USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -20:sc= 0.199! USER MOD Set 2.1: A 17 THR OG1 : rot 113:sc= -2.09! USER MOD Set 2.2: A 34 TYR OH : rot 30:sc=-0.00375 USER MOD Single : A 1 MET CE :methyl -119:sc= -0.74 (180deg=-1.52) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0246 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= -0.0189 (180deg=-0.738) USER MOD Single : A 9 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.081 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.3!) USER MOD Single : A 38 ASN : amide:sc= -0.473 K(o=-0.47,f=-2.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 46 TYR OH : rot 0:sc= -1.91 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -18:sc= -0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.654 -1.687 4.536 1.00 0.00 N ATOM 2 CA MET A 1 15.925 -1.957 3.262 1.00 0.00 C ATOM 3 C MET A 1 15.008 -0.779 2.919 1.00 0.00 C ATOM 4 O MET A 1 15.028 0.245 3.575 1.00 0.00 O ATOM 5 CB MET A 1 15.100 -3.215 3.537 1.00 0.00 C ATOM 6 CG MET A 1 15.911 -4.453 3.148 1.00 0.00 C ATOM 7 SD MET A 1 14.942 -5.942 3.496 1.00 0.00 S ATOM 8 CE MET A 1 15.037 -5.858 5.301 1.00 0.00 C ATOM 0 H1 MET A 1 16.700 -2.559 5.101 1.00 0.00 H new ATOM 0 H2 MET A 1 17.618 -1.362 4.322 1.00 0.00 H new ATOM 0 H3 MET A 1 16.152 -0.952 5.074 1.00 0.00 H new ATOM 0 HA MET A 1 16.602 -2.090 2.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.829 -3.262 4.592 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.170 -3.184 2.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.170 -4.414 2.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.848 -4.477 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.535 -6.750 5.681 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.602 -4.973 5.595 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.031 -5.800 5.716 1.00 0.00 H new ATOM 20 N THR A 2 14.205 -0.921 1.895 1.00 0.00 N ATOM 21 CA THR A 2 13.281 0.186 1.502 1.00 0.00 C ATOM 22 C THR A 2 12.051 0.192 2.412 1.00 0.00 C ATOM 23 O THR A 2 11.584 -0.846 2.841 1.00 0.00 O ATOM 24 CB THR A 2 12.878 -0.122 0.059 1.00 0.00 C ATOM 25 OG1 THR A 2 14.045 -0.373 -0.713 1.00 0.00 O ATOM 26 CG2 THR A 2 12.122 1.070 -0.529 1.00 0.00 C ATOM 0 H THR A 2 14.149 -1.757 1.313 1.00 0.00 H new ATOM 0 HA THR A 2 13.750 1.166 1.592 1.00 0.00 H new ATOM 0 HB THR A 2 12.233 -1.001 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.171 -1.340 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.836 0.848 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.227 1.261 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.763 1.951 -0.513 1.00 0.00 H new ATOM 34 N THR A 3 11.527 1.354 2.709 1.00 0.00 N ATOM 35 CA THR A 3 10.335 1.440 3.587 1.00 0.00 C ATOM 36 C THR A 3 9.159 2.066 2.835 1.00 0.00 C ATOM 37 O THR A 3 8.989 3.271 2.829 1.00 0.00 O ATOM 38 CB THR A 3 10.761 2.330 4.755 1.00 0.00 C ATOM 39 OG1 THR A 3 12.050 1.936 5.203 1.00 0.00 O ATOM 40 CG2 THR A 3 9.756 2.189 5.898 1.00 0.00 C ATOM 0 H THR A 3 11.881 2.250 2.375 1.00 0.00 H new ATOM 0 HA THR A 3 10.005 0.457 3.924 1.00 0.00 H new ATOM 0 HB THR A 3 10.792 3.369 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.325 2.507 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.060 2.824 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.768 2.492 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.723 1.150 6.227 1.00 0.00 H new ATOM 48 N PHE A 4 8.346 1.256 2.207 1.00 0.00 N ATOM 49 CA PHE A 4 7.173 1.799 1.458 1.00 0.00 C ATOM 50 C PHE A 4 6.029 2.106 2.429 1.00 0.00 C ATOM 51 O PHE A 4 6.066 1.721 3.583 1.00 0.00 O ATOM 52 CB PHE A 4 6.768 0.688 0.489 1.00 0.00 C ATOM 53 CG PHE A 4 7.882 0.437 -0.498 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.976 1.209 -1.662 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.820 -0.572 -0.249 1.00 0.00 C ATOM 56 CE1 PHE A 4 9.007 0.970 -2.578 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.851 -0.810 -1.165 1.00 0.00 C ATOM 58 CZ PHE A 4 9.944 -0.039 -2.329 1.00 0.00 C ATOM 0 H PHE A 4 8.444 0.241 2.180 1.00 0.00 H new ATOM 0 HA PHE A 4 7.409 2.726 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.547 -0.225 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.858 0.969 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.253 1.989 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.748 -1.167 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.079 1.564 -3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.575 -1.589 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.740 -0.223 -3.036 1.00 0.00 H new ATOM 68 N LYS A 5 5.015 2.796 1.971 1.00 0.00 N ATOM 69 CA LYS A 5 3.865 3.131 2.865 1.00 0.00 C ATOM 70 C LYS A 5 2.554 3.137 2.069 1.00 0.00 C ATOM 71 O LYS A 5 2.364 3.945 1.179 1.00 0.00 O ATOM 72 CB LYS A 5 4.180 4.530 3.399 1.00 0.00 C ATOM 73 CG LYS A 5 3.086 4.972 4.373 1.00 0.00 C ATOM 74 CD LYS A 5 3.116 6.495 4.516 1.00 0.00 C ATOM 75 CE LYS A 5 1.696 7.016 4.755 1.00 0.00 C ATOM 76 NZ LYS A 5 1.593 8.246 3.921 1.00 0.00 N ATOM 0 H LYS A 5 4.934 3.142 1.015 1.00 0.00 H new ATOM 0 HA LYS A 5 3.739 2.405 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.147 4.528 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.251 5.237 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.110 4.649 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.237 4.502 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.763 6.780 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.533 6.947 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.950 6.277 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.529 7.238 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.945 8.920 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.533 8.680 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.229 7.997 2.979 1.00 0.00 H new ATOM 90 N LEU A 6 1.649 2.243 2.385 1.00 0.00 N ATOM 91 CA LEU A 6 0.348 2.194 1.650 1.00 0.00 C ATOM 92 C LEU A 6 -0.713 3.010 2.397 1.00 0.00 C ATOM 93 O LEU A 6 -0.959 2.794 3.569 1.00 0.00 O ATOM 94 CB LEU A 6 -0.042 0.708 1.612 1.00 0.00 C ATOM 95 CG LEU A 6 -1.420 0.538 0.949 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.303 0.783 -0.557 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.938 -0.882 1.195 1.00 0.00 C ATOM 0 H LEU A 6 1.756 1.545 3.121 1.00 0.00 H new ATOM 0 HA LEU A 6 0.428 2.616 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.708 0.142 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.065 0.304 2.624 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.115 1.258 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.281 0.662 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.940 1.796 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.604 0.067 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.914 -1.000 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.240 -1.603 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.029 -1.055 2.267 1.00 0.00 H new ATOM 109 N ILE A 7 -1.360 3.923 1.717 1.00 0.00 N ATOM 110 CA ILE A 7 -2.426 4.729 2.376 1.00 0.00 C ATOM 111 C ILE A 7 -3.685 3.853 2.502 1.00 0.00 C ATOM 112 O ILE A 7 -3.741 2.773 1.942 1.00 0.00 O ATOM 113 CB ILE A 7 -2.623 5.963 1.458 1.00 0.00 C ATOM 114 CG1 ILE A 7 -3.072 7.156 2.303 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.662 5.706 0.354 1.00 0.00 C ATOM 116 CD1 ILE A 7 -1.848 7.828 2.927 1.00 0.00 C ATOM 0 H ILE A 7 -1.194 4.143 0.735 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.183 5.062 3.385 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.668 6.170 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.616 7.870 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.756 6.825 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.765 6.598 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.335 4.872 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.623 5.465 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.167 8.678 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.323 7.112 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.180 8.173 2.138 1.00 0.00 H new ATOM 128 N ILE A 8 -4.680 4.293 3.226 1.00 0.00 N ATOM 129 CA ILE A 8 -5.911 3.460 3.372 1.00 0.00 C ATOM 130 C ILE A 8 -7.165 4.289 3.074 1.00 0.00 C ATOM 131 O ILE A 8 -7.938 4.597 3.962 1.00 0.00 O ATOM 132 CB ILE A 8 -5.905 2.985 4.830 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.619 2.202 5.115 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.110 2.076 5.079 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.508 1.928 6.616 1.00 0.00 C ATOM 0 H ILE A 8 -4.695 5.186 3.719 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.921 2.623 2.674 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.957 3.853 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.623 1.262 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.753 2.769 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.104 1.740 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.029 2.628 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.057 1.212 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.593 1.371 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.484 2.874 7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.368 1.344 6.944 1.00 0.00 H new ATOM 147 N ASN A 9 -7.380 4.635 1.828 1.00 0.00 N ATOM 148 CA ASN A 9 -8.596 5.426 1.474 1.00 0.00 C ATOM 149 C ASN A 9 -9.693 4.475 0.994 1.00 0.00 C ATOM 150 O ASN A 9 -10.324 4.692 -0.022 1.00 0.00 O ATOM 151 CB ASN A 9 -8.158 6.368 0.350 1.00 0.00 C ATOM 152 CG ASN A 9 -7.914 7.767 0.919 1.00 0.00 C ATOM 153 OD1 ASN A 9 -8.540 8.163 1.882 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.022 8.539 0.359 1.00 0.00 N ATOM 0 H ASN A 9 -6.768 4.404 1.045 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.996 5.985 2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.249 5.992 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.924 6.408 -0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.851 9.474 0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.496 8.207 -0.450 1.00 0.00 H new ATOM 161 N GLY A 10 -9.911 3.417 1.729 1.00 0.00 N ATOM 162 CA GLY A 10 -10.955 2.424 1.344 1.00 0.00 C ATOM 163 C GLY A 10 -12.250 2.717 2.097 1.00 0.00 C ATOM 164 O GLY A 10 -12.269 3.481 3.044 1.00 0.00 O ATOM 0 H GLY A 10 -9.406 3.197 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.131 2.466 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.612 1.415 1.572 1.00 0.00 H new ATOM 168 N LYS A 11 -13.330 2.107 1.683 1.00 0.00 N ATOM 169 CA LYS A 11 -14.635 2.335 2.372 1.00 0.00 C ATOM 170 C LYS A 11 -14.750 1.454 3.626 1.00 0.00 C ATOM 171 O LYS A 11 -15.768 1.456 4.293 1.00 0.00 O ATOM 172 CB LYS A 11 -15.695 1.942 1.342 1.00 0.00 C ATOM 173 CG LYS A 11 -17.065 2.454 1.792 1.00 0.00 C ATOM 174 CD LYS A 11 -17.888 2.856 0.566 1.00 0.00 C ATOM 175 CE LYS A 11 -19.341 3.101 0.980 1.00 0.00 C ATOM 176 NZ LYS A 11 -19.785 4.257 0.151 1.00 0.00 N ATOM 0 H LYS A 11 -13.365 1.459 0.896 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.746 3.366 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.442 2.360 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.721 0.858 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.587 1.681 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.945 3.308 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.471 3.757 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.842 2.071 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.958 2.222 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.416 3.325 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.774 4.487 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.183 5.081 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.708 4.011 -0.857 1.00 0.00 H new ATOM 190 N THR A 12 -13.721 0.701 3.957 1.00 0.00 N ATOM 191 CA THR A 12 -13.789 -0.172 5.166 1.00 0.00 C ATOM 192 C THR A 12 -12.742 0.260 6.198 1.00 0.00 C ATOM 193 O THR A 12 -12.941 0.109 7.389 1.00 0.00 O ATOM 194 CB THR A 12 -13.487 -1.580 4.652 1.00 0.00 C ATOM 195 OG1 THR A 12 -14.366 -1.889 3.579 1.00 0.00 O ATOM 196 CG2 THR A 12 -13.682 -2.593 5.781 1.00 0.00 C ATOM 0 H THR A 12 -12.843 0.658 3.440 1.00 0.00 H new ATOM 0 HA THR A 12 -14.759 -0.115 5.661 1.00 0.00 H new ATOM 0 HB THR A 12 -12.455 -1.625 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.173 -2.791 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.466 -3.596 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.007 -2.356 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.712 -2.551 6.134 1.00 0.00 H new ATOM 204 N LEU A 13 -11.629 0.792 5.752 1.00 0.00 N ATOM 205 CA LEU A 13 -10.570 1.229 6.712 1.00 0.00 C ATOM 206 C LEU A 13 -10.141 2.671 6.425 1.00 0.00 C ATOM 207 O LEU A 13 -10.539 3.262 5.439 1.00 0.00 O ATOM 208 CB LEU A 13 -9.404 0.269 6.478 1.00 0.00 C ATOM 209 CG LEU A 13 -9.722 -1.083 7.116 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.647 -2.097 6.723 1.00 0.00 C ATOM 211 CD2 LEU A 13 -9.748 -0.934 8.639 1.00 0.00 C ATOM 0 H LEU A 13 -11.410 0.942 4.767 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.921 1.207 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.229 0.147 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.489 0.679 6.906 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.695 -1.430 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.873 -3.062 7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.626 -2.203 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.675 -1.750 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.975 -1.898 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.775 -0.588 8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.513 -0.210 8.921 1.00 0.00 H new ATOM 223 N LYS A 14 -9.329 3.234 7.283 1.00 0.00 N ATOM 224 CA LYS A 14 -8.861 4.638 7.076 1.00 0.00 C ATOM 225 C LYS A 14 -7.520 4.852 7.787 1.00 0.00 C ATOM 226 O LYS A 14 -7.359 4.502 8.941 1.00 0.00 O ATOM 227 CB LYS A 14 -9.947 5.518 7.703 1.00 0.00 C ATOM 228 CG LYS A 14 -10.799 6.155 6.601 1.00 0.00 C ATOM 229 CD LYS A 14 -10.026 7.310 5.962 1.00 0.00 C ATOM 230 CE LYS A 14 -10.953 8.089 5.025 1.00 0.00 C ATOM 231 NZ LYS A 14 -11.433 9.244 5.834 1.00 0.00 N ATOM 0 H LYS A 14 -8.968 2.779 8.122 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.708 4.873 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.576 4.920 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.490 6.294 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.052 5.411 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.739 6.518 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.634 7.971 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.170 6.926 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.423 8.424 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.784 7.470 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.075 9.827 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.939 8.894 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.620 9.818 6.135 1.00 0.00 H new ATOM 245 N GLY A 15 -6.560 5.425 7.105 1.00 0.00 N ATOM 246 CA GLY A 15 -5.229 5.666 7.733 1.00 0.00 C ATOM 247 C GLY A 15 -4.118 5.250 6.767 1.00 0.00 C ATOM 248 O GLY A 15 -4.202 5.481 5.576 1.00 0.00 O ATOM 0 H GLY A 15 -6.643 5.737 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.124 6.720 7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.147 5.101 8.661 1.00 0.00 H new ATOM 252 N GLU A 16 -3.077 4.640 7.275 1.00 0.00 N ATOM 253 CA GLU A 16 -1.949 4.207 6.393 1.00 0.00 C ATOM 254 C GLU A 16 -1.306 2.927 6.937 1.00 0.00 C ATOM 255 O GLU A 16 -1.693 2.419 7.972 1.00 0.00 O ATOM 256 CB GLU A 16 -0.947 5.368 6.415 1.00 0.00 C ATOM 257 CG GLU A 16 -0.514 5.663 7.857 1.00 0.00 C ATOM 258 CD GLU A 16 0.976 6.014 7.886 1.00 0.00 C ATOM 259 OE1 GLU A 16 1.778 5.127 7.643 1.00 0.00 O ATOM 260 OE2 GLU A 16 1.288 7.163 8.152 1.00 0.00 O ATOM 0 H GLU A 16 -2.959 4.422 8.265 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.286 3.984 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.076 5.118 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.398 6.257 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.100 6.488 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.706 4.796 8.489 1.00 0.00 H new ATOM 267 N THR A 17 -0.325 2.406 6.243 1.00 0.00 N ATOM 268 CA THR A 17 0.354 1.159 6.709 1.00 0.00 C ATOM 269 C THR A 17 1.798 1.124 6.203 1.00 0.00 C ATOM 270 O THR A 17 2.056 1.304 5.027 1.00 0.00 O ATOM 271 CB THR A 17 -0.457 0.015 6.098 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.837 0.222 6.360 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.012 -1.314 6.712 1.00 0.00 C ATOM 0 H THR A 17 0.036 2.793 5.371 1.00 0.00 H new ATOM 0 HA THR A 17 0.397 1.093 7.796 1.00 0.00 H new ATOM 0 HB THR A 17 -0.292 -0.012 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.306 0.405 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.591 -2.128 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.047 -1.472 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.175 -1.290 7.789 1.00 0.00 H new ATOM 281 N THR A 18 2.739 0.895 7.084 1.00 0.00 N ATOM 282 CA THR A 18 4.172 0.847 6.663 1.00 0.00 C ATOM 283 C THR A 18 4.735 -0.564 6.858 1.00 0.00 C ATOM 284 O THR A 18 4.244 -1.331 7.665 1.00 0.00 O ATOM 285 CB THR A 18 4.888 1.841 7.579 1.00 0.00 C ATOM 286 OG1 THR A 18 4.575 1.544 8.933 1.00 0.00 O ATOM 287 CG2 THR A 18 4.433 3.263 7.248 1.00 0.00 C ATOM 0 H THR A 18 2.576 0.739 8.079 1.00 0.00 H new ATOM 0 HA THR A 18 4.301 1.097 5.610 1.00 0.00 H new ATOM 0 HB THR A 18 5.965 1.763 7.429 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.034 2.179 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.944 3.970 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.674 3.490 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.356 3.344 7.397 1.00 0.00 H new ATOM 295 N THR A 19 5.761 -0.907 6.123 1.00 0.00 N ATOM 296 CA THR A 19 6.365 -2.267 6.256 1.00 0.00 C ATOM 297 C THR A 19 7.788 -2.275 5.687 1.00 0.00 C ATOM 298 O THR A 19 8.123 -1.488 4.821 1.00 0.00 O ATOM 299 CB THR A 19 5.449 -3.197 5.450 1.00 0.00 C ATOM 300 OG1 THR A 19 5.957 -4.522 5.508 1.00 0.00 O ATOM 301 CG2 THR A 19 5.383 -2.740 3.988 1.00 0.00 C ATOM 0 H THR A 19 6.208 -0.302 5.434 1.00 0.00 H new ATOM 0 HA THR A 19 6.442 -2.582 7.297 1.00 0.00 H new ATOM 0 HB THR A 19 4.446 -3.165 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.718 -5.000 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.730 -3.408 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.989 -1.725 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.383 -2.762 3.555 1.00 0.00 H new ATOM 309 N GLU A 20 8.625 -3.157 6.171 1.00 0.00 N ATOM 310 CA GLU A 20 10.029 -3.222 5.666 1.00 0.00 C ATOM 311 C GLU A 20 10.108 -4.120 4.428 1.00 0.00 C ATOM 312 O GLU A 20 9.918 -5.319 4.508 1.00 0.00 O ATOM 313 CB GLU A 20 10.836 -3.823 6.818 1.00 0.00 C ATOM 314 CG GLU A 20 12.306 -3.426 6.673 1.00 0.00 C ATOM 315 CD GLU A 20 13.142 -4.172 7.715 1.00 0.00 C ATOM 316 OE1 GLU A 20 12.959 -5.372 7.844 1.00 0.00 O ATOM 317 OE2 GLU A 20 13.951 -3.532 8.366 1.00 0.00 O ATOM 0 H GLU A 20 8.395 -3.837 6.896 1.00 0.00 H new ATOM 0 HA GLU A 20 10.406 -2.243 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.445 -3.470 7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.740 -4.909 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.660 -3.663 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.418 -2.350 6.805 1.00 0.00 H new ATOM 324 N ALA A 21 10.388 -3.544 3.287 1.00 0.00 N ATOM 325 CA ALA A 21 10.482 -4.353 2.035 1.00 0.00 C ATOM 326 C ALA A 21 11.753 -3.984 1.266 1.00 0.00 C ATOM 327 O ALA A 21 12.199 -2.852 1.298 1.00 0.00 O ATOM 328 CB ALA A 21 9.239 -3.979 1.228 1.00 0.00 C ATOM 0 H ALA A 21 10.556 -2.545 3.168 1.00 0.00 H new ATOM 0 HA ALA A 21 10.530 -5.423 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.234 -4.534 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.345 -4.227 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.250 -2.910 1.017 1.00 0.00 H new ATOM 334 N VAL A 22 12.340 -4.932 0.580 1.00 0.00 N ATOM 335 CA VAL A 22 13.587 -4.640 -0.192 1.00 0.00 C ATOM 336 C VAL A 22 13.294 -3.633 -1.312 1.00 0.00 C ATOM 337 O VAL A 22 14.126 -2.813 -1.653 1.00 0.00 O ATOM 338 CB VAL A 22 14.041 -5.991 -0.765 1.00 0.00 C ATOM 339 CG1 VAL A 22 12.968 -6.559 -1.702 1.00 0.00 C ATOM 340 CG2 VAL A 22 15.345 -5.800 -1.543 1.00 0.00 C ATOM 0 H VAL A 22 12.010 -5.895 0.521 1.00 0.00 H new ATOM 0 HA VAL A 22 14.362 -4.195 0.432 1.00 0.00 H new ATOM 0 HB VAL A 22 14.199 -6.689 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.303 -7.516 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.040 -6.701 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.797 -5.863 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.669 -6.758 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.182 -5.095 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.114 -5.411 -0.875 1.00 0.00 H new ATOM 350 N ASP A 23 12.115 -3.689 -1.881 1.00 0.00 N ATOM 351 CA ASP A 23 11.758 -2.735 -2.978 1.00 0.00 C ATOM 352 C ASP A 23 10.269 -2.848 -3.319 1.00 0.00 C ATOM 353 O ASP A 23 9.536 -3.600 -2.704 1.00 0.00 O ATOM 354 CB ASP A 23 12.621 -3.137 -4.182 1.00 0.00 C ATOM 355 CG ASP A 23 12.427 -4.624 -4.520 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.416 -5.183 -4.127 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.299 -5.177 -5.170 1.00 0.00 O ATOM 0 H ASP A 23 11.383 -4.355 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 23 11.940 -1.701 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.357 -2.526 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.671 -2.943 -3.964 1.00 0.00 H new ATOM 362 N ALA A 24 9.818 -2.100 -4.296 1.00 0.00 N ATOM 363 CA ALA A 24 8.375 -2.143 -4.689 1.00 0.00 C ATOM 364 C ALA A 24 7.932 -3.579 -4.999 1.00 0.00 C ATOM 365 O ALA A 24 6.766 -3.911 -4.894 1.00 0.00 O ATOM 366 CB ALA A 24 8.274 -1.276 -5.945 1.00 0.00 C ATOM 0 H ALA A 24 10.392 -1.457 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 24 7.731 -1.784 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.241 -1.259 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.595 -0.261 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.913 -1.690 -6.725 1.00 0.00 H new ATOM 372 N ALA A 25 8.853 -4.429 -5.382 1.00 0.00 N ATOM 373 CA ALA A 25 8.487 -5.846 -5.704 1.00 0.00 C ATOM 374 C ALA A 25 7.850 -6.521 -4.485 1.00 0.00 C ATOM 375 O ALA A 25 6.833 -7.179 -4.592 1.00 0.00 O ATOM 376 CB ALA A 25 9.805 -6.532 -6.068 1.00 0.00 C ATOM 0 H ALA A 25 9.842 -4.204 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 25 7.762 -5.905 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.615 -7.576 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.251 -6.030 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.489 -6.479 -5.221 1.00 0.00 H new ATOM 382 N THR A 26 8.442 -6.356 -3.329 1.00 0.00 N ATOM 383 CA THR A 26 7.876 -6.981 -2.096 1.00 0.00 C ATOM 384 C THR A 26 6.890 -6.020 -1.421 1.00 0.00 C ATOM 385 O THR A 26 5.984 -6.439 -0.726 1.00 0.00 O ATOM 386 CB THR A 26 9.083 -7.234 -1.190 1.00 0.00 C ATOM 387 OG1 THR A 26 10.059 -7.981 -1.904 1.00 0.00 O ATOM 388 CG2 THR A 26 8.641 -8.018 0.047 1.00 0.00 C ATOM 0 H THR A 26 9.294 -5.814 -3.186 1.00 0.00 H new ATOM 0 HA THR A 26 7.329 -7.899 -2.312 1.00 0.00 H new ATOM 0 HB THR A 26 9.510 -6.281 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.669 -8.412 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.502 -8.197 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.892 -7.444 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.213 -8.972 -0.261 1.00 0.00 H new ATOM 396 N ALA A 27 7.063 -4.736 -1.622 1.00 0.00 N ATOM 397 CA ALA A 27 6.137 -3.741 -0.994 1.00 0.00 C ATOM 398 C ALA A 27 4.700 -3.986 -1.463 1.00 0.00 C ATOM 399 O ALA A 27 3.826 -4.293 -0.675 1.00 0.00 O ATOM 400 CB ALA A 27 6.630 -2.373 -1.470 1.00 0.00 C ATOM 0 H ALA A 27 7.806 -4.334 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 27 6.135 -3.814 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.998 -1.592 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.659 -2.223 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.585 -2.329 -2.558 1.00 0.00 H new ATOM 406 N GLU A 28 4.453 -3.857 -2.744 1.00 0.00 N ATOM 407 CA GLU A 28 3.071 -4.088 -3.274 1.00 0.00 C ATOM 408 C GLU A 28 2.630 -5.520 -2.975 1.00 0.00 C ATOM 409 O GLU A 28 1.484 -5.768 -2.671 1.00 0.00 O ATOM 410 CB GLU A 28 3.172 -3.862 -4.784 1.00 0.00 C ATOM 411 CG GLU A 28 1.769 -3.686 -5.367 1.00 0.00 C ATOM 412 CD GLU A 28 1.870 -3.063 -6.760 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.364 -1.951 -6.855 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.453 -3.707 -7.708 1.00 0.00 O ATOM 0 H GLU A 28 5.148 -3.602 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 28 2.339 -3.423 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.777 -2.979 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.671 -4.708 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.264 -4.650 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.170 -3.050 -4.715 1.00 0.00 H new ATOM 421 N LYS A 29 3.535 -6.462 -3.052 1.00 0.00 N ATOM 422 CA LYS A 29 3.168 -7.886 -2.764 1.00 0.00 C ATOM 423 C LYS A 29 2.604 -8.007 -1.344 1.00 0.00 C ATOM 424 O LYS A 29 1.683 -8.762 -1.093 1.00 0.00 O ATOM 425 CB LYS A 29 4.475 -8.669 -2.890 1.00 0.00 C ATOM 426 CG LYS A 29 4.179 -10.170 -2.917 1.00 0.00 C ATOM 427 CD LYS A 29 5.466 -10.940 -3.230 1.00 0.00 C ATOM 428 CE LYS A 29 6.072 -11.481 -1.932 1.00 0.00 C ATOM 429 NZ LYS A 29 6.599 -12.828 -2.286 1.00 0.00 N ATOM 0 H LYS A 29 4.512 -6.309 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 29 2.404 -8.261 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.999 -8.376 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.133 -8.434 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.776 -10.489 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.420 -10.388 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.252 -11.762 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.180 -10.286 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.866 -10.830 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.323 -11.545 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.031 -13.264 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.820 -13.428 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.315 -12.735 -3.034 1.00 0.00 H new ATOM 443 N VAL A 30 3.150 -7.259 -0.421 1.00 0.00 N ATOM 444 CA VAL A 30 2.656 -7.309 0.987 1.00 0.00 C ATOM 445 C VAL A 30 1.452 -6.374 1.148 1.00 0.00 C ATOM 446 O VAL A 30 0.450 -6.737 1.735 1.00 0.00 O ATOM 447 CB VAL A 30 3.839 -6.826 1.836 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.439 -6.781 3.314 1.00 0.00 C ATOM 449 CG2 VAL A 30 5.018 -7.787 1.661 1.00 0.00 C ATOM 0 H VAL A 30 3.922 -6.612 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 30 2.327 -8.305 1.283 1.00 0.00 H new ATOM 0 HB VAL A 30 4.126 -5.826 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.285 -6.437 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.601 -6.096 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.146 -7.778 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.859 -7.445 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.724 -8.786 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.312 -7.815 0.612 1.00 0.00 H new ATOM 459 N PHE A 31 1.549 -5.175 0.632 1.00 0.00 N ATOM 460 CA PHE A 31 0.415 -4.210 0.754 1.00 0.00 C ATOM 461 C PHE A 31 -0.791 -4.708 -0.045 1.00 0.00 C ATOM 462 O PHE A 31 -1.926 -4.506 0.345 1.00 0.00 O ATOM 463 CB PHE A 31 0.939 -2.891 0.183 1.00 0.00 C ATOM 464 CG PHE A 31 1.735 -2.164 1.243 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.165 -1.906 2.497 1.00 0.00 C ATOM 466 CD2 PHE A 31 3.043 -1.747 0.972 1.00 0.00 C ATOM 467 CE1 PHE A 31 1.903 -1.232 3.477 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.781 -1.073 1.953 1.00 0.00 C ATOM 469 CZ PHE A 31 3.211 -0.816 3.205 1.00 0.00 C ATOM 0 H PHE A 31 2.365 -4.823 0.131 1.00 0.00 H new ATOM 0 HA PHE A 31 0.084 -4.095 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.564 -3.083 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.107 -2.271 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.156 -2.227 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.484 -1.945 0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.463 -1.033 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.790 -0.751 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.781 -0.297 3.961 1.00 0.00 H new ATOM 479 N LYS A 32 -0.556 -5.365 -1.155 1.00 0.00 N ATOM 480 CA LYS A 32 -1.696 -5.886 -1.969 1.00 0.00 C ATOM 481 C LYS A 32 -2.419 -6.972 -1.175 1.00 0.00 C ATOM 482 O LYS A 32 -3.631 -6.978 -1.073 1.00 0.00 O ATOM 483 CB LYS A 32 -1.072 -6.469 -3.239 1.00 0.00 C ATOM 484 CG LYS A 32 -2.178 -6.969 -4.173 1.00 0.00 C ATOM 485 CD LYS A 32 -2.379 -8.473 -3.973 1.00 0.00 C ATOM 486 CE LYS A 32 -2.754 -9.122 -5.307 1.00 0.00 C ATOM 487 NZ LYS A 32 -2.221 -10.510 -5.222 1.00 0.00 N ATOM 0 H LYS A 32 0.372 -5.562 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.423 -5.111 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.472 -5.711 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.400 -7.288 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.108 -6.438 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.913 -6.762 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.467 -8.923 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.163 -8.651 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.834 -9.122 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.316 -8.581 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.439 -11.020 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.190 -10.478 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.661 -11.002 -4.418 1.00 0.00 H new ATOM 501 N GLN A 33 -1.675 -7.881 -0.590 1.00 0.00 N ATOM 502 CA GLN A 33 -2.308 -8.962 0.228 1.00 0.00 C ATOM 503 C GLN A 33 -3.069 -8.335 1.395 1.00 0.00 C ATOM 504 O GLN A 33 -4.078 -8.844 1.846 1.00 0.00 O ATOM 505 CB GLN A 33 -1.148 -9.823 0.734 1.00 0.00 C ATOM 506 CG GLN A 33 -1.698 -11.092 1.387 1.00 0.00 C ATOM 507 CD GLN A 33 -2.257 -12.022 0.308 1.00 0.00 C ATOM 508 OE1 GLN A 33 -1.682 -12.152 -0.755 1.00 0.00 O ATOM 509 NE2 GLN A 33 -3.361 -12.677 0.538 1.00 0.00 N ATOM 0 H GLN A 33 -0.657 -7.920 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.020 -9.557 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.488 -10.084 -0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.551 -9.261 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.910 -11.598 1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.480 -10.836 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.843 -12.567 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.743 -13.299 -0.174 1.00 0.00 H new ATOM 518 N TYR A 34 -2.590 -7.219 1.864 1.00 0.00 N ATOM 519 CA TYR A 34 -3.269 -6.507 2.987 1.00 0.00 C ATOM 520 C TYR A 34 -4.604 -5.942 2.474 1.00 0.00 C ATOM 521 O TYR A 34 -5.656 -6.222 3.017 1.00 0.00 O ATOM 522 CB TYR A 34 -2.271 -5.397 3.399 1.00 0.00 C ATOM 523 CG TYR A 34 -2.971 -4.242 4.088 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.264 -4.317 5.452 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.323 -3.104 3.354 1.00 0.00 C ATOM 526 CE1 TYR A 34 -3.912 -3.249 6.086 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.970 -2.037 3.985 1.00 0.00 C ATOM 528 CZ TYR A 34 -4.265 -2.109 5.352 1.00 0.00 C ATOM 529 OH TYR A 34 -4.905 -1.057 5.976 1.00 0.00 O ATOM 0 H TYR A 34 -1.747 -6.762 1.515 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.510 -7.140 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.516 -5.815 4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.748 -5.031 2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.991 -5.197 6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.095 -3.050 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.139 -3.304 7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.242 -1.158 3.419 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.630 -1.018 6.916 1.00 0.00 H new ATOM 539 N ALA A 35 -4.557 -5.154 1.430 1.00 0.00 N ATOM 540 CA ALA A 35 -5.814 -4.571 0.872 1.00 0.00 C ATOM 541 C ALA A 35 -6.725 -5.692 0.365 1.00 0.00 C ATOM 542 O ALA A 35 -7.929 -5.641 0.521 1.00 0.00 O ATOM 543 CB ALA A 35 -5.368 -3.676 -0.286 1.00 0.00 C ATOM 0 H ALA A 35 -3.702 -4.889 0.940 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.376 -4.009 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.241 -3.213 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.701 -2.900 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.843 -4.277 -1.029 1.00 0.00 H new ATOM 549 N ASN A 36 -6.155 -6.704 -0.241 1.00 0.00 N ATOM 550 CA ASN A 36 -6.977 -7.836 -0.762 1.00 0.00 C ATOM 551 C ASN A 36 -7.768 -8.489 0.377 1.00 0.00 C ATOM 552 O ASN A 36 -8.877 -8.951 0.188 1.00 0.00 O ATOM 553 CB ASN A 36 -5.974 -8.830 -1.353 1.00 0.00 C ATOM 554 CG ASN A 36 -6.728 -9.959 -2.058 1.00 0.00 C ATOM 555 OD1 ASN A 36 -7.862 -10.247 -1.730 1.00 0.00 O ATOM 556 ND2 ASN A 36 -6.142 -10.616 -3.022 1.00 0.00 N ATOM 0 H ASN A 36 -5.151 -6.794 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.702 -7.503 -1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.316 -8.323 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.342 -9.238 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.636 -11.370 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.190 -10.375 -3.298 1.00 0.00 H new ATOM 563 N ASP A 37 -7.200 -8.526 1.556 1.00 0.00 N ATOM 564 CA ASP A 37 -7.908 -9.145 2.717 1.00 0.00 C ATOM 565 C ASP A 37 -8.963 -8.181 3.266 1.00 0.00 C ATOM 566 O ASP A 37 -10.097 -8.556 3.498 1.00 0.00 O ATOM 567 CB ASP A 37 -6.819 -9.400 3.761 1.00 0.00 C ATOM 568 CG ASP A 37 -7.401 -10.212 4.920 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.366 -11.429 4.841 1.00 0.00 O ATOM 570 OD2 ASP A 37 -7.871 -9.603 5.867 1.00 0.00 O ATOM 0 H ASP A 37 -6.274 -8.153 1.765 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.427 -10.063 2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.986 -9.938 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.425 -8.453 4.129 1.00 0.00 H new ATOM 575 N ASN A 38 -8.595 -6.941 3.471 1.00 0.00 N ATOM 576 CA ASN A 38 -9.574 -5.943 4.003 1.00 0.00 C ATOM 577 C ASN A 38 -10.632 -5.628 2.943 1.00 0.00 C ATOM 578 O ASN A 38 -11.808 -5.526 3.238 1.00 0.00 O ATOM 579 CB ASN A 38 -8.744 -4.698 4.325 1.00 0.00 C ATOM 580 CG ASN A 38 -7.798 -5.003 5.488 1.00 0.00 C ATOM 581 OD1 ASN A 38 -8.225 -5.116 6.619 1.00 0.00 O ATOM 582 ND2 ASN A 38 -6.522 -5.144 5.255 1.00 0.00 N ATOM 0 H ASN A 38 -7.659 -6.576 3.293 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.104 -6.312 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.173 -4.392 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.400 -3.867 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.883 -5.349 6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.164 -5.049 4.305 1.00 0.00 H new ATOM 589 N GLY A 39 -10.219 -5.476 1.710 1.00 0.00 N ATOM 590 CA GLY A 39 -11.192 -5.170 0.619 1.00 0.00 C ATOM 591 C GLY A 39 -10.918 -3.771 0.063 1.00 0.00 C ATOM 592 O GLY A 39 -11.754 -2.890 0.145 1.00 0.00 O ATOM 0 H GLY A 39 -9.246 -5.551 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.107 -5.911 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.211 -5.227 1.001 1.00 0.00 H new ATOM 596 N ILE A 40 -9.755 -3.562 -0.503 1.00 0.00 N ATOM 597 CA ILE A 40 -9.426 -2.219 -1.069 1.00 0.00 C ATOM 598 C ILE A 40 -8.951 -2.352 -2.520 1.00 0.00 C ATOM 599 O ILE A 40 -7.767 -2.334 -2.799 1.00 0.00 O ATOM 600 CB ILE A 40 -8.311 -1.667 -0.172 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.856 -1.506 1.252 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.842 -0.301 -0.698 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.734 -1.064 2.195 1.00 0.00 C ATOM 0 H ILE A 40 -9.020 -4.263 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.291 -1.556 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.466 -2.356 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.661 -0.771 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.281 -2.449 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.050 0.084 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.463 -0.413 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.680 0.396 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.130 -0.952 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.943 -1.814 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.329 -0.110 1.856 1.00 0.00 H new ATOM 615 N ASP A 41 -9.873 -2.463 -3.441 1.00 0.00 N ATOM 616 CA ASP A 41 -9.494 -2.572 -4.880 1.00 0.00 C ATOM 617 C ASP A 41 -9.631 -1.197 -5.536 1.00 0.00 C ATOM 618 O ASP A 41 -10.054 -1.072 -6.670 1.00 0.00 O ATOM 619 CB ASP A 41 -10.490 -3.563 -5.484 1.00 0.00 C ATOM 620 CG ASP A 41 -9.865 -4.235 -6.708 1.00 0.00 C ATOM 621 OD1 ASP A 41 -8.738 -4.688 -6.599 1.00 0.00 O ATOM 622 OD2 ASP A 41 -10.525 -4.286 -7.733 1.00 0.00 O ATOM 0 H ASP A 41 -10.876 -2.483 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.467 -2.907 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.765 -4.315 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.406 -3.046 -5.768 1.00 0.00 H new ATOM 627 N GLY A 42 -9.282 -0.163 -4.813 1.00 0.00 N ATOM 628 CA GLY A 42 -9.391 1.219 -5.354 1.00 0.00 C ATOM 629 C GLY A 42 -8.433 1.399 -6.527 1.00 0.00 C ATOM 630 O GLY A 42 -8.255 0.514 -7.342 1.00 0.00 O ATOM 0 H GLY A 42 -8.922 -0.222 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.414 1.412 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.161 1.943 -4.572 1.00 0.00 H new ATOM 634 N GLU A 43 -7.806 2.543 -6.604 1.00 0.00 N ATOM 635 CA GLU A 43 -6.846 2.807 -7.698 1.00 0.00 C ATOM 636 C GLU A 43 -5.453 2.958 -7.101 1.00 0.00 C ATOM 637 O GLU A 43 -5.174 3.902 -6.384 1.00 0.00 O ATOM 638 CB GLU A 43 -7.315 4.109 -8.348 1.00 0.00 C ATOM 639 CG GLU A 43 -8.678 3.884 -9.006 1.00 0.00 C ATOM 640 CD GLU A 43 -8.829 4.823 -10.204 1.00 0.00 C ATOM 641 OE1 GLU A 43 -7.871 4.965 -10.946 1.00 0.00 O ATOM 642 OE2 GLU A 43 -9.901 5.385 -10.359 1.00 0.00 O ATOM 0 H GLU A 43 -7.925 3.311 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.803 2.003 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.386 4.898 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.590 4.440 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.771 2.847 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.476 4.066 -8.286 1.00 0.00 H new ATOM 649 N TRP A 44 -4.595 2.013 -7.358 1.00 0.00 N ATOM 650 CA TRP A 44 -3.234 2.064 -6.775 1.00 0.00 C ATOM 651 C TRP A 44 -2.325 3.040 -7.510 1.00 0.00 C ATOM 652 O TRP A 44 -2.360 3.174 -8.718 1.00 0.00 O ATOM 653 CB TRP A 44 -2.701 0.641 -6.876 1.00 0.00 C ATOM 654 CG TRP A 44 -3.325 -0.156 -5.784 1.00 0.00 C ATOM 655 CD1 TRP A 44 -4.626 -0.520 -5.741 1.00 0.00 C ATOM 656 CD2 TRP A 44 -2.712 -0.665 -4.568 1.00 0.00 C ATOM 657 NE1 TRP A 44 -4.851 -1.224 -4.574 1.00 0.00 N ATOM 658 CE2 TRP A 44 -3.701 -1.339 -3.818 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.406 -0.610 -4.049 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.408 -1.933 -2.594 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.107 -1.211 -2.817 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.107 -1.870 -2.089 1.00 0.00 C ATOM 0 H TRP A 44 -4.782 1.204 -7.951 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.265 2.422 -5.746 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.941 0.211 -7.848 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.615 0.632 -6.783 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.367 -0.297 -6.494 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.755 -1.611 -4.304 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.629 -0.102 -4.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.182 -2.440 -2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.101 -1.166 -2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.872 -2.328 -1.140 1.00 0.00 H new ATOM 673 N THR A 45 -1.495 3.704 -6.762 1.00 0.00 N ATOM 674 CA THR A 45 -0.532 4.673 -7.342 1.00 0.00 C ATOM 675 C THR A 45 0.661 4.775 -6.400 1.00 0.00 C ATOM 676 O THR A 45 0.501 4.903 -5.199 1.00 0.00 O ATOM 677 CB THR A 45 -1.274 6.006 -7.425 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.026 6.204 -6.237 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.212 5.997 -8.632 1.00 0.00 C ATOM 0 H THR A 45 -1.443 3.613 -5.747 1.00 0.00 H new ATOM 0 HA THR A 45 -0.170 4.378 -8.327 1.00 0.00 H new ATOM 0 HB THR A 45 -0.553 6.816 -7.536 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.501 7.060 -6.289 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.740 6.949 -8.689 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.632 5.849 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.934 5.187 -8.526 1.00 0.00 H new ATOM 687 N TYR A 46 1.848 4.693 -6.925 1.00 0.00 N ATOM 688 CA TYR A 46 3.056 4.754 -6.055 1.00 0.00 C ATOM 689 C TYR A 46 3.744 6.121 -6.203 1.00 0.00 C ATOM 690 O TYR A 46 3.790 6.694 -7.275 1.00 0.00 O ATOM 691 CB TYR A 46 3.934 3.593 -6.568 1.00 0.00 C ATOM 692 CG TYR A 46 5.380 3.744 -6.135 1.00 0.00 C ATOM 693 CD1 TYR A 46 6.261 4.503 -6.914 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.840 3.117 -4.970 1.00 0.00 C ATOM 695 CE1 TYR A 46 7.599 4.637 -6.529 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.176 3.249 -4.588 1.00 0.00 C ATOM 697 CZ TYR A 46 8.058 4.010 -5.366 1.00 0.00 C ATOM 698 OH TYR A 46 9.379 4.139 -4.991 1.00 0.00 O ATOM 0 H TYR A 46 2.037 4.586 -7.922 1.00 0.00 H new ATOM 0 HA TYR A 46 2.840 4.653 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.540 2.648 -6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.883 3.552 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.907 4.986 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.161 2.532 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.278 5.225 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.530 2.763 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 46 9.852 4.696 -5.644 1.00 0.00 H new ATOM 708 N ASP A 47 4.283 6.631 -5.126 1.00 0.00 N ATOM 709 CA ASP A 47 4.979 7.949 -5.177 1.00 0.00 C ATOM 710 C ASP A 47 6.482 7.751 -4.958 1.00 0.00 C ATOM 711 O ASP A 47 6.921 7.440 -3.866 1.00 0.00 O ATOM 712 CB ASP A 47 4.371 8.763 -4.034 1.00 0.00 C ATOM 713 CG ASP A 47 2.985 9.267 -4.445 1.00 0.00 C ATOM 714 OD1 ASP A 47 2.225 8.478 -4.983 1.00 0.00 O ATOM 715 OD2 ASP A 47 2.708 10.432 -4.214 1.00 0.00 O ATOM 0 H ASP A 47 4.270 6.187 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 47 4.857 8.449 -6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.295 8.149 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.018 9.605 -3.789 1.00 0.00 H new ATOM 720 N ASP A 48 7.268 7.924 -5.990 1.00 0.00 N ATOM 721 CA ASP A 48 8.747 7.743 -5.852 1.00 0.00 C ATOM 722 C ASP A 48 9.344 8.838 -4.961 1.00 0.00 C ATOM 723 O ASP A 48 10.404 8.668 -4.388 1.00 0.00 O ATOM 724 CB ASP A 48 9.300 7.852 -7.275 1.00 0.00 C ATOM 725 CG ASP A 48 10.782 7.469 -7.280 1.00 0.00 C ATOM 726 OD1 ASP A 48 11.069 6.295 -7.450 1.00 0.00 O ATOM 727 OD2 ASP A 48 11.603 8.355 -7.114 1.00 0.00 O ATOM 0 H ASP A 48 6.950 8.183 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 48 8.997 6.789 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.742 7.197 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.175 8.869 -7.648 1.00 0.00 H new ATOM 732 N ALA A 49 8.677 9.962 -4.842 1.00 0.00 N ATOM 733 CA ALA A 49 9.207 11.075 -3.994 1.00 0.00 C ATOM 734 C ALA A 49 9.505 10.582 -2.573 1.00 0.00 C ATOM 735 O ALA A 49 10.473 10.989 -1.957 1.00 0.00 O ATOM 736 CB ALA A 49 8.097 12.128 -3.967 1.00 0.00 C ATOM 0 H ALA A 49 7.785 10.156 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 49 10.140 11.473 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.415 12.977 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.890 12.464 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.194 11.694 -3.537 1.00 0.00 H new ATOM 742 N THR A 50 8.681 9.708 -2.053 1.00 0.00 N ATOM 743 CA THR A 50 8.910 9.185 -0.673 1.00 0.00 C ATOM 744 C THR A 50 8.423 7.735 -0.553 1.00 0.00 C ATOM 745 O THR A 50 8.200 7.240 0.535 1.00 0.00 O ATOM 746 CB THR A 50 8.091 10.101 0.236 1.00 0.00 C ATOM 747 OG1 THR A 50 6.728 10.066 -0.165 1.00 0.00 O ATOM 748 CG2 THR A 50 8.619 11.533 0.130 1.00 0.00 C ATOM 0 H THR A 50 7.858 9.334 -2.526 1.00 0.00 H new ATOM 0 HA THR A 50 9.968 9.180 -0.409 1.00 0.00 H new ATOM 0 HB THR A 50 8.176 9.761 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.200 10.651 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.034 12.185 0.779 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.665 11.559 0.437 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.535 11.876 -0.901 1.00 0.00 H new ATOM 756 N LYS A 51 8.258 7.047 -1.661 1.00 0.00 N ATOM 757 CA LYS A 51 7.788 5.621 -1.618 1.00 0.00 C ATOM 758 C LYS A 51 6.515 5.490 -0.772 1.00 0.00 C ATOM 759 O LYS A 51 6.577 5.351 0.435 1.00 0.00 O ATOM 760 CB LYS A 51 8.942 4.837 -0.977 1.00 0.00 C ATOM 761 CG LYS A 51 9.636 3.982 -2.039 1.00 0.00 C ATOM 762 CD LYS A 51 10.844 4.742 -2.598 1.00 0.00 C ATOM 763 CE LYS A 51 11.982 4.744 -1.568 1.00 0.00 C ATOM 764 NZ LYS A 51 12.300 6.182 -1.340 1.00 0.00 N ATOM 0 H LYS A 51 8.429 7.413 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 51 7.540 5.248 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.657 5.526 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.563 4.202 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.958 3.035 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.939 3.744 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.181 4.276 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.560 5.766 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.676 4.257 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.852 4.203 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.070 6.261 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.595 6.619 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.456 6.671 -0.978 1.00 0.00 H new ATOM 778 N THR A 52 5.366 5.532 -1.399 1.00 0.00 N ATOM 779 CA THR A 52 4.092 5.409 -0.631 1.00 0.00 C ATOM 780 C THR A 52 2.945 4.970 -1.547 1.00 0.00 C ATOM 781 O THR A 52 2.371 5.773 -2.260 1.00 0.00 O ATOM 782 CB THR A 52 3.829 6.814 -0.082 1.00 0.00 C ATOM 783 OG1 THR A 52 4.944 7.234 0.692 1.00 0.00 O ATOM 784 CG2 THR A 52 2.573 6.798 0.792 1.00 0.00 C ATOM 0 H THR A 52 5.256 5.646 -2.407 1.00 0.00 H new ATOM 0 HA THR A 52 4.162 4.661 0.159 1.00 0.00 H new ATOM 0 HB THR A 52 3.680 7.506 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.469 6.451 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.388 7.799 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.719 6.477 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.716 6.106 1.622 1.00 0.00 H new ATOM 792 N PHE A 53 2.594 3.706 -1.519 1.00 0.00 N ATOM 793 CA PHE A 53 1.465 3.220 -2.375 1.00 0.00 C ATOM 794 C PHE A 53 0.178 3.938 -1.958 1.00 0.00 C ATOM 795 O PHE A 53 -0.049 4.172 -0.786 1.00 0.00 O ATOM 796 CB PHE A 53 1.355 1.718 -2.095 1.00 0.00 C ATOM 797 CG PHE A 53 2.562 1.003 -2.657 1.00 0.00 C ATOM 798 CD1 PHE A 53 3.703 0.823 -1.866 1.00 0.00 C ATOM 799 CD2 PHE A 53 2.537 0.514 -3.970 1.00 0.00 C ATOM 800 CE1 PHE A 53 4.819 0.157 -2.386 1.00 0.00 C ATOM 801 CE2 PHE A 53 3.654 -0.153 -4.490 1.00 0.00 C ATOM 802 CZ PHE A 53 4.794 -0.331 -3.698 1.00 0.00 C ATOM 0 H PHE A 53 3.039 2.992 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 53 1.629 3.413 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.284 1.543 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.444 1.321 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.722 1.198 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.657 0.651 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.699 0.020 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.635 -0.530 -5.502 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.655 -0.845 -4.099 1.00 0.00 H new ATOM 812 N THR A 54 -0.651 4.318 -2.899 1.00 0.00 N ATOM 813 CA THR A 54 -1.902 5.053 -2.521 1.00 0.00 C ATOM 814 C THR A 54 -3.157 4.479 -3.203 1.00 0.00 C ATOM 815 O THR A 54 -3.448 4.800 -4.340 1.00 0.00 O ATOM 816 CB THR A 54 -1.654 6.489 -2.993 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.452 6.974 -2.413 1.00 0.00 O ATOM 818 CG2 THR A 54 -2.822 7.385 -2.572 1.00 0.00 C ATOM 0 H THR A 54 -0.521 4.155 -3.898 1.00 0.00 H new ATOM 0 HA THR A 54 -2.095 4.974 -1.451 1.00 0.00 H new ATOM 0 HB THR A 54 -1.568 6.501 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.290 7.892 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.639 8.405 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.744 7.014 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.915 7.375 -1.486 1.00 0.00 H new ATOM 826 N VAL A 55 -3.928 3.673 -2.500 1.00 0.00 N ATOM 827 CA VAL A 55 -5.185 3.137 -3.093 1.00 0.00 C ATOM 828 C VAL A 55 -6.380 3.930 -2.546 1.00 0.00 C ATOM 829 O VAL A 55 -6.261 4.663 -1.580 1.00 0.00 O ATOM 830 CB VAL A 55 -5.284 1.647 -2.706 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.506 1.485 -1.204 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.465 1.016 -3.445 1.00 0.00 C ATOM 0 H VAL A 55 -3.735 3.369 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.186 3.234 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.349 1.157 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.572 0.425 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.672 1.932 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.433 1.982 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.541 -0.038 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.385 1.529 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.311 1.106 -4.520 1.00 0.00 H new ATOM 842 N THR A 56 -7.521 3.784 -3.157 1.00 0.00 N ATOM 843 CA THR A 56 -8.731 4.521 -2.698 1.00 0.00 C ATOM 844 C THR A 56 -9.993 3.842 -3.240 1.00 0.00 C ATOM 845 O THR A 56 -10.247 3.849 -4.431 1.00 0.00 O ATOM 846 CB THR A 56 -8.568 5.918 -3.298 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.392 6.522 -2.776 1.00 0.00 O ATOM 848 CG2 THR A 56 -9.782 6.788 -2.956 1.00 0.00 C ATOM 0 H THR A 56 -7.669 3.178 -3.964 1.00 0.00 H new ATOM 0 HA THR A 56 -8.829 4.546 -1.613 1.00 0.00 H new ATOM 0 HB THR A 56 -8.489 5.831 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.117 6.053 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.653 7.780 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.684 6.330 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.874 6.874 -1.873 1.00 0.00 H new ATOM 856 N GLU A 57 -10.781 3.259 -2.375 1.00 0.00 N ATOM 857 CA GLU A 57 -12.031 2.577 -2.829 1.00 0.00 C ATOM 858 C GLU A 57 -13.168 3.594 -2.961 1.00 0.00 C ATOM 859 O GLU A 57 -13.168 4.554 -2.209 1.00 0.00 O ATOM 860 CB GLU A 57 -12.350 1.559 -1.733 1.00 0.00 C ATOM 861 CG GLU A 57 -13.062 0.353 -2.351 1.00 0.00 C ATOM 862 CD GLU A 57 -13.595 -0.553 -1.239 1.00 0.00 C ATOM 863 OE1 GLU A 57 -12.921 -0.680 -0.231 1.00 0.00 O ATOM 864 OE2 GLU A 57 -14.669 -1.105 -1.416 1.00 0.00 O ATOM 865 OXT GLU A 57 -14.019 3.393 -3.812 1.00 0.00 O ATOM 0 H GLU A 57 -10.613 3.225 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.911 2.103 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.432 1.240 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.980 2.015 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.882 0.688 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.373 -0.202 -2.987 1.00 0.00 H new TER 872 GLU A 57