATOM 725 OG1 THR A 50 -4.662 -10.536 -8.350 1.00 0.00 O ATOM 726 CG2 THR A 50 -4.109 -8.455 -7.266 1.00 0.00 C ATOM 0 H THR A 50 -6.369 -7.406 -6.783 1.00 0.00 H new ATOM 0 HA THR A 50 -7.126 -10.121 -7.411 1.00 0.00 H new ATOM 0 HB THR A 50 -5.587 -8.753 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.935 -10.381 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.300 -8.281 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.525 -7.499 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.722 -8.989 -6.398 1.00 0.00 H new ATOM 734 N GLY A 51 -6.632 -11.019 -5.038 1.00 0.00 N ATOM 735 CA GLY A 51 -6.155 -11.803 -3.860 1.00 0.00 C ATOM 736 C GLY A 51 -5.130 -10.990 -3.066 1.00 0.00 C ATOM 737 O GLY A 51 -4.264 -11.536 -2.413 1.00 0.00 O ATOM 0 H GLY A 51 -7.631 -11.094 -5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.999 -12.063 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.708 -12.739 -4.194 1.00 0.00 H new ATOM 741 N THR A 52 -5.222 -9.690 -3.113 1.00 0.00 N ATOM 742 CA THR A 52 -4.255 -8.848 -2.354 1.00 0.00 C ATOM 743 C THR A 52 -4.988 -8.183 -1.189 1.00 0.00 C ATOM 744 O THR A 52 -6.155 -7.859 -1.285 1.00 0.00 O ATOM 745 CB THR A 52 -3.672 -7.772 -3.276 1.00 0.00 C ATOM 746 OG1 THR A 52 -2.748 -8.371 -4.174 1.00 0.00 O ATOM 747 CG2 THR A 52 -2.957 -6.710 -2.436 1.00 0.00 C ATOM 0 H THR A 52 -5.924 -9.174 -3.644 1.00 0.00 H new ATOM 0 HA THR A 52 -3.443 -9.469 -1.975 1.00 0.00 H new ATOM 0 HB THR A 52 -4.476 -7.302 -3.842 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.375 -7.685 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.543 -5.945 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.667 -6.252 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.152 -7.176 -1.869 1.00 0.00 H new ATOM 755 N GLU A 53 -4.320 -7.978 -0.089 1.00 0.00 N ATOM 756 CA GLU A 53 -4.995 -7.337 1.069 1.00 0.00 C ATOM 757 C GLU A 53 -4.643 -5.849 1.103 1.00 0.00 C ATOM 758 O GLU A 53 -3.518 -5.475 1.372 1.00 0.00 O ATOM 759 CB GLU A 53 -4.538 -8.010 2.365 1.00 0.00 C ATOM 760 CG GLU A 53 -3.034 -7.814 2.545 1.00 0.00 C ATOM 761 CD GLU A 53 -2.780 -6.914 3.754 1.00 0.00 C ATOM 762 OE1 GLU A 53 -3.692 -6.202 4.139 1.00 0.00 O ATOM 763 OE2 GLU A 53 -1.678 -6.954 4.276 1.00 0.00 O ATOM 0 H GLU A 53 -3.341 -8.226 0.057 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.075 -7.449 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.074 -7.586 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.775 -9.074 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.545 -8.778 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.605 -7.367 1.648 1.00 0.00 H new ATOM 770 N ILE A 54 -5.592 -4.995 0.830 1.00 0.00 N ATOM 771 CA ILE A 54 -5.294 -3.537 0.848 1.00 0.00 C ATOM 772 C ILE A 54 -5.793 -2.931 2.160 1.00 0.00 C ATOM 773 O ILE A 54 -6.468 -3.573 2.940 1.00 0.00 O ATOM 774 CB ILE A 54 -5.963 -2.846 -0.357 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.090 -1.673 -0.810 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.351 -2.323 0.010 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.547 -1.200 -2.192 1.00 0.00 C ATOM 0 H ILE A 54 -6.554 -5.243 0.597 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.217 -3.385 0.776 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.069 -3.576 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.160 -0.855 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.044 -1.977 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.799 -1.841 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.980 -3.154 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.265 -1.601 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.925 -0.365 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.454 -2.018 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.588 -0.879 -2.141 1.00 0.00 H new ATOM 789 N LYS A 55 -5.462 -1.698 2.404 1.00 0.00 N ATOM 790 CA LYS A 55 -5.907 -1.039 3.657 1.00 0.00 C ATOM 791 C LYS A 55 -6.032 0.464 3.391 1.00 0.00 C ATOM 792 O LYS A 55 -5.617 0.955 2.355 1.00 0.00 O ATOM 793 CB LYS A 55 -4.881 -1.361 4.773 1.00 0.00 C ATOM 794 CG LYS A 55 -4.362 -0.102 5.494 1.00 0.00 C ATOM 795 CD LYS A 55 -5.274 0.229 6.676 1.00 0.00 C ATOM 796 CE LYS A 55 -4.598 -0.203 7.978 1.00 0.00 C ATOM 797 NZ LYS A 55 -4.700 0.895 8.981 1.00 0.00 N ATOM 0 H LYS A 55 -4.899 -1.115 1.785 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.880 -1.403 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.343 -2.027 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.038 -1.899 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.343 -0.266 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.330 0.738 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.483 1.299 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.231 -0.280 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.071 -1.106 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.551 -0.445 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.764 0.488 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.857 1.501 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.550 1.463 8.789 1.00 0.00 H new ATOM 811 N CYS A 56 -6.588 1.195 4.316 1.00 0.00 N ATOM 812 CA CYS A 56 -6.735 2.667 4.112 1.00 0.00 C ATOM 813 C CYS A 56 -5.600 3.364 4.854 1.00 0.00 C ATOM 814 O CYS A 56 -5.543 3.370 6.068 1.00 0.00 O ATOM 815 CB CYS A 56 -8.085 3.182 4.652 1.00 0.00 C ATOM 816 SG CYS A 56 -9.122 1.822 5.266 1.00 0.00 S ATOM 0 H CYS A 56 -6.947 0.840 5.203 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.700 2.881 3.044 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.907 3.896 5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.614 3.716 3.862 1.00 0.00 H new ATOM 821 N CYS A 57 -4.678 3.927 4.127 1.00 0.00 N ATOM 822 CA CYS A 57 -3.522 4.598 4.776 1.00 0.00 C ATOM 823 C CYS A 57 -3.439 6.060 4.338 1.00 0.00 C ATOM 824 O CYS A 57 -3.795 6.422 3.233 1.00 0.00 O ATOM 825 CB CYS A 57 -2.246 3.869 4.354 1.00 0.00 C ATOM 826 SG CYS A 57 -0.805 4.645 5.123 1.00 0.00 S ATOM 0 H CYS A 57 -4.676 3.951 3.107 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.642 4.568 5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.303 2.820 4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.146 3.893 3.269 1.00 0.00 H new ATOM 831 N SER A 58 -2.968 6.909 5.198 1.00 0.00 N ATOM 832 CA SER A 58 -2.852 8.339 4.819 1.00 0.00 C ATOM 833 C SER A 58 -1.542 8.916 5.340 1.00 0.00 C ATOM 834 O SER A 58 -1.180 10.035 5.035 1.00 0.00 O ATOM 835 CB SER A 58 -4.029 9.129 5.390 1.00 0.00 C ATOM 836 OG SER A 58 -4.114 10.386 4.732 1.00 0.00 O ATOM 0 H SER A 58 -2.659 6.678 6.142 1.00 0.00 H new ATOM 0 HA SER A 58 -2.865 8.415 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.956 8.571 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.898 9.275 6.462 1.00 0.00 H new ATOM 0 HG SER A 58 -3.443 10.428 4.019 1.00 0.00 H new ATOM 842 N ALA A 59 -0.821 8.167 6.118 1.00 0.00 N ATOM 843 CA ALA A 59 0.470 8.685 6.645 1.00 0.00 C ATOM 844 C ALA A 59 1.292 7.518 7.190 1.00 0.00 C ATOM 845 O ALA A 59 1.690 6.631 6.461 1.00 0.00 O ATOM 846 CB ALA A 59 0.188 9.704 7.749 1.00 0.00 C ATOM 0 H ALA A 59 -1.066 7.222 6.412 1.00 0.00 H new ATOM 0 HA ALA A 59 1.034 9.173 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.131 10.088 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.398 10.528 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.370 9.224 8.553 1.00 0.00 H new ATOM 852 N ASP A 60 1.517 7.489 8.478 1.00 0.00 N ATOM 853 CA ASP A 60 2.270 6.363 9.078 1.00 0.00 C ATOM 854 C ASP A 60 1.242 5.391 9.632 1.00 0.00 C ATOM 855 O ASP A 60 1.444 4.743 10.640 1.00 0.00 O ATOM 856 CB ASP A 60 3.170 6.876 10.204 1.00 0.00 C ATOM 857 CG ASP A 60 4.033 5.728 10.730 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.182 4.749 10.016 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.534 5.848 11.836 1.00 0.00 O ATOM 0 H ASP A 60 1.208 8.203 9.138 1.00 0.00 H new ATOM 0 HA ASP A 60 2.905 5.878 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.804 7.684 9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.563 7.288 11.010 1.00 0.00 H new ATOM 864 N LYS A 61 0.127 5.303 8.964 1.00 0.00 N ATOM 865 CA LYS A 61 -0.952 4.397 9.411 1.00 0.00 C ATOM 866 C LYS A 61 -1.043 3.215 8.450 1.00 0.00 C ATOM 867 O LYS A 61 -1.863 2.331 8.607 1.00 0.00 O ATOM 868 CB LYS A 61 -2.281 5.156 9.422 1.00 0.00 C ATOM 869 CG LYS A 61 -3.438 4.164 9.551 1.00 0.00 C ATOM 870 CD LYS A 61 -4.666 4.880 10.114 1.00 0.00 C ATOM 871 CE LYS A 61 -5.459 3.916 10.998 1.00 0.00 C ATOM 872 NZ LYS A 61 -6.628 4.627 11.586 1.00 0.00 N ATOM 0 H LYS A 61 -0.080 5.830 8.116 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.737 4.034 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.301 5.863 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.387 5.737 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.671 3.732 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.153 3.340 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.359 5.751 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.293 5.243 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.797 3.062 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.821 3.525 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.167 3.971 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.295 5.428 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.240 4.979 10.823 1.00 0.00 H new ATOM 886 N CYS A 62 -0.205 3.192 7.451 1.00 0.00 N ATOM 887 CA CYS A 62 -0.238 2.071 6.476 1.00 0.00 C ATOM 888 C CYS A 62 -0.180 0.741 7.231 1.00 0.00 C ATOM 889 O CYS A 62 -0.953 -0.163 6.978 1.00 0.00 O ATOM 890 CB CYS A 62 0.964 2.178 5.534 1.00 0.00 C ATOM 891 SG CYS A 62 0.760 3.585 4.402 1.00 0.00 S ATOM 0 H CYS A 62 0.502 3.904 7.269 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.159 2.120 5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.879 2.300 6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.069 1.256 4.963 1.00 0.00 H new ATOM 896 N ASN A 63 0.730 0.615 8.159 1.00 0.00 N ATOM 897 CA ASN A 63 0.839 -0.652 8.930 1.00 0.00 C ATOM 898 C ASN A 63 0.523 -0.382 10.403 1.00 0.00 C ATOM 899 O ASN A 63 1.397 -0.072 11.187 1.00 0.00 O ATOM 900 CB ASN A 63 2.260 -1.204 8.806 1.00 0.00 C ATOM 901 CG ASN A 63 3.267 -0.097 9.127 1.00 0.00 C ATOM 902 OD1 ASN A 63 3.639 0.671 8.262 1.00 0.00 O ATOM 903 ND2 ASN A 63 3.727 0.018 10.344 1.00 0.00 N ATOM 0 H ASN A 63 1.403 1.338 8.415 1.00 0.00 H new ATOM 0 HA ASN A 63 0.131 -1.380 8.534 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.396 -2.043 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.428 -1.582 7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.398 0.752 10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.415 -0.627 11.070 1.00 0.00 H new ATOM 910 N THR A 64 -0.719 -0.499 10.787 1.00 0.00 N ATOM 911 CA THR A 64 -1.083 -0.250 12.211 1.00 0.00 C ATOM 912 C THR A 64 -2.340 -1.043 12.572 1.00 0.00 C ATOM 913 O THR A 64 -3.174 -1.311 11.731 1.00 0.00 O ATOM 914 CB THR A 64 -1.341 1.238 12.417 1.00 0.00 C ATOM 915 OG1 THR A 64 -1.165 1.927 11.188 1.00 0.00 O ATOM 916 CG2 THR A 64 -0.349 1.758 13.452 1.00 0.00 C ATOM 0 H THR A 64 -1.496 -0.756 10.178 1.00 0.00 H new ATOM 0 HA THR A 64 -0.262 -0.570 12.853 1.00 0.00 H new ATOM 0 HB THR A 64 -2.361 1.400 12.765 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.861 1.651 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.517 2.823 13.614 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.488 1.222 14.391 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.668 1.602 13.092 1.00 0.00 H new ATOM 924 N TYR A 65 -2.482 -1.403 13.822 1.00 0.00 N ATOM 925 CA TYR A 65 -3.682 -2.169 14.265 1.00 0.00 C ATOM 926 C TYR A 65 -4.102 -3.162 13.171 1.00 0.00 C ATOM 927 O TYR A 65 -5.056 -2.929 12.455 1.00 0.00 O ATOM 928 CB TYR A 65 -4.807 -1.173 14.551 1.00 0.00 C ATOM 929 CG TYR A 65 -6.150 -1.868 14.518 1.00 0.00 C ATOM 930 CD1 TYR A 65 -6.268 -3.189 14.971 1.00 0.00 C ATOM 931 CD2 TYR A 65 -7.279 -1.190 14.037 1.00 0.00 C ATOM 932 CE1 TYR A 65 -7.513 -3.832 14.942 1.00 0.00 C ATOM 933 CE2 TYR A 65 -8.523 -1.833 14.008 1.00 0.00 C ATOM 934 CZ TYR A 65 -8.641 -3.154 14.460 1.00 0.00 C ATOM 935 OH TYR A 65 -9.867 -3.787 14.431 1.00 0.00 O ATOM 0 H TYR A 65 -1.810 -1.196 14.561 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.458 -2.738 15.167 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.653 -0.712 15.527 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.787 -0.371 13.813 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.399 -3.712 15.343 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.189 -0.172 13.689 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.603 -4.850 15.291 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.392 -1.310 13.637 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.542 -3.176 14.070 1.00 0.00 H new ATOM 945 N PRO A 66 -3.372 -4.245 13.078 1.00 0.00 N ATOM 946 CA PRO A 66 -3.638 -5.298 12.085 1.00 0.00 C ATOM 947 C PRO A 66 -4.811 -6.174 12.537 1.00 0.00 C ATOM 948 O PRO A 66 -5.926 -5.891 12.134 1.00 0.00 O ATOM 949 CB PRO A 66 -2.335 -6.102 12.057 1.00 0.00 C ATOM 950 CG PRO A 66 -1.626 -5.831 13.405 1.00 0.00 C ATOM 951 CD PRO A 66 -2.213 -4.516 13.954 1.00 0.00 C ATOM 952 OXT PRO A 66 -4.571 -7.114 13.276 1.00 0.00 O ATOM 0 HA PRO A 66 -3.912 -4.906 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.538 -7.166 11.932 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.708 -5.796 11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.794 -6.651 14.103 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.548 -5.746 13.266 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.516 -4.619 14.996 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.484 -3.706 13.913 1.00 0.00 H new TER 960 PRO A 66