USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 329 hydrogens (3 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -59:sc= 0.276 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -118:sc= 0.595 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 25.327 -14.199 4.371 1.00 0.00 C HETATM 2 O ACE A 1 26.476 -13.894 4.119 1.00 0.00 O HETATM 3 CH3 ACE A 1 24.969 -14.962 5.648 1.00 0.00 C HETATM 0 H1 ACE A 1 24.278 -14.367 6.246 1.00 0.00 H new HETATM 0 H2 ACE A 1 24.499 -15.910 5.386 1.00 0.00 H new HETATM 0 H3 ACE A 1 25.875 -15.153 6.224 1.00 0.00 H new ATOM 7 N ARG A 2 24.351 -13.889 3.561 1.00 0.00 N ATOM 8 CA ARG A 2 24.635 -13.148 2.301 1.00 0.00 C ATOM 9 C ARG A 2 24.528 -11.644 2.557 1.00 0.00 C ATOM 10 O ARG A 2 23.789 -11.201 3.414 1.00 0.00 O ATOM 11 CB ARG A 2 23.618 -13.552 1.231 1.00 0.00 C ATOM 12 CG ARG A 2 24.340 -14.245 0.075 1.00 0.00 C ATOM 13 CD ARG A 2 24.741 -13.206 -0.975 1.00 0.00 C ATOM 14 NE ARG A 2 26.223 -13.212 -1.138 1.00 0.00 N ATOM 15 CZ ARG A 2 26.753 -13.096 -2.325 1.00 0.00 C ATOM 16 NH1 ARG A 2 26.540 -14.015 -3.227 1.00 0.00 N ATOM 17 NH2 ARG A 2 27.495 -12.061 -2.610 1.00 0.00 N ATOM 0 H ARG A 2 23.369 -14.117 3.718 1.00 0.00 H new ATOM 0 HA ARG A 2 25.641 -13.389 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.870 -14.220 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 2 23.088 -12.672 0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 2 25.224 -14.764 0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 2 23.692 -14.998 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.259 -13.430 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.402 -12.216 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 2 26.824 -13.307 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 2 25.959 -14.824 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 2 26.954 -13.925 -4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 2 27.661 -11.343 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 2 27.909 -11.970 -3.538 1.00 0.00 H new ATOM 31 N TYR A 3 25.256 -10.855 1.816 1.00 0.00 N ATOM 32 CA TYR A 3 25.192 -9.380 2.013 1.00 0.00 C ATOM 33 C TYR A 3 25.404 -9.048 3.490 1.00 0.00 C ATOM 34 O TYR A 3 24.501 -8.587 4.159 1.00 0.00 O ATOM 35 CB TYR A 3 23.822 -8.868 1.567 1.00 0.00 C ATOM 36 CG TYR A 3 23.955 -8.174 0.233 1.00 0.00 C ATOM 37 CD1 TYR A 3 24.780 -8.718 -0.759 1.00 0.00 C ATOM 38 CD2 TYR A 3 23.256 -6.987 -0.009 1.00 0.00 C ATOM 39 CE1 TYR A 3 24.903 -8.074 -1.996 1.00 0.00 C ATOM 40 CE2 TYR A 3 23.379 -6.343 -1.245 1.00 0.00 C ATOM 41 CZ TYR A 3 24.203 -6.886 -2.238 1.00 0.00 C ATOM 42 OH TYR A 3 24.324 -6.251 -3.457 1.00 0.00 O ATOM 0 H TYR A 3 25.892 -11.168 1.083 1.00 0.00 H new ATOM 0 HA TYR A 3 25.972 -8.901 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 3 23.119 -9.698 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 3 23.420 -8.179 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 3 25.321 -9.633 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 3 22.622 -6.568 0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 3 25.537 -8.493 -2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 3 22.838 -5.427 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 3 23.772 -5.441 -3.460 1.00 0.00 H new ATOM 52 N PRO A 4 26.600 -9.293 3.949 1.00 0.00 N ATOM 53 CA PRO A 4 27.072 -9.058 5.351 1.00 0.00 C ATOM 54 C PRO A 4 27.572 -7.619 5.506 1.00 0.00 C ATOM 55 O PRO A 4 26.829 -6.728 5.868 1.00 0.00 O ATOM 56 CB PRO A 4 28.212 -10.044 5.564 1.00 0.00 C ATOM 57 CG PRO A 4 28.762 -10.373 4.191 1.00 0.00 C ATOM 58 CD PRO A 4 27.749 -9.864 3.164 1.00 0.00 C ATOM 0 HA PRO A 4 26.274 -9.200 6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 4 28.986 -9.611 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 4 27.857 -10.944 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 4 29.732 -9.899 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 4 28.912 -11.447 4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 4 28.195 -9.105 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.413 -10.673 2.516 1.00 0.00 H new ATOM 66 N TYR A 5 28.827 -7.386 5.235 1.00 0.00 N ATOM 67 CA TYR A 5 29.379 -6.007 5.367 1.00 0.00 C ATOM 68 C TYR A 5 28.766 -5.100 4.297 1.00 0.00 C ATOM 69 O TYR A 5 28.781 -3.892 4.411 1.00 0.00 O ATOM 70 CB TYR A 5 30.895 -6.051 5.177 1.00 0.00 C ATOM 71 CG TYR A 5 31.477 -7.179 5.996 1.00 0.00 C ATOM 72 CD1 TYR A 5 31.383 -7.151 7.393 1.00 0.00 C ATOM 73 CD2 TYR A 5 32.110 -8.254 5.358 1.00 0.00 C ATOM 74 CE1 TYR A 5 31.922 -8.196 8.152 1.00 0.00 C ATOM 75 CE2 TYR A 5 32.648 -9.299 6.118 1.00 0.00 C ATOM 76 CZ TYR A 5 32.554 -9.270 7.515 1.00 0.00 C ATOM 77 OH TYR A 5 33.086 -10.301 8.263 1.00 0.00 O ATOM 0 H TYR A 5 29.496 -8.092 4.927 1.00 0.00 H new ATOM 0 HA TYR A 5 29.139 -5.616 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 5 31.135 -6.192 4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 5 31.337 -5.102 5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 5 30.894 -6.323 7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 5 32.183 -8.276 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 5 31.850 -8.174 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 5 33.136 -10.128 5.627 1.00 0.00 H new ATOM 0 HH TYR A 5 33.487 -10.966 7.665 1.00 0.00 H new ATOM 87 N TYR A 6 28.241 -5.676 3.252 1.00 0.00 N ATOM 88 CA TYR A 6 27.639 -4.857 2.159 1.00 0.00 C ATOM 89 C TYR A 6 26.390 -4.126 2.662 1.00 0.00 C ATOM 90 O TYR A 6 26.324 -2.912 2.660 1.00 0.00 O ATOM 91 CB TYR A 6 27.246 -5.782 1.004 1.00 0.00 C ATOM 92 CG TYR A 6 27.496 -5.094 -0.318 1.00 0.00 C ATOM 93 CD1 TYR A 6 26.582 -4.149 -0.799 1.00 0.00 C ATOM 94 CD2 TYR A 6 28.638 -5.406 -1.065 1.00 0.00 C ATOM 95 CE1 TYR A 6 26.811 -3.515 -2.027 1.00 0.00 C ATOM 96 CE2 TYR A 6 28.868 -4.772 -2.292 1.00 0.00 C ATOM 97 CZ TYR A 6 27.953 -3.827 -2.773 1.00 0.00 C ATOM 98 OH TYR A 6 28.178 -3.203 -3.983 1.00 0.00 O ATOM 0 H TYR A 6 28.202 -6.685 3.106 1.00 0.00 H new ATOM 0 HA TYR A 6 28.369 -4.119 1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 6 27.821 -6.707 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 6 26.194 -6.055 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 6 25.700 -3.909 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 6 29.342 -6.136 -0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 6 26.106 -2.786 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 6 29.750 -5.011 -2.867 1.00 0.00 H new ATOM 0 HH TYR A 6 29.015 -3.533 -4.371 1.00 0.00 H new ATOM 108 N LEU A 7 25.392 -4.858 3.068 1.00 0.00 N ATOM 109 CA LEU A 7 24.131 -4.219 3.546 1.00 0.00 C ATOM 110 C LEU A 7 24.393 -3.366 4.793 1.00 0.00 C ATOM 111 O LEU A 7 24.048 -2.202 4.841 1.00 0.00 O ATOM 112 CB LEU A 7 23.116 -5.313 3.884 1.00 0.00 C ATOM 113 CG LEU A 7 21.744 -4.684 4.121 1.00 0.00 C ATOM 114 CD1 LEU A 7 20.672 -5.776 4.109 1.00 0.00 C ATOM 115 CD2 LEU A 7 21.736 -3.979 5.479 1.00 0.00 C ATOM 0 H LEU A 7 25.394 -5.878 3.090 1.00 0.00 H new ATOM 0 HA LEU A 7 23.742 -3.572 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 7 23.060 -6.035 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 7 23.436 -5.858 4.772 1.00 0.00 H new ATOM 0 HG LEU A 7 21.535 -3.961 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.693 -5.327 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.678 -6.281 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.880 -6.499 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.758 -3.530 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.945 -4.703 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 22.500 -3.201 5.490 1.00 0.00 H new ATOM 127 N SER A 8 24.982 -3.936 5.808 1.00 0.00 N ATOM 128 CA SER A 8 25.244 -3.158 7.056 1.00 0.00 C ATOM 129 C SER A 8 26.057 -1.895 6.747 1.00 0.00 C ATOM 130 O SER A 8 26.166 -1.007 7.569 1.00 0.00 O ATOM 131 CB SER A 8 26.022 -4.029 8.042 1.00 0.00 C ATOM 132 OG SER A 8 25.150 -4.455 9.081 1.00 0.00 O ATOM 0 H SER A 8 25.294 -4.907 5.829 1.00 0.00 H new ATOM 0 HA SER A 8 24.289 -2.863 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 8 26.443 -4.893 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 26.858 -3.468 8.460 1.00 0.00 H new ATOM 0 HG SER A 8 25.645 -5.015 9.714 1.00 0.00 H new ATOM 138 N ASP A 9 26.639 -1.807 5.583 1.00 0.00 N ATOM 139 CA ASP A 9 27.452 -0.603 5.250 1.00 0.00 C ATOM 140 C ASP A 9 26.578 0.469 4.591 1.00 0.00 C ATOM 141 O ASP A 9 26.652 1.634 4.927 1.00 0.00 O ATOM 142 CB ASP A 9 28.569 -1.001 4.285 1.00 0.00 C ATOM 143 CG ASP A 9 29.887 -1.122 5.051 1.00 0.00 C ATOM 144 OD1 ASP A 9 29.962 -1.960 5.934 1.00 0.00 O ATOM 145 OD2 ASP A 9 30.798 -0.372 4.743 1.00 0.00 O ATOM 0 H ASP A 9 26.587 -2.514 4.850 1.00 0.00 H new ATOM 0 HA ASP A 9 27.875 -0.199 6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 9 28.328 -1.949 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 9 28.663 -0.257 3.494 1.00 0.00 H new ATOM 150 N ILE A 10 25.767 0.091 3.642 1.00 0.00 N ATOM 151 CA ILE A 10 24.909 1.095 2.948 1.00 0.00 C ATOM 152 C ILE A 10 23.838 1.640 3.898 1.00 0.00 C ATOM 153 O ILE A 10 23.089 2.530 3.548 1.00 0.00 O ATOM 154 CB ILE A 10 24.222 0.436 1.751 1.00 0.00 C ATOM 155 CG1 ILE A 10 25.268 -0.260 0.876 1.00 0.00 C ATOM 156 CG2 ILE A 10 23.499 1.504 0.930 1.00 0.00 C ATOM 157 CD1 ILE A 10 24.563 -1.135 -0.163 1.00 0.00 C ATOM 0 H ILE A 10 25.661 -0.870 3.316 1.00 0.00 H new ATOM 0 HA ILE A 10 25.540 1.919 2.615 1.00 0.00 H new ATOM 0 HB ILE A 10 23.502 -0.301 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 10 25.893 0.481 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 10 25.927 -0.870 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 10 23.009 1.036 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 10 22.752 1.997 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.220 2.241 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.307 -1.631 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 10 23.957 -1.885 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 10 23.922 -0.513 -0.788 1.00 0.00 H new ATOM 169 N THR A 11 23.740 1.112 5.085 1.00 0.00 N ATOM 170 CA THR A 11 22.693 1.611 6.024 1.00 0.00 C ATOM 171 C THR A 11 23.204 2.818 6.819 1.00 0.00 C ATOM 172 O THR A 11 22.521 3.814 6.945 1.00 0.00 O ATOM 173 CB THR A 11 22.274 0.493 6.988 1.00 0.00 C ATOM 174 OG1 THR A 11 21.489 1.047 8.034 1.00 0.00 O ATOM 175 CG2 THR A 11 23.507 -0.190 7.587 1.00 0.00 C ATOM 0 H THR A 11 24.332 0.364 5.445 1.00 0.00 H new ATOM 0 HA THR A 11 21.829 1.923 5.437 1.00 0.00 H new ATOM 0 HB THR A 11 21.695 -0.248 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.218 0.336 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.190 -0.980 8.268 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.109 -0.620 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.100 0.544 8.133 1.00 0.00 H new ATOM 183 N ASP A 12 24.388 2.747 7.363 1.00 0.00 N ATOM 184 CA ASP A 12 24.908 3.901 8.147 1.00 0.00 C ATOM 185 C ASP A 12 25.675 4.845 7.221 1.00 0.00 C ATOM 186 O ASP A 12 25.814 6.021 7.491 1.00 0.00 O ATOM 187 CB ASP A 12 25.841 3.393 9.246 1.00 0.00 C ATOM 188 CG ASP A 12 25.152 3.533 10.604 1.00 0.00 C ATOM 189 OD1 ASP A 12 23.935 3.440 10.641 1.00 0.00 O ATOM 190 OD2 ASP A 12 25.851 3.731 11.584 1.00 0.00 O ATOM 0 H ASP A 12 25.014 1.944 7.299 1.00 0.00 H new ATOM 0 HA ASP A 12 24.073 4.437 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.101 2.350 9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 12 26.772 3.960 9.238 1.00 0.00 H new ATOM 195 N ALA A 13 26.174 4.336 6.129 1.00 0.00 N ATOM 196 CA ALA A 13 26.931 5.190 5.179 1.00 0.00 C ATOM 197 C ALA A 13 26.064 5.463 3.951 1.00 0.00 C ATOM 198 O ALA A 13 26.532 5.436 2.830 1.00 0.00 O ATOM 199 CB ALA A 13 28.211 4.468 4.755 1.00 0.00 C ATOM 0 H ALA A 13 26.088 3.357 5.854 1.00 0.00 H new ATOM 0 HA ALA A 13 27.192 6.133 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 13 28.768 5.094 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 13 28.825 4.269 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 13 27.954 3.526 4.271 1.00 0.00 H new ATOM 205 N PHE A 14 24.803 5.726 4.152 1.00 0.00 N ATOM 206 CA PHE A 14 23.909 5.998 2.994 1.00 0.00 C ATOM 207 C PHE A 14 24.543 7.080 2.124 1.00 0.00 C ATOM 208 O PHE A 14 24.838 6.849 0.972 1.00 0.00 O ATOM 209 CB PHE A 14 22.541 6.465 3.499 1.00 0.00 C ATOM 210 CG PHE A 14 21.488 6.158 2.460 1.00 0.00 C ATOM 211 CD1 PHE A 14 21.324 4.848 1.996 1.00 0.00 C ATOM 212 CD2 PHE A 14 20.672 7.184 1.966 1.00 0.00 C ATOM 213 CE1 PHE A 14 20.345 4.561 1.038 1.00 0.00 C ATOM 214 CE2 PHE A 14 19.692 6.898 1.007 1.00 0.00 C ATOM 215 CZ PHE A 14 19.529 5.586 0.543 1.00 0.00 C ATOM 0 H PHE A 14 24.354 5.764 5.067 1.00 0.00 H new ATOM 0 HA PHE A 14 23.775 5.090 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 14 22.298 5.966 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 14 22.563 7.535 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 14 21.954 4.058 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 14 20.798 8.195 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 14 20.219 3.550 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 14 19.062 7.688 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 14 18.774 5.365 -0.197 1.00 0.00 H new ATOM 225 N SER A 15 24.766 8.243 2.694 1.00 0.00 N ATOM 226 CA SER A 15 25.405 9.391 1.956 1.00 0.00 C ATOM 227 C SER A 15 25.272 9.225 0.436 1.00 0.00 C ATOM 228 O SER A 15 25.971 8.434 -0.161 1.00 0.00 O ATOM 229 CB SER A 15 26.887 9.458 2.339 1.00 0.00 C ATOM 230 OG SER A 15 27.693 9.392 1.167 1.00 0.00 O ATOM 0 H SER A 15 24.527 8.452 3.663 1.00 0.00 H new ATOM 0 HA SER A 15 24.895 10.313 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 15 27.091 10.382 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 15 27.136 8.635 3.009 1.00 0.00 H new ATOM 0 HG SER A 15 27.508 8.557 0.689 1.00 0.00 H new ATOM 236 N PRO A 16 24.381 9.988 -0.143 1.00 0.00 N ATOM 237 CA PRO A 16 24.060 10.015 -1.605 1.00 0.00 C ATOM 238 C PRO A 16 24.951 11.034 -2.314 1.00 0.00 C ATOM 239 O PRO A 16 25.832 10.684 -3.077 1.00 0.00 O ATOM 240 CB PRO A 16 22.601 10.442 -1.684 1.00 0.00 C ATOM 241 CG PRO A 16 22.309 11.214 -0.410 1.00 0.00 C ATOM 242 CD PRO A 16 23.499 11.002 0.527 1.00 0.00 C ATOM 0 HA PRO A 16 24.227 9.050 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 16 22.425 11.063 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 16 21.947 9.574 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 16 22.172 12.274 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 16 21.387 10.860 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.036 11.936 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.168 10.647 1.503 1.00 0.00 H new ATOM 250 N GLN A 17 24.736 12.296 -2.059 1.00 0.00 N ATOM 251 CA GLN A 17 25.581 13.334 -2.713 1.00 0.00 C ATOM 252 C GLN A 17 27.043 13.031 -2.401 1.00 0.00 C ATOM 253 O GLN A 17 27.896 13.036 -3.268 1.00 0.00 O ATOM 254 CB GLN A 17 25.213 14.716 -2.169 1.00 0.00 C ATOM 255 CG GLN A 17 25.770 15.796 -3.099 1.00 0.00 C ATOM 256 CD GLN A 17 25.924 17.106 -2.324 1.00 0.00 C ATOM 257 OE1 GLN A 17 25.235 17.333 -1.349 1.00 0.00 O ATOM 258 NE2 GLN A 17 26.805 17.983 -2.719 1.00 0.00 N ATOM 0 H GLN A 17 24.016 12.651 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 17 25.418 13.326 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.130 14.811 -2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.617 14.842 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.734 15.483 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.102 15.940 -3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 17 27.383 17.792 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.916 18.860 -2.209 1.00 0.00 H new ATOM 267 N VAL A 18 27.329 12.746 -1.165 1.00 0.00 N ATOM 268 CA VAL A 18 28.722 12.415 -0.773 1.00 0.00 C ATOM 269 C VAL A 18 29.111 11.092 -1.427 1.00 0.00 C ATOM 270 O VAL A 18 30.258 10.836 -1.685 1.00 0.00 O ATOM 271 CB VAL A 18 28.796 12.281 0.744 1.00 0.00 C ATOM 272 CG1 VAL A 18 30.135 11.659 1.143 1.00 0.00 C ATOM 273 CG2 VAL A 18 28.664 13.666 1.385 1.00 0.00 C ATOM 0 H VAL A 18 26.651 12.728 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 18 29.404 13.201 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 18 27.985 11.640 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 18 30.184 11.565 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 18 30.228 10.672 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 30.949 12.296 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 18 28.717 13.571 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 18 29.474 14.307 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 18 27.707 14.107 1.105 1.00 0.00 H new ATOM 283 N LEU A 19 28.167 10.245 -1.710 1.00 0.00 N ATOM 284 CA LEU A 19 28.526 8.956 -2.363 1.00 0.00 C ATOM 285 C LEU A 19 29.364 9.256 -3.605 1.00 0.00 C ATOM 286 O LEU A 19 30.365 8.619 -3.864 1.00 0.00 O ATOM 287 CB LEU A 19 27.257 8.212 -2.785 1.00 0.00 C ATOM 288 CG LEU A 19 27.474 6.705 -2.645 1.00 0.00 C ATOM 289 CD1 LEU A 19 27.266 6.290 -1.187 1.00 0.00 C ATOM 290 CD2 LEU A 19 26.471 5.964 -3.532 1.00 0.00 C ATOM 0 H LEU A 19 27.174 10.384 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 19 29.087 8.336 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.416 8.527 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 19 27.005 8.459 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 19 28.490 6.455 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 19 27.421 5.216 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.978 6.819 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 19 26.251 6.540 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.623 4.889 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 19 25.457 6.216 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 26.618 6.258 -4.571 1.00 0.00 H new ATOM 302 N ALA A 20 28.956 10.227 -4.374 1.00 0.00 N ATOM 303 CA ALA A 20 29.718 10.583 -5.605 1.00 0.00 C ATOM 304 C ALA A 20 31.078 11.151 -5.223 1.00 0.00 C ATOM 305 O ALA A 20 32.096 10.732 -5.721 1.00 0.00 O ATOM 306 CB ALA A 20 28.945 11.645 -6.382 1.00 0.00 C ATOM 0 H ALA A 20 28.124 10.792 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 20 29.852 9.690 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.497 11.910 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.966 11.253 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.819 12.531 -5.760 1.00 0.00 H new ATOM 312 N ALA A 21 31.091 12.109 -4.349 1.00 0.00 N ATOM 313 CA ALA A 21 32.378 12.726 -3.919 1.00 0.00 C ATOM 314 C ALA A 21 33.306 11.636 -3.382 1.00 0.00 C ATOM 315 O ALA A 21 34.359 11.363 -3.922 1.00 0.00 O ATOM 316 CB ALA A 21 32.080 13.737 -2.807 1.00 0.00 C ATOM 0 H ALA A 21 30.259 12.499 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 21 32.859 13.224 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 21 33.010 14.200 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 21 31.406 14.505 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 21 31.612 13.225 -1.966 1.00 0.00 H new ATOM 322 N VAL A 22 32.908 11.029 -2.310 1.00 0.00 N ATOM 323 CA VAL A 22 33.717 9.951 -1.679 1.00 0.00 C ATOM 324 C VAL A 22 34.104 8.884 -2.710 1.00 0.00 C ATOM 325 O VAL A 22 35.161 8.293 -2.627 1.00 0.00 O ATOM 326 CB VAL A 22 32.886 9.300 -0.569 1.00 0.00 C ATOM 327 CG1 VAL A 22 33.641 8.097 -0.002 1.00 0.00 C ATOM 328 CG2 VAL A 22 32.642 10.320 0.546 1.00 0.00 C ATOM 0 H VAL A 22 32.033 11.237 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 22 34.630 10.385 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 22 31.931 8.968 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 22 33.049 7.635 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 22 33.817 7.371 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 22 34.596 8.427 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 22 32.051 9.859 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 22 33.598 10.650 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 22 32.103 11.178 0.143 1.00 0.00 H new ATOM 338 N ILE A 23 33.262 8.616 -3.674 1.00 0.00 N ATOM 339 CA ILE A 23 33.610 7.571 -4.681 1.00 0.00 C ATOM 340 C ILE A 23 34.580 8.151 -5.704 1.00 0.00 C ATOM 341 O ILE A 23 35.361 7.443 -6.303 1.00 0.00 O ATOM 342 CB ILE A 23 32.339 7.100 -5.388 1.00 0.00 C ATOM 343 CG1 ILE A 23 31.477 6.299 -4.409 1.00 0.00 C ATOM 344 CG2 ILE A 23 32.712 6.214 -6.578 1.00 0.00 C ATOM 345 CD1 ILE A 23 30.077 6.108 -4.994 1.00 0.00 C ATOM 0 H ILE A 23 32.358 9.070 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 23 34.079 6.725 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 23 31.780 7.967 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 23 31.936 5.330 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.415 6.820 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 23 31.805 5.879 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.325 6.783 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.272 5.348 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.465 5.537 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 23 29.619 7.082 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 23 30.148 5.568 -5.938 1.00 0.00 H new ATOM 357 N PHE A 24 34.545 9.434 -5.895 1.00 0.00 N ATOM 358 CA PHE A 24 35.474 10.070 -6.865 1.00 0.00 C ATOM 359 C PHE A 24 36.902 9.739 -6.443 1.00 0.00 C ATOM 360 O PHE A 24 37.685 9.217 -7.212 1.00 0.00 O ATOM 361 CB PHE A 24 35.261 11.590 -6.848 1.00 0.00 C ATOM 362 CG PHE A 24 35.886 12.220 -8.076 1.00 0.00 C ATOM 363 CD1 PHE A 24 36.664 11.449 -8.952 1.00 0.00 C ATOM 364 CD2 PHE A 24 35.687 13.582 -8.335 1.00 0.00 C ATOM 365 CE1 PHE A 24 37.239 12.040 -10.083 1.00 0.00 C ATOM 366 CE2 PHE A 24 36.264 14.172 -9.466 1.00 0.00 C ATOM 367 CZ PHE A 24 37.039 13.401 -10.340 1.00 0.00 C ATOM 0 H PHE A 24 33.910 10.075 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 24 35.289 9.700 -7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 24 34.195 11.815 -6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 24 35.702 12.016 -5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 24 36.819 10.399 -8.754 1.00 0.00 H new ATOM 0 HD2 PHE A 24 35.088 14.177 -7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 24 37.837 11.445 -10.758 1.00 0.00 H new ATOM 0 HE2 PHE A 24 36.111 15.223 -9.664 1.00 0.00 H new ATOM 0 HZ PHE A 24 37.483 13.857 -11.213 1.00 0.00 H new ATOM 377 N ILE A 25 37.239 10.018 -5.215 1.00 0.00 N ATOM 378 CA ILE A 25 38.608 9.694 -4.731 1.00 0.00 C ATOM 379 C ILE A 25 38.733 8.174 -4.618 1.00 0.00 C ATOM 380 O ILE A 25 39.766 7.607 -4.915 1.00 0.00 O ATOM 381 CB ILE A 25 38.841 10.335 -3.360 1.00 0.00 C ATOM 382 CG1 ILE A 25 38.730 11.857 -3.482 1.00 0.00 C ATOM 383 CG2 ILE A 25 40.239 9.969 -2.857 1.00 0.00 C ATOM 384 CD1 ILE A 25 37.275 12.281 -3.278 1.00 0.00 C ATOM 0 H ILE A 25 36.626 10.456 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 25 39.351 10.081 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 25 38.092 9.969 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.368 12.339 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.080 12.180 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.405 10.425 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.322 8.886 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.986 10.335 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.196 13.365 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 25 36.649 11.810 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.941 11.971 -2.288 1.00 0.00 H new ATOM 396 N TYR A 26 37.682 7.500 -4.219 1.00 0.00 N ATOM 397 CA TYR A 26 37.758 6.018 -4.128 1.00 0.00 C ATOM 398 C TYR A 26 37.963 5.467 -5.538 1.00 0.00 C ATOM 399 O TYR A 26 38.347 4.332 -5.731 1.00 0.00 O ATOM 400 CB TYR A 26 36.459 5.466 -3.540 1.00 0.00 C ATOM 401 CG TYR A 26 36.790 4.417 -2.509 1.00 0.00 C ATOM 402 CD1 TYR A 26 37.081 3.108 -2.911 1.00 0.00 C ATOM 403 CD2 TYR A 26 36.811 4.754 -1.151 1.00 0.00 C ATOM 404 CE1 TYR A 26 37.394 2.136 -1.954 1.00 0.00 C ATOM 405 CE2 TYR A 26 37.124 3.782 -0.194 1.00 0.00 C ATOM 406 CZ TYR A 26 37.415 2.473 -0.595 1.00 0.00 C ATOM 407 OH TYR A 26 37.724 1.515 0.348 1.00 0.00 O ATOM 0 H TYR A 26 36.786 7.911 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 26 38.584 5.721 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 26 35.880 6.270 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 26 35.842 5.036 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 26 37.064 2.848 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 26 36.586 5.764 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.619 1.126 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 26 37.141 4.042 0.854 1.00 0.00 H new ATOM 0 HH TYR A 26 37.695 1.915 1.242 1.00 0.00 H new ATOM 417 N PHE A 27 37.719 6.286 -6.521 1.00 0.00 N ATOM 418 CA PHE A 27 37.900 5.867 -7.932 1.00 0.00 C ATOM 419 C PHE A 27 39.328 6.193 -8.347 1.00 0.00 C ATOM 420 O PHE A 27 39.886 5.607 -9.253 1.00 0.00 O ATOM 421 CB PHE A 27 36.947 6.687 -8.798 1.00 0.00 C ATOM 422 CG PHE A 27 36.181 5.779 -9.730 1.00 0.00 C ATOM 423 CD1 PHE A 27 36.859 5.064 -10.724 1.00 0.00 C ATOM 424 CD2 PHE A 27 34.793 5.654 -9.601 1.00 0.00 C ATOM 425 CE1 PHE A 27 36.149 4.223 -11.589 1.00 0.00 C ATOM 426 CE2 PHE A 27 34.082 4.814 -10.467 1.00 0.00 C ATOM 427 CZ PHE A 27 34.761 4.098 -11.460 1.00 0.00 C ATOM 0 H PHE A 27 37.396 7.246 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 27 37.702 4.801 -8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 27 36.253 7.240 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 27 37.508 7.422 -9.374 1.00 0.00 H new ATOM 0 HD1 PHE A 27 37.930 5.161 -10.824 1.00 0.00 H new ATOM 0 HD2 PHE A 27 34.270 6.205 -8.834 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.672 3.671 -12.356 1.00 0.00 H new ATOM 0 HE2 PHE A 27 33.011 4.719 -10.369 1.00 0.00 H new ATOM 0 HZ PHE A 27 34.213 3.449 -12.127 1.00 0.00 H new ATOM 437 N ALA A 28 39.896 7.164 -7.700 1.00 0.00 N ATOM 438 CA ALA A 28 41.271 7.606 -8.038 1.00 0.00 C ATOM 439 C ALA A 28 42.329 6.751 -7.330 1.00 0.00 C ATOM 440 O ALA A 28 42.954 5.895 -7.926 1.00 0.00 O ATOM 441 CB ALA A 28 41.428 9.064 -7.594 1.00 0.00 C ATOM 0 H ALA A 28 39.458 7.680 -6.937 1.00 0.00 H new ATOM 0 HA ALA A 28 41.419 7.501 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.433 9.411 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 28 40.697 9.683 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.265 9.136 -6.519 1.00 0.00 H new ATOM 447 N ALA A 29 42.569 7.018 -6.077 1.00 0.00 N ATOM 448 CA ALA A 29 43.632 6.270 -5.333 1.00 0.00 C ATOM 449 C ALA A 29 43.093 5.027 -4.615 1.00 0.00 C ATOM 450 O ALA A 29 43.588 3.934 -4.799 1.00 0.00 O ATOM 451 CB ALA A 29 44.248 7.201 -4.292 1.00 0.00 C ATOM 0 H ALA A 29 42.075 7.724 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 29 44.368 5.936 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 29 45.024 6.669 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 29 44.685 8.066 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.475 7.533 -3.599 1.00 0.00 H new ATOM 457 N LEU A 30 42.125 5.193 -3.758 1.00 0.00 N ATOM 458 CA LEU A 30 41.595 4.030 -2.973 1.00 0.00 C ATOM 459 C LEU A 30 40.835 3.027 -3.855 1.00 0.00 C ATOM 460 O LEU A 30 40.214 2.111 -3.352 1.00 0.00 O ATOM 461 CB LEU A 30 40.664 4.550 -1.875 1.00 0.00 C ATOM 462 CG LEU A 30 41.421 5.557 -1.008 1.00 0.00 C ATOM 463 CD1 LEU A 30 40.426 6.455 -0.270 1.00 0.00 C ATOM 464 CD2 LEU A 30 42.279 4.804 0.011 1.00 0.00 C ATOM 0 H LEU A 30 41.672 6.086 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 30 42.447 3.504 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 30 39.787 5.021 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 30 40.306 3.722 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 30 42.059 6.172 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 30 40.970 7.171 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 30 39.813 6.992 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 30 39.785 5.843 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 30 42.820 5.519 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 41.638 4.189 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 30 42.991 4.167 -0.513 1.00 0.00 H new ATOM 476 N SER A 31 40.875 3.170 -5.150 1.00 0.00 N ATOM 477 CA SER A 31 40.150 2.199 -6.021 1.00 0.00 C ATOM 478 C SER A 31 40.396 0.766 -5.532 1.00 0.00 C ATOM 479 O SER A 31 39.470 -0.009 -5.391 1.00 0.00 O ATOM 480 CB SER A 31 40.645 2.336 -7.462 1.00 0.00 C ATOM 481 OG SER A 31 41.246 3.612 -7.635 1.00 0.00 O ATOM 0 H SER A 31 41.374 3.911 -5.642 1.00 0.00 H new ATOM 0 HA SER A 31 39.082 2.413 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.365 1.549 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 31 39.814 2.216 -8.157 1.00 0.00 H new ATOM 0 HG SER A 31 40.751 4.118 -8.313 1.00 0.00 H new ATOM 487 N PRO A 32 41.644 0.459 -5.305 1.00 0.00 N ATOM 488 CA PRO A 32 42.171 -0.866 -4.840 1.00 0.00 C ATOM 489 C PRO A 32 42.264 -0.918 -3.309 1.00 0.00 C ATOM 490 O PRO A 32 42.399 -1.975 -2.725 1.00 0.00 O ATOM 491 CB PRO A 32 43.560 -0.965 -5.457 1.00 0.00 C ATOM 492 CG PRO A 32 44.022 0.460 -5.714 1.00 0.00 C ATOM 493 CD PRO A 32 42.817 1.373 -5.467 1.00 0.00 C ATOM 0 HA PRO A 32 41.520 -1.688 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 32 44.247 -1.480 -4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 32 43.532 -1.537 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 32 44.847 0.723 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 32 44.386 0.569 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 32 42.964 1.983 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 32 42.667 2.058 -6.301 1.00 0.00 H new ATOM 501 N ALA A 33 42.200 0.209 -2.655 1.00 0.00 N ATOM 502 CA ALA A 33 42.291 0.216 -1.165 1.00 0.00 C ATOM 503 C ALA A 33 41.300 -0.791 -0.574 1.00 0.00 C ATOM 504 O ALA A 33 41.444 -1.228 0.550 1.00 0.00 O ATOM 505 CB ALA A 33 41.949 1.610 -0.647 1.00 0.00 C ATOM 0 H ALA A 33 42.089 1.126 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 33 43.304 -0.057 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 33 42.014 1.620 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 33 42.652 2.334 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 33 40.936 1.873 -0.952 1.00 0.00 H new ATOM 511 N ILE A 34 40.290 -1.142 -1.324 1.00 0.00 N ATOM 512 CA ILE A 34 39.261 -2.110 -0.828 1.00 0.00 C ATOM 513 C ILE A 34 39.903 -3.171 0.073 1.00 0.00 C ATOM 514 O ILE A 34 39.754 -3.147 1.279 1.00 0.00 O ATOM 515 CB ILE A 34 38.601 -2.804 -2.021 1.00 0.00 C ATOM 516 CG1 ILE A 34 37.920 -1.760 -2.910 1.00 0.00 C ATOM 517 CG2 ILE A 34 37.557 -3.802 -1.519 1.00 0.00 C ATOM 518 CD1 ILE A 34 37.312 -2.450 -4.133 1.00 0.00 C ATOM 0 H ILE A 34 40.130 -0.797 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 34 38.518 -1.560 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 34 39.361 -3.331 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 34 37.143 -1.240 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 38.643 -1.008 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 34 37.087 -4.296 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 34 38.040 -4.548 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 34 36.798 -3.275 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.827 -1.707 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.099 -2.950 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.576 -3.185 -3.808 1.00 0.00 H new ATOM 530 N THR A 35 40.604 -4.109 -0.502 1.00 0.00 N ATOM 531 CA THR A 35 41.242 -5.178 0.321 1.00 0.00 C ATOM 532 C THR A 35 42.407 -4.596 1.126 1.00 0.00 C ATOM 533 O THR A 35 42.639 -4.971 2.258 1.00 0.00 O ATOM 534 CB THR A 35 41.762 -6.284 -0.601 1.00 0.00 C ATOM 535 OG1 THR A 35 42.220 -7.377 0.185 1.00 0.00 O ATOM 536 CG2 THR A 35 42.914 -5.743 -1.449 1.00 0.00 C ATOM 0 H THR A 35 40.763 -4.182 -1.507 1.00 0.00 H new ATOM 0 HA THR A 35 40.504 -5.588 1.010 1.00 0.00 H new ATOM 0 HB THR A 35 40.959 -6.620 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 35 42.552 -8.087 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 43.284 -6.531 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 35 42.561 -4.906 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 35 43.720 -5.407 -0.796 1.00 0.00 H new ATOM 544 N PHE A 36 43.144 -3.691 0.550 1.00 0.00 N ATOM 545 CA PHE A 36 44.298 -3.093 1.280 1.00 0.00 C ATOM 546 C PHE A 36 43.790 -2.126 2.350 1.00 0.00 C ATOM 547 O PHE A 36 42.604 -1.903 2.491 1.00 0.00 O ATOM 548 CB PHE A 36 45.188 -2.337 0.293 1.00 0.00 C ATOM 549 CG PHE A 36 46.295 -3.245 -0.181 1.00 0.00 C ATOM 550 CD1 PHE A 36 47.455 -3.395 0.587 1.00 0.00 C ATOM 551 CD2 PHE A 36 46.160 -3.938 -1.390 1.00 0.00 C ATOM 552 CE1 PHE A 36 48.481 -4.239 0.146 1.00 0.00 C ATOM 553 CE2 PHE A 36 47.185 -4.782 -1.831 1.00 0.00 C ATOM 554 CZ PHE A 36 48.347 -4.933 -1.063 1.00 0.00 C ATOM 0 H PHE A 36 42.999 -3.338 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 36 44.872 -3.888 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 36 44.597 -1.992 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 36 45.608 -1.452 0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 36 47.559 -2.860 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 36 45.264 -3.821 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 36 49.376 -4.355 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 36 47.081 -5.317 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.139 -5.584 -1.403 1.00 0.00 H new ATOM 564 N GLY A 37 44.686 -1.547 3.105 1.00 0.00 N ATOM 565 CA GLY A 37 44.266 -0.590 4.167 1.00 0.00 C ATOM 566 C GLY A 37 43.253 -1.262 5.096 1.00 0.00 C ATOM 567 O GLY A 37 42.119 -0.839 5.200 1.00 0.00 O ATOM 0 H GLY A 37 45.692 -1.697 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 37 45.135 -0.261 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 37 43.826 0.299 3.715 1.00 0.00 H new ATOM 571 N GLY A 38 43.650 -2.305 5.776 1.00 0.00 N ATOM 572 CA GLY A 38 42.705 -2.995 6.697 1.00 0.00 C ATOM 573 C GLY A 38 42.477 -4.428 6.218 1.00 0.00 C ATOM 574 O GLY A 38 41.544 -4.705 5.493 1.00 0.00 O ATOM 0 H GLY A 38 44.586 -2.707 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 38 43.107 -2.999 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 38 41.757 -2.457 6.732 1.00 0.00 H new ATOM 578 N LEU A 39 43.323 -5.339 6.621 1.00 0.00 N ATOM 579 CA LEU A 39 43.161 -6.761 6.195 1.00 0.00 C ATOM 580 C LEU A 39 41.699 -7.185 6.374 1.00 0.00 C ATOM 581 O LEU A 39 41.305 -7.665 7.419 1.00 0.00 O ATOM 582 CB LEU A 39 44.059 -7.651 7.059 1.00 0.00 C ATOM 583 CG LEU A 39 44.992 -8.468 6.161 1.00 0.00 C ATOM 584 CD1 LEU A 39 44.180 -9.151 5.058 1.00 0.00 C ATOM 585 CD2 LEU A 39 46.031 -7.539 5.526 1.00 0.00 C ATOM 0 H LEU A 39 44.122 -5.159 7.229 1.00 0.00 H new ATOM 0 HA LEU A 39 43.442 -6.863 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 39 44.643 -7.038 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 39 43.449 -8.318 7.668 1.00 0.00 H new ATOM 0 HG LEU A 39 45.496 -9.226 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 39 44.848 -9.731 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 39 43.441 -9.814 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 39 43.673 -8.395 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 46.696 -8.120 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 39 45.524 -6.781 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 39 46.613 -7.055 6.310 1.00 0.00 H new ATOM 597 N LEU A 40 40.890 -7.002 5.366 1.00 0.00 N ATOM 598 CA LEU A 40 39.453 -7.383 5.478 1.00 0.00 C ATOM 599 C LEU A 40 39.188 -8.657 4.670 1.00 0.00 C ATOM 600 O LEU A 40 38.112 -8.852 4.142 1.00 0.00 O ATOM 601 CB LEU A 40 38.587 -6.246 4.930 1.00 0.00 C ATOM 602 CG LEU A 40 37.959 -5.469 6.088 1.00 0.00 C ATOM 603 CD1 LEU A 40 39.018 -4.579 6.741 1.00 0.00 C ATOM 604 CD2 LEU A 40 36.822 -4.597 5.552 1.00 0.00 C ATOM 0 H LEU A 40 41.163 -6.604 4.467 1.00 0.00 H new ATOM 0 HA LEU A 40 39.208 -7.564 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 40 39.193 -5.578 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.806 -6.649 4.285 1.00 0.00 H new ATOM 0 HG LEU A 40 37.568 -6.168 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.570 -4.026 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.831 -5.199 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 40 39.409 -3.878 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.371 -4.041 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.216 -3.898 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 40 36.067 -5.230 5.085 1.00 0.00 H new ATOM 616 N GLY A 41 40.158 -9.523 4.561 1.00 0.00 N ATOM 617 CA GLY A 41 39.949 -10.774 3.778 1.00 0.00 C ATOM 618 C GLY A 41 39.543 -11.910 4.717 1.00 0.00 C ATOM 619 O GLY A 41 38.377 -12.125 4.984 1.00 0.00 O ATOM 0 H GLY A 41 41.083 -9.419 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 41 39.176 -10.618 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 41 40.863 -11.038 3.246 1.00 0.00 H new ATOM 623 N GLU A 42 40.501 -12.642 5.216 1.00 0.00 N ATOM 624 CA GLU A 42 40.182 -13.771 6.135 1.00 0.00 C ATOM 625 C GLU A 42 39.399 -13.250 7.340 1.00 0.00 C ATOM 626 O GLU A 42 38.340 -13.748 7.666 1.00 0.00 O ATOM 627 CB GLU A 42 41.482 -14.415 6.615 1.00 0.00 C ATOM 628 CG GLU A 42 41.406 -15.929 6.415 1.00 0.00 C ATOM 629 CD GLU A 42 42.814 -16.524 6.477 1.00 0.00 C ATOM 630 OE1 GLU A 42 43.519 -16.227 7.428 1.00 0.00 O ATOM 631 OE2 GLU A 42 43.163 -17.268 5.576 1.00 0.00 O ATOM 0 H GLU A 42 41.494 -12.506 5.026 1.00 0.00 H new ATOM 0 HA GLU A 42 39.580 -14.509 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 42 42.328 -14.007 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 42 41.647 -14.184 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 42 40.776 -16.377 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 42 40.946 -16.157 5.454 1.00 0.00 H new ATOM 638 N LYS A 43 39.912 -12.256 8.009 1.00 0.00 N ATOM 639 CA LYS A 43 39.194 -11.713 9.195 1.00 0.00 C ATOM 640 C LYS A 43 39.892 -10.441 9.681 1.00 0.00 C ATOM 641 O LYS A 43 40.353 -9.684 8.843 1.00 0.00 O ATOM 642 CB LYS A 43 39.201 -12.758 10.311 1.00 0.00 C ATOM 643 CG LYS A 43 37.978 -12.556 11.206 1.00 0.00 C ATOM 644 CD LYS A 43 37.217 -13.876 11.339 1.00 0.00 C ATOM 645 CE LYS A 43 36.771 -14.055 12.790 1.00 0.00 C ATOM 646 NZ LYS A 43 37.805 -14.829 13.532 1.00 0.00 N ATOM 647 OXT LYS A 43 39.954 -10.247 10.884 1.00 0.00 O ATOM 0 H LYS A 43 40.795 -11.797 7.787 1.00 0.00 H new ATOM 0 HA LYS A 43 38.166 -11.476 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 43 39.191 -13.761 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 43 40.114 -12.671 10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.289 -12.203 12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.328 -11.790 10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.351 -13.879 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.853 -14.708 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.622 -13.082 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.814 -14.576 12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.504 -14.952 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.926 -15.762 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.708 -14.314 13.507 1.00 0.00 H new TER 661 LYS A 43