USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 281 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 10 ASN : amide:sc=-0.000787 K(o=-0.58,f=-1.6) USER MOD Set 2.2: A 13 ASN : amide:sc= -0.576 K(o=-0.58,f=-1.6) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 115:sc= 0.321 USER MOD Single : A 34 GLN : amide:sc= -0.0032 X(o=-0.0032,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.139 12.353 1.772 1.00 0.00 N ATOM 2 CA GLU A 1 3.831 11.272 2.539 1.00 0.00 C ATOM 3 C GLU A 1 3.384 9.893 2.039 1.00 0.00 C ATOM 4 O GLU A 1 2.270 9.721 1.577 1.00 0.00 O ATOM 5 CB GLU A 1 3.403 11.476 3.997 1.00 0.00 C ATOM 6 CG GLU A 1 4.631 11.407 4.909 1.00 0.00 C ATOM 7 CD GLU A 1 4.312 12.074 6.250 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.457 13.283 6.338 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.928 11.365 7.166 1.00 0.00 O ATOM 0 H1 GLU A 1 3.452 13.281 2.122 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.373 12.267 0.762 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.110 12.264 1.898 1.00 0.00 H new ATOM 0 HA GLU A 1 4.914 11.317 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.908 12.441 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.681 10.712 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.921 10.368 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.477 11.905 4.435 1.00 0.00 H new ATOM 18 N CYS A 2 4.244 8.908 2.130 1.00 0.00 N ATOM 19 CA CYS A 2 3.868 7.538 1.663 1.00 0.00 C ATOM 20 C CYS A 2 3.135 6.777 2.777 1.00 0.00 C ATOM 21 O CYS A 2 3.283 7.076 3.948 1.00 0.00 O ATOM 22 CB CYS A 2 5.190 6.850 1.301 1.00 0.00 C ATOM 23 SG CYS A 2 6.166 6.539 2.796 1.00 0.00 S ATOM 0 H CYS A 2 5.188 8.994 2.507 1.00 0.00 H new ATOM 0 HA CYS A 2 3.191 7.568 0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.990 5.910 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.757 7.476 0.612 1.00 0.00 H new ATOM 28 N LEU A 3 2.339 5.801 2.415 1.00 0.00 N ATOM 29 CA LEU A 3 1.583 5.019 3.441 1.00 0.00 C ATOM 30 C LEU A 3 2.432 3.854 3.960 1.00 0.00 C ATOM 31 O LEU A 3 2.973 3.078 3.193 1.00 0.00 O ATOM 32 CB LEU A 3 0.342 4.493 2.712 1.00 0.00 C ATOM 33 CG LEU A 3 -0.592 5.658 2.373 1.00 0.00 C ATOM 34 CD1 LEU A 3 -1.527 5.247 1.234 1.00 0.00 C ATOM 35 CD2 LEU A 3 -1.421 6.025 3.608 1.00 0.00 C ATOM 0 H LEU A 3 2.180 5.512 1.450 1.00 0.00 H new ATOM 0 HA LEU A 3 1.321 5.629 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.637 3.974 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.178 3.768 3.337 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.000 6.520 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.192 6.076 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.937 4.987 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.119 4.385 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.086 6.854 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.013 5.164 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.755 6.318 4.419 1.00 0.00 H new ATOM 47 N GLU A 4 2.547 3.726 5.260 1.00 0.00 N ATOM 48 CA GLU A 4 3.356 2.610 5.841 1.00 0.00 C ATOM 49 C GLU A 4 2.608 1.279 5.689 1.00 0.00 C ATOM 50 O GLU A 4 1.458 1.246 5.294 1.00 0.00 O ATOM 51 CB GLU A 4 3.530 2.966 7.321 1.00 0.00 C ATOM 52 CG GLU A 4 4.672 3.977 7.475 1.00 0.00 C ATOM 53 CD GLU A 4 5.835 3.328 8.231 1.00 0.00 C ATOM 54 OE1 GLU A 4 6.553 2.550 7.622 1.00 0.00 O ATOM 55 OE2 GLU A 4 5.988 3.621 9.406 1.00 0.00 O ATOM 0 H GLU A 4 2.115 4.347 5.944 1.00 0.00 H new ATOM 0 HA GLU A 4 4.316 2.494 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.604 3.384 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.746 2.067 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.006 4.315 6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.321 4.858 8.013 1.00 0.00 H new ATOM 62 N ILE A 5 3.256 0.183 5.998 1.00 0.00 N ATOM 63 CA ILE A 5 2.592 -1.154 5.871 1.00 0.00 C ATOM 64 C ILE A 5 1.390 -1.254 6.826 1.00 0.00 C ATOM 65 O ILE A 5 1.348 -0.607 7.856 1.00 0.00 O ATOM 66 CB ILE A 5 3.685 -2.172 6.228 1.00 0.00 C ATOM 67 CG1 ILE A 5 3.269 -3.571 5.724 1.00 0.00 C ATOM 68 CG2 ILE A 5 3.925 -2.182 7.746 1.00 0.00 C ATOM 69 CD1 ILE A 5 2.761 -4.445 6.877 1.00 0.00 C ATOM 0 H ILE A 5 4.219 0.155 6.334 1.00 0.00 H new ATOM 0 HA ILE A 5 2.194 -1.329 4.872 1.00 0.00 H new ATOM 0 HB ILE A 5 4.619 -1.889 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.490 -3.472 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.119 -4.055 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.702 -2.908 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.241 -1.191 8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.002 -2.455 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.475 -5.424 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.550 -4.563 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.896 -3.970 7.340 1.00 0.00 H new ATOM 81 N PHE A 6 0.410 -2.056 6.472 1.00 0.00 N ATOM 82 CA PHE A 6 -0.815 -2.215 7.327 1.00 0.00 C ATOM 83 C PHE A 6 -1.447 -0.847 7.627 1.00 0.00 C ATOM 84 O PHE A 6 -1.858 -0.570 8.739 1.00 0.00 O ATOM 85 CB PHE A 6 -0.339 -2.900 8.618 1.00 0.00 C ATOM 86 CG PHE A 6 -0.132 -4.388 8.393 1.00 0.00 C ATOM 87 CD1 PHE A 6 -0.465 -4.986 7.164 1.00 0.00 C ATOM 88 CD2 PHE A 6 0.398 -5.172 9.424 1.00 0.00 C ATOM 89 CE1 PHE A 6 -0.266 -6.358 6.976 1.00 0.00 C ATOM 90 CE2 PHE A 6 0.596 -6.545 9.234 1.00 0.00 C ATOM 91 CZ PHE A 6 0.264 -7.138 8.010 1.00 0.00 C ATOM 0 H PHE A 6 0.407 -2.613 5.618 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.582 -2.806 6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.593 -2.445 8.954 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.073 -2.746 9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.875 -4.386 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.655 -4.717 10.369 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.522 -6.816 6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.005 -7.147 10.032 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.417 -8.197 7.864 1.00 0.00 H new ATOM 101 N LYS A 7 -1.533 0.003 6.634 1.00 0.00 N ATOM 102 CA LYS A 7 -2.146 1.353 6.838 1.00 0.00 C ATOM 103 C LYS A 7 -3.219 1.602 5.773 1.00 0.00 C ATOM 104 O LYS A 7 -3.112 1.126 4.660 1.00 0.00 O ATOM 105 CB LYS A 7 -0.992 2.348 6.680 1.00 0.00 C ATOM 106 CG LYS A 7 -1.490 3.766 6.981 1.00 0.00 C ATOM 107 CD LYS A 7 -0.615 4.402 8.064 1.00 0.00 C ATOM 108 CE LYS A 7 -1.195 4.082 9.446 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.526 5.032 10.381 1.00 0.00 N ATOM 0 H LYS A 7 -1.204 -0.181 5.686 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.628 1.447 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.178 2.087 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.593 2.299 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.462 4.372 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.528 3.735 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.405 4.025 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.567 5.481 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.277 4.213 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.996 3.048 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.874 4.871 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.502 4.880 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.739 6.009 10.094 1.00 0.00 H new ATOM 123 N ALA A 8 -4.250 2.346 6.108 1.00 0.00 N ATOM 124 CA ALA A 8 -5.338 2.635 5.117 1.00 0.00 C ATOM 125 C ALA A 8 -4.737 3.054 3.768 1.00 0.00 C ATOM 126 O ALA A 8 -4.022 4.034 3.676 1.00 0.00 O ATOM 127 CB ALA A 8 -6.141 3.787 5.726 1.00 0.00 C ATOM 0 H ALA A 8 -4.384 2.766 7.028 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.960 1.760 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.958 4.056 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.548 3.478 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.490 4.649 5.868 1.00 0.00 H new ATOM 133 N CYS A 9 -5.016 2.309 2.727 1.00 0.00 N ATOM 134 CA CYS A 9 -4.457 2.649 1.383 1.00 0.00 C ATOM 135 C CYS A 9 -5.577 3.036 0.415 1.00 0.00 C ATOM 136 O CYS A 9 -6.747 2.848 0.695 1.00 0.00 O ATOM 137 CB CYS A 9 -3.760 1.371 0.909 1.00 0.00 C ATOM 138 SG CYS A 9 -1.971 1.636 0.879 1.00 0.00 S ATOM 0 H CYS A 9 -5.608 1.479 2.751 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.775 3.498 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.005 0.543 1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.115 1.098 -0.085 1.00 0.00 H new ATOM 143 N ASN A 10 -5.224 3.571 -0.726 1.00 0.00 N ATOM 144 CA ASN A 10 -6.260 3.968 -1.723 1.00 0.00 C ATOM 145 C ASN A 10 -6.063 3.182 -3.026 1.00 0.00 C ATOM 146 O ASN A 10 -4.987 3.191 -3.593 1.00 0.00 O ATOM 147 CB ASN A 10 -6.038 5.464 -1.959 1.00 0.00 C ATOM 148 CG ASN A 10 -7.384 6.147 -2.212 1.00 0.00 C ATOM 149 OD1 ASN A 10 -8.005 5.932 -3.234 1.00 0.00 O ATOM 150 ND2 ASN A 10 -7.867 6.967 -1.317 1.00 0.00 N ATOM 0 H ASN A 10 -4.261 3.750 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.271 3.760 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.549 5.911 -1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.376 5.614 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.764 7.426 -1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.347 7.149 -0.458 1.00 0.00 H new ATOM 157 N PRO A 11 -7.114 2.526 -3.460 1.00 0.00 N ATOM 158 CA PRO A 11 -7.051 1.728 -4.714 1.00 0.00 C ATOM 159 C PRO A 11 -6.952 2.649 -5.939 1.00 0.00 C ATOM 160 O PRO A 11 -6.307 2.319 -6.916 1.00 0.00 O ATOM 161 CB PRO A 11 -8.365 0.951 -4.713 1.00 0.00 C ATOM 162 CG PRO A 11 -9.293 1.760 -3.866 1.00 0.00 C ATOM 163 CD PRO A 11 -8.445 2.464 -2.838 1.00 0.00 C ATOM 0 HA PRO A 11 -6.179 1.076 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.755 0.834 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.231 -0.051 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.841 2.480 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.033 1.121 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.829 3.460 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.421 1.915 -1.896 1.00 0.00 H new ATOM 171 N SER A 12 -7.579 3.801 -5.889 1.00 0.00 N ATOM 172 CA SER A 12 -7.512 4.744 -7.047 1.00 0.00 C ATOM 173 C SER A 12 -6.131 5.405 -7.110 1.00 0.00 C ATOM 174 O SER A 12 -5.545 5.533 -8.168 1.00 0.00 O ATOM 175 CB SER A 12 -8.594 5.793 -6.778 1.00 0.00 C ATOM 176 OG SER A 12 -9.848 5.303 -7.234 1.00 0.00 O ATOM 0 H SER A 12 -8.133 4.127 -5.097 1.00 0.00 H new ATOM 0 HA SER A 12 -7.669 4.236 -7.998 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.644 6.016 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.348 6.725 -7.287 1.00 0.00 H new ATOM 0 HG SER A 12 -10.543 5.972 -7.061 1.00 0.00 H new ATOM 182 N ASN A 13 -5.608 5.822 -5.983 1.00 0.00 N ATOM 183 CA ASN A 13 -4.264 6.474 -5.971 1.00 0.00 C ATOM 184 C ASN A 13 -3.371 5.833 -4.901 1.00 0.00 C ATOM 185 O ASN A 13 -3.118 6.408 -3.858 1.00 0.00 O ATOM 186 CB ASN A 13 -4.526 7.959 -5.660 1.00 0.00 C ATOM 187 CG ASN A 13 -5.475 8.099 -4.461 1.00 0.00 C ATOM 188 OD1 ASN A 13 -6.679 8.031 -4.614 1.00 0.00 O ATOM 189 ND2 ASN A 13 -4.982 8.300 -3.268 1.00 0.00 N ATOM 0 H ASN A 13 -6.055 5.738 -5.070 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.744 6.357 -6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.584 8.463 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.959 8.448 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.607 8.399 -2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.972 8.357 -3.137 1.00 0.00 H new ATOM 196 N ASP A 14 -2.886 4.642 -5.157 1.00 0.00 N ATOM 197 CA ASP A 14 -2.001 3.961 -4.160 1.00 0.00 C ATOM 198 C ASP A 14 -0.742 4.805 -3.916 1.00 0.00 C ATOM 199 O ASP A 14 -0.126 5.299 -4.843 1.00 0.00 O ATOM 200 CB ASP A 14 -1.645 2.598 -4.776 1.00 0.00 C ATOM 201 CG ASP A 14 -0.850 2.785 -6.075 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.467 3.065 -7.091 1.00 0.00 O ATOM 203 OD2 ASP A 14 0.360 2.635 -6.033 1.00 0.00 O ATOM 0 H ASP A 14 -3.064 4.113 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.491 3.835 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.060 2.013 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.556 2.035 -4.978 1.00 0.00 H new ATOM 208 N GLN A 15 -0.369 4.985 -2.675 1.00 0.00 N ATOM 209 CA GLN A 15 0.840 5.808 -2.366 1.00 0.00 C ATOM 210 C GLN A 15 1.658 5.158 -1.242 1.00 0.00 C ATOM 211 O GLN A 15 2.122 5.824 -0.337 1.00 0.00 O ATOM 212 CB GLN A 15 0.284 7.167 -1.923 1.00 0.00 C ATOM 213 CG GLN A 15 0.582 8.219 -2.995 1.00 0.00 C ATOM 214 CD GLN A 15 1.925 8.890 -2.695 1.00 0.00 C ATOM 215 OE1 GLN A 15 1.981 9.869 -1.977 1.00 0.00 O ATOM 216 NE2 GLN A 15 3.018 8.401 -3.217 1.00 0.00 N ATOM 0 H GLN A 15 -0.849 4.598 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 15 1.510 5.900 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.791 7.095 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.732 7.463 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.609 7.752 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.212 8.965 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.972 7.579 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.917 8.841 -3.022 1.00 0.00 H new ATOM 225 N CYS A 16 1.846 3.861 -1.299 1.00 0.00 N ATOM 226 CA CYS A 16 2.642 3.169 -0.236 1.00 0.00 C ATOM 227 C CYS A 16 4.111 3.599 -0.309 1.00 0.00 C ATOM 228 O CYS A 16 4.566 4.118 -1.312 1.00 0.00 O ATOM 229 CB CYS A 16 2.508 1.674 -0.535 1.00 0.00 C ATOM 230 SG CYS A 16 1.031 1.026 0.286 1.00 0.00 S ATOM 0 H CYS A 16 1.484 3.253 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 16 2.286 3.415 0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.440 1.512 -1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.394 1.142 -0.188 1.00 0.00 H new ATOM 235 N CYS A 17 4.853 3.388 0.748 1.00 0.00 N ATOM 236 CA CYS A 17 6.295 3.784 0.744 1.00 0.00 C ATOM 237 C CYS A 17 7.089 2.868 -0.194 1.00 0.00 C ATOM 238 O CYS A 17 7.272 1.694 0.077 1.00 0.00 O ATOM 239 CB CYS A 17 6.766 3.621 2.194 1.00 0.00 C ATOM 240 SG CYS A 17 5.733 4.628 3.292 1.00 0.00 S ATOM 0 H CYS A 17 4.524 2.959 1.613 1.00 0.00 H new ATOM 0 HA CYS A 17 6.441 4.804 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.711 2.573 2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.810 3.923 2.283 1.00 0.00 H new ATOM 245 N LYS A 18 7.559 3.398 -1.298 1.00 0.00 N ATOM 246 CA LYS A 18 8.341 2.564 -2.263 1.00 0.00 C ATOM 247 C LYS A 18 9.703 2.186 -1.665 1.00 0.00 C ATOM 248 O LYS A 18 10.235 1.129 -1.948 1.00 0.00 O ATOM 249 CB LYS A 18 8.523 3.438 -3.507 1.00 0.00 C ATOM 250 CG LYS A 18 8.763 2.543 -4.725 1.00 0.00 C ATOM 251 CD LYS A 18 8.840 3.403 -5.989 1.00 0.00 C ATOM 252 CE LYS A 18 10.190 3.176 -6.681 1.00 0.00 C ATOM 253 NZ LYS A 18 9.868 3.036 -8.131 1.00 0.00 N ATOM 0 H LYS A 18 7.434 4.373 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 18 7.829 1.631 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.639 4.055 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.365 4.116 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.688 1.981 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.958 1.814 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.025 3.147 -6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.723 4.456 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.867 4.012 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.683 2.282 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.745 2.878 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.228 2.228 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.407 3.904 -8.470 1.00 0.00 H new ATOM 267 N SER A 19 10.267 3.035 -0.836 1.00 0.00 N ATOM 268 CA SER A 19 11.590 2.715 -0.212 1.00 0.00 C ATOM 269 C SER A 19 11.474 1.448 0.650 1.00 0.00 C ATOM 270 O SER A 19 12.400 0.664 0.738 1.00 0.00 O ATOM 271 CB SER A 19 11.932 3.927 0.656 1.00 0.00 C ATOM 272 OG SER A 19 13.313 3.890 0.990 1.00 0.00 O ATOM 0 H SER A 19 9.868 3.934 -0.566 1.00 0.00 H new ATOM 0 HA SER A 19 12.361 2.524 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.700 4.848 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.326 3.922 1.562 1.00 0.00 H new ATOM 0 HG SER A 19 13.536 4.666 1.545 1.00 0.00 H new ATOM 278 N SER A 20 10.336 1.237 1.272 1.00 0.00 N ATOM 279 CA SER A 20 10.149 0.015 2.117 1.00 0.00 C ATOM 280 C SER A 20 9.536 -1.129 1.289 1.00 0.00 C ATOM 281 O SER A 20 9.126 -2.138 1.833 1.00 0.00 O ATOM 282 CB SER A 20 9.187 0.446 3.226 1.00 0.00 C ATOM 283 OG SER A 20 9.875 1.286 4.145 1.00 0.00 O ATOM 0 H SER A 20 9.529 1.860 1.230 1.00 0.00 H new ATOM 0 HA SER A 20 11.094 -0.357 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.335 0.976 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.792 -0.430 3.741 1.00 0.00 H new ATOM 0 HG SER A 20 9.261 1.565 4.856 1.00 0.00 H new ATOM 289 N LYS A 21 9.474 -0.979 -0.019 1.00 0.00 N ATOM 290 CA LYS A 21 8.893 -2.048 -0.895 1.00 0.00 C ATOM 291 C LYS A 21 7.478 -2.419 -0.427 1.00 0.00 C ATOM 292 O LYS A 21 7.212 -3.544 -0.045 1.00 0.00 O ATOM 293 CB LYS A 21 9.848 -3.247 -0.779 1.00 0.00 C ATOM 294 CG LYS A 21 11.291 -2.804 -1.056 1.00 0.00 C ATOM 295 CD LYS A 21 11.418 -2.312 -2.502 1.00 0.00 C ATOM 296 CE LYS A 21 12.449 -1.179 -2.570 1.00 0.00 C ATOM 297 NZ LYS A 21 13.585 -1.728 -3.365 1.00 0.00 N ATOM 0 H LYS A 21 9.805 -0.153 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 21 8.799 -1.717 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.778 -3.682 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.556 -4.023 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.575 -2.009 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.975 -3.635 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.722 -3.133 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.452 -1.960 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.029 -0.293 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.774 -0.882 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.329 -1.006 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.971 -2.566 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.249 -1.995 -4.312 1.00 0.00 H new ATOM 311 N LEU A 22 6.571 -1.474 -0.457 1.00 0.00 N ATOM 312 CA LEU A 22 5.168 -1.753 -0.019 1.00 0.00 C ATOM 313 C LEU A 22 4.181 -1.357 -1.123 1.00 0.00 C ATOM 314 O LEU A 22 4.460 -0.494 -1.935 1.00 0.00 O ATOM 315 CB LEU A 22 4.953 -0.887 1.226 1.00 0.00 C ATOM 316 CG LEU A 22 5.844 -1.382 2.370 1.00 0.00 C ATOM 317 CD1 LEU A 22 5.799 -0.375 3.521 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.341 -2.743 2.864 1.00 0.00 C ATOM 0 H LEU A 22 6.743 -0.518 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 22 5.007 -2.811 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.183 0.154 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.906 -0.923 1.528 1.00 0.00 H new ATOM 0 HG LEU A 22 6.869 -1.484 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.432 -0.725 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.159 0.593 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.773 -0.274 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.977 -3.092 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.316 -2.644 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.372 -3.462 2.045 1.00 0.00 H new ATOM 330 N VAL A 23 3.029 -1.981 -1.156 1.00 0.00 N ATOM 331 CA VAL A 23 2.017 -1.644 -2.207 1.00 0.00 C ATOM 332 C VAL A 23 0.608 -1.633 -1.601 1.00 0.00 C ATOM 333 O VAL A 23 0.268 -2.470 -0.787 1.00 0.00 O ATOM 334 CB VAL A 23 2.138 -2.747 -3.271 1.00 0.00 C ATOM 335 CG1 VAL A 23 3.468 -2.601 -4.016 1.00 0.00 C ATOM 336 CG2 VAL A 23 2.078 -4.131 -2.611 1.00 0.00 C ATOM 0 H VAL A 23 2.745 -2.709 -0.501 1.00 0.00 H new ATOM 0 HA VAL A 23 2.190 -0.656 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 23 1.310 -2.649 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.551 -3.384 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.508 -1.626 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.293 -2.689 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.165 -4.903 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.898 -4.231 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.128 -4.244 -2.088 1.00 0.00 H new ATOM 346 N CYS A 24 -0.213 -0.689 -1.994 1.00 0.00 N ATOM 347 CA CYS A 24 -1.603 -0.625 -1.441 1.00 0.00 C ATOM 348 C CYS A 24 -2.415 -1.829 -1.926 1.00 0.00 C ATOM 349 O CYS A 24 -2.586 -2.034 -3.113 1.00 0.00 O ATOM 350 CB CYS A 24 -2.204 0.673 -1.986 1.00 0.00 C ATOM 351 SG CYS A 24 -1.567 2.085 -1.049 1.00 0.00 S ATOM 0 H CYS A 24 0.018 0.038 -2.671 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.609 -0.645 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.956 0.784 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.291 0.639 -1.916 1.00 0.00 H new ATOM 356 N SER A 25 -2.917 -2.624 -1.015 1.00 0.00 N ATOM 357 CA SER A 25 -3.721 -3.813 -1.421 1.00 0.00 C ATOM 358 C SER A 25 -5.205 -3.554 -1.151 1.00 0.00 C ATOM 359 O SER A 25 -5.645 -3.546 -0.017 1.00 0.00 O ATOM 360 CB SER A 25 -3.205 -4.965 -0.555 1.00 0.00 C ATOM 361 OG SER A 25 -2.030 -5.507 -1.143 1.00 0.00 O ATOM 0 H SER A 25 -2.804 -2.500 -0.009 1.00 0.00 H new ATOM 0 HA SER A 25 -3.623 -4.037 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.990 -4.609 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.969 -5.737 -0.464 1.00 0.00 H new ATOM 0 HG SER A 25 -1.787 -6.338 -0.683 1.00 0.00 H new ATOM 367 N ARG A 26 -5.978 -3.344 -2.189 1.00 0.00 N ATOM 368 CA ARG A 26 -7.442 -3.089 -1.998 1.00 0.00 C ATOM 369 C ARG A 26 -8.120 -4.317 -1.372 1.00 0.00 C ATOM 370 O ARG A 26 -9.111 -4.196 -0.677 1.00 0.00 O ATOM 371 CB ARG A 26 -8.000 -2.810 -3.401 1.00 0.00 C ATOM 372 CG ARG A 26 -7.858 -4.054 -4.286 1.00 0.00 C ATOM 373 CD ARG A 26 -8.607 -3.831 -5.603 1.00 0.00 C ATOM 374 NE ARG A 26 -10.006 -4.270 -5.332 1.00 0.00 N ATOM 375 CZ ARG A 26 -10.799 -4.572 -6.325 1.00 0.00 C ATOM 376 NH1 ARG A 26 -10.784 -5.779 -6.827 1.00 0.00 N ATOM 377 NH2 ARG A 26 -11.604 -3.666 -6.815 1.00 0.00 N ATOM 0 H ARG A 26 -5.660 -3.338 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.625 -2.252 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.049 -2.522 -3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.468 -1.972 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.805 -4.255 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.258 -4.927 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.573 -2.784 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.162 -4.409 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.344 -4.334 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.154 -6.483 -6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.403 -6.017 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.612 -2.725 -6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.224 -3.900 -7.590 1.00 0.00 H new ATOM 391 N LYS A 27 -7.584 -5.494 -1.606 1.00 0.00 N ATOM 392 CA LYS A 27 -8.187 -6.729 -1.017 1.00 0.00 C ATOM 393 C LYS A 27 -8.042 -6.702 0.510 1.00 0.00 C ATOM 394 O LYS A 27 -8.972 -7.003 1.233 1.00 0.00 O ATOM 395 CB LYS A 27 -7.392 -7.893 -1.618 1.00 0.00 C ATOM 396 CG LYS A 27 -7.956 -8.248 -2.999 1.00 0.00 C ATOM 397 CD LYS A 27 -7.031 -7.704 -4.093 1.00 0.00 C ATOM 398 CE LYS A 27 -5.843 -8.655 -4.285 1.00 0.00 C ATOM 399 NZ LYS A 27 -5.942 -9.129 -5.695 1.00 0.00 N ATOM 0 H LYS A 27 -6.755 -5.650 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.251 -6.817 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.340 -7.621 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.445 -8.760 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.052 -9.329 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.955 -7.828 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.580 -7.599 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.674 -6.711 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.897 -8.143 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.890 -9.489 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.160 -9.784 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.849 -9.619 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.886 -8.315 -6.340 1.00 0.00 H new ATOM 413 N THR A 28 -6.884 -6.325 1.002 1.00 0.00 N ATOM 414 CA THR A 28 -6.678 -6.258 2.484 1.00 0.00 C ATOM 415 C THR A 28 -7.132 -4.893 3.030 1.00 0.00 C ATOM 416 O THR A 28 -7.235 -4.709 4.226 1.00 0.00 O ATOM 417 CB THR A 28 -5.170 -6.447 2.700 1.00 0.00 C ATOM 418 OG1 THR A 28 -4.462 -5.373 2.093 1.00 0.00 O ATOM 419 CG2 THR A 28 -4.717 -7.774 2.085 1.00 0.00 C ATOM 0 H THR A 28 -6.074 -6.061 0.441 1.00 0.00 H new ATOM 0 HA THR A 28 -7.259 -7.018 3.006 1.00 0.00 H new ATOM 0 HB THR A 28 -4.962 -6.460 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.004 -4.851 2.784 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.646 -7.901 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.253 -8.596 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.929 -7.771 1.016 1.00 0.00 H new ATOM 427 N ARG A 29 -7.402 -3.941 2.157 1.00 0.00 N ATOM 428 CA ARG A 29 -7.854 -2.576 2.591 1.00 0.00 C ATOM 429 C ARG A 29 -6.704 -1.777 3.230 1.00 0.00 C ATOM 430 O ARG A 29 -6.936 -0.852 3.988 1.00 0.00 O ATOM 431 CB ARG A 29 -8.988 -2.805 3.600 1.00 0.00 C ATOM 432 CG ARG A 29 -10.058 -1.724 3.421 1.00 0.00 C ATOM 433 CD ARG A 29 -11.445 -2.374 3.397 1.00 0.00 C ATOM 434 NE ARG A 29 -12.156 -1.806 4.577 1.00 0.00 N ATOM 435 CZ ARG A 29 -13.266 -1.137 4.410 1.00 0.00 C ATOM 436 NH1 ARG A 29 -13.222 0.127 4.078 1.00 0.00 N ATOM 437 NH2 ARG A 29 -14.417 -1.733 4.576 1.00 0.00 N ATOM 0 H ARG A 29 -7.326 -4.058 1.147 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.191 -1.989 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.426 -3.792 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.595 -2.778 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.998 -1.001 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.885 -1.177 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.972 -2.146 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.374 -3.460 3.464 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.777 -1.939 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.322 0.590 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.088 0.650 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.448 -2.719 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.284 -1.212 4.446 1.00 0.00 H new ATOM 451 N TRP A 30 -5.470 -2.102 2.915 1.00 0.00 N ATOM 452 CA TRP A 30 -4.320 -1.333 3.491 1.00 0.00 C ATOM 453 C TRP A 30 -3.009 -1.676 2.769 1.00 0.00 C ATOM 454 O TRP A 30 -2.959 -2.558 1.931 1.00 0.00 O ATOM 455 CB TRP A 30 -4.246 -1.704 4.986 1.00 0.00 C ATOM 456 CG TRP A 30 -4.112 -3.186 5.182 1.00 0.00 C ATOM 457 CD1 TRP A 30 -3.140 -3.967 4.656 1.00 0.00 C ATOM 458 CD2 TRP A 30 -4.956 -4.067 5.978 1.00 0.00 C ATOM 459 NE1 TRP A 30 -3.341 -5.272 5.069 1.00 0.00 N ATOM 460 CE2 TRP A 30 -4.449 -5.384 5.886 1.00 0.00 C ATOM 461 CE3 TRP A 30 -6.104 -3.852 6.758 1.00 0.00 C ATOM 462 CZ2 TRP A 30 -5.060 -6.450 6.546 1.00 0.00 C ATOM 463 CZ3 TRP A 30 -6.722 -4.922 7.425 1.00 0.00 C ATOM 464 CH2 TRP A 30 -6.201 -6.219 7.319 1.00 0.00 C ATOM 0 H TRP A 30 -5.211 -2.863 2.287 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.468 -0.260 3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.397 -1.198 5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.142 -1.349 5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -2.338 -3.627 4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.744 -6.055 4.803 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -6.514 -2.857 6.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.654 -7.447 6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.604 -4.745 8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.681 -7.038 7.834 1.00 0.00 H new ATOM 475 N CYS A 31 -1.949 -0.972 3.092 1.00 0.00 N ATOM 476 CA CYS A 31 -0.628 -1.231 2.436 1.00 0.00 C ATOM 477 C CYS A 31 -0.105 -2.621 2.814 1.00 0.00 C ATOM 478 O CYS A 31 -0.220 -3.050 3.947 1.00 0.00 O ATOM 479 CB CYS A 31 0.304 -0.144 2.978 1.00 0.00 C ATOM 480 SG CYS A 31 1.740 0.025 1.889 1.00 0.00 S ATOM 0 H CYS A 31 -1.943 -0.225 3.786 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.699 -1.206 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.228 0.805 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.628 -0.399 3.987 1.00 0.00 H new ATOM 485 N LYS A 32 0.469 -3.326 1.872 1.00 0.00 N ATOM 486 CA LYS A 32 1.001 -4.690 2.169 1.00 0.00 C ATOM 487 C LYS A 32 2.351 -4.898 1.477 1.00 0.00 C ATOM 488 O LYS A 32 2.564 -4.449 0.367 1.00 0.00 O ATOM 489 CB LYS A 32 -0.045 -5.652 1.602 1.00 0.00 C ATOM 490 CG LYS A 32 0.237 -7.072 2.101 1.00 0.00 C ATOM 491 CD LYS A 32 -1.082 -7.836 2.249 1.00 0.00 C ATOM 492 CE LYS A 32 -1.335 -8.145 3.728 1.00 0.00 C ATOM 493 NZ LYS A 32 -0.979 -9.583 3.895 1.00 0.00 N ATOM 0 H LYS A 32 0.592 -3.015 0.908 1.00 0.00 H new ATOM 0 HA LYS A 32 1.166 -4.845 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.044 -5.340 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.023 -5.628 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.893 -7.591 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.757 -7.035 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.904 -7.244 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.044 -8.762 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.725 -7.511 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.376 -7.964 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.128 -9.865 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.580 -10.164 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.019 -9.725 3.641 1.00 0.00 H new ATOM 507 N TYR A 33 3.261 -5.579 2.130 1.00 0.00 N ATOM 508 CA TYR A 33 4.608 -5.829 1.520 1.00 0.00 C ATOM 509 C TYR A 33 4.463 -6.491 0.143 1.00 0.00 C ATOM 510 O TYR A 33 3.566 -7.283 -0.087 1.00 0.00 O ATOM 511 CB TYR A 33 5.360 -6.758 2.495 1.00 0.00 C ATOM 512 CG TYR A 33 4.509 -7.958 2.870 1.00 0.00 C ATOM 513 CD1 TYR A 33 4.436 -9.065 2.015 1.00 0.00 C ATOM 514 CD2 TYR A 33 3.799 -7.961 4.078 1.00 0.00 C ATOM 515 CE1 TYR A 33 3.652 -10.171 2.367 1.00 0.00 C ATOM 516 CE2 TYR A 33 3.015 -9.067 4.428 1.00 0.00 C ATOM 517 CZ TYR A 33 2.941 -10.172 3.573 1.00 0.00 C ATOM 518 OH TYR A 33 2.167 -11.261 3.918 1.00 0.00 O ATOM 0 H TYR A 33 3.130 -5.974 3.061 1.00 0.00 H new ATOM 0 HA TYR A 33 5.151 -4.896 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.289 -7.096 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.631 -6.205 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.984 -9.066 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.857 -7.109 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.596 -11.024 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.467 -9.067 5.359 1.00 0.00 H new ATOM 0 HH TYR A 33 1.742 -11.098 4.786 1.00 0.00 H new ATOM 528 N GLN A 34 5.340 -6.165 -0.774 1.00 0.00 N ATOM 529 CA GLN A 34 5.262 -6.768 -2.140 1.00 0.00 C ATOM 530 C GLN A 34 5.604 -8.262 -2.080 1.00 0.00 C ATOM 531 O GLN A 34 6.545 -8.665 -1.422 1.00 0.00 O ATOM 532 CB GLN A 34 6.299 -6.012 -2.975 1.00 0.00 C ATOM 533 CG GLN A 34 6.093 -6.333 -4.458 1.00 0.00 C ATOM 534 CD GLN A 34 6.451 -5.108 -5.302 1.00 0.00 C ATOM 535 OE1 GLN A 34 5.585 -4.474 -5.872 1.00 0.00 O ATOM 536 NE2 GLN A 34 7.701 -4.744 -5.408 1.00 0.00 N ATOM 0 H GLN A 34 6.107 -5.507 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 34 4.263 -6.687 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.204 -4.939 -2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.306 -6.295 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.714 -7.181 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.057 -6.621 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.429 -5.275 -4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.949 -3.929 -5.969 1.00 0.00 H new ATOM 545 N ILE A 35 4.844 -9.082 -2.763 1.00 0.00 N ATOM 546 CA ILE A 35 5.119 -10.557 -2.752 1.00 0.00 C ATOM 547 C ILE A 35 5.484 -11.053 -4.161 1.00 0.00 C ATOM 548 O ILE A 35 6.100 -12.102 -4.252 1.00 0.00 O ATOM 549 CB ILE A 35 3.819 -11.219 -2.264 1.00 0.00 C ATOM 550 CG1 ILE A 35 2.651 -10.849 -3.190 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.504 -10.749 -0.842 1.00 0.00 C ATOM 552 CD1 ILE A 35 1.948 -12.123 -3.665 1.00 0.00 C ATOM 553 OXT ILE A 35 5.141 -10.380 -5.122 1.00 0.00 O ATOM 0 H ILE A 35 4.045 -8.796 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 35 5.962 -10.802 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 35 3.953 -12.301 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.945 -10.207 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.018 -10.283 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.583 -11.220 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.322 -11.026 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.382 -9.666 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.120 -11.858 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.656 -12.748 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.567 -12.671 -2.803 1.00 0.00 H new TER 565 ILE A 35