USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 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 97:sc= 0.0609 USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= 0.326 F(o=-3.6,f=0.36) USER MOD Set 2.2: A 56 THR OG1 : rot -84:sc= 0.0307 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0 (180deg=-0.0643) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -140:sc= -1 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 27:sc= 0.702 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 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 70:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.43) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 45 THR OG1 : rot -5:sc= -0.848! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -35:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.428 -15.223 6.404 1.00 0.00 N ATOM 2 CA MET A 1 -1.483 -15.020 5.268 1.00 0.00 C ATOM 3 C MET A 1 -1.957 -13.859 4.388 1.00 0.00 C ATOM 4 O MET A 1 -2.035 -13.979 3.180 1.00 0.00 O ATOM 5 CB MET A 1 -1.515 -16.334 4.487 1.00 0.00 C ATOM 6 CG MET A 1 -0.603 -17.357 5.169 1.00 0.00 C ATOM 7 SD MET A 1 -0.598 -18.892 4.211 1.00 0.00 S ATOM 8 CE MET A 1 1.167 -19.259 4.377 1.00 0.00 C ATOM 0 H1 MET A 1 -2.002 -14.858 7.280 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.315 -14.715 6.212 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.627 -16.238 6.513 1.00 0.00 H new ATOM 0 HA MET A 1 -0.477 -14.772 5.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.535 -16.716 4.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.188 -16.167 3.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.410 -16.962 5.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.950 -17.550 6.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.397 -20.185 3.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.750 -18.443 3.949 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.418 -19.370 5.432 1.00 0.00 H new ATOM 20 N THR A 2 -2.277 -12.740 4.988 1.00 0.00 N ATOM 21 CA THR A 2 -2.748 -11.567 4.191 1.00 0.00 C ATOM 22 C THR A 2 -1.845 -10.355 4.439 1.00 0.00 C ATOM 23 O THR A 2 -2.271 -9.222 4.317 1.00 0.00 O ATOM 24 CB THR A 2 -4.167 -11.292 4.695 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.926 -12.492 4.643 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.830 -10.230 3.815 1.00 0.00 C ATOM 0 H THR A 2 -2.232 -12.588 5.996 1.00 0.00 H new ATOM 0 HA THR A 2 -2.725 -11.762 3.119 1.00 0.00 H new ATOM 0 HB THR A 2 -4.123 -10.931 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.835 -12.319 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.840 -10.037 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.248 -9.309 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.875 -10.587 2.786 1.00 0.00 H new ATOM 34 N THR A 3 -0.603 -10.587 4.782 1.00 0.00 N ATOM 35 CA THR A 3 0.333 -9.448 5.036 1.00 0.00 C ATOM 36 C THR A 3 0.637 -8.720 3.726 1.00 0.00 C ATOM 37 O THR A 3 1.371 -9.213 2.888 1.00 0.00 O ATOM 38 CB THR A 3 1.604 -10.085 5.602 1.00 0.00 C ATOM 39 OG1 THR A 3 1.255 -10.997 6.634 1.00 0.00 O ATOM 40 CG2 THR A 3 2.512 -8.991 6.167 1.00 0.00 C ATOM 0 H THR A 3 -0.196 -11.515 4.897 1.00 0.00 H new ATOM 0 HA THR A 3 -0.089 -8.714 5.723 1.00 0.00 H new ATOM 0 HB THR A 3 2.130 -10.619 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.068 -11.407 6.997 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.418 -9.443 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.777 -8.293 5.373 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.988 -8.457 6.960 1.00 0.00 H new ATOM 48 N PHE A 4 0.079 -7.550 3.544 1.00 0.00 N ATOM 49 CA PHE A 4 0.329 -6.785 2.288 1.00 0.00 C ATOM 50 C PHE A 4 1.565 -5.898 2.441 1.00 0.00 C ATOM 51 O PHE A 4 1.834 -5.372 3.504 1.00 0.00 O ATOM 52 CB PHE A 4 -0.919 -5.926 2.088 1.00 0.00 C ATOM 53 CG PHE A 4 -2.076 -6.808 1.698 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.062 -7.476 0.468 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.160 -6.965 2.567 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.133 -8.300 0.107 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.229 -7.790 2.207 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.217 -8.458 0.977 1.00 0.00 C ATOM 0 H PHE A 4 -0.540 -7.092 4.213 1.00 0.00 H new ATOM 0 HA PHE A 4 0.513 -7.444 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.153 -5.385 3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.740 -5.179 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.224 -7.355 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.171 -6.449 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.123 -8.814 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.066 -7.912 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.044 -9.095 0.700 1.00 0.00 H new ATOM 68 N LYS A 5 2.311 -5.730 1.381 1.00 0.00 N ATOM 69 CA LYS A 5 3.531 -4.873 1.445 1.00 0.00 C ATOM 70 C LYS A 5 3.319 -3.622 0.588 1.00 0.00 C ATOM 71 O LYS A 5 2.213 -3.333 0.171 1.00 0.00 O ATOM 72 CB LYS A 5 4.658 -5.737 0.872 1.00 0.00 C ATOM 73 CG LYS A 5 4.817 -7.002 1.720 1.00 0.00 C ATOM 74 CD LYS A 5 6.188 -7.629 1.457 1.00 0.00 C ATOM 75 CE LYS A 5 6.079 -9.153 1.550 1.00 0.00 C ATOM 76 NZ LYS A 5 7.458 -9.620 1.864 1.00 0.00 N ATOM 0 H LYS A 5 2.127 -6.151 0.470 1.00 0.00 H new ATOM 0 HA LYS A 5 3.759 -4.540 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.435 -6.005 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.592 -5.174 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.715 -6.758 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.028 -7.715 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.549 -7.339 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.913 -7.261 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.375 -9.452 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.721 -9.581 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.464 -10.657 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.105 -9.327 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.770 -9.202 2.764 1.00 0.00 H new ATOM 90 N LEU A 6 4.366 -2.881 0.318 1.00 0.00 N ATOM 91 CA LEU A 6 4.212 -1.651 -0.518 1.00 0.00 C ATOM 92 C LEU A 6 5.580 -1.142 -0.978 1.00 0.00 C ATOM 93 O LEU A 6 6.344 -0.602 -0.201 1.00 0.00 O ATOM 94 CB LEU A 6 3.529 -0.630 0.397 1.00 0.00 C ATOM 95 CG LEU A 6 3.332 0.695 -0.352 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.207 0.543 -1.374 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.967 1.796 0.643 1.00 0.00 C ATOM 0 H LEU A 6 5.315 -3.074 0.638 1.00 0.00 H new ATOM 0 HA LEU A 6 3.631 -1.837 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.566 -1.015 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.134 -0.467 1.289 1.00 0.00 H new ATOM 0 HG LEU A 6 4.257 0.960 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.068 1.485 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.466 -0.241 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.283 0.276 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.827 2.736 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.044 1.530 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.769 1.908 1.372 1.00 0.00 H new ATOM 109 N ILE A 7 5.875 -1.289 -2.242 1.00 0.00 N ATOM 110 CA ILE A 7 7.175 -0.796 -2.774 1.00 0.00 C ATOM 111 C ILE A 7 7.011 0.666 -3.174 1.00 0.00 C ATOM 112 O ILE A 7 6.190 0.996 -4.013 1.00 0.00 O ATOM 113 CB ILE A 7 7.466 -1.672 -3.996 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.596 -3.133 -3.556 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.773 -1.222 -4.653 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.396 -4.053 -4.762 1.00 0.00 C ATOM 0 H ILE A 7 5.267 -1.732 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 7 7.989 -0.853 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 7 6.649 -1.576 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.578 -3.304 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.857 -3.359 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.977 -1.847 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.683 -0.182 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.591 -1.316 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.489 -5.092 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.404 -3.889 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.152 -3.834 -5.516 1.00 0.00 H new ATOM 128 N ILE A 8 7.768 1.547 -2.574 1.00 0.00 N ATOM 129 CA ILE A 8 7.628 2.990 -2.921 1.00 0.00 C ATOM 130 C ILE A 8 8.649 3.360 -4.001 1.00 0.00 C ATOM 131 O ILE A 8 9.841 3.350 -3.760 1.00 0.00 O ATOM 132 CB ILE A 8 7.905 3.816 -1.649 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.278 3.165 -0.383 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.340 5.232 -1.853 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.762 3.389 -0.318 1.00 0.00 C ATOM 0 H ILE A 8 8.470 1.332 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 8 6.625 3.193 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 8 8.982 3.854 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.488 2.095 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.745 3.582 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.528 5.830 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.825 5.697 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.266 5.173 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.363 2.919 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.553 4.458 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.291 2.949 -1.197 1.00 0.00 H new ATOM 147 N ASN A 9 8.193 3.687 -5.183 1.00 0.00 N ATOM 148 CA ASN A 9 9.143 4.061 -6.274 1.00 0.00 C ATOM 149 C ASN A 9 9.116 5.578 -6.492 1.00 0.00 C ATOM 150 O ASN A 9 8.841 6.054 -7.576 1.00 0.00 O ATOM 151 CB ASN A 9 8.638 3.316 -7.513 1.00 0.00 C ATOM 152 CG ASN A 9 9.532 3.640 -8.717 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.118 4.494 -9.615 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 10.617 3.107 -8.841 1.00 0.00 N flip ATOM 0 H ASN A 9 7.206 3.711 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 9 10.174 3.796 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.638 2.242 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.608 3.603 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.941 2.440 -8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.204 3.326 -9.646 1.00 0.00 H new ATOM 161 N GLY A 10 9.404 6.332 -5.463 1.00 0.00 N ATOM 162 CA GLY A 10 9.403 7.817 -5.593 1.00 0.00 C ATOM 163 C GLY A 10 10.719 8.374 -5.050 1.00 0.00 C ATOM 164 O GLY A 10 11.751 7.734 -5.126 1.00 0.00 O ATOM 0 H GLY A 10 9.641 5.980 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.278 8.102 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.562 8.241 -5.044 1.00 0.00 H new ATOM 168 N LYS A 11 10.688 9.561 -4.504 1.00 0.00 N ATOM 169 CA LYS A 11 11.936 10.171 -3.952 1.00 0.00 C ATOM 170 C LYS A 11 11.825 10.339 -2.430 1.00 0.00 C ATOM 171 O LYS A 11 12.821 10.379 -1.732 1.00 0.00 O ATOM 172 CB LYS A 11 12.058 11.535 -4.641 1.00 0.00 C ATOM 173 CG LYS A 11 10.812 12.381 -4.359 1.00 0.00 C ATOM 174 CD LYS A 11 11.073 13.829 -4.776 1.00 0.00 C ATOM 175 CE LYS A 11 9.778 14.452 -5.301 1.00 0.00 C ATOM 176 NZ LYS A 11 9.160 15.110 -4.117 1.00 0.00 N ATOM 0 H LYS A 11 9.851 10.137 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 11 12.811 9.546 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.948 12.053 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.179 11.399 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.957 11.982 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.561 12.336 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.446 14.401 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.844 13.863 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.980 15.173 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.117 13.694 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.266 15.561 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.973 14.398 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.809 15.832 -3.743 1.00 0.00 H new ATOM 190 N THR A 12 10.625 10.439 -1.917 1.00 0.00 N ATOM 191 CA THR A 12 10.447 10.607 -0.442 1.00 0.00 C ATOM 192 C THR A 12 10.561 9.253 0.266 1.00 0.00 C ATOM 193 O THR A 12 11.124 9.153 1.342 1.00 0.00 O ATOM 194 CB THR A 12 9.041 11.185 -0.272 1.00 0.00 C ATOM 195 OG1 THR A 12 8.148 10.526 -1.159 1.00 0.00 O ATOM 196 CG2 THR A 12 9.062 12.682 -0.584 1.00 0.00 C ATOM 0 H THR A 12 9.760 10.412 -2.456 1.00 0.00 H new ATOM 0 HA THR A 12 11.208 11.256 -0.008 1.00 0.00 H new ATOM 0 HB THR A 12 8.708 11.035 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.525 11.179 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.060 13.093 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.746 13.186 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.395 12.835 -1.611 1.00 0.00 H new ATOM 204 N LEU A 13 10.029 8.214 -0.326 1.00 0.00 N ATOM 205 CA LEU A 13 10.101 6.864 0.312 1.00 0.00 C ATOM 206 C LEU A 13 10.776 5.862 -0.629 1.00 0.00 C ATOM 207 O LEU A 13 10.982 6.133 -1.797 1.00 0.00 O ATOM 208 CB LEU A 13 8.646 6.464 0.554 1.00 0.00 C ATOM 209 CG LEU A 13 8.263 6.737 2.010 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.780 6.414 2.212 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.103 5.855 2.936 1.00 0.00 C ATOM 0 H LEU A 13 9.547 8.242 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 13 10.684 6.878 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.991 7.023 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.508 5.407 0.325 1.00 0.00 H new ATOM 0 HG LEU A 13 8.447 7.786 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.503 6.607 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.178 7.040 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.601 5.364 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.829 6.051 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.920 4.806 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.160 6.079 2.792 1.00 0.00 H new ATOM 223 N LYS A 14 11.115 4.699 -0.124 1.00 0.00 N ATOM 224 CA LYS A 14 11.771 3.657 -0.969 1.00 0.00 C ATOM 225 C LYS A 14 11.975 2.375 -0.156 1.00 0.00 C ATOM 226 O LYS A 14 13.057 2.112 0.339 1.00 0.00 O ATOM 227 CB LYS A 14 13.129 4.244 -1.392 1.00 0.00 C ATOM 228 CG LYS A 14 13.941 4.652 -0.150 1.00 0.00 C ATOM 229 CD LYS A 14 15.276 3.899 -0.128 1.00 0.00 C ATOM 230 CE LYS A 14 16.175 4.420 -1.252 1.00 0.00 C ATOM 231 NZ LYS A 14 17.316 3.463 -1.305 1.00 0.00 N ATOM 0 H LYS A 14 10.962 4.427 0.847 1.00 0.00 H new ATOM 0 HA LYS A 14 11.162 3.401 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.685 3.510 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.975 5.110 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.120 5.727 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.374 4.431 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.766 4.034 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.105 2.830 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.642 4.452 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.519 5.434 -1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.978 3.753 -2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.809 3.459 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.959 2.508 -1.510 1.00 0.00 H new ATOM 245 N GLY A 15 10.947 1.573 -0.012 1.00 0.00 N ATOM 246 CA GLY A 15 11.089 0.309 0.774 1.00 0.00 C ATOM 247 C GLY A 15 9.797 -0.507 0.703 1.00 0.00 C ATOM 248 O GLY A 15 8.900 -0.205 -0.061 1.00 0.00 O ATOM 0 H GLY A 15 10.020 1.739 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.920 -0.278 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.323 0.543 1.813 1.00 0.00 H new ATOM 252 N GLU A 16 9.703 -1.544 1.499 1.00 0.00 N ATOM 253 CA GLU A 16 8.477 -2.398 1.495 1.00 0.00 C ATOM 254 C GLU A 16 7.912 -2.518 2.912 1.00 0.00 C ATOM 255 O GLU A 16 8.474 -3.187 3.758 1.00 0.00 O ATOM 256 CB GLU A 16 8.951 -3.762 0.991 1.00 0.00 C ATOM 257 CG GLU A 16 9.087 -3.726 -0.532 1.00 0.00 C ATOM 258 CD GLU A 16 10.253 -4.619 -0.962 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.345 -4.418 -0.458 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.032 -5.490 -1.787 1.00 0.00 O ATOM 0 H GLU A 16 10.428 -1.836 2.155 1.00 0.00 H new ATOM 0 HA GLU A 16 7.685 -1.983 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.908 -4.017 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.242 -4.536 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.163 -4.067 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.255 -2.703 -0.869 1.00 0.00 H new ATOM 267 N ILE A 17 6.802 -1.876 3.173 1.00 0.00 N ATOM 268 CA ILE A 17 6.190 -1.948 4.533 1.00 0.00 C ATOM 269 C ILE A 17 5.155 -3.077 4.575 1.00 0.00 C ATOM 270 O ILE A 17 4.102 -2.986 3.976 1.00 0.00 O ATOM 271 CB ILE A 17 5.522 -0.585 4.744 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.582 0.520 4.678 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.844 -0.549 6.117 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.743 0.993 3.232 1.00 0.00 C ATOM 0 H ILE A 17 6.292 -1.303 2.500 1.00 0.00 H new ATOM 0 HA ILE A 17 6.923 -2.158 5.312 1.00 0.00 H new ATOM 0 HB ILE A 17 4.776 -0.427 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.290 1.356 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.534 0.148 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.370 0.422 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.089 -1.333 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.590 -0.710 6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.497 1.779 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.055 0.156 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.792 1.382 2.869 1.00 0.00 H new ATOM 286 N THR A 18 5.456 -4.142 5.273 1.00 0.00 N ATOM 287 CA THR A 18 4.503 -5.290 5.354 1.00 0.00 C ATOM 288 C THR A 18 3.474 -5.059 6.466 1.00 0.00 C ATOM 289 O THR A 18 3.824 -4.849 7.611 1.00 0.00 O ATOM 290 CB THR A 18 5.374 -6.508 5.682 1.00 0.00 C ATOM 291 OG1 THR A 18 6.026 -6.296 6.927 1.00 0.00 O ATOM 292 CG2 THR A 18 6.426 -6.714 4.585 1.00 0.00 C ATOM 0 H THR A 18 6.325 -4.266 5.793 1.00 0.00 H new ATOM 0 HA THR A 18 3.944 -5.420 4.428 1.00 0.00 H new ATOM 0 HB THR A 18 4.743 -7.395 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.488 -5.692 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.040 -7.582 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.928 -6.877 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.059 -5.829 4.517 1.00 0.00 H new ATOM 300 N ILE A 19 2.208 -5.108 6.133 1.00 0.00 N ATOM 301 CA ILE A 19 1.146 -4.903 7.169 1.00 0.00 C ATOM 302 C ILE A 19 -0.053 -5.816 6.888 1.00 0.00 C ATOM 303 O ILE A 19 -0.512 -5.923 5.766 1.00 0.00 O ATOM 304 CB ILE A 19 0.747 -3.426 7.064 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.224 -3.119 5.655 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.966 -2.547 7.357 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.306 -3.180 5.651 1.00 0.00 C ATOM 0 H ILE A 19 1.863 -5.281 5.189 1.00 0.00 H new ATOM 0 HA ILE A 19 1.500 -5.148 8.171 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.040 -3.218 7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.560 -2.131 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.629 -3.837 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.684 -1.497 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.331 -2.754 8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.753 -2.763 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.676 -2.962 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.631 -4.177 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.701 -2.445 6.352 1.00 0.00 H new ATOM 319 N GLU A 20 -0.558 -6.473 7.901 1.00 0.00 N ATOM 320 CA GLU A 20 -1.727 -7.385 7.706 1.00 0.00 C ATOM 321 C GLU A 20 -3.023 -6.576 7.588 1.00 0.00 C ATOM 322 O GLU A 20 -3.086 -5.429 7.987 1.00 0.00 O ATOM 323 CB GLU A 20 -1.759 -8.267 8.955 1.00 0.00 C ATOM 324 CG GLU A 20 -2.382 -9.621 8.610 1.00 0.00 C ATOM 325 CD GLU A 20 -2.360 -10.523 9.846 1.00 0.00 C ATOM 326 OE1 GLU A 20 -3.058 -10.210 10.795 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.646 -11.512 9.820 1.00 0.00 O ATOM 0 H GLU A 20 -0.210 -6.417 8.858 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.638 -7.974 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.749 -8.407 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.335 -7.780 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.407 -9.484 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.831 -10.090 7.795 1.00 0.00 H new ATOM 334 N ALA A 21 -4.054 -7.169 7.039 1.00 0.00 N ATOM 335 CA ALA A 21 -5.354 -6.447 6.890 1.00 0.00 C ATOM 336 C ALA A 21 -6.457 -7.423 6.469 1.00 0.00 C ATOM 337 O ALA A 21 -6.188 -8.531 6.044 1.00 0.00 O ATOM 338 CB ALA A 21 -5.108 -5.412 5.790 1.00 0.00 C ATOM 0 H ALA A 21 -4.050 -8.126 6.686 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.678 -5.984 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.019 -4.838 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.307 -4.739 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.823 -5.921 4.869 1.00 0.00 H new ATOM 344 N VAL A 22 -7.699 -7.018 6.583 1.00 0.00 N ATOM 345 CA VAL A 22 -8.835 -7.913 6.193 1.00 0.00 C ATOM 346 C VAL A 22 -8.665 -8.391 4.743 1.00 0.00 C ATOM 347 O VAL A 22 -8.946 -9.527 4.412 1.00 0.00 O ATOM 348 CB VAL A 22 -10.094 -7.045 6.342 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.007 -5.830 5.411 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.337 -7.872 5.992 1.00 0.00 C ATOM 0 H VAL A 22 -7.977 -6.100 6.932 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.887 -8.810 6.811 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.167 -6.700 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.904 -5.221 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.130 -5.236 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.925 -6.168 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.228 -7.253 6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.262 -8.225 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.406 -8.727 6.665 1.00 0.00 H new ATOM 360 N ASP A 23 -8.199 -7.523 3.887 1.00 0.00 N ATOM 361 CA ASP A 23 -7.990 -7.893 2.456 1.00 0.00 C ATOM 362 C ASP A 23 -7.053 -6.872 1.811 1.00 0.00 C ATOM 363 O ASP A 23 -6.679 -5.895 2.433 1.00 0.00 O ATOM 364 CB ASP A 23 -9.377 -7.835 1.815 1.00 0.00 C ATOM 365 CG ASP A 23 -10.022 -9.223 1.866 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.474 -10.131 1.264 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.053 -9.352 2.506 1.00 0.00 O ATOM 0 H ASP A 23 -7.951 -6.561 4.120 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.541 -8.879 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.002 -7.112 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.298 -7.497 0.782 1.00 0.00 H new ATOM 372 N ALA A 24 -6.665 -7.083 0.577 1.00 0.00 N ATOM 373 CA ALA A 24 -5.745 -6.109 -0.083 1.00 0.00 C ATOM 374 C ALA A 24 -6.436 -4.750 -0.204 1.00 0.00 C ATOM 375 O ALA A 24 -5.799 -3.713 -0.160 1.00 0.00 O ATOM 376 CB ALA A 24 -5.439 -6.689 -1.463 1.00 0.00 C ATOM 0 H ALA A 24 -6.943 -7.880 0.004 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.829 -5.958 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.767 -6.019 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.966 -7.664 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.366 -6.798 -2.025 1.00 0.00 H new ATOM 382 N ALA A 25 -7.741 -4.748 -0.345 1.00 0.00 N ATOM 383 CA ALA A 25 -8.491 -3.460 -0.456 1.00 0.00 C ATOM 384 C ALA A 25 -8.206 -2.585 0.767 1.00 0.00 C ATOM 385 O ALA A 25 -7.994 -1.392 0.654 1.00 0.00 O ATOM 386 CB ALA A 25 -9.970 -3.853 -0.501 1.00 0.00 C ATOM 0 H ALA A 25 -8.319 -5.587 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.201 -2.889 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.583 -2.955 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.150 -4.495 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.232 -4.389 0.411 1.00 0.00 H new ATOM 392 N GLU A 26 -8.182 -3.180 1.933 1.00 0.00 N ATOM 393 CA GLU A 26 -7.890 -2.399 3.171 1.00 0.00 C ATOM 394 C GLU A 26 -6.413 -2.016 3.181 1.00 0.00 C ATOM 395 O GLU A 26 -6.057 -0.884 3.452 1.00 0.00 O ATOM 396 CB GLU A 26 -8.215 -3.340 4.332 1.00 0.00 C ATOM 397 CG GLU A 26 -8.030 -2.601 5.658 1.00 0.00 C ATOM 398 CD GLU A 26 -9.051 -3.113 6.675 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.185 -2.664 6.624 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.683 -3.946 7.487 1.00 0.00 O ATOM 0 H GLU A 26 -8.353 -4.175 2.080 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.470 -1.479 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.240 -3.701 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.565 -4.214 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.018 -2.754 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.156 -1.529 5.509 1.00 0.00 H new ATOM 407 N ALA A 27 -5.547 -2.952 2.863 1.00 0.00 N ATOM 408 CA ALA A 27 -4.082 -2.644 2.825 1.00 0.00 C ATOM 409 C ALA A 27 -3.831 -1.496 1.849 1.00 0.00 C ATOM 410 O ALA A 27 -3.038 -0.610 2.106 1.00 0.00 O ATOM 411 CB ALA A 27 -3.403 -3.919 2.322 1.00 0.00 C ATOM 0 H ALA A 27 -5.792 -3.914 2.629 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.699 -2.346 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.326 -3.761 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.617 -4.740 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.781 -4.166 1.330 1.00 0.00 H new ATOM 417 N GLU A 28 -4.526 -1.501 0.735 1.00 0.00 N ATOM 418 CA GLU A 28 -4.355 -0.402 -0.261 1.00 0.00 C ATOM 419 C GLU A 28 -4.726 0.929 0.393 1.00 0.00 C ATOM 420 O GLU A 28 -4.063 1.923 0.197 1.00 0.00 O ATOM 421 CB GLU A 28 -5.315 -0.727 -1.409 1.00 0.00 C ATOM 422 CG GLU A 28 -4.910 0.065 -2.657 1.00 0.00 C ATOM 423 CD GLU A 28 -6.033 -0.010 -3.694 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.219 -1.075 -4.260 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.687 0.998 -3.905 1.00 0.00 O ATOM 0 H GLU A 28 -5.203 -2.219 0.476 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.329 -0.321 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.295 -1.796 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.337 -0.478 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.712 1.104 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.988 -0.339 -3.074 1.00 0.00 H new ATOM 432 N LYS A 29 -5.768 0.943 1.190 1.00 0.00 N ATOM 433 CA LYS A 29 -6.164 2.207 1.879 1.00 0.00 C ATOM 434 C LYS A 29 -5.087 2.575 2.902 1.00 0.00 C ATOM 435 O LYS A 29 -4.600 3.693 2.935 1.00 0.00 O ATOM 436 CB LYS A 29 -7.489 1.900 2.579 1.00 0.00 C ATOM 437 CG LYS A 29 -8.631 1.915 1.555 1.00 0.00 C ATOM 438 CD LYS A 29 -9.854 2.615 2.156 1.00 0.00 C ATOM 439 CE LYS A 29 -9.798 4.109 1.829 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.573 4.254 0.566 1.00 0.00 N ATOM 0 H LYS A 29 -6.358 0.136 1.391 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.271 3.044 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.437 0.926 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.678 2.637 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.313 2.431 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.888 0.895 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.769 2.178 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.876 2.469 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.234 4.705 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.770 4.448 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.581 5.253 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.131 3.680 -0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.549 3.930 0.719 1.00 0.00 H new ATOM 454 N ILE A 30 -4.691 1.629 3.721 1.00 0.00 N ATOM 455 CA ILE A 30 -3.622 1.902 4.734 1.00 0.00 C ATOM 456 C ILE A 30 -2.359 2.377 4.009 1.00 0.00 C ATOM 457 O ILE A 30 -1.720 3.334 4.408 1.00 0.00 O ATOM 458 CB ILE A 30 -3.374 0.561 5.440 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.645 0.124 6.176 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.233 0.710 6.452 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.447 -1.279 6.764 1.00 0.00 C ATOM 0 H ILE A 30 -5.062 0.679 3.731 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.904 2.675 5.449 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.105 -0.188 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.878 0.832 6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.492 0.125 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.061 -0.244 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.325 1.017 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.500 1.463 7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.353 -1.586 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.235 -1.984 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.612 -1.266 7.464 1.00 0.00 H new ATOM 473 N PHE A 31 -2.015 1.717 2.934 1.00 0.00 N ATOM 474 CA PHE A 31 -0.812 2.125 2.153 1.00 0.00 C ATOM 475 C PHE A 31 -1.093 3.455 1.447 1.00 0.00 C ATOM 476 O PHE A 31 -0.243 4.322 1.376 1.00 0.00 O ATOM 477 CB PHE A 31 -0.591 0.999 1.138 1.00 0.00 C ATOM 478 CG PHE A 31 0.116 -0.158 1.807 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.287 0.062 2.544 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.401 -1.454 1.686 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.940 -1.012 3.158 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.253 -2.528 2.300 1.00 0.00 C ATOM 483 CZ PHE A 31 1.424 -2.307 3.034 1.00 0.00 C ATOM 0 H PHE A 31 -2.518 0.911 2.563 1.00 0.00 H new ATOM 0 HA PHE A 31 0.069 2.271 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.547 0.668 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.001 1.364 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.686 1.061 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.304 -1.624 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.842 -0.842 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.146 -3.527 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.930 -3.137 3.505 1.00 0.00 H new ATOM 493 N LYS A 32 -2.294 3.628 0.943 1.00 0.00 N ATOM 494 CA LYS A 32 -2.655 4.903 0.255 1.00 0.00 C ATOM 495 C LYS A 32 -2.868 6.041 1.264 1.00 0.00 C ATOM 496 O LYS A 32 -3.130 7.166 0.881 1.00 0.00 O ATOM 497 CB LYS A 32 -3.955 4.614 -0.496 1.00 0.00 C ATOM 498 CG LYS A 32 -3.659 3.782 -1.752 1.00 0.00 C ATOM 499 CD LYS A 32 -3.750 4.669 -2.997 1.00 0.00 C ATOM 500 CE LYS A 32 -5.184 5.183 -3.162 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.039 6.618 -3.537 1.00 0.00 N ATOM 0 H LYS A 32 -3.041 2.935 0.981 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.857 5.225 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.648 4.077 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.440 5.550 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.665 3.341 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.369 2.958 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.061 5.509 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.452 4.104 -3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.717 4.626 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.752 5.072 -2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.981 7.040 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.534 7.125 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.501 6.692 -4.424 1.00 0.00 H new ATOM 515 N GLN A 33 -2.705 5.779 2.539 1.00 0.00 N ATOM 516 CA GLN A 33 -2.839 6.865 3.554 1.00 0.00 C ATOM 517 C GLN A 33 -1.418 7.157 3.991 1.00 0.00 C ATOM 518 O GLN A 33 -0.961 8.277 4.033 1.00 0.00 O ATOM 519 CB GLN A 33 -3.665 6.271 4.696 1.00 0.00 C ATOM 520 CG GLN A 33 -3.906 7.342 5.762 1.00 0.00 C ATOM 521 CD GLN A 33 -4.866 6.800 6.823 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.022 6.555 6.544 1.00 0.00 O ATOM 523 NE2 GLN A 33 -4.431 6.601 8.037 1.00 0.00 N ATOM 0 H GLN A 33 -2.485 4.858 2.918 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.321 7.778 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.617 5.900 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.143 5.420 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.961 7.629 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.323 8.239 5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.460 6.807 8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.062 6.239 8.752 1.00 0.00 H new ATOM 532 N TYR A 34 -0.705 6.098 4.237 1.00 0.00 N ATOM 533 CA TYR A 34 0.734 6.168 4.594 1.00 0.00 C ATOM 534 C TYR A 34 1.473 7.080 3.583 1.00 0.00 C ATOM 535 O TYR A 34 2.438 7.742 3.913 1.00 0.00 O ATOM 536 CB TYR A 34 1.132 4.695 4.443 1.00 0.00 C ATOM 537 CG TYR A 34 2.635 4.521 4.395 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.422 4.969 5.463 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.236 3.906 3.291 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.810 4.802 5.428 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.626 3.740 3.256 1.00 0.00 C ATOM 542 CZ TYR A 34 5.413 4.188 4.324 1.00 0.00 C ATOM 543 OH TYR A 34 6.785 4.022 4.293 1.00 0.00 O ATOM 0 H TYR A 34 -1.078 5.149 4.203 1.00 0.00 H new ATOM 0 HA TYR A 34 0.964 6.583 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.726 4.122 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.690 4.291 3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.957 5.444 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.629 3.560 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.416 5.147 6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.091 3.266 2.404 1.00 0.00 H new ATOM 0 HH TYR A 34 7.048 3.348 4.954 1.00 0.00 H new ATOM 553 N ALA A 35 0.991 7.124 2.362 1.00 0.00 N ATOM 554 CA ALA A 35 1.615 7.997 1.320 1.00 0.00 C ATOM 555 C ALA A 35 1.055 9.423 1.463 1.00 0.00 C ATOM 556 O ALA A 35 1.784 10.396 1.465 1.00 0.00 O ATOM 557 CB ALA A 35 1.177 7.409 -0.034 1.00 0.00 C ATOM 0 H ALA A 35 0.185 6.587 2.042 1.00 0.00 H new ATOM 0 HA ALA A 35 2.700 8.036 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.601 8.004 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.530 6.381 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.089 7.426 -0.103 1.00 0.00 H new ATOM 563 N ASN A 36 -0.246 9.540 1.556 1.00 0.00 N ATOM 564 CA ASN A 36 -0.892 10.889 1.670 1.00 0.00 C ATOM 565 C ASN A 36 -0.574 11.549 3.013 1.00 0.00 C ATOM 566 O ASN A 36 -0.265 12.723 3.075 1.00 0.00 O ATOM 567 CB ASN A 36 -2.391 10.623 1.563 1.00 0.00 C ATOM 568 CG ASN A 36 -2.770 10.424 0.094 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.304 11.317 -0.533 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.516 9.282 -0.484 1.00 0.00 N ATOM 0 H ASN A 36 -0.896 8.754 1.558 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.529 11.567 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.656 9.738 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.950 11.458 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.766 9.139 -1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.068 8.532 0.043 1.00 0.00 H new ATOM 577 N ASP A 37 -0.665 10.806 4.091 1.00 0.00 N ATOM 578 CA ASP A 37 -0.382 11.378 5.453 1.00 0.00 C ATOM 579 C ASP A 37 0.921 12.179 5.455 1.00 0.00 C ATOM 580 O ASP A 37 1.085 13.124 6.204 1.00 0.00 O ATOM 581 CB ASP A 37 -0.268 10.167 6.380 1.00 0.00 C ATOM 582 CG ASP A 37 -0.750 10.550 7.780 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.947 10.500 8.007 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.088 10.887 8.601 1.00 0.00 O ATOM 0 H ASP A 37 -0.925 9.820 4.088 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.166 12.066 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.864 9.341 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.765 9.823 6.421 1.00 0.00 H new ATOM 589 N ASN A 38 1.830 11.812 4.602 1.00 0.00 N ATOM 590 CA ASN A 38 3.119 12.537 4.508 1.00 0.00 C ATOM 591 C ASN A 38 3.087 13.475 3.299 1.00 0.00 C ATOM 592 O ASN A 38 3.466 14.628 3.379 1.00 0.00 O ATOM 593 CB ASN A 38 4.180 11.450 4.324 1.00 0.00 C ATOM 594 CG ASN A 38 5.503 11.923 4.928 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.082 12.890 4.472 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.013 11.276 5.940 1.00 0.00 N ATOM 0 H ASN A 38 1.732 11.028 3.957 1.00 0.00 H new ATOM 0 HA ASN A 38 3.324 13.147 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.858 10.527 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.310 11.229 3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.897 11.582 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.528 10.465 6.323 1.00 0.00 H new ATOM 603 N GLY A 39 2.641 12.973 2.179 1.00 0.00 N ATOM 604 CA GLY A 39 2.575 13.801 0.940 1.00 0.00 C ATOM 605 C GLY A 39 3.231 13.008 -0.179 1.00 0.00 C ATOM 606 O GLY A 39 4.267 13.383 -0.696 1.00 0.00 O ATOM 0 H GLY A 39 2.316 12.013 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.540 14.033 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.088 14.752 1.087 1.00 0.00 H new ATOM 610 N ILE A 40 2.660 11.882 -0.521 1.00 0.00 N ATOM 611 CA ILE A 40 3.266 11.017 -1.563 1.00 0.00 C ATOM 612 C ILE A 40 2.305 10.862 -2.742 1.00 0.00 C ATOM 613 O ILE A 40 1.119 10.656 -2.565 1.00 0.00 O ATOM 614 CB ILE A 40 3.439 9.694 -0.830 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.340 9.917 0.430 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.985 8.614 -1.779 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.691 9.225 0.310 1.00 0.00 C ATOM 0 H ILE A 40 1.793 11.527 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 40 4.195 11.407 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 40 2.473 9.328 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.495 10.986 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.822 9.545 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.101 7.677 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.289 8.470 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.952 8.929 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.277 9.412 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.541 8.152 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.224 9.615 -0.557 1.00 0.00 H new ATOM 629 N ASP A 41 2.816 10.943 -3.935 1.00 0.00 N ATOM 630 CA ASP A 41 1.950 10.782 -5.137 1.00 0.00 C ATOM 631 C ASP A 41 2.502 9.643 -5.987 1.00 0.00 C ATOM 632 O ASP A 41 3.424 8.959 -5.583 1.00 0.00 O ATOM 633 CB ASP A 41 2.041 12.119 -5.881 1.00 0.00 C ATOM 634 CG ASP A 41 0.639 12.576 -6.291 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.246 12.532 -5.453 1.00 0.00 O ATOM 636 OD2 ASP A 41 0.475 12.964 -7.436 1.00 0.00 O ATOM 0 H ASP A 41 3.802 11.115 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 41 0.915 10.541 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.507 12.870 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.672 12.013 -6.763 1.00 0.00 H new ATOM 641 N GLY A 42 1.965 9.440 -7.162 1.00 0.00 N ATOM 642 CA GLY A 42 2.485 8.353 -8.033 1.00 0.00 C ATOM 643 C GLY A 42 1.374 7.415 -8.489 1.00 0.00 C ATOM 644 O GLY A 42 0.210 7.608 -8.191 1.00 0.00 O ATOM 0 H GLY A 42 1.192 9.979 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.974 8.788 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.242 7.785 -7.493 1.00 0.00 H new ATOM 648 N GLU A 43 1.743 6.390 -9.215 1.00 0.00 N ATOM 649 CA GLU A 43 0.737 5.407 -9.712 1.00 0.00 C ATOM 650 C GLU A 43 0.554 4.279 -8.694 1.00 0.00 C ATOM 651 O GLU A 43 1.513 3.671 -8.268 1.00 0.00 O ATOM 652 CB GLU A 43 1.350 4.854 -10.997 1.00 0.00 C ATOM 653 CG GLU A 43 0.372 3.879 -11.655 1.00 0.00 C ATOM 654 CD GLU A 43 0.762 3.671 -13.118 1.00 0.00 C ATOM 655 OE1 GLU A 43 0.550 4.581 -13.903 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.267 2.605 -13.430 1.00 0.00 O ATOM 0 H GLU A 43 2.706 6.192 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.242 5.858 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.581 5.670 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.290 4.348 -10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.382 2.926 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.644 4.268 -11.591 1.00 0.00 H new ATOM 663 N TRP A 44 -0.666 3.993 -8.309 1.00 0.00 N ATOM 664 CA TRP A 44 -0.910 2.895 -7.321 1.00 0.00 C ATOM 665 C TRP A 44 -1.301 1.611 -8.040 1.00 0.00 C ATOM 666 O TRP A 44 -2.236 1.580 -8.819 1.00 0.00 O ATOM 667 CB TRP A 44 -2.054 3.391 -6.442 1.00 0.00 C ATOM 668 CG TRP A 44 -1.477 4.210 -5.345 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.274 5.547 -5.380 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.006 3.752 -4.057 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.701 5.937 -4.183 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.516 4.862 -3.333 1.00 0.00 C ATOM 673 CE3 TRP A 44 -0.960 2.486 -3.456 1.00 0.00 C ATOM 674 CZ2 TRP A 44 0.008 4.719 -2.052 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.433 2.335 -2.165 1.00 0.00 C ATOM 676 CH2 TRP A 44 0.052 3.451 -1.464 1.00 0.00 C ATOM 0 H TRP A 44 -1.504 4.473 -8.636 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.020 2.668 -6.734 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.755 3.983 -7.030 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.612 2.548 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.518 6.200 -6.204 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.447 6.898 -3.956 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.332 1.624 -3.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.378 5.581 -1.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.400 1.357 -1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.459 3.330 -0.471 1.00 0.00 H new ATOM 687 N THR A 45 -0.586 0.551 -7.782 1.00 0.00 N ATOM 688 CA THR A 45 -0.897 -0.749 -8.445 1.00 0.00 C ATOM 689 C THR A 45 -0.782 -1.872 -7.427 1.00 0.00 C ATOM 690 O THR A 45 0.166 -1.929 -6.671 1.00 0.00 O ATOM 691 CB THR A 45 0.153 -0.939 -9.556 1.00 0.00 C ATOM 692 OG1 THR A 45 1.385 -1.357 -8.981 1.00 0.00 O ATOM 693 CG2 THR A 45 0.370 0.369 -10.315 1.00 0.00 C ATOM 0 H THR A 45 0.204 0.528 -7.138 1.00 0.00 H new ATOM 0 HA THR A 45 -1.907 -0.759 -8.856 1.00 0.00 H new ATOM 0 HB THR A 45 -0.208 -1.697 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.308 -1.354 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.115 0.217 -11.096 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.570 0.688 -10.766 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.720 1.137 -9.625 1.00 0.00 H new ATOM 701 N TYR A 46 -1.732 -2.761 -7.411 1.00 0.00 N ATOM 702 CA TYR A 46 -1.682 -3.895 -6.446 1.00 0.00 C ATOM 703 C TYR A 46 -1.123 -5.142 -7.150 1.00 0.00 C ATOM 704 O TYR A 46 -1.331 -5.344 -8.332 1.00 0.00 O ATOM 705 CB TYR A 46 -3.137 -4.106 -5.996 1.00 0.00 C ATOM 706 CG TYR A 46 -3.252 -5.392 -5.203 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.434 -5.596 -4.086 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.159 -6.381 -5.597 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.526 -6.788 -3.361 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.251 -7.575 -4.872 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.434 -7.778 -3.753 1.00 0.00 C ATOM 712 OH TYR A 46 -3.524 -8.955 -3.040 1.00 0.00 O ATOM 0 H TYR A 46 -2.545 -2.753 -8.027 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.034 -3.698 -5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.464 -3.263 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.793 -4.145 -6.865 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.732 -4.833 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.788 -6.224 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.896 -6.945 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.952 -8.339 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.204 -9.532 -3.446 1.00 0.00 H new ATOM 722 N ASP A 47 -0.429 -5.977 -6.422 1.00 0.00 N ATOM 723 CA ASP A 47 0.135 -7.219 -7.027 1.00 0.00 C ATOM 724 C ASP A 47 -0.495 -8.443 -6.364 1.00 0.00 C ATOM 725 O ASP A 47 -0.119 -8.831 -5.273 1.00 0.00 O ATOM 726 CB ASP A 47 1.636 -7.162 -6.739 1.00 0.00 C ATOM 727 CG ASP A 47 2.262 -6.007 -7.522 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.248 -4.896 -7.016 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.746 -6.251 -8.616 1.00 0.00 O ATOM 0 H ASP A 47 -0.228 -5.851 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.064 -7.290 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.807 -7.026 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.107 -8.104 -7.020 1.00 0.00 H new ATOM 734 N ASP A 48 -1.451 -9.054 -7.017 1.00 0.00 N ATOM 735 CA ASP A 48 -2.121 -10.260 -6.433 1.00 0.00 C ATOM 736 C ASP A 48 -1.179 -11.477 -6.418 1.00 0.00 C ATOM 737 O ASP A 48 -1.520 -12.519 -5.889 1.00 0.00 O ATOM 738 CB ASP A 48 -3.331 -10.528 -7.336 1.00 0.00 C ATOM 739 CG ASP A 48 -2.864 -10.763 -8.777 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.622 -9.787 -9.467 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.755 -11.915 -9.163 1.00 0.00 O ATOM 0 H ASP A 48 -1.799 -8.770 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.410 -10.088 -5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.879 -11.398 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.017 -9.682 -7.300 1.00 0.00 H new ATOM 746 N ALA A 49 -0.002 -11.354 -6.981 1.00 0.00 N ATOM 747 CA ALA A 49 0.956 -12.497 -6.988 1.00 0.00 C ATOM 748 C ALA A 49 1.842 -12.431 -5.744 1.00 0.00 C ATOM 749 O ALA A 49 2.309 -13.440 -5.249 1.00 0.00 O ATOM 750 CB ALA A 49 1.791 -12.310 -8.255 1.00 0.00 C ATOM 0 H ALA A 49 0.335 -10.506 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 49 0.454 -13.465 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.522 -13.115 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.138 -12.329 -9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.310 -11.352 -8.211 1.00 0.00 H new ATOM 756 N THR A 50 2.064 -11.247 -5.228 1.00 0.00 N ATOM 757 CA THR A 50 2.905 -11.102 -4.007 1.00 0.00 C ATOM 758 C THR A 50 2.167 -10.265 -2.953 1.00 0.00 C ATOM 759 O THR A 50 2.736 -9.889 -1.945 1.00 0.00 O ATOM 760 CB THR A 50 4.169 -10.380 -4.476 1.00 0.00 C ATOM 761 OG1 THR A 50 3.813 -9.127 -5.043 1.00 0.00 O ATOM 762 CG2 THR A 50 4.885 -11.231 -5.526 1.00 0.00 C ATOM 0 H THR A 50 1.696 -10.373 -5.604 1.00 0.00 H new ATOM 0 HA THR A 50 3.134 -12.064 -3.548 1.00 0.00 H new ATOM 0 HB THR A 50 4.833 -10.220 -3.627 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.622 -8.662 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.786 -10.716 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.157 -12.193 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.223 -11.392 -6.377 1.00 0.00 H new ATOM 770 N LYS A 51 0.902 -9.961 -3.176 1.00 0.00 N ATOM 771 CA LYS A 51 0.125 -9.140 -2.189 1.00 0.00 C ATOM 772 C LYS A 51 0.862 -7.830 -1.892 1.00 0.00 C ATOM 773 O LYS A 51 0.930 -7.390 -0.761 1.00 0.00 O ATOM 774 CB LYS A 51 0.026 -10.000 -0.920 1.00 0.00 C ATOM 775 CG LYS A 51 -0.675 -11.327 -1.241 1.00 0.00 C ATOM 776 CD LYS A 51 -2.114 -11.294 -0.716 1.00 0.00 C ATOM 777 CE LYS A 51 -2.519 -12.692 -0.245 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.105 -13.350 -1.447 1.00 0.00 N ATOM 0 H LYS A 51 0.377 -10.249 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.861 -8.874 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.022 -10.192 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.527 -9.464 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.675 -11.498 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.131 -12.155 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.196 -10.584 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.790 -10.953 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.659 -13.247 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.243 -12.640 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.407 -14.315 -1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.926 -12.803 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.391 -13.392 -2.202 1.00 0.00 H new ATOM 792 N THR A 52 1.424 -7.214 -2.903 1.00 0.00 N ATOM 793 CA THR A 52 2.170 -5.936 -2.678 1.00 0.00 C ATOM 794 C THR A 52 1.642 -4.821 -3.587 1.00 0.00 C ATOM 795 O THR A 52 1.292 -5.052 -4.727 1.00 0.00 O ATOM 796 CB THR A 52 3.622 -6.263 -3.030 1.00 0.00 C ATOM 797 OG1 THR A 52 4.048 -7.394 -2.284 1.00 0.00 O ATOM 798 CG2 THR A 52 4.511 -5.064 -2.695 1.00 0.00 C ATOM 0 H THR A 52 1.399 -7.538 -3.870 1.00 0.00 H new ATOM 0 HA THR A 52 2.058 -5.579 -1.654 1.00 0.00 H new ATOM 0 HB THR A 52 3.697 -6.483 -4.095 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.953 -8.201 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.546 -5.297 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.185 -4.197 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.437 -4.842 -1.630 1.00 0.00 H new ATOM 806 N PHE A 53 1.603 -3.609 -3.089 1.00 0.00 N ATOM 807 CA PHE A 53 1.119 -2.464 -3.920 1.00 0.00 C ATOM 808 C PHE A 53 2.332 -1.689 -4.460 1.00 0.00 C ATOM 809 O PHE A 53 3.457 -2.113 -4.272 1.00 0.00 O ATOM 810 CB PHE A 53 0.278 -1.610 -2.970 1.00 0.00 C ATOM 811 CG PHE A 53 -0.994 -2.352 -2.615 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.976 -3.349 -1.630 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.194 -2.041 -3.271 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.156 -4.034 -1.301 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.370 -2.727 -2.940 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.350 -3.720 -1.957 1.00 0.00 C ATOM 0 H PHE A 53 1.886 -3.364 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 53 0.530 -2.774 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.845 -1.386 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.036 -0.656 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.053 -3.590 -1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.212 -1.273 -4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.142 -4.802 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.294 -2.488 -3.446 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.259 -4.246 -1.704 1.00 0.00 H new ATOM 826 N THR A 54 2.136 -0.565 -5.127 1.00 0.00 N ATOM 827 CA THR A 54 3.304 0.192 -5.658 1.00 0.00 C ATOM 828 C THR A 54 2.884 1.624 -5.942 1.00 0.00 C ATOM 829 O THR A 54 1.974 1.863 -6.702 1.00 0.00 O ATOM 830 CB THR A 54 3.695 -0.518 -6.957 1.00 0.00 C ATOM 831 OG1 THR A 54 3.877 -1.904 -6.710 1.00 0.00 O ATOM 832 CG2 THR A 54 4.996 0.080 -7.498 1.00 0.00 C ATOM 0 H THR A 54 1.224 -0.151 -5.320 1.00 0.00 H new ATOM 0 HA THR A 54 4.137 0.222 -4.956 1.00 0.00 H new ATOM 0 HB THR A 54 2.901 -0.384 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.265 -2.029 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.273 -0.427 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.854 1.143 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.790 -0.049 -6.762 1.00 0.00 H new ATOM 840 N VAL A 55 3.541 2.568 -5.338 1.00 0.00 N ATOM 841 CA VAL A 55 3.190 4.007 -5.564 1.00 0.00 C ATOM 842 C VAL A 55 4.394 4.709 -6.204 1.00 0.00 C ATOM 843 O VAL A 55 5.311 5.150 -5.536 1.00 0.00 O ATOM 844 CB VAL A 55 2.799 4.576 -4.167 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.753 4.082 -3.077 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.797 6.111 -4.170 1.00 0.00 C ATOM 0 H VAL A 55 4.314 2.411 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 55 2.355 4.156 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 55 1.793 4.216 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.453 4.497 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.719 2.994 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.768 4.403 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.520 6.476 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.792 6.476 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.078 6.472 -4.905 1.00 0.00 H new ATOM 856 N THR A 56 4.394 4.775 -7.512 1.00 0.00 N ATOM 857 CA THR A 56 5.529 5.404 -8.255 1.00 0.00 C ATOM 858 C THR A 56 5.324 6.936 -8.337 1.00 0.00 C ATOM 859 O THR A 56 4.704 7.454 -9.243 1.00 0.00 O ATOM 860 CB THR A 56 5.515 4.654 -9.631 1.00 0.00 C ATOM 861 OG1 THR A 56 6.639 3.795 -9.699 1.00 0.00 O ATOM 862 CG2 THR A 56 5.550 5.592 -10.843 1.00 0.00 C ATOM 0 H THR A 56 3.646 4.415 -8.104 1.00 0.00 H new ATOM 0 HA THR A 56 6.507 5.306 -7.784 1.00 0.00 H new ATOM 0 HB THR A 56 4.575 4.103 -9.676 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.422 4.304 -9.995 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.538 5.003 -11.760 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.679 6.247 -10.821 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.458 6.194 -10.811 1.00 0.00 H new ATOM 870 N GLU A 57 5.837 7.661 -7.373 1.00 0.00 N ATOM 871 CA GLU A 57 5.671 9.151 -7.377 1.00 0.00 C ATOM 872 C GLU A 57 6.412 9.761 -8.570 1.00 0.00 C ATOM 873 O GLU A 57 7.615 9.938 -8.468 1.00 0.00 O ATOM 874 CB GLU A 57 6.290 9.629 -6.062 1.00 0.00 C ATOM 875 CG GLU A 57 5.985 11.114 -5.863 1.00 0.00 C ATOM 876 CD GLU A 57 7.050 11.953 -6.571 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.203 11.556 -6.545 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.694 12.979 -7.129 1.00 0.00 O ATOM 879 OXT GLU A 57 5.763 10.042 -9.565 1.00 0.00 O ATOM 0 H GLU A 57 6.363 7.287 -6.583 1.00 0.00 H new ATOM 0 HA GLU A 57 4.626 9.447 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.891 9.050 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.368 9.467 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.998 11.350 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.966 11.353 -4.800 1.00 0.00 H new TER 886 GLU A 57