USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 260 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0245 X(o=-0.025,f=-0.025) USER MOD Single : A 19 THR OG1 : rot 8:sc= 0.739 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 43:sc= 0.99 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.325 (180deg=0.192) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0123 (180deg=-0.12) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 8 N ASP A 2 0.428 0.072 -2.987 1.00 62.10 N ATOM 9 CA ASP A 2 -0.330 0.112 -4.232 1.00 71.35 C ATOM 10 C ASP A 2 0.569 -0.192 -5.427 1.00 35.32 C ATOM 11 O ASP A 2 1.592 0.462 -5.627 1.00 65.54 O ATOM 12 CB ASP A 2 -0.988 1.481 -4.409 1.00 63.04 C ATOM 13 CG ASP A 2 -0.082 2.619 -3.982 1.00 61.13 C ATOM 14 OD1 ASP A 2 1.003 2.769 -4.580 1.00 34.22 O ATOM 15 OD2 ASP A 2 -0.458 3.360 -3.049 1.00 0.23 O1- ATOM 0 HA ASP A 2 -1.106 -0.652 -4.181 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -1.266 1.615 -5.454 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.909 1.516 -3.827 1.00 63.04 H new ATOM 20 N ILE A 3 0.179 -1.188 -6.215 1.00 65.02 N ATOM 21 CA ILE A 3 0.949 -1.578 -7.389 1.00 62.21 C ATOM 22 C ILE A 3 0.558 -0.745 -8.605 1.00 1.00 C ATOM 23 O ILE A 3 -0.620 -0.637 -8.945 1.00 25.10 O ATOM 24 CB ILE A 3 0.756 -3.070 -7.719 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.150 -3.935 -6.520 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.573 -3.451 -8.944 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.019 -4.159 -5.540 1.00 33.10 C ATOM 0 H ILE A 3 -0.665 -1.739 -6.062 1.00 65.02 H new ATOM 0 HA ILE A 3 1.998 -1.400 -7.152 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.297 -3.245 -7.939 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.505 -4.901 -6.880 1.00 45.41 H new ATOM 0 HG13 ILE A 3 1.983 -3.463 -5.999 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.426 -4.508 -9.165 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.250 -2.854 -9.797 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.629 -3.264 -8.750 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.369 -4.780 -4.716 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.321 -3.199 -5.152 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.807 -4.659 -6.046 1.00 33.10 H new ATOM 39 N LYS A 4 1.555 -0.158 -9.259 1.00 42.23 N ATOM 40 CA LYS A 4 1.318 0.664 -10.439 1.00 60.33 C ATOM 41 C LYS A 4 0.869 -0.195 -11.618 1.00 34.13 C ATOM 42 O LYS A 4 1.404 -1.279 -11.848 1.00 0.02 O ATOM 43 CB LYS A 4 2.585 1.437 -10.812 1.00 0.52 C ATOM 44 CG LYS A 4 2.417 2.330 -12.029 1.00 53.23 C ATOM 45 CD LYS A 4 3.547 3.339 -12.139 1.00 21.10 C ATOM 46 CE LYS A 4 3.779 3.760 -13.582 1.00 14.23 C ATOM 47 NZ LYS A 4 5.021 4.569 -13.731 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.536 -0.237 -8.991 1.00 42.23 H new ATOM 0 HA LYS A 4 0.524 1.373 -10.203 1.00 60.33 H new ATOM 0 HB2 LYS A 4 2.891 2.048 -9.963 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.391 0.728 -11.001 1.00 0.52 H new ATOM 0 HG2 LYS A 4 2.386 1.717 -12.930 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.464 2.855 -11.968 1.00 53.23 H new ATOM 0 HD2 LYS A 4 3.313 4.216 -11.536 1.00 21.10 H new ATOM 0 HD3 LYS A 4 4.462 2.908 -11.733 1.00 21.10 H new ATOM 0 HE2 LYS A 4 3.845 2.874 -14.213 1.00 14.23 H new ATOM 0 HE3 LYS A 4 2.925 4.338 -13.933 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 5.144 4.836 -14.729 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 4.948 5.428 -13.149 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 5.840 4.008 -13.420 1.00 54.30 H new ATOM 61 N CYS A 5 -0.116 0.298 -12.362 1.00 10.41 N ATOM 62 CA CYS A 5 -0.636 -0.422 -13.518 1.00 21.11 C ATOM 63 C CYS A 5 -1.594 0.455 -14.319 1.00 1.33 C ATOM 64 O CYS A 5 -1.783 1.631 -14.008 1.00 73.11 O ATOM 65 CB CYS A 5 -1.350 -1.699 -13.069 1.00 60.55 C ATOM 66 SG CYS A 5 -2.736 -1.414 -11.922 1.00 4.21 S ATOM 0 H CYS A 5 -0.570 1.194 -12.184 1.00 10.41 H new ATOM 0 HA CYS A 5 0.205 -0.689 -14.158 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.723 -2.222 -13.949 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.626 -2.358 -12.590 1.00 60.55 H new ATOM 71 N SER A 6 -2.197 -0.128 -15.351 1.00 42.24 N ATOM 72 CA SER A 6 -3.133 0.601 -16.200 1.00 61.44 C ATOM 73 C SER A 6 -4.449 -0.159 -16.333 1.00 32.03 C ATOM 74 O SER A 6 -5.524 0.395 -16.107 1.00 63.32 O ATOM 75 CB SER A 6 -2.524 0.836 -17.583 1.00 50.22 C ATOM 76 OG SER A 6 -3.339 1.695 -18.361 1.00 20.54 O ATOM 0 H SER A 6 -2.054 -1.102 -15.619 1.00 42.24 H new ATOM 0 HA SER A 6 -3.335 1.565 -15.732 1.00 61.44 H new ATOM 0 HB2 SER A 6 -1.530 1.271 -17.477 1.00 50.22 H new ATOM 0 HB3 SER A 6 -2.402 -0.118 -18.097 1.00 50.22 H new ATOM 0 HG SER A 6 -2.926 1.830 -19.240 1.00 20.54 H new ATOM 82 N GLY A 7 -4.355 -1.433 -16.704 1.00 64.14 N ATOM 83 CA GLY A 7 -5.545 -2.249 -16.862 1.00 33.31 C ATOM 84 C GLY A 7 -5.905 -3.001 -15.596 1.00 44.41 C ATOM 85 O GLY A 7 -5.249 -2.846 -14.565 1.00 64.33 O ATOM 0 H GLY A 7 -3.477 -1.914 -16.898 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.381 -1.614 -17.154 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.388 -2.961 -17.672 1.00 33.31 H new ATOM 89 N THR A 8 -6.950 -3.818 -15.671 1.00 13.31 N ATOM 90 CA THR A 8 -7.398 -4.594 -14.523 1.00 70.34 C ATOM 91 C THR A 8 -6.523 -5.826 -14.316 1.00 24.33 C ATOM 92 O THR A 8 -5.977 -6.037 -13.233 1.00 53.31 O ATOM 93 CB THR A 8 -8.863 -5.041 -14.683 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.597 -4.058 -15.422 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.517 -5.254 -13.326 1.00 22.01 C ATOM 0 H THR A 8 -7.503 -3.959 -16.517 1.00 13.31 H new ATOM 0 HA THR A 8 -7.317 -3.943 -13.652 1.00 70.34 H new ATOM 0 HB THR A 8 -8.873 -5.986 -15.225 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.527 -4.350 -15.521 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.551 -5.569 -13.466 1.00 22.01 H new ATOM 0 HG22 THR A 8 -8.974 -6.024 -12.777 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.495 -4.322 -12.761 1.00 22.01 H new ATOM 103 N ARG A 9 -6.393 -6.635 -15.362 1.00 63.03 N ATOM 104 CA ARG A 9 -5.584 -7.847 -15.295 1.00 35.22 C ATOM 105 C ARG A 9 -4.186 -7.538 -14.767 1.00 62.21 C ATOM 106 O ARG A 9 -3.654 -8.267 -13.930 1.00 12.24 O ATOM 107 CB ARG A 9 -5.487 -8.499 -16.675 1.00 50.11 C ATOM 108 CG ARG A 9 -4.963 -7.565 -17.754 1.00 54.31 C ATOM 109 CD ARG A 9 -5.165 -8.149 -19.143 1.00 31.23 C ATOM 110 NE ARG A 9 -4.314 -7.503 -20.138 1.00 53.25 N ATOM 111 CZ ARG A 9 -4.088 -8.002 -21.348 1.00 74.41 C ATOM 112 NH1 ARG A 9 -4.647 -9.148 -21.711 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -3.301 -7.355 -22.198 1.00 42.11 N ATOM 0 H ARG A 9 -6.837 -6.474 -16.266 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.069 -8.540 -14.608 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -4.834 -9.369 -16.611 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -6.473 -8.861 -16.967 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -5.473 -6.604 -17.684 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -3.902 -7.375 -17.589 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.950 -9.217 -19.122 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -6.210 -8.039 -19.434 1.00 31.23 H new ATOM 0 HE ARG A 9 -3.868 -6.620 -19.890 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -5.252 -9.649 -21.060 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -4.472 -9.529 -22.641 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -2.869 -6.473 -21.923 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -3.128 -7.739 -23.127 1.00 42.11 H new ATOM 127 N GLN A 10 -3.598 -6.453 -15.262 1.00 2.21 N ATOM 128 CA GLN A 10 -2.262 -6.050 -14.841 1.00 65.23 C ATOM 129 C GLN A 10 -2.167 -5.983 -13.320 1.00 0.55 C ATOM 130 O GLN A 10 -1.104 -6.215 -12.743 1.00 51.15 O ATOM 131 CB GLN A 10 -1.903 -4.692 -15.446 1.00 4.11 C ATOM 132 CG GLN A 10 -2.060 -4.638 -16.957 1.00 74.01 C ATOM 133 CD GLN A 10 -0.881 -3.976 -17.643 1.00 42.22 C ATOM 134 OE1 GLN A 10 -0.349 -4.496 -18.625 1.00 13.10 O ATOM 135 NE2 GLN A 10 -0.466 -2.825 -17.129 1.00 2.11 N ATOM 0 H GLN A 10 -4.026 -5.838 -15.954 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.554 -6.798 -15.198 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.533 -3.925 -14.996 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -0.872 -4.449 -15.187 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -2.178 -5.651 -17.343 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -2.972 -4.094 -17.205 1.00 74.01 H new ATOM 0 HE21 GLN A 10 -0.937 -2.431 -16.314 1.00 2.11 H new ATOM 0 HE22 GLN A 10 0.324 -2.334 -17.549 1.00 2.11 H new ATOM 144 N CYS A 11 -3.286 -5.667 -12.676 1.00 12.13 N ATOM 145 CA CYS A 11 -3.329 -5.570 -11.222 1.00 65.14 C ATOM 146 C CYS A 11 -3.523 -6.945 -10.591 1.00 41.34 C ATOM 147 O CYS A 11 -2.936 -7.250 -9.552 1.00 2.11 O ATOM 148 CB CYS A 11 -4.458 -4.633 -10.787 1.00 10.03 C ATOM 149 SG CYS A 11 -4.677 -4.520 -8.981 1.00 1.12 S ATOM 0 H CYS A 11 -4.175 -5.474 -13.138 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.377 -5.164 -10.881 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.261 -3.636 -11.181 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.391 -4.974 -11.235 1.00 10.03 H new ATOM 154 N TRP A 12 -4.350 -7.769 -11.223 1.00 72.32 N ATOM 155 CA TRP A 12 -4.621 -9.112 -10.724 1.00 3.31 C ATOM 156 C TRP A 12 -3.325 -9.888 -10.517 1.00 33.15 C ATOM 157 O TRP A 12 -3.177 -10.619 -9.539 1.00 61.15 O ATOM 158 CB TRP A 12 -5.532 -9.865 -11.693 1.00 71.44 C ATOM 159 CG TRP A 12 -6.876 -9.223 -11.866 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.354 -8.133 -11.198 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.914 -9.635 -12.763 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.628 -7.841 -11.626 1.00 4.11 N ATOM 163 CE2 TRP A 12 -8.993 -8.747 -12.586 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.036 -10.665 -13.699 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.176 -8.861 -13.310 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.210 -10.778 -14.417 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.268 -9.880 -14.220 1.00 44.03 C ATOM 0 H TRP A 12 -4.845 -7.531 -12.082 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.125 -9.020 -9.762 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.041 -9.932 -12.664 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.668 -10.885 -11.334 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.812 -7.581 -10.444 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.207 -7.074 -11.284 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.226 -11.361 -13.858 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -10.992 -8.170 -13.159 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.315 -11.571 -15.142 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.174 -9.994 -14.797 1.00 44.03 H new ATOM 178 N GLY A 13 -2.387 -9.723 -11.447 1.00 71.22 N ATOM 179 CA GLY A 13 -1.116 -10.416 -11.347 1.00 42.02 C ATOM 180 C GLY A 13 -0.467 -10.245 -9.988 1.00 40.21 C ATOM 181 O GLY A 13 -0.338 -11.193 -9.214 1.00 54.21 O ATOM 0 H GLY A 13 -2.485 -9.123 -12.266 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.268 -11.477 -11.542 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.441 -10.044 -12.118 1.00 42.02 H new ATOM 185 N PRO A 14 -0.043 -9.009 -9.682 1.00 4.43 N ATOM 186 CA PRO A 14 0.604 -8.688 -8.407 1.00 22.31 C ATOM 187 C PRO A 14 -0.365 -8.752 -7.232 1.00 31.34 C ATOM 188 O PRO A 14 0.039 -8.986 -6.092 1.00 32.04 O ATOM 189 CB PRO A 14 1.101 -7.256 -8.612 1.00 13.02 C ATOM 190 CG PRO A 14 0.198 -6.686 -9.652 1.00 33.44 C ATOM 191 CD PRO A 14 -0.163 -7.831 -10.557 1.00 22.03 C ATOM 0 HA PRO A 14 1.394 -9.397 -8.162 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.050 -6.683 -7.686 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.141 -7.241 -8.939 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.693 -6.250 -9.199 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.695 -5.891 -10.208 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.173 -7.726 -10.954 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.510 -7.895 -11.412 1.00 22.03 H new ATOM 199 N CYS A 15 -1.646 -8.545 -7.516 1.00 62.23 N ATOM 200 CA CYS A 15 -2.674 -8.579 -6.483 1.00 3.44 C ATOM 201 C CYS A 15 -2.829 -9.988 -5.915 1.00 30.12 C ATOM 202 O CYS A 15 -3.140 -10.164 -4.738 1.00 73.25 O ATOM 203 CB CYS A 15 -4.011 -8.096 -7.048 1.00 74.34 C ATOM 204 SG CYS A 15 -5.351 -8.006 -5.817 1.00 62.22 S ATOM 0 H CYS A 15 -1.997 -8.352 -8.454 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.365 -7.913 -5.677 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.871 -7.109 -7.490 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.316 -8.765 -7.853 1.00 74.34 H new ATOM 209 N LYS A 16 -2.610 -10.988 -6.762 1.00 64.42 N ATOM 210 CA LYS A 16 -2.723 -12.381 -6.348 1.00 3.12 C ATOM 211 C LYS A 16 -1.553 -12.778 -5.453 1.00 25.42 C ATOM 212 O LYS A 16 -1.729 -13.488 -4.463 1.00 50.24 O ATOM 213 CB LYS A 16 -2.776 -13.297 -7.573 1.00 71.40 C ATOM 214 CG LYS A 16 -3.763 -14.443 -7.432 1.00 31.03 C ATOM 215 CD LYS A 16 -3.248 -15.508 -6.480 1.00 10.24 C ATOM 216 CE LYS A 16 -2.006 -16.193 -7.029 1.00 12.14 C ATOM 217 NZ LYS A 16 -1.779 -17.521 -6.393 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.353 -10.859 -7.741 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.647 -12.492 -5.780 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -3.042 -12.705 -8.448 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.782 -13.705 -7.755 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.717 -14.060 -7.069 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.949 -14.887 -8.410 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -3.019 -15.055 -5.515 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -4.027 -16.250 -6.306 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -2.107 -16.319 -8.107 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.137 -15.557 -6.862 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 -0.924 -17.956 -6.794 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -1.657 -17.399 -5.367 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -2.597 -18.137 -6.573 1.00 44.01 H new ATOM 231 N LYS A 17 -0.359 -12.315 -5.807 1.00 20.43 N ATOM 232 CA LYS A 17 0.840 -12.620 -5.036 1.00 52.42 C ATOM 233 C LYS A 17 0.687 -12.163 -3.589 1.00 3.52 C ATOM 234 O LYS A 17 1.191 -12.805 -2.669 1.00 41.22 O ATOM 235 CB LYS A 17 2.061 -11.949 -5.667 1.00 61.20 C ATOM 236 CG LYS A 17 3.374 -12.639 -5.337 1.00 31.15 C ATOM 237 CD LYS A 17 3.568 -13.895 -6.171 1.00 5.45 C ATOM 238 CE LYS A 17 4.628 -14.805 -5.569 1.00 32.53 C ATOM 239 NZ LYS A 17 5.233 -15.703 -6.591 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.196 -11.726 -6.624 1.00 20.43 H new ATOM 0 HA LYS A 17 0.982 -13.701 -5.044 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.934 -11.927 -6.749 1.00 61.20 H new ATOM 0 HB3 LYS A 17 2.110 -10.913 -5.331 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.202 -11.952 -5.514 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.395 -12.897 -4.278 1.00 31.15 H new ATOM 0 HD2 LYS A 17 2.623 -14.434 -6.245 1.00 5.45 H new ATOM 0 HD3 LYS A 17 3.857 -13.619 -7.185 1.00 5.45 H new ATOM 0 HE2 LYS A 17 5.409 -14.199 -5.110 1.00 32.53 H new ATOM 0 HE3 LYS A 17 4.183 -15.406 -4.776 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 5.950 -16.307 -6.141 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 4.492 -16.300 -7.011 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 5.680 -15.130 -7.335 1.00 63.43 H new ATOM 253 N GLN A 18 -0.015 -11.050 -3.395 1.00 3.42 N ATOM 254 CA GLN A 18 -0.235 -10.509 -2.060 1.00 74.11 C ATOM 255 C GLN A 18 -1.521 -11.061 -1.454 1.00 31.40 C ATOM 256 O GLN A 18 -1.548 -11.470 -0.292 1.00 41.21 O ATOM 257 CB GLN A 18 -0.295 -8.981 -2.109 1.00 50.14 C ATOM 258 CG GLN A 18 1.063 -8.324 -2.297 1.00 1.24 C ATOM 259 CD GLN A 18 1.918 -8.384 -1.047 1.00 33.51 C ATOM 260 OE1 GLN A 18 2.819 -9.216 -0.936 1.00 40.45 O ATOM 261 NE2 GLN A 18 1.639 -7.500 -0.095 1.00 65.50 N ATOM 0 H GLN A 18 -0.441 -10.506 -4.146 1.00 3.42 H new ATOM 0 HA GLN A 18 0.601 -10.813 -1.430 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.952 -8.678 -2.924 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -0.742 -8.614 -1.185 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.589 -8.814 -3.116 1.00 1.24 H new ATOM 0 HG3 GLN A 18 0.922 -7.283 -2.586 1.00 1.24 H new ATOM 0 HE21 GLN A 18 0.883 -6.828 -0.229 1.00 65.50 H new ATOM 0 HE22 GLN A 18 2.180 -7.493 0.769 1.00 65.50 H new ATOM 270 N THR A 19 -2.587 -11.070 -2.248 1.00 31.11 N ATOM 271 CA THR A 19 -3.877 -11.571 -1.790 1.00 55.23 C ATOM 272 C THR A 19 -4.544 -12.431 -2.856 1.00 11.43 C ATOM 273 O THR A 19 -4.797 -11.974 -3.970 1.00 51.24 O ATOM 274 CB THR A 19 -4.825 -10.417 -1.412 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.269 -9.741 -2.593 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.133 -9.428 -0.485 1.00 74.11 C ATOM 0 H THR A 19 -2.582 -10.736 -3.212 1.00 31.11 H new ATOM 0 HA THR A 19 -3.684 -12.179 -0.906 1.00 55.23 H new ATOM 0 HB THR A 19 -5.684 -10.839 -0.890 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.981 -10.242 -3.385 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.822 -8.622 -0.232 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.823 -9.939 0.426 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.257 -9.013 -0.984 1.00 74.11 H new ATOM 284 N THR A 20 -4.826 -13.683 -2.508 1.00 61.13 N ATOM 285 CA THR A 20 -5.463 -14.609 -3.436 1.00 1.13 C ATOM 286 C THR A 20 -6.620 -13.941 -4.172 1.00 5.33 C ATOM 287 O THR A 20 -6.867 -14.223 -5.345 1.00 5.34 O ATOM 288 CB THR A 20 -5.988 -15.862 -2.709 1.00 61.25 C ATOM 289 OG1 THR A 20 -7.081 -15.510 -1.853 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.884 -16.512 -1.888 1.00 3.31 C ATOM 0 H THR A 20 -4.623 -14.079 -1.590 1.00 61.13 H new ATOM 0 HA THR A 20 -4.701 -14.908 -4.156 1.00 1.13 H new ATOM 0 HB THR A 20 -6.330 -16.575 -3.460 1.00 61.25 H new ATOM 0 HG1 THR A 20 -7.410 -16.312 -1.396 1.00 10.11 H new ATOM 0 HG21 THR A 20 -5.277 -17.395 -1.383 1.00 3.31 H new ATOM 0 HG22 THR A 20 -4.066 -16.805 -2.546 1.00 3.31 H new ATOM 0 HG23 THR A 20 -4.517 -15.803 -1.146 1.00 3.31 H new ATOM 298 N CYS A 21 -7.324 -13.055 -3.478 1.00 64.14 N ATOM 299 CA CYS A 21 -8.454 -12.346 -4.065 1.00 5.11 C ATOM 300 C CYS A 21 -7.981 -11.335 -5.104 1.00 40.40 C ATOM 301 O CYS A 21 -7.641 -10.198 -4.772 1.00 21.12 O ATOM 302 CB CYS A 21 -9.260 -11.636 -2.975 1.00 1.52 C ATOM 303 SG CYS A 21 -10.271 -12.753 -1.950 1.00 50.33 S ATOM 0 H CYS A 21 -7.132 -12.810 -2.507 1.00 64.14 H new ATOM 0 HA CYS A 21 -9.092 -13.078 -4.560 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.574 -11.089 -2.329 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.913 -10.899 -3.443 1.00 1.52 H new ATOM 308 N THR A 22 -7.961 -11.754 -6.365 1.00 14.00 N ATOM 309 CA THR A 22 -7.530 -10.887 -7.453 1.00 51.41 C ATOM 310 C THR A 22 -8.502 -9.730 -7.653 1.00 53.53 C ATOM 311 O THR A 22 -8.135 -8.684 -8.188 1.00 3.31 O ATOM 312 CB THR A 22 -7.399 -11.666 -8.776 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.385 -12.702 -8.833 1.00 3.21 O ATOM 314 CG2 THR A 22 -6.010 -12.273 -8.911 1.00 14.31 C ATOM 0 H THR A 22 -8.239 -12.691 -6.658 1.00 14.00 H new ATOM 0 HA THR A 22 -6.553 -10.493 -7.173 1.00 51.41 H new ATOM 0 HB THR A 22 -7.556 -10.970 -9.600 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.297 -13.192 -9.677 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.941 -12.818 -9.852 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.263 -11.479 -8.896 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.830 -12.957 -8.082 1.00 14.31 H new ATOM 322 N ASN A 23 -9.743 -9.925 -7.220 1.00 53.41 N ATOM 323 CA ASN A 23 -10.769 -8.896 -7.352 1.00 34.21 C ATOM 324 C ASN A 23 -10.249 -7.545 -6.870 1.00 20.55 C ATOM 325 O ASN A 23 -10.126 -7.308 -5.668 1.00 5.23 O ATOM 326 CB ASN A 23 -12.017 -9.287 -6.558 1.00 61.22 C ATOM 327 CG ASN A 23 -13.274 -8.632 -7.098 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.704 -8.916 -8.216 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.869 -7.750 -6.304 1.00 73.14 N ATOM 0 H ASN A 23 -10.063 -10.785 -6.775 1.00 53.41 H new ATOM 0 HA ASN A 23 -11.029 -8.810 -8.407 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.136 -10.370 -6.583 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.883 -9.005 -5.514 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.718 -7.277 -6.613 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.477 -7.546 -5.385 1.00 73.14 H new ATOM 336 N SER A 24 -9.948 -6.662 -7.816 1.00 54.05 N ATOM 337 CA SER A 24 -9.438 -5.335 -7.489 1.00 34.31 C ATOM 338 C SER A 24 -9.827 -4.324 -8.563 1.00 44.51 C ATOM 339 O SER A 24 -10.423 -4.678 -9.580 1.00 53.52 O ATOM 340 CB SER A 24 -7.916 -5.373 -7.334 1.00 75.00 C ATOM 341 OG SER A 24 -7.420 -4.134 -6.859 1.00 22.34 O ATOM 0 H SER A 24 -10.048 -6.841 -8.815 1.00 54.05 H new ATOM 0 HA SER A 24 -9.884 -5.024 -6.544 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.638 -6.169 -6.643 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.456 -5.609 -8.293 1.00 75.00 H new ATOM 0 HG SER A 24 -8.000 -3.803 -6.141 1.00 22.34 H new ATOM 347 N LYS A 25 -9.485 -3.061 -8.329 1.00 3.11 N ATOM 348 CA LYS A 25 -9.796 -1.996 -9.275 1.00 42.00 C ATOM 349 C LYS A 25 -8.599 -1.070 -9.463 1.00 25.42 C ATOM 350 O LYS A 25 -8.147 -0.421 -8.519 1.00 61.41 O ATOM 351 CB LYS A 25 -11.005 -1.193 -8.791 1.00 42.44 C ATOM 352 CG LYS A 25 -12.332 -1.724 -9.303 1.00 20.30 C ATOM 353 CD LYS A 25 -12.656 -1.180 -10.683 1.00 61.22 C ATOM 354 CE LYS A 25 -14.151 -1.226 -10.965 1.00 34.25 C ATOM 355 NZ LYS A 25 -14.438 -1.350 -12.420 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.992 -2.750 -7.492 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.033 -2.454 -10.235 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -11.019 -1.194 -7.701 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.892 -0.156 -9.107 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -12.299 -2.813 -9.339 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -13.126 -1.452 -8.608 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -12.301 -0.152 -10.762 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -12.125 -1.760 -11.438 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -14.595 -2.068 -10.434 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -14.621 -0.322 -10.578 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -15.467 -1.378 -12.570 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -14.037 -0.533 -12.924 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -14.011 -2.225 -12.785 1.00 70.51 H new ATOM 369 N CYS A 26 -8.090 -1.010 -10.689 1.00 32.25 N ATOM 370 CA CYS A 26 -6.946 -0.162 -11.002 1.00 41.13 C ATOM 371 C CYS A 26 -7.398 1.254 -11.349 1.00 2.13 C ATOM 372 O CYS A 26 -7.866 1.513 -12.458 1.00 2.40 O ATOM 373 CB CYS A 26 -6.148 -0.754 -12.166 1.00 14.14 C ATOM 374 SG CYS A 26 -4.385 -0.300 -12.165 1.00 22.13 S ATOM 0 H CYS A 26 -8.452 -1.539 -11.482 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.308 -0.116 -10.120 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.232 -1.840 -12.135 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.596 -0.426 -13.104 1.00 14.14 H new ATOM 379 N MET A 27 -7.253 2.166 -10.393 1.00 14.44 N ATOM 380 CA MET A 27 -7.644 3.556 -10.598 1.00 2.23 C ATOM 381 C MET A 27 -6.500 4.501 -10.246 1.00 31.21 C ATOM 382 O MET A 27 -5.787 4.288 -9.267 1.00 4.41 O ATOM 383 CB MET A 27 -8.876 3.891 -9.755 1.00 42.02 C ATOM 384 CG MET A 27 -8.679 3.644 -8.268 1.00 64.14 C ATOM 385 SD MET A 27 -10.023 4.315 -7.269 1.00 13.43 S ATOM 386 CE MET A 27 -10.349 2.936 -6.172 1.00 12.31 C ATOM 0 H MET A 27 -6.868 1.968 -9.470 1.00 14.44 H new ATOM 0 HA MET A 27 -7.887 3.687 -11.652 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.139 4.938 -9.910 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.719 3.296 -10.106 1.00 42.02 H new ATOM 0 HG2 MET A 27 -8.599 2.572 -8.089 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.737 4.092 -7.951 1.00 64.14 H new ATOM 0 HE1 MET A 27 -11.159 3.197 -5.491 1.00 12.31 H new ATOM 0 HE2 MET A 27 -10.636 2.064 -6.759 1.00 12.31 H new ATOM 0 HE3 MET A 27 -9.451 2.708 -5.598 1.00 12.31 H new ATOM 396 N ASN A 28 -6.331 5.544 -11.051 1.00 52.54 N ATOM 397 CA ASN A 28 -5.272 6.521 -10.825 1.00 2.02 C ATOM 398 C ASN A 28 -3.898 5.861 -10.899 1.00 30.13 C ATOM 399 O ASN A 28 -2.978 6.234 -10.172 1.00 54.41 O ATOM 400 CB ASN A 28 -5.454 7.194 -9.463 1.00 14.20 C ATOM 401 CG ASN A 28 -4.711 8.513 -9.365 1.00 24.05 C ATOM 402 OD1 ASN A 28 -5.008 9.460 -10.093 1.00 41.04 O ATOM 403 ND2 ASN A 28 -3.738 8.579 -8.464 1.00 74.35 N ATOM 0 H ASN A 28 -6.914 5.735 -11.866 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.335 7.277 -11.608 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -6.516 7.364 -9.284 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -5.102 6.523 -8.679 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -3.202 9.440 -8.354 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -3.526 7.769 -7.882 1.00 74.35 H new ATOM 410 N GLY A 29 -3.767 4.878 -11.785 1.00 74.33 N ATOM 411 CA GLY A 29 -2.502 4.182 -11.939 1.00 71.42 C ATOM 412 C GLY A 29 -2.059 3.497 -10.662 1.00 42.04 C ATOM 413 O GLY A 29 -0.866 3.285 -10.445 1.00 24.02 O ATOM 0 H GLY A 29 -4.514 4.551 -12.398 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.593 3.441 -12.733 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.736 4.892 -12.252 1.00 71.42 H new ATOM 417 N LYS A 30 -3.021 3.150 -9.814 1.00 63.53 N ATOM 418 CA LYS A 30 -2.725 2.483 -8.552 1.00 43.44 C ATOM 419 C LYS A 30 -3.580 1.231 -8.383 1.00 71.13 C ATOM 420 O LYS A 30 -4.733 1.193 -8.812 1.00 11.40 O ATOM 421 CB LYS A 30 -2.963 3.439 -7.380 1.00 33.24 C ATOM 422 CG LYS A 30 -2.327 4.805 -7.569 1.00 74.01 C ATOM 423 CD LYS A 30 -1.851 5.387 -6.248 1.00 25.24 C ATOM 424 CE LYS A 30 -0.373 5.109 -6.016 1.00 11.40 C ATOM 425 NZ LYS A 30 0.085 5.617 -4.694 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.013 3.320 -9.978 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.677 2.185 -8.564 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -4.036 3.564 -7.237 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.570 2.988 -6.469 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.485 4.723 -8.256 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.047 5.482 -8.027 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -2.026 6.463 -6.239 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -2.435 4.963 -5.431 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -0.191 4.036 -6.076 1.00 11.40 H new ATOM 0 HE3 LYS A 30 0.213 5.576 -6.808 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 1.113 5.485 -4.609 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 -0.142 6.629 -4.613 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 -0.396 5.093 -3.935 1.00 10.43 H new ATOM 439 N CYS A 31 -3.007 0.210 -7.755 1.00 43.43 N ATOM 440 CA CYS A 31 -3.717 -1.044 -7.529 1.00 4.11 C ATOM 441 C CYS A 31 -4.134 -1.175 -6.066 1.00 40.43 C ATOM 442 O CYS A 31 -3.291 -1.222 -5.170 1.00 21.25 O ATOM 443 CB CYS A 31 -2.838 -2.230 -7.929 1.00 55.25 C ATOM 444 SG CYS A 31 -3.543 -3.855 -7.501 1.00 65.24 S ATOM 0 H CYS A 31 -2.053 0.226 -7.394 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.615 -1.042 -8.146 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.664 -2.193 -9.004 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.867 -2.128 -7.445 1.00 55.25 H new ATOM 449 N LYS A 32 -5.441 -1.236 -5.834 1.00 74.21 N ATOM 450 CA LYS A 32 -5.973 -1.364 -4.482 1.00 53.14 C ATOM 451 C LYS A 32 -6.715 -2.686 -4.313 1.00 52.43 C ATOM 452 O LYS A 32 -7.886 -2.802 -4.675 1.00 3.45 O ATOM 453 CB LYS A 32 -6.910 -0.196 -4.167 1.00 62.41 C ATOM 454 CG LYS A 32 -7.687 -0.372 -2.875 1.00 24.11 C ATOM 455 CD LYS A 32 -6.761 -0.600 -1.693 1.00 63.34 C ATOM 456 CE LYS A 32 -7.327 0.001 -0.416 1.00 71.20 C ATOM 457 NZ LYS A 32 -7.256 1.489 -0.425 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.152 -1.199 -6.565 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.135 -1.346 -3.785 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.325 0.722 -4.107 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.613 -0.073 -4.990 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.298 0.512 -2.694 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -8.369 -1.217 -2.972 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -6.604 -1.670 -1.554 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -5.787 -0.159 -1.903 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -8.364 -0.313 -0.295 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -6.776 -0.384 0.442 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -7.373 1.848 0.544 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -6.332 1.790 -0.796 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -8.013 1.869 -1.029 1.00 24.04 H new ATOM 471 N CYS A 33 -6.027 -3.678 -3.759 1.00 32.12 N ATOM 472 CA CYS A 33 -6.621 -4.991 -3.540 1.00 63.03 C ATOM 473 C CYS A 33 -7.806 -4.900 -2.581 1.00 61.42 C ATOM 474 O CYS A 33 -7.703 -4.309 -1.506 1.00 15.41 O ATOM 475 CB CYS A 33 -5.576 -5.961 -2.985 1.00 75.43 C ATOM 476 SG CYS A 33 -4.674 -6.893 -4.264 1.00 63.24 S ATOM 0 H CYS A 33 -5.057 -3.598 -3.453 1.00 32.12 H new ATOM 0 HA CYS A 33 -6.980 -5.364 -4.499 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -4.859 -5.401 -2.385 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.069 -6.666 -2.316 1.00 75.43 H new ATOM 481 N TYR A 34 -8.928 -5.489 -2.980 1.00 11.34 N ATOM 482 CA TYR A 34 -10.132 -5.472 -2.159 1.00 13.21 C ATOM 483 C TYR A 34 -10.040 -6.499 -1.034 1.00 65.13 C ATOM 484 O TYR A 34 -10.528 -6.272 0.072 1.00 3.32 O ATOM 485 CB TYR A 34 -11.366 -5.752 -3.019 1.00 53.31 C ATOM 486 CG TYR A 34 -11.764 -4.591 -3.902 1.00 31.41 C ATOM 487 CD1 TYR A 34 -12.106 -4.792 -5.234 1.00 74.15 C ATOM 488 CD2 TYR A 34 -11.797 -3.294 -3.406 1.00 73.21 C ATOM 489 CE1 TYR A 34 -12.469 -3.735 -6.045 1.00 23.02 C ATOM 490 CE2 TYR A 34 -12.161 -2.231 -4.209 1.00 71.21 C ATOM 491 CZ TYR A 34 -12.495 -2.456 -5.529 1.00 70.55 C ATOM 492 OH TYR A 34 -12.857 -1.399 -6.332 1.00 44.45 O ATOM 0 H TYR A 34 -9.028 -5.984 -3.866 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.223 -4.481 -1.715 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.173 -6.624 -3.644 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.202 -6.006 -2.368 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -12.088 -5.792 -5.642 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -11.533 -3.114 -2.374 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -12.731 -3.909 -7.078 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -12.184 -1.229 -3.806 1.00 71.21 H new ATOM 0 HH TYR A 34 -12.824 -0.568 -5.813 1.00 44.45 H new ATOM 502 N GLY A 35 -9.408 -7.632 -1.327 1.00 60.11 N ATOM 503 CA GLY A 35 -9.261 -8.677 -0.331 1.00 31.44 C ATOM 504 C GLY A 35 -10.516 -9.513 -0.178 1.00 22.31 C ATOM 505 O GLY A 35 -11.538 -9.233 -0.806 1.00 24.14 O ATOM 0 H GLY A 35 -8.996 -7.844 -2.235 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.429 -9.324 -0.608 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.009 -8.227 0.629 1.00 31.44 H new ATOM 509 N CYS A 36 -10.441 -10.544 0.657 1.00 75.53 N ATOM 510 CA CYS A 36 -11.578 -11.425 0.889 1.00 65.11 C ATOM 511 C CYS A 36 -12.422 -10.927 2.059 1.00 41.33 C ATOM 512 O CYS A 36 -11.954 -10.869 3.196 1.00 10.24 O ATOM 513 CB CYS A 36 -11.098 -12.852 1.164 1.00 42.43 C ATOM 514 SG CYS A 36 -10.018 -13.535 -0.134 1.00 34.34 S ATOM 0 H CYS A 36 -9.603 -10.790 1.185 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.195 -11.423 -0.009 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.562 -12.867 2.113 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -11.967 -13.501 1.278 1.00 42.43 H new ATOM 519 N VAL A 37 -13.669 -10.567 1.771 1.00 53.23 N ATOM 520 CA VAL A 37 -14.579 -10.075 2.798 1.00 44.41 C ATOM 521 C VAL A 37 -15.859 -10.903 2.842 1.00 14.31 C ATOM 522 O VAL A 37 -16.734 -10.670 3.675 1.00 1.24 O ATOM 523 CB VAL A 37 -14.946 -8.597 2.563 1.00 11.13 C ATOM 524 CG1 VAL A 37 -13.743 -7.702 2.820 1.00 21.55 C ATOM 525 CG2 VAL A 37 -15.477 -8.399 1.151 1.00 35.32 C ATOM 0 H VAL A 37 -14.072 -10.607 0.835 1.00 53.23 H new ATOM 0 HA VAL A 37 -14.058 -10.166 3.751 1.00 44.41 H new ATOM 0 HB VAL A 37 -15.732 -8.319 3.265 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -14.020 -6.662 2.649 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -13.412 -7.825 3.851 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -12.934 -7.977 2.144 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -15.731 -7.350 1.002 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -14.714 -8.693 0.431 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -16.367 -9.012 1.008 1.00 35.32 H new