USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 279 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 Single : A 1 GLU N :NH3+ -169:sc=-0.00334 (180deg=-0.217) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=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 89:sc= 0.392 USER MOD Single : A 20 SER OG : rot 21:sc= 1.2 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0516 (180deg=-0.382) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -99:sc= -0.411 (180deg=-1.99!) USER MOD Single : A 28 THR OG1 : rot 149:sc= 1.84 USER MOD Single : A 32 LYS NZ :NH3+ 137:sc= -0.122 (180deg=-0.749) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.646 0.252 0.108 1.00 0.00 N ATOM 2 CA GLU A 1 2.456 0.301 -1.104 1.00 0.00 C ATOM 3 C GLU A 1 3.213 -1.009 -1.305 1.00 0.00 C ATOM 4 O GLU A 1 3.366 -1.484 -2.431 1.00 0.00 O ATOM 5 CB GLU A 1 3.443 1.469 -1.038 1.00 0.00 C ATOM 6 CG GLU A 1 2.774 2.833 -1.055 1.00 0.00 C ATOM 7 CD GLU A 1 1.927 3.052 -2.294 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.756 2.619 -2.297 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.437 3.657 -3.260 1.00 0.00 O ATOM 0 H1 GLU A 1 1.002 1.069 0.129 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.090 -0.627 0.119 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.267 0.279 0.942 1.00 0.00 H new ATOM 0 HA GLU A 1 1.787 0.448 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.040 1.378 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.131 1.401 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.148 2.938 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.538 3.609 -1.000 1.00 0.00 H new ATOM 16 N CYS A 2 3.687 -1.587 -0.207 1.00 0.00 N ATOM 17 CA CYS A 2 4.429 -2.840 -0.260 1.00 0.00 C ATOM 18 C CYS A 2 4.105 -3.716 0.946 1.00 0.00 C ATOM 19 O CYS A 2 3.762 -3.215 2.017 1.00 0.00 O ATOM 20 CB CYS A 2 5.933 -2.564 -0.315 1.00 0.00 C ATOM 21 SG CYS A 2 6.501 -1.300 0.868 1.00 0.00 S ATOM 0 H CYS A 2 3.570 -1.207 0.732 1.00 0.00 H new ATOM 0 HA CYS A 2 4.131 -3.372 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.469 -3.493 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.197 -2.247 -1.324 1.00 0.00 H new ATOM 26 N LEU A 3 4.217 -5.027 0.765 1.00 0.00 N ATOM 27 CA LEU A 3 3.937 -5.975 1.838 1.00 0.00 C ATOM 28 C LEU A 3 4.891 -5.768 3.010 1.00 0.00 C ATOM 29 O LEU A 3 5.990 -6.321 3.032 1.00 0.00 O ATOM 30 CB LEU A 3 4.050 -7.410 1.321 1.00 0.00 C ATOM 31 CG LEU A 3 5.283 -7.723 0.472 1.00 0.00 C ATOM 32 CD1 LEU A 3 6.266 -8.579 1.255 1.00 0.00 C ATOM 33 CD2 LEU A 3 4.879 -8.417 -0.820 1.00 0.00 C ATOM 0 H LEU A 3 4.500 -5.458 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 3 2.919 -5.801 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.042 -8.085 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.161 -7.633 0.731 1.00 0.00 H new ATOM 0 HG LEU A 3 5.774 -6.784 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.137 -8.792 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.580 -8.044 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.786 -9.515 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.769 -8.632 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.364 -9.349 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.214 -7.768 -1.389 1.00 0.00 H new ATOM 45 N GLU A 4 4.462 -4.970 3.982 1.00 0.00 N ATOM 46 CA GLU A 4 5.279 -4.692 5.158 1.00 0.00 C ATOM 47 C GLU A 4 4.990 -5.696 6.271 1.00 0.00 C ATOM 48 O GLU A 4 5.466 -6.831 6.236 1.00 0.00 O ATOM 49 CB GLU A 4 5.022 -3.270 5.660 1.00 0.00 C ATOM 50 CG GLU A 4 5.637 -2.194 4.781 1.00 0.00 C ATOM 51 CD GLU A 4 5.121 -0.806 5.110 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.132 -0.436 6.302 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.707 -0.091 4.174 1.00 0.00 O ATOM 0 H GLU A 4 3.554 -4.505 3.979 1.00 0.00 H new ATOM 0 HA GLU A 4 6.327 -4.785 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.946 -3.105 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.419 -3.173 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.721 -2.211 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.424 -2.418 3.736 1.00 0.00 H new ATOM 60 N ILE A 5 4.208 -5.269 7.257 1.00 0.00 N ATOM 61 CA ILE A 5 3.856 -6.129 8.379 1.00 0.00 C ATOM 62 C ILE A 5 2.574 -6.906 8.095 1.00 0.00 C ATOM 63 O ILE A 5 1.631 -6.375 7.507 1.00 0.00 O ATOM 64 CB ILE A 5 3.674 -5.318 9.675 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.568 -6.256 10.879 1.00 0.00 C ATOM 66 CG2 ILE A 5 2.441 -4.432 9.577 1.00 0.00 C ATOM 67 CD1 ILE A 5 4.877 -6.449 11.612 1.00 0.00 C ATOM 0 H ILE A 5 3.806 -4.332 7.301 1.00 0.00 H new ATOM 0 HA ILE A 5 4.681 -6.829 8.511 1.00 0.00 H new ATOM 0 HB ILE A 5 4.547 -4.679 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.827 -5.860 11.574 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.203 -7.226 10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.326 -3.865 10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.554 -3.743 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.559 -5.052 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.727 -7.125 12.453 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.615 -6.874 10.932 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.234 -5.487 11.979 1.00 0.00 H new ATOM 79 N PHE A 6 2.546 -8.165 8.517 1.00 0.00 N ATOM 80 CA PHE A 6 1.380 -9.016 8.309 1.00 0.00 C ATOM 81 C PHE A 6 1.007 -9.075 6.831 1.00 0.00 C ATOM 82 O PHE A 6 -0.108 -9.457 6.475 1.00 0.00 O ATOM 83 CB PHE A 6 0.194 -8.500 9.127 1.00 0.00 C ATOM 84 CG PHE A 6 0.481 -8.392 10.597 1.00 0.00 C ATOM 85 CD1 PHE A 6 0.719 -9.527 11.355 1.00 0.00 C ATOM 86 CD2 PHE A 6 0.512 -7.155 11.221 1.00 0.00 C ATOM 87 CE1 PHE A 6 0.983 -9.431 12.708 1.00 0.00 C ATOM 88 CE2 PHE A 6 0.776 -7.053 12.574 1.00 0.00 C ATOM 89 CZ PHE A 6 1.011 -8.192 13.319 1.00 0.00 C ATOM 0 H PHE A 6 3.318 -8.619 9.005 1.00 0.00 H new ATOM 0 HA PHE A 6 1.631 -10.023 8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.099 -7.520 8.749 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.656 -9.166 8.979 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.698 -10.498 10.883 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.328 -6.261 10.644 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.167 -10.324 13.287 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.798 -6.083 13.048 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.216 -8.114 14.376 1.00 0.00 H new ATOM 99 N LYS A 7 1.947 -8.693 5.974 1.00 0.00 N ATOM 100 CA LYS A 7 1.720 -8.702 4.534 1.00 0.00 C ATOM 101 C LYS A 7 2.361 -9.927 3.889 1.00 0.00 C ATOM 102 O LYS A 7 3.533 -10.220 4.120 1.00 0.00 O ATOM 103 CB LYS A 7 2.281 -7.427 3.900 1.00 0.00 C ATOM 104 CG LYS A 7 1.745 -6.151 4.525 1.00 0.00 C ATOM 105 CD LYS A 7 0.283 -6.291 4.914 1.00 0.00 C ATOM 106 CE LYS A 7 -0.323 -4.950 5.297 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.684 -5.103 5.883 1.00 0.00 N ATOM 0 H LYS A 7 2.875 -8.373 6.252 1.00 0.00 H new ATOM 0 HA LYS A 7 0.644 -8.743 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.368 -7.436 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.046 -7.427 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.335 -5.902 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.858 -5.325 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.276 -6.720 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.193 -6.984 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.327 -4.449 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.377 -4.311 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.063 -4.167 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.312 -5.558 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.629 -5.692 6.739 1.00 0.00 H new ATOM 121 N ALA A 8 1.583 -10.639 3.079 1.00 0.00 N ATOM 122 CA ALA A 8 2.077 -11.829 2.399 1.00 0.00 C ATOM 123 C ALA A 8 3.203 -11.482 1.432 1.00 0.00 C ATOM 124 O ALA A 8 3.148 -10.468 0.736 1.00 0.00 O ATOM 125 CB ALA A 8 0.941 -12.525 1.662 1.00 0.00 C ATOM 0 H ALA A 8 0.609 -10.412 2.879 1.00 0.00 H new ATOM 0 HA ALA A 8 2.477 -12.508 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.324 -13.413 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.170 -12.817 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.515 -11.845 0.925 1.00 0.00 H new ATOM 131 N CYS A 9 4.226 -12.330 1.393 1.00 0.00 N ATOM 132 CA CYS A 9 5.367 -12.113 0.512 1.00 0.00 C ATOM 133 C CYS A 9 5.397 -13.151 -0.606 1.00 0.00 C ATOM 134 O CYS A 9 4.975 -14.291 -0.419 1.00 0.00 O ATOM 135 CB CYS A 9 6.672 -12.169 1.309 1.00 0.00 C ATOM 136 SG CYS A 9 6.970 -13.765 2.136 1.00 0.00 S ATOM 0 H CYS A 9 4.288 -13.174 1.962 1.00 0.00 H new ATOM 0 HA CYS A 9 5.264 -11.125 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.505 -11.959 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.661 -11.379 2.060 1.00 0.00 H new ATOM 141 N ASN A 10 5.898 -12.746 -1.768 1.00 0.00 N ATOM 142 CA ASN A 10 5.983 -13.641 -2.917 1.00 0.00 C ATOM 143 C ASN A 10 7.045 -14.714 -2.694 1.00 0.00 C ATOM 144 O ASN A 10 8.038 -14.504 -1.998 1.00 0.00 O ATOM 145 CB ASN A 10 6.302 -12.847 -4.186 1.00 0.00 C ATOM 146 CG ASN A 10 5.205 -12.956 -5.227 1.00 0.00 C ATOM 147 OD1 ASN A 10 4.042 -12.660 -4.952 1.00 0.00 O ATOM 148 ND2 ASN A 10 5.571 -13.382 -6.430 1.00 0.00 N ATOM 0 H ASN A 10 6.251 -11.805 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 10 5.017 -14.131 -3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.451 -11.799 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.239 -13.207 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.876 -13.475 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.547 -13.616 -6.613 1.00 0.00 H new ATOM 155 N PRO A 11 6.832 -15.892 -3.299 1.00 0.00 N ATOM 156 CA PRO A 11 7.760 -17.020 -3.183 1.00 0.00 C ATOM 157 C PRO A 11 9.073 -16.769 -3.917 1.00 0.00 C ATOM 158 O PRO A 11 10.109 -17.335 -3.567 1.00 0.00 O ATOM 159 CB PRO A 11 6.996 -18.176 -3.834 1.00 0.00 C ATOM 160 CG PRO A 11 6.051 -17.520 -4.780 1.00 0.00 C ATOM 161 CD PRO A 11 5.669 -16.212 -4.144 1.00 0.00 C ATOM 0 HA PRO A 11 8.045 -17.208 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.672 -18.853 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.464 -18.768 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.520 -17.360 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.173 -18.143 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.490 -15.439 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.757 -16.303 -3.555 1.00 0.00 H new ATOM 169 N SER A 12 9.022 -15.917 -4.936 1.00 0.00 N ATOM 170 CA SER A 12 10.208 -15.594 -5.722 1.00 0.00 C ATOM 171 C SER A 12 10.910 -14.361 -5.162 1.00 0.00 C ATOM 172 O SER A 12 12.130 -14.234 -5.253 1.00 0.00 O ATOM 173 CB SER A 12 9.827 -15.359 -7.185 1.00 0.00 C ATOM 174 OG SER A 12 10.848 -15.812 -8.057 1.00 0.00 O ATOM 0 H SER A 12 8.173 -15.438 -5.237 1.00 0.00 H new ATOM 0 HA SER A 12 10.894 -16.439 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.896 -15.879 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.647 -14.297 -7.351 1.00 0.00 H new ATOM 0 HG SER A 12 10.580 -15.652 -8.986 1.00 0.00 H new ATOM 180 N ASN A 13 10.129 -13.454 -4.584 1.00 0.00 N ATOM 181 CA ASN A 13 10.676 -12.230 -4.010 1.00 0.00 C ATOM 182 C ASN A 13 11.135 -12.460 -2.573 1.00 0.00 C ATOM 183 O ASN A 13 12.330 -12.423 -2.279 1.00 0.00 O ATOM 184 CB ASN A 13 9.631 -11.113 -4.050 1.00 0.00 C ATOM 185 CG ASN A 13 9.583 -10.415 -5.396 1.00 0.00 C ATOM 186 OD1 ASN A 13 8.648 -10.607 -6.174 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.592 -9.599 -5.676 1.00 0.00 N ATOM 0 H ASN A 13 9.116 -13.543 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 13 11.540 -11.933 -4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.649 -11.529 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.854 -10.382 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.613 -9.101 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.346 -9.470 -5.001 1.00 0.00 H new ATOM 194 N ASP A 14 10.178 -12.699 -1.683 1.00 0.00 N ATOM 195 CA ASP A 14 10.483 -12.937 -0.278 1.00 0.00 C ATOM 196 C ASP A 14 11.137 -11.711 0.352 1.00 0.00 C ATOM 197 O ASP A 14 11.154 -11.564 1.574 1.00 0.00 O ATOM 198 CB ASP A 14 11.401 -14.152 -0.132 1.00 0.00 C ATOM 199 CG ASP A 14 10.930 -15.335 -0.953 1.00 0.00 C ATOM 200 OD1 ASP A 14 9.922 -15.962 -0.566 1.00 0.00 O ATOM 201 OD2 ASP A 14 11.570 -15.636 -1.983 1.00 0.00 O ATOM 0 H ASP A 14 9.184 -12.733 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 14 9.546 -13.134 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.411 -13.880 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.454 -14.440 0.918 1.00 0.00 H new ATOM 206 N GLN A 15 11.675 -10.835 -0.491 1.00 0.00 N ATOM 207 CA GLN A 15 12.332 -9.623 -0.016 1.00 0.00 C ATOM 208 C GLN A 15 11.310 -8.622 0.513 1.00 0.00 C ATOM 209 O GLN A 15 10.758 -7.823 -0.245 1.00 0.00 O ATOM 210 CB GLN A 15 13.151 -8.988 -1.141 1.00 0.00 C ATOM 211 CG GLN A 15 14.545 -9.577 -1.286 1.00 0.00 C ATOM 212 CD GLN A 15 15.544 -8.582 -1.844 1.00 0.00 C ATOM 213 OE1 GLN A 15 15.687 -8.445 -3.059 1.00 0.00 O ATOM 214 NE2 GLN A 15 16.241 -7.882 -0.957 1.00 0.00 N ATOM 0 H GLN A 15 11.669 -10.942 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 15 13.000 -9.897 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.615 -9.109 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.235 -7.917 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.891 -9.926 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.501 -10.448 -1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.089 -8.028 0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 15 16.928 -7.198 -1.274 1.00 0.00 H new ATOM 223 N CYS A 16 11.062 -8.670 1.817 1.00 0.00 N ATOM 224 CA CYS A 16 10.106 -7.768 2.449 1.00 0.00 C ATOM 225 C CYS A 16 10.527 -6.313 2.263 1.00 0.00 C ATOM 226 O CYS A 16 11.717 -6.003 2.196 1.00 0.00 O ATOM 227 CB CYS A 16 9.980 -8.088 3.940 1.00 0.00 C ATOM 228 SG CYS A 16 8.307 -7.835 4.615 1.00 0.00 S ATOM 0 H CYS A 16 11.510 -9.325 2.458 1.00 0.00 H new ATOM 0 HA CYS A 16 9.137 -7.912 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.274 -9.125 4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.682 -7.466 4.495 1.00 0.00 H new ATOM 233 N CYS A 17 9.543 -5.425 2.181 1.00 0.00 N ATOM 234 CA CYS A 17 9.808 -4.002 2.003 1.00 0.00 C ATOM 235 C CYS A 17 10.835 -3.509 3.019 1.00 0.00 C ATOM 236 O CYS A 17 10.921 -4.028 4.132 1.00 0.00 O ATOM 237 CB CYS A 17 8.513 -3.199 2.139 1.00 0.00 C ATOM 238 SG CYS A 17 8.473 -1.678 1.137 1.00 0.00 S ATOM 0 H CYS A 17 8.553 -5.666 2.235 1.00 0.00 H new ATOM 0 HA CYS A 17 10.214 -3.856 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.673 -3.832 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.370 -2.935 3.187 1.00 0.00 H new ATOM 243 N LYS A 18 11.611 -2.505 2.627 1.00 0.00 N ATOM 244 CA LYS A 18 12.631 -1.940 3.503 1.00 0.00 C ATOM 245 C LYS A 18 12.017 -0.944 4.482 1.00 0.00 C ATOM 246 O LYS A 18 12.717 -0.360 5.309 1.00 0.00 O ATOM 247 CB LYS A 18 13.719 -1.252 2.675 1.00 0.00 C ATOM 248 CG LYS A 18 14.770 -2.208 2.137 1.00 0.00 C ATOM 249 CD LYS A 18 15.772 -2.597 3.211 1.00 0.00 C ATOM 250 CE LYS A 18 16.911 -3.425 2.636 1.00 0.00 C ATOM 251 NZ LYS A 18 17.806 -3.953 3.703 1.00 0.00 N ATOM 0 H LYS A 18 11.553 -2.065 1.708 1.00 0.00 H new ATOM 0 HA LYS A 18 13.077 -2.755 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.253 -0.730 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.208 -0.496 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.284 -3.104 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.293 -1.743 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.174 -1.698 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.267 -3.164 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.502 -4.256 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.491 -2.814 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.569 -4.512 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.216 -3.160 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.258 -4.557 4.349 1.00 0.00 H new ATOM 265 N SER A 19 10.705 -0.756 4.383 1.00 0.00 N ATOM 266 CA SER A 19 9.997 0.170 5.258 1.00 0.00 C ATOM 267 C SER A 19 10.149 -0.240 6.720 1.00 0.00 C ATOM 268 O SER A 19 10.033 0.588 7.624 1.00 0.00 O ATOM 269 CB SER A 19 8.515 0.227 4.884 1.00 0.00 C ATOM 270 OG SER A 19 8.338 0.758 3.582 1.00 0.00 O ATOM 0 H SER A 19 10.111 -1.233 3.705 1.00 0.00 H new ATOM 0 HA SER A 19 10.435 1.160 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.085 -0.774 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.978 0.841 5.607 1.00 0.00 H new ATOM 0 HG SER A 19 8.370 0.031 2.925 1.00 0.00 H new ATOM 276 N SER A 20 10.409 -1.524 6.944 1.00 0.00 N ATOM 277 CA SER A 20 10.573 -2.047 8.295 1.00 0.00 C ATOM 278 C SER A 20 11.240 -3.419 8.270 1.00 0.00 C ATOM 279 O SER A 20 11.070 -4.187 7.323 1.00 0.00 O ATOM 280 CB SER A 20 9.217 -2.139 8.997 1.00 0.00 C ATOM 281 OG SER A 20 8.830 -0.883 9.528 1.00 0.00 O ATOM 0 H SER A 20 10.511 -2.222 6.207 1.00 0.00 H new ATOM 0 HA SER A 20 11.215 -1.361 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.462 -2.487 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.268 -2.876 9.799 1.00 0.00 H new ATOM 0 HG SER A 20 9.321 -0.169 9.070 1.00 0.00 H new ATOM 287 N LYS A 21 12.000 -3.719 9.318 1.00 0.00 N ATOM 288 CA LYS A 21 12.692 -4.998 9.419 1.00 0.00 C ATOM 289 C LYS A 21 11.704 -6.136 9.655 1.00 0.00 C ATOM 290 O LYS A 21 11.171 -6.291 10.754 1.00 0.00 O ATOM 291 CB LYS A 21 13.719 -4.957 10.553 1.00 0.00 C ATOM 292 CG LYS A 21 14.931 -4.094 10.246 1.00 0.00 C ATOM 293 CD LYS A 21 14.647 -2.623 10.502 1.00 0.00 C ATOM 294 CE LYS A 21 15.926 -1.849 10.781 1.00 0.00 C ATOM 295 NZ LYS A 21 16.540 -2.242 12.080 1.00 0.00 N ATOM 0 H LYS A 21 12.152 -3.094 10.109 1.00 0.00 H new ATOM 0 HA LYS A 21 13.207 -5.179 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.236 -4.582 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.052 -5.973 10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.773 -4.415 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.224 -4.233 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.142 -2.193 9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.969 -2.524 11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.639 -2.023 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.709 -0.781 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.148 -1.472 12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.790 -2.428 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.111 -3.101 11.948 1.00 0.00 H new ATOM 309 N LEU A 22 11.464 -6.929 8.617 1.00 0.00 N ATOM 310 CA LEU A 22 10.540 -8.054 8.712 1.00 0.00 C ATOM 311 C LEU A 22 11.037 -9.238 7.888 1.00 0.00 C ATOM 312 O LEU A 22 11.708 -9.062 6.871 1.00 0.00 O ATOM 313 CB LEU A 22 9.147 -7.637 8.236 1.00 0.00 C ATOM 314 CG LEU A 22 8.493 -6.488 9.003 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.495 -5.756 8.119 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.813 -7.005 10.262 1.00 0.00 C ATOM 0 H LEU A 22 11.896 -6.814 7.700 1.00 0.00 H new ATOM 0 HA LEU A 22 10.485 -8.359 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.213 -7.355 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.490 -8.505 8.292 1.00 0.00 H new ATOM 0 HG LEU A 22 9.272 -5.784 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.039 -4.941 8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.009 -5.351 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.720 -6.450 7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.353 -6.173 10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.046 -7.730 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.552 -7.483 10.905 1.00 0.00 H new ATOM 328 N VAL A 23 10.703 -10.445 8.334 1.00 0.00 N ATOM 329 CA VAL A 23 11.112 -11.658 7.637 1.00 0.00 C ATOM 330 C VAL A 23 9.928 -12.593 7.420 1.00 0.00 C ATOM 331 O VAL A 23 8.988 -12.619 8.215 1.00 0.00 O ATOM 332 CB VAL A 23 12.209 -12.410 8.416 1.00 0.00 C ATOM 333 CG1 VAL A 23 13.544 -11.692 8.284 1.00 0.00 C ATOM 334 CG2 VAL A 23 11.817 -12.559 9.878 1.00 0.00 C ATOM 0 H VAL A 23 10.150 -10.608 9.175 1.00 0.00 H new ATOM 0 HA VAL A 23 11.509 -11.349 6.670 1.00 0.00 H new ATOM 0 HB VAL A 23 12.316 -13.407 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.307 -12.237 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.828 -11.642 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.455 -10.682 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.603 -13.092 10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.682 -11.572 10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.885 -13.120 9.949 1.00 0.00 H new ATOM 344 N CYS A 24 9.979 -13.362 6.337 1.00 0.00 N ATOM 345 CA CYS A 24 8.911 -14.299 6.013 1.00 0.00 C ATOM 346 C CYS A 24 9.471 -15.552 5.344 1.00 0.00 C ATOM 347 O CYS A 24 8.737 -16.311 4.712 1.00 0.00 O ATOM 348 CB CYS A 24 7.882 -13.635 5.096 1.00 0.00 C ATOM 349 SG CYS A 24 8.473 -13.352 3.396 1.00 0.00 S ATOM 0 H CYS A 24 10.750 -13.354 5.669 1.00 0.00 H new ATOM 0 HA CYS A 24 8.424 -14.591 6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.988 -14.258 5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.587 -12.680 5.530 1.00 0.00 H new ATOM 354 N SER A 25 10.776 -15.760 5.488 1.00 0.00 N ATOM 355 CA SER A 25 11.435 -16.917 4.896 1.00 0.00 C ATOM 356 C SER A 25 10.837 -18.216 5.429 1.00 0.00 C ATOM 357 O SER A 25 10.073 -18.890 4.738 1.00 0.00 O ATOM 358 CB SER A 25 12.937 -16.878 5.184 1.00 0.00 C ATOM 359 OG SER A 25 13.648 -16.291 4.108 1.00 0.00 O ATOM 0 H SER A 25 11.397 -15.142 6.010 1.00 0.00 H new ATOM 0 HA SER A 25 11.278 -16.881 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.121 -16.312 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.304 -17.890 5.357 1.00 0.00 H new ATOM 0 HG SER A 25 14.605 -16.276 4.318 1.00 0.00 H new ATOM 365 N ARG A 26 11.191 -18.559 6.663 1.00 0.00 N ATOM 366 CA ARG A 26 10.691 -19.777 7.290 1.00 0.00 C ATOM 367 C ARG A 26 9.480 -19.478 8.170 1.00 0.00 C ATOM 368 O ARG A 26 8.697 -20.371 8.492 1.00 0.00 O ATOM 369 CB ARG A 26 11.791 -20.436 8.124 1.00 0.00 C ATOM 370 CG ARG A 26 12.247 -19.594 9.304 1.00 0.00 C ATOM 371 CD ARG A 26 13.709 -19.846 9.637 1.00 0.00 C ATOM 372 NE ARG A 26 14.383 -18.634 10.095 1.00 0.00 N ATOM 373 CZ ARG A 26 14.823 -17.684 9.278 1.00 0.00 C ATOM 374 NH1 ARG A 26 14.660 -17.804 7.968 1.00 0.00 N ATOM 375 NH2 ARG A 26 15.426 -16.610 9.771 1.00 0.00 N ATOM 0 H ARG A 26 11.822 -18.011 7.248 1.00 0.00 H new ATOM 0 HA ARG A 26 10.384 -20.463 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.430 -21.397 8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.648 -20.642 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.101 -18.538 9.077 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.630 -19.821 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.778 -20.613 10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.220 -20.234 8.756 1.00 0.00 H new ATOM 0 HE ARG A 26 14.524 -18.510 11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.196 -18.628 7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.999 -17.073 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.552 -16.513 10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.764 -15.881 9.142 1.00 0.00 H new ATOM 389 N LYS A 27 9.334 -18.215 8.557 1.00 0.00 N ATOM 390 CA LYS A 27 8.220 -17.796 9.399 1.00 0.00 C ATOM 391 C LYS A 27 6.895 -17.938 8.657 1.00 0.00 C ATOM 392 O LYS A 27 6.821 -18.588 7.614 1.00 0.00 O ATOM 393 CB LYS A 27 8.412 -16.347 9.850 1.00 0.00 C ATOM 394 CG LYS A 27 9.782 -16.071 10.445 1.00 0.00 C ATOM 395 CD LYS A 27 9.919 -16.674 11.833 1.00 0.00 C ATOM 396 CE LYS A 27 9.235 -15.814 12.884 1.00 0.00 C ATOM 397 NZ LYS A 27 7.818 -16.218 13.095 1.00 0.00 N ATOM 0 H LYS A 27 9.974 -17.463 8.300 1.00 0.00 H new ATOM 0 HA LYS A 27 8.196 -18.442 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.256 -15.686 8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.648 -16.101 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.553 -16.480 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.947 -14.995 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.485 -17.674 11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.975 -16.783 12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.778 -15.891 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.273 -14.768 12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.192 -15.582 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.683 -17.195 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.587 -16.160 14.107 1.00 0.00 H new ATOM 411 N THR A 28 5.849 -17.324 9.202 1.00 0.00 N ATOM 412 CA THR A 28 4.526 -17.381 8.592 1.00 0.00 C ATOM 413 C THR A 28 4.544 -16.796 7.185 1.00 0.00 C ATOM 414 O THR A 28 5.493 -16.113 6.798 1.00 0.00 O ATOM 415 CB THR A 28 3.485 -16.623 9.437 1.00 0.00 C ATOM 416 OG1 THR A 28 4.080 -15.458 10.020 1.00 0.00 O ATOM 417 CG2 THR A 28 2.926 -17.516 10.535 1.00 0.00 C ATOM 0 H THR A 28 5.893 -16.782 10.065 1.00 0.00 H new ATOM 0 HA THR A 28 4.246 -18.433 8.542 1.00 0.00 H new ATOM 0 HB THR A 28 2.667 -16.323 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.403 -14.755 10.111 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.193 -16.959 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.448 -18.387 10.087 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.737 -17.842 11.187 1.00 0.00 H new ATOM 425 N ARG A 29 3.489 -17.067 6.423 1.00 0.00 N ATOM 426 CA ARG A 29 3.385 -16.568 5.057 1.00 0.00 C ATOM 427 C ARG A 29 3.424 -15.043 5.031 1.00 0.00 C ATOM 428 O ARG A 29 3.711 -14.437 3.999 1.00 0.00 O ATOM 429 CB ARG A 29 2.093 -17.067 4.406 1.00 0.00 C ATOM 430 CG ARG A 29 2.230 -18.429 3.746 1.00 0.00 C ATOM 431 CD ARG A 29 0.958 -18.822 3.012 1.00 0.00 C ATOM 432 NE ARG A 29 1.031 -20.181 2.480 1.00 0.00 N ATOM 433 CZ ARG A 29 1.723 -20.509 1.395 1.00 0.00 C ATOM 434 NH1 ARG A 29 2.399 -19.583 0.730 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.741 -21.767 0.974 1.00 0.00 N ATOM 0 H ARG A 29 2.695 -17.629 6.728 1.00 0.00 H new ATOM 0 HA ARG A 29 4.238 -16.946 4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.310 -17.117 5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.769 -16.342 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.065 -18.413 3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.462 -19.179 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.109 -18.743 3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.779 -18.122 2.196 1.00 0.00 H new ATOM 0 HE ARG A 29 0.523 -20.918 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.389 -18.615 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.929 -19.838 -0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.223 -22.483 1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.273 -22.018 0.141 1.00 0.00 H new ATOM 449 N TRP A 30 3.132 -14.430 6.173 1.00 0.00 N ATOM 450 CA TRP A 30 3.133 -12.975 6.281 1.00 0.00 C ATOM 451 C TRP A 30 4.396 -12.482 6.979 1.00 0.00 C ATOM 452 O TRP A 30 4.890 -13.117 7.911 1.00 0.00 O ATOM 453 CB TRP A 30 1.895 -12.499 7.043 1.00 0.00 C ATOM 454 CG TRP A 30 1.823 -13.024 8.445 1.00 0.00 C ATOM 455 CD1 TRP A 30 2.409 -12.483 9.554 1.00 0.00 C ATOM 456 CD2 TRP A 30 1.126 -14.194 8.887 1.00 0.00 C ATOM 457 NE1 TRP A 30 2.118 -13.246 10.659 1.00 0.00 N ATOM 458 CE2 TRP A 30 1.332 -14.301 10.277 1.00 0.00 C ATOM 459 CE3 TRP A 30 0.346 -15.160 8.245 1.00 0.00 C ATOM 460 CZ2 TRP A 30 0.788 -15.336 11.032 1.00 0.00 C ATOM 461 CZ3 TRP A 30 -0.193 -16.187 8.996 1.00 0.00 C ATOM 462 CH2 TRP A 30 0.029 -16.268 10.377 1.00 0.00 C ATOM 0 H TRP A 30 2.892 -14.917 7.036 1.00 0.00 H new ATOM 0 HA TRP A 30 3.112 -12.560 5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.890 -11.409 7.070 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.002 -12.808 6.500 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.012 -11.587 9.561 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.436 -13.057 11.610 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.168 -15.105 7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.959 -15.401 12.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.796 -16.940 8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.408 -17.082 10.936 1.00 0.00 H new ATOM 473 N CYS A 31 4.914 -11.347 6.522 1.00 0.00 N ATOM 474 CA CYS A 31 6.120 -10.768 7.103 1.00 0.00 C ATOM 475 C CYS A 31 5.916 -10.457 8.582 1.00 0.00 C ATOM 476 O CYS A 31 4.934 -9.820 8.965 1.00 0.00 O ATOM 477 CB CYS A 31 6.512 -9.495 6.351 1.00 0.00 C ATOM 478 SG CYS A 31 7.691 -9.768 4.990 1.00 0.00 S ATOM 0 H CYS A 31 4.518 -10.810 5.751 1.00 0.00 H new ATOM 0 HA CYS A 31 6.924 -11.498 7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.611 -9.031 5.949 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.947 -8.788 7.057 1.00 0.00 H new ATOM 483 N LYS A 32 6.851 -10.910 9.411 1.00 0.00 N ATOM 484 CA LYS A 32 6.776 -10.679 10.849 1.00 0.00 C ATOM 485 C LYS A 32 8.144 -10.306 11.411 1.00 0.00 C ATOM 486 O LYS A 32 9.177 -10.731 10.892 1.00 0.00 O ATOM 487 CB LYS A 32 6.243 -11.925 11.559 1.00 0.00 C ATOM 488 CG LYS A 32 4.745 -11.892 11.803 1.00 0.00 C ATOM 489 CD LYS A 32 4.416 -11.337 13.179 1.00 0.00 C ATOM 490 CE LYS A 32 3.232 -12.059 13.803 1.00 0.00 C ATOM 491 NZ LYS A 32 3.503 -13.512 13.987 1.00 0.00 N ATOM 0 H LYS A 32 7.670 -11.439 9.111 1.00 0.00 H new ATOM 0 HA LYS A 32 6.092 -9.849 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.486 -12.805 10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.756 -12.036 12.514 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.264 -11.281 11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.338 -12.899 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.286 -11.433 13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.194 -10.273 13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.999 -11.608 14.768 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.354 -11.931 13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.158 -13.814 14.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.014 -14.053 13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.527 -13.685 13.923 1.00 0.00 H new ATOM 505 N TYR A 33 8.144 -9.512 12.476 1.00 0.00 N ATOM 506 CA TYR A 33 9.386 -9.081 13.108 1.00 0.00 C ATOM 507 C TYR A 33 10.070 -10.248 13.814 1.00 0.00 C ATOM 508 O TYR A 33 9.411 -11.174 14.285 1.00 0.00 O ATOM 509 CB TYR A 33 9.110 -7.956 14.107 1.00 0.00 C ATOM 510 CG TYR A 33 7.946 -8.238 15.030 1.00 0.00 C ATOM 511 CD1 TYR A 33 8.017 -9.249 15.981 1.00 0.00 C ATOM 512 CD2 TYR A 33 6.776 -7.494 14.952 1.00 0.00 C ATOM 513 CE1 TYR A 33 6.956 -9.510 16.826 1.00 0.00 C ATOM 514 CE2 TYR A 33 5.710 -7.748 15.794 1.00 0.00 C ATOM 515 CZ TYR A 33 5.805 -8.757 16.729 1.00 0.00 C ATOM 516 OH TYR A 33 4.746 -9.013 17.569 1.00 0.00 O ATOM 0 H TYR A 33 7.298 -9.154 12.920 1.00 0.00 H new ATOM 0 HA TYR A 33 10.052 -8.710 12.329 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.005 -7.786 14.706 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.913 -7.035 13.559 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.917 -9.841 16.061 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.698 -6.703 14.221 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.028 -10.300 17.559 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.807 -7.159 15.720 1.00 0.00 H new ATOM 0 HH TYR A 33 4.014 -8.393 17.371 1.00 0.00 H new ATOM 526 N GLN A 34 11.396 -10.193 13.883 1.00 0.00 N ATOM 527 CA GLN A 34 12.171 -11.244 14.532 1.00 0.00 C ATOM 528 C GLN A 34 11.891 -11.281 16.030 1.00 0.00 C ATOM 529 O GLN A 34 11.190 -10.419 16.562 1.00 0.00 O ATOM 530 CB GLN A 34 13.666 -11.032 14.285 1.00 0.00 C ATOM 531 CG GLN A 34 14.165 -11.663 12.995 1.00 0.00 C ATOM 532 CD GLN A 34 14.574 -13.112 13.175 1.00 0.00 C ATOM 533 OE1 GLN A 34 15.692 -13.406 13.598 1.00 0.00 O ATOM 534 NE2 GLN A 34 13.667 -14.027 12.854 1.00 0.00 N ATOM 0 H GLN A 34 11.956 -9.432 13.498 1.00 0.00 H new ATOM 0 HA GLN A 34 11.871 -12.199 14.102 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.874 -9.962 14.260 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.227 -11.446 15.123 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.383 -11.601 12.238 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.016 -11.093 12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.752 -13.739 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.885 -15.018 12.954 1.00 0.00 H new ATOM 543 N ILE A 35 12.443 -12.283 16.706 1.00 0.00 N ATOM 544 CA ILE A 35 12.253 -12.431 18.143 1.00 0.00 C ATOM 545 C ILE A 35 13.529 -12.921 18.819 1.00 0.00 C ATOM 546 O ILE A 35 13.958 -14.057 18.612 1.00 0.00 O ATOM 547 CB ILE A 35 11.108 -13.411 18.462 1.00 0.00 C ATOM 548 CG1 ILE A 35 9.841 -13.013 17.703 1.00 0.00 C ATOM 549 CG2 ILE A 35 10.845 -13.449 19.960 1.00 0.00 C ATOM 550 CD1 ILE A 35 8.689 -13.973 17.904 1.00 0.00 C ATOM 0 H ILE A 35 13.026 -13.004 16.281 1.00 0.00 H new ATOM 0 HA ILE A 35 11.995 -11.445 18.530 1.00 0.00 H new ATOM 0 HB ILE A 35 11.404 -14.409 18.140 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.534 -12.017 18.023 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.069 -12.950 16.639 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.033 -14.146 20.169 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.746 -13.775 20.479 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.567 -12.454 20.306 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.825 -13.628 17.337 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.978 -14.965 17.558 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.434 -14.018 18.963 1.00 0.00 H new TER 562 ILE A 35