USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 409 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 NoAdj-H: A 1 ILE H2 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -145:sc= -0.0702 (180deg=-0.48) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 7 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.6) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.324 F(o=-1.3,f=-0.32) USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.125 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0153) USER MOD Single : A 26 SER OG : rot -35:sc= 1.27 USER MOD Single : A 29 SER OG : rot -53:sc= 1.02 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -51:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 2.123 0.210 -0.921 1.00 71.45 N ATOM 2 CA ILE A 1 2.590 0.235 -2.302 1.00 73.41 C ATOM 3 C ILE A 1 2.041 -0.950 -3.090 1.00 33.24 C ATOM 4 O ILE A 1 1.860 -0.871 -4.305 1.00 12.01 O ATOM 5 CB ILE A 1 4.128 0.218 -2.377 1.00 31.34 C ATOM 6 CG1 ILE A 1 4.709 1.424 -1.636 1.00 65.31 C ATOM 7 CG2 ILE A 1 4.588 0.207 -3.827 1.00 12.52 C ATOM 8 CD1 ILE A 1 4.276 2.753 -2.212 1.00 54.34 C ATOM 0 H1 ILE A 1 1.972 1.184 -0.588 1.00 71.45 H new ATOM 0 HA ILE A 1 2.223 1.162 -2.742 1.00 73.41 H new ATOM 0 HB ILE A 1 4.491 -0.690 -1.895 1.00 31.34 H new ATOM 0 HG12 ILE A 1 4.409 1.376 -0.589 1.00 65.31 H new ATOM 0 HG13 ILE A 1 5.797 1.365 -1.659 1.00 65.31 H new ATOM 0 HG21 ILE A 1 5.677 0.195 -3.863 1.00 12.52 H new ATOM 0 HG22 ILE A 1 4.199 -0.681 -4.326 1.00 12.52 H new ATOM 0 HG23 ILE A 1 4.218 1.099 -4.333 1.00 12.52 H new ATOM 0 HD11 ILE A 1 4.726 3.563 -1.637 1.00 54.34 H new ATOM 0 HD12 ILE A 1 4.600 2.822 -3.251 1.00 54.34 H new ATOM 0 HD13 ILE A 1 3.190 2.834 -2.164 1.00 54.34 H new ATOM 20 N TYR A 2 1.776 -2.047 -2.389 1.00 72.20 N ATOM 21 CA TYR A 2 1.248 -3.250 -3.022 1.00 55.44 C ATOM 22 C TYR A 2 -0.163 -3.011 -3.554 1.00 4.23 C ATOM 23 O TYR A 2 -0.685 -3.804 -4.337 1.00 51.41 O ATOM 24 CB TYR A 2 1.240 -4.413 -2.030 1.00 22.24 C ATOM 25 CG TYR A 2 2.607 -5.014 -1.791 1.00 1.35 C ATOM 26 CD1 TYR A 2 3.635 -4.255 -1.244 1.00 51.21 C ATOM 27 CD2 TYR A 2 2.871 -6.339 -2.112 1.00 22.33 C ATOM 28 CE1 TYR A 2 4.886 -4.799 -1.024 1.00 54.15 C ATOM 29 CE2 TYR A 2 4.118 -6.892 -1.894 1.00 63.22 C ATOM 30 CZ TYR A 2 5.122 -6.118 -1.351 1.00 2.04 C ATOM 31 OH TYR A 2 6.366 -6.665 -1.134 1.00 3.43 O ATOM 0 H TYR A 2 1.918 -2.128 -1.382 1.00 72.20 H new ATOM 0 HA TYR A 2 1.896 -3.502 -3.861 1.00 55.44 H new ATOM 0 HB2 TYR A 2 0.833 -4.066 -1.080 1.00 22.24 H new ATOM 0 HB3 TYR A 2 0.570 -5.190 -2.399 1.00 22.24 H new ATOM 0 HD1 TYR A 2 3.453 -3.222 -0.986 1.00 51.21 H new ATOM 0 HD2 TYR A 2 2.088 -6.948 -2.539 1.00 22.33 H new ATOM 0 HE1 TYR A 2 5.674 -4.195 -0.599 1.00 54.15 H new ATOM 0 HE2 TYR A 2 4.306 -7.925 -2.147 1.00 63.22 H new ATOM 0 HH TYR A 2 6.365 -7.603 -1.417 1.00 3.43 H new ATOM 41 N TRP A 3 -0.772 -1.913 -3.122 1.00 1.41 N ATOM 42 CA TRP A 3 -2.122 -1.568 -3.554 1.00 4.41 C ATOM 43 C TRP A 3 -2.101 -0.372 -4.500 1.00 35.10 C ATOM 44 O TRP A 3 -2.900 -0.295 -5.434 1.00 62.34 O ATOM 45 CB TRP A 3 -3.004 -1.261 -2.343 1.00 1.42 C ATOM 46 CG TRP A 3 -4.432 -0.982 -2.704 1.00 3.24 C ATOM 47 CD1 TRP A 3 -5.419 -1.902 -2.912 1.00 31.12 C ATOM 48 CD2 TRP A 3 -5.031 0.304 -2.900 1.00 64.42 C ATOM 49 NE1 TRP A 3 -6.596 -1.266 -3.226 1.00 62.01 N ATOM 50 CE2 TRP A 3 -6.384 0.087 -3.225 1.00 13.33 C ATOM 51 CE3 TRP A 3 -4.556 1.616 -2.832 1.00 11.22 C ATOM 52 CZ2 TRP A 3 -7.265 1.135 -3.481 1.00 3.14 C ATOM 53 CZ3 TRP A 3 -5.431 2.655 -3.086 1.00 70.04 C ATOM 54 CH2 TRP A 3 -6.773 2.410 -3.407 1.00 20.03 C ATOM 0 H TRP A 3 -0.353 -1.246 -2.473 1.00 1.41 H new ATOM 0 HA TRP A 3 -2.536 -2.423 -4.088 1.00 4.41 H new ATOM 0 HB2 TRP A 3 -2.969 -2.105 -1.654 1.00 1.42 H new ATOM 0 HB3 TRP A 3 -2.596 -0.400 -1.814 1.00 1.42 H new ATOM 0 HD1 TRP A 3 -5.293 -2.972 -2.840 1.00 31.12 H new ATOM 0 HE1 TRP A 3 -7.483 -1.727 -3.427 1.00 62.01 H new ATOM 0 HE3 TRP A 3 -3.523 1.815 -2.585 1.00 11.22 H new ATOM 0 HZ2 TRP A 3 -8.299 0.948 -3.729 1.00 3.14 H new ATOM 0 HZ3 TRP A 3 -5.075 3.673 -3.036 1.00 70.04 H new ATOM 0 HH2 TRP A 3 -7.432 3.244 -3.600 1.00 20.03 H new ATOM 65 N ILE A 4 -1.185 0.558 -4.252 1.00 72.31 N ATOM 66 CA ILE A 4 -1.062 1.748 -5.084 1.00 4.43 C ATOM 67 C ILE A 4 -0.433 1.414 -6.432 1.00 44.41 C ATOM 68 O ILE A 4 -0.766 2.019 -7.451 1.00 33.22 O ATOM 69 CB ILE A 4 -0.217 2.834 -4.391 1.00 21.24 C ATOM 70 CG1 ILE A 4 -0.928 3.340 -3.134 1.00 33.51 C ATOM 71 CG2 ILE A 4 0.058 3.983 -5.349 1.00 2.12 C ATOM 72 CD1 ILE A 4 -0.194 3.014 -1.852 1.00 12.41 C ATOM 0 H ILE A 4 -0.518 0.510 -3.482 1.00 72.31 H new ATOM 0 HA ILE A 4 -2.071 2.129 -5.241 1.00 4.43 H new ATOM 0 HB ILE A 4 0.737 2.397 -4.095 1.00 21.24 H new ATOM 0 HG12 ILE A 4 -1.053 4.420 -3.207 1.00 33.51 H new ATOM 0 HG13 ILE A 4 -1.927 2.906 -3.092 1.00 33.51 H new ATOM 0 HG21 ILE A 4 0.656 4.742 -4.845 1.00 2.12 H new ATOM 0 HG22 ILE A 4 0.602 3.611 -6.217 1.00 2.12 H new ATOM 0 HG23 ILE A 4 -0.886 4.421 -5.673 1.00 2.12 H new ATOM 0 HD11 ILE A 4 -0.755 3.403 -1.002 1.00 12.41 H new ATOM 0 HD12 ILE A 4 -0.092 1.933 -1.756 1.00 12.41 H new ATOM 0 HD13 ILE A 4 0.795 3.471 -1.873 1.00 12.41 H new ATOM 84 N ALA A 5 0.478 0.447 -6.430 1.00 63.35 N ATOM 85 CA ALA A 5 1.151 0.029 -7.654 1.00 43.11 C ATOM 86 C ALA A 5 0.175 -0.638 -8.617 1.00 63.40 C ATOM 87 O ALA A 5 0.445 -0.747 -9.813 1.00 50.54 O ATOM 88 CB ALA A 5 2.302 -0.912 -7.329 1.00 12.02 C ATOM 0 H ALA A 5 0.767 -0.062 -5.595 1.00 63.35 H new ATOM 0 HA ALA A 5 1.550 0.918 -8.141 1.00 43.11 H new ATOM 0 HB1 ALA A 5 2.795 -1.216 -8.252 1.00 12.02 H new ATOM 0 HB2 ALA A 5 3.019 -0.402 -6.686 1.00 12.02 H new ATOM 0 HB3 ALA A 5 1.918 -1.793 -6.816 1.00 12.02 H new ATOM 94 N ASP A 6 -0.958 -1.085 -8.088 1.00 33.02 N ATOM 95 CA ASP A 6 -1.975 -1.742 -8.901 1.00 20.11 C ATOM 96 C ASP A 6 -2.974 -0.727 -9.447 1.00 44.34 C ATOM 97 O ASP A 6 -3.046 -0.502 -10.655 1.00 60.22 O ATOM 98 CB ASP A 6 -2.707 -2.805 -8.080 1.00 1.22 C ATOM 99 CG ASP A 6 -2.028 -4.158 -8.148 1.00 24.43 C ATOM 100 OD1 ASP A 6 -0.946 -4.249 -8.765 1.00 63.52 O ATOM 101 OD2 ASP A 6 -2.577 -5.127 -7.583 1.00 13.34 O ATOM 0 H ASP A 6 -1.196 -1.005 -7.099 1.00 33.02 H new ATOM 0 HA ASP A 6 -1.476 -2.223 -9.742 1.00 20.11 H new ATOM 0 HB2 ASP A 6 -2.763 -2.482 -7.041 1.00 1.22 H new ATOM 0 HB3 ASP A 6 -3.731 -2.897 -8.441 1.00 1.22 H new ATOM 106 N GLN A 7 -3.742 -0.118 -8.550 1.00 4.52 N ATOM 107 CA GLN A 7 -4.737 0.872 -8.943 1.00 52.51 C ATOM 108 C GLN A 7 -4.092 2.013 -9.724 1.00 31.21 C ATOM 109 O GLN A 7 -4.407 2.234 -10.894 1.00 24.25 O ATOM 110 CB GLN A 7 -5.453 1.424 -7.709 1.00 54.53 C ATOM 111 CG GLN A 7 -6.077 0.348 -6.835 1.00 41.24 C ATOM 112 CD GLN A 7 -7.320 -0.259 -7.455 1.00 12.10 C ATOM 113 OE1 GLN A 7 -7.257 -0.889 -8.511 1.00 53.32 O ATOM 114 NE2 GLN A 7 -8.460 -0.073 -6.799 1.00 41.35 N ATOM 0 H GLN A 7 -3.694 -0.293 -7.546 1.00 4.52 H new ATOM 0 HA GLN A 7 -5.466 0.381 -9.588 1.00 52.51 H new ATOM 0 HB2 GLN A 7 -4.743 1.997 -7.113 1.00 54.53 H new ATOM 0 HB3 GLN A 7 -6.231 2.116 -8.030 1.00 54.53 H new ATOM 0 HG2 GLN A 7 -5.344 -0.439 -6.655 1.00 41.24 H new ATOM 0 HG3 GLN A 7 -6.331 0.775 -5.865 1.00 41.24 H new ATOM 0 HE21 GLN A 7 -8.466 0.456 -5.927 1.00 41.35 H new ATOM 0 HE22 GLN A 7 -9.329 -0.459 -7.167 1.00 41.35 H new ATOM 123 N PHE A 8 -3.189 2.735 -9.069 1.00 64.42 N ATOM 124 CA PHE A 8 -2.500 3.854 -9.702 1.00 21.43 C ATOM 125 C PHE A 8 -1.396 3.358 -10.631 1.00 61.41 C ATOM 126 O PHE A 8 -1.504 3.462 -11.852 1.00 45.41 O ATOM 127 CB PHE A 8 -1.909 4.782 -8.639 1.00 44.43 C ATOM 128 CG PHE A 8 -2.924 5.292 -7.656 1.00 63.33 C ATOM 129 CD1 PHE A 8 -3.331 4.506 -6.591 1.00 22.54 C ATOM 130 CD2 PHE A 8 -3.471 6.557 -7.799 1.00 33.44 C ATOM 131 CE1 PHE A 8 -4.265 4.971 -5.684 1.00 5.30 C ATOM 132 CE2 PHE A 8 -4.405 7.028 -6.895 1.00 61.20 C ATOM 133 CZ PHE A 8 -4.803 6.234 -5.837 1.00 60.22 C ATOM 0 H PHE A 8 -2.917 2.566 -8.101 1.00 64.42 H new ATOM 0 HA PHE A 8 -3.227 4.408 -10.295 1.00 21.43 H new ATOM 0 HB2 PHE A 8 -1.127 4.250 -8.098 1.00 44.43 H new ATOM 0 HB3 PHE A 8 -1.435 5.630 -9.132 1.00 44.43 H new ATOM 0 HD1 PHE A 8 -2.914 3.518 -6.467 1.00 22.54 H new ATOM 0 HD2 PHE A 8 -3.165 7.181 -8.625 1.00 33.44 H new ATOM 0 HE1 PHE A 8 -4.573 4.348 -4.857 1.00 5.30 H new ATOM 0 HE2 PHE A 8 -4.823 8.016 -7.016 1.00 61.20 H new ATOM 0 HZ PHE A 8 -5.533 6.600 -5.131 1.00 60.22 H new ATOM 143 N GLY A 9 -0.333 2.817 -10.042 1.00 52.04 N ATOM 144 CA GLY A 9 0.776 2.313 -10.831 1.00 51.53 C ATOM 145 C GLY A 9 1.541 3.421 -11.529 1.00 30.42 C ATOM 146 O GLY A 9 1.265 3.741 -12.685 1.00 51.52 O ATOM 0 H GLY A 9 -0.220 2.719 -9.033 1.00 52.04 H new ATOM 0 HA2 GLY A 9 1.456 1.758 -10.184 1.00 51.53 H new ATOM 0 HA3 GLY A 9 0.399 1.611 -11.575 1.00 51.53 H new ATOM 150 N ILE A 10 2.503 4.007 -10.825 1.00 24.20 N ATOM 151 CA ILE A 10 3.310 5.085 -11.384 1.00 73.31 C ATOM 152 C ILE A 10 4.766 4.658 -11.539 1.00 54.55 C ATOM 153 O ILE A 10 5.392 4.190 -10.588 1.00 53.20 O ATOM 154 CB ILE A 10 3.247 6.348 -10.506 1.00 5.23 C ATOM 155 CG1 ILE A 10 1.795 6.692 -10.171 1.00 54.11 C ATOM 156 CG2 ILE A 10 3.926 7.515 -11.208 1.00 14.23 C ATOM 157 CD1 ILE A 10 1.311 6.077 -8.877 1.00 13.14 C ATOM 0 H ILE A 10 2.743 3.754 -9.867 1.00 24.20 H new ATOM 0 HA ILE A 10 2.895 5.314 -12.366 1.00 73.31 H new ATOM 0 HB ILE A 10 3.777 6.151 -9.574 1.00 5.23 H new ATOM 0 HG12 ILE A 10 1.692 7.775 -10.110 1.00 54.11 H new ATOM 0 HG13 ILE A 10 1.153 6.356 -10.986 1.00 54.11 H new ATOM 0 HG21 ILE A 10 3.873 8.401 -10.575 1.00 14.23 H new ATOM 0 HG22 ILE A 10 4.970 7.267 -11.399 1.00 14.23 H new ATOM 0 HG23 ILE A 10 3.422 7.714 -12.153 1.00 14.23 H new ATOM 0 HD11 ILE A 10 0.274 6.363 -8.704 1.00 13.14 H new ATOM 0 HD12 ILE A 10 1.382 4.991 -8.941 1.00 13.14 H new ATOM 0 HD13 ILE A 10 1.928 6.432 -8.052 1.00 13.14 H new ATOM 169 N HIS A 11 5.300 4.825 -12.745 1.00 50.42 N ATOM 170 CA HIS A 11 6.684 4.460 -13.025 1.00 41.12 C ATOM 171 C HIS A 11 6.964 3.022 -12.598 1.00 13.53 C ATOM 172 O HIS A 11 8.044 2.712 -12.094 1.00 43.43 O ATOM 173 CB HIS A 11 7.640 5.413 -12.307 1.00 43.15 C ATOM 174 CG HIS A 11 7.624 6.806 -12.859 1.00 23.50 C ATOM 175 ND1 HIS A 11 6.601 7.566 -13.313 1.00 73.15 N flip ATOM 176 CD2 HIS A 11 8.761 7.575 -12.993 1.00 11.20 C flip ATOM 177 CE1 HIS A 11 7.132 8.769 -13.708 1.00 12.13 C flip ATOM 178 NE2 HIS A 11 8.437 8.749 -13.505 1.00 51.32 N flip ATOM 0 H HIS A 11 4.796 5.210 -13.543 1.00 50.42 H new ATOM 0 HA HIS A 11 6.844 4.539 -14.100 1.00 41.12 H new ATOM 0 HB2 HIS A 11 7.379 5.447 -11.249 1.00 43.15 H new ATOM 0 HB3 HIS A 11 8.653 5.016 -12.373 1.00 43.15 H new ATOM 0 HD2 HIS A 11 9.760 7.266 -12.722 1.00 11.20 H new ATOM 0 HE1 HIS A 11 6.573 9.597 -14.118 1.00 12.13 H new ATOM 0 HE2 HIS A 11 9.084 9.510 -13.709 1.00 51.32 H new ATOM 186 N LEU A 12 5.984 2.149 -12.800 1.00 74.04 N ATOM 187 CA LEU A 12 6.124 0.744 -12.435 1.00 73.53 C ATOM 188 C LEU A 12 7.379 0.141 -13.059 1.00 11.53 C ATOM 189 O LEU A 12 7.608 0.267 -14.261 1.00 43.42 O ATOM 190 CB LEU A 12 4.891 -0.045 -12.881 1.00 12.22 C ATOM 191 CG LEU A 12 5.038 -1.567 -12.900 1.00 42.31 C ATOM 192 CD1 LEU A 12 5.557 -2.070 -11.562 1.00 11.30 C ATOM 193 CD2 LEU A 12 3.710 -2.227 -13.242 1.00 2.33 C ATOM 0 H LEU A 12 5.084 2.389 -13.215 1.00 74.04 H new ATOM 0 HA LEU A 12 6.214 0.684 -11.350 1.00 73.53 H new ATOM 0 HB2 LEU A 12 4.062 0.212 -12.221 1.00 12.22 H new ATOM 0 HB3 LEU A 12 4.616 0.286 -13.882 1.00 12.22 H new ATOM 0 HG LEU A 12 5.762 -1.833 -13.670 1.00 42.31 H new ATOM 0 HD11 LEU A 12 5.655 -3.155 -11.594 1.00 11.30 H new ATOM 0 HD12 LEU A 12 6.530 -1.624 -11.358 1.00 11.30 H new ATOM 0 HD13 LEU A 12 4.858 -1.792 -10.773 1.00 11.30 H new ATOM 0 HD21 LEU A 12 3.834 -3.310 -13.251 1.00 2.33 H new ATOM 0 HD22 LEU A 12 2.965 -1.953 -12.495 1.00 2.33 H new ATOM 0 HD23 LEU A 12 3.379 -1.891 -14.225 1.00 2.33 H new ATOM 205 N ALA A 13 8.187 -0.515 -12.233 1.00 3.43 N ATOM 206 CA ALA A 13 9.417 -1.140 -12.704 1.00 32.04 C ATOM 207 C ALA A 13 9.240 -2.646 -12.863 1.00 64.31 C ATOM 208 O ALA A 13 9.660 -3.426 -12.007 1.00 14.33 O ATOM 209 CB ALA A 13 10.562 -0.839 -11.748 1.00 33.13 C ATOM 0 H ALA A 13 8.012 -0.628 -11.234 1.00 3.43 H new ATOM 0 HA ALA A 13 9.656 -0.723 -13.682 1.00 32.04 H new ATOM 0 HB1 ALA A 13 11.474 -1.312 -12.112 1.00 33.13 H new ATOM 0 HB2 ALA A 13 10.712 0.239 -11.687 1.00 33.13 H new ATOM 0 HB3 ALA A 13 10.322 -1.228 -10.759 1.00 33.13 H new ATOM 215 N THR A 14 8.616 -3.051 -13.965 1.00 63.11 N ATOM 216 CA THR A 14 8.383 -4.464 -14.236 1.00 13.12 C ATOM 217 C THR A 14 9.697 -5.212 -14.428 1.00 41.41 C ATOM 218 O THR A 14 9.735 -6.441 -14.386 1.00 43.43 O ATOM 219 CB THR A 14 7.507 -4.659 -15.488 1.00 14.42 C ATOM 220 OG1 THR A 14 7.181 -6.044 -15.648 1.00 4.15 O ATOM 221 CG2 THR A 14 8.221 -4.153 -16.732 1.00 61.51 C ATOM 0 H THR A 14 8.263 -2.420 -14.684 1.00 63.11 H new ATOM 0 HA THR A 14 7.861 -4.869 -13.369 1.00 13.12 H new ATOM 0 HB THR A 14 6.590 -4.084 -15.356 1.00 14.42 H new ATOM 0 HG1 THR A 14 7.853 -6.593 -15.192 1.00 4.15 H new ATOM 0 HG21 THR A 14 7.583 -4.301 -17.603 1.00 61.51 H new ATOM 0 HG22 THR A 14 8.440 -3.091 -16.619 1.00 61.51 H new ATOM 0 HG23 THR A 14 9.152 -4.703 -16.866 1.00 61.51 H new ATOM 229 N GLY A 15 10.774 -4.461 -14.638 1.00 65.24 N ATOM 230 CA GLY A 15 12.077 -5.071 -14.833 1.00 72.23 C ATOM 231 C GLY A 15 12.934 -5.019 -13.584 1.00 61.14 C ATOM 232 O GLY A 15 13.956 -5.701 -13.494 1.00 35.24 O ATOM 0 H GLY A 15 10.768 -3.442 -14.677 1.00 65.24 H new ATOM 0 HA2 GLY A 15 11.947 -6.109 -15.138 1.00 72.23 H new ATOM 0 HA3 GLY A 15 12.595 -4.563 -15.647 1.00 72.23 H new ATOM 236 N THR A 16 12.520 -4.206 -12.618 1.00 1.25 N ATOM 237 CA THR A 16 13.259 -4.065 -11.369 1.00 54.30 C ATOM 238 C THR A 16 12.411 -4.496 -10.177 1.00 64.14 C ATOM 239 O THR A 16 12.692 -5.510 -9.539 1.00 73.43 O ATOM 240 CB THR A 16 13.726 -2.613 -11.154 1.00 14.24 C ATOM 241 OG1 THR A 16 14.242 -2.078 -12.377 1.00 42.32 O ATOM 242 CG2 THR A 16 14.794 -2.543 -10.073 1.00 13.34 C ATOM 0 H THR A 16 11.677 -3.635 -12.676 1.00 1.25 H new ATOM 0 HA THR A 16 14.133 -4.713 -11.443 1.00 54.30 H new ATOM 0 HB THR A 16 12.868 -2.022 -10.834 1.00 14.24 H new ATOM 0 HG1 THR A 16 14.535 -1.154 -12.232 1.00 42.32 H new ATOM 0 HG21 THR A 16 15.108 -1.508 -9.939 1.00 13.34 H new ATOM 0 HG22 THR A 16 14.388 -2.924 -9.136 1.00 13.34 H new ATOM 0 HG23 THR A 16 15.652 -3.147 -10.369 1.00 13.34 H new ATOM 250 N ALA A 17 11.374 -3.720 -9.883 1.00 53.20 N ATOM 251 CA ALA A 17 10.484 -4.024 -8.769 1.00 51.23 C ATOM 252 C ALA A 17 9.987 -5.464 -8.841 1.00 12.41 C ATOM 253 O ALA A 17 10.043 -6.199 -7.855 1.00 71.34 O ATOM 254 CB ALA A 17 9.308 -3.058 -8.754 1.00 5.30 C ATOM 0 H ALA A 17 11.129 -2.876 -10.401 1.00 53.20 H new ATOM 0 HA ALA A 17 11.048 -3.907 -7.843 1.00 51.23 H new ATOM 0 HB1 ALA A 17 8.652 -3.297 -7.917 1.00 5.30 H new ATOM 0 HB2 ALA A 17 9.677 -2.038 -8.647 1.00 5.30 H new ATOM 0 HB3 ALA A 17 8.752 -3.147 -9.688 1.00 5.30 H new ATOM 260 N ARG A 18 9.500 -5.859 -10.013 1.00 30.04 N ATOM 261 CA ARG A 18 8.991 -7.211 -10.212 1.00 1.34 C ATOM 262 C ARG A 18 10.027 -8.249 -9.791 1.00 62.12 C ATOM 263 O ARG A 18 9.718 -9.190 -9.059 1.00 42.51 O ATOM 264 CB ARG A 18 8.606 -7.423 -11.677 1.00 21.01 C ATOM 265 CG ARG A 18 7.399 -8.328 -11.865 1.00 1.45 C ATOM 266 CD ARG A 18 6.134 -7.691 -11.311 1.00 2.35 C ATOM 267 NE ARG A 18 5.880 -6.378 -11.897 1.00 42.34 N ATOM 268 CZ ARG A 18 5.308 -6.201 -13.083 1.00 62.02 C ATOM 269 NH1 ARG A 18 4.932 -7.248 -13.804 1.00 64.24 N ATOM 270 NH2 ARG A 18 5.111 -4.975 -13.550 1.00 14.43 N ATOM 0 H ARG A 18 9.447 -5.262 -10.839 1.00 30.04 H new ATOM 0 HA ARG A 18 8.105 -7.335 -9.589 1.00 1.34 H new ATOM 0 HB2 ARG A 18 8.398 -6.455 -12.133 1.00 21.01 H new ATOM 0 HB3 ARG A 18 9.456 -7.850 -12.209 1.00 21.01 H new ATOM 0 HG2 ARG A 18 7.265 -8.543 -12.925 1.00 1.45 H new ATOM 0 HG3 ARG A 18 7.576 -9.281 -11.367 1.00 1.45 H new ATOM 0 HD2 ARG A 18 5.284 -8.345 -11.505 1.00 2.35 H new ATOM 0 HD3 ARG A 18 6.221 -7.594 -10.229 1.00 2.35 H new ATOM 0 HE ARG A 18 6.157 -5.552 -11.367 1.00 42.34 H new ATOM 0 HH11 ARG A 18 5.082 -8.192 -13.449 1.00 64.24 H new ATOM 0 HH12 ARG A 18 4.493 -7.109 -14.714 1.00 64.24 H new ATOM 0 HH21 ARG A 18 5.399 -4.167 -12.998 1.00 14.43 H new ATOM 0 HH22 ARG A 18 4.672 -4.841 -14.461 1.00 14.43 H new ATOM 284 N LYS A 19 11.258 -8.072 -10.260 1.00 31.54 N ATOM 285 CA LYS A 19 12.341 -8.992 -9.933 1.00 31.53 C ATOM 286 C LYS A 19 12.745 -8.859 -8.468 1.00 10.30 C ATOM 287 O LYS A 19 13.292 -9.790 -7.877 1.00 24.42 O ATOM 288 CB LYS A 19 13.550 -8.729 -10.833 1.00 24.24 C ATOM 289 CG LYS A 19 13.426 -9.346 -12.215 1.00 53.10 C ATOM 290 CD LYS A 19 12.512 -8.526 -13.111 1.00 22.21 C ATOM 291 CE LYS A 19 12.846 -8.728 -14.581 1.00 41.31 C ATOM 292 NZ LYS A 19 12.641 -10.140 -15.008 1.00 52.50 N ATOM 0 H LYS A 19 11.530 -7.300 -10.868 1.00 31.54 H new ATOM 0 HA LYS A 19 11.984 -10.008 -10.102 1.00 31.53 H new ATOM 0 HB2 LYS A 19 13.688 -7.653 -10.936 1.00 24.24 H new ATOM 0 HB3 LYS A 19 14.445 -9.120 -10.349 1.00 24.24 H new ATOM 0 HG2 LYS A 19 14.413 -9.421 -12.671 1.00 53.10 H new ATOM 0 HG3 LYS A 19 13.037 -10.361 -12.128 1.00 53.10 H new ATOM 0 HD2 LYS A 19 11.475 -8.808 -12.930 1.00 22.21 H new ATOM 0 HD3 LYS A 19 12.604 -7.470 -12.858 1.00 22.21 H new ATOM 0 HE2 LYS A 19 12.223 -8.071 -15.188 1.00 41.31 H new ATOM 0 HE3 LYS A 19 13.882 -8.441 -14.761 1.00 41.31 H new ATOM 0 HZ1 LYS A 19 12.797 -10.219 -16.033 1.00 52.50 H new ATOM 0 HZ2 LYS A 19 13.313 -10.755 -14.507 1.00 52.50 H new ATOM 0 HZ3 LYS A 19 11.669 -10.433 -14.783 1.00 52.50 H new ATOM 306 N LEU A 20 12.471 -7.696 -7.887 1.00 52.24 N ATOM 307 CA LEU A 20 12.804 -7.441 -6.490 1.00 45.43 C ATOM 308 C LEU A 20 11.821 -8.142 -5.559 1.00 24.32 C ATOM 309 O LEU A 20 12.219 -8.753 -4.566 1.00 35.43 O ATOM 310 CB LEU A 20 12.804 -5.937 -6.212 1.00 12.52 C ATOM 311 CG LEU A 20 14.040 -5.167 -6.678 1.00 61.02 C ATOM 312 CD1 LEU A 20 13.895 -3.685 -6.368 1.00 71.23 C ATOM 313 CD2 LEU A 20 15.295 -5.729 -6.027 1.00 64.43 C ATOM 0 H LEU A 20 12.019 -6.915 -8.362 1.00 52.24 H new ATOM 0 HA LEU A 20 13.801 -7.839 -6.301 1.00 45.43 H new ATOM 0 HB2 LEU A 20 11.927 -5.500 -6.690 1.00 12.52 H new ATOM 0 HB3 LEU A 20 12.691 -5.787 -5.138 1.00 12.52 H new ATOM 0 HG LEU A 20 14.131 -5.284 -7.758 1.00 61.02 H new ATOM 0 HD11 LEU A 20 14.784 -3.154 -6.707 1.00 71.23 H new ATOM 0 HD12 LEU A 20 13.018 -3.290 -6.882 1.00 71.23 H new ATOM 0 HD13 LEU A 20 13.778 -3.548 -5.293 1.00 71.23 H new ATOM 0 HD21 LEU A 20 16.165 -5.169 -6.370 1.00 64.43 H new ATOM 0 HD22 LEU A 20 15.212 -5.643 -4.944 1.00 64.43 H new ATOM 0 HD23 LEU A 20 15.408 -6.778 -6.300 1.00 64.43 H new ATOM 325 N LEU A 21 10.537 -8.052 -5.886 1.00 61.44 N ATOM 326 CA LEU A 21 9.496 -8.681 -5.080 1.00 41.23 C ATOM 327 C LEU A 21 9.708 -10.189 -4.996 1.00 45.11 C ATOM 328 O LEU A 21 9.175 -10.852 -4.107 1.00 33.21 O ATOM 329 CB LEU A 21 8.117 -8.381 -5.669 1.00 53.44 C ATOM 330 CG LEU A 21 7.559 -6.983 -5.395 1.00 62.41 C ATOM 331 CD1 LEU A 21 6.497 -6.621 -6.422 1.00 21.45 C ATOM 332 CD2 LEU A 21 6.991 -6.903 -3.986 1.00 31.23 C ATOM 0 H LEU A 21 10.191 -7.550 -6.704 1.00 61.44 H new ATOM 0 HA LEU A 21 9.552 -8.268 -4.073 1.00 41.23 H new ATOM 0 HB2 LEU A 21 8.166 -8.526 -6.748 1.00 53.44 H new ATOM 0 HB3 LEU A 21 7.411 -9.115 -5.281 1.00 53.44 H new ATOM 0 HG LEU A 21 8.374 -6.264 -5.478 1.00 62.41 H new ATOM 0 HD11 LEU A 21 6.112 -5.623 -6.211 1.00 21.45 H new ATOM 0 HD12 LEU A 21 6.935 -6.637 -7.420 1.00 21.45 H new ATOM 0 HD13 LEU A 21 5.682 -7.343 -6.372 1.00 21.45 H new ATOM 0 HD21 LEU A 21 6.599 -5.902 -3.808 1.00 31.23 H new ATOM 0 HD22 LEU A 21 6.189 -7.632 -3.875 1.00 31.23 H new ATOM 0 HD23 LEU A 21 7.778 -7.118 -3.264 1.00 31.23 H new ATOM 344 N ASP A 22 10.493 -10.723 -5.926 1.00 35.43 N ATOM 345 CA ASP A 22 10.779 -12.153 -5.955 1.00 33.10 C ATOM 346 C ASP A 22 11.968 -12.488 -5.060 1.00 14.34 C ATOM 347 O ASP A 22 12.434 -13.626 -5.030 1.00 62.05 O ATOM 348 CB ASP A 22 11.059 -12.610 -7.388 1.00 12.44 C ATOM 349 CG ASP A 22 10.823 -14.095 -7.578 1.00 40.04 C ATOM 350 OD1 ASP A 22 9.870 -14.627 -6.972 1.00 1.33 O ATOM 351 OD2 ASP A 22 11.592 -14.726 -8.334 1.00 0.02 O ATOM 0 H ASP A 22 10.942 -10.188 -6.669 1.00 35.43 H new ATOM 0 HA ASP A 22 9.903 -12.681 -5.578 1.00 33.10 H new ATOM 0 HB2 ASP A 22 10.422 -12.053 -8.075 1.00 12.44 H new ATOM 0 HB3 ASP A 22 12.091 -12.373 -7.647 1.00 12.44 H new ATOM 356 N ALA A 23 12.453 -11.488 -4.331 1.00 43.34 N ATOM 357 CA ALA A 23 13.587 -11.676 -3.435 1.00 30.13 C ATOM 358 C ALA A 23 13.333 -11.018 -2.083 1.00 31.13 C ATOM 359 O ALA A 23 13.532 -11.633 -1.035 1.00 13.43 O ATOM 360 CB ALA A 23 14.856 -11.120 -4.064 1.00 72.42 C ATOM 0 H ALA A 23 12.078 -10.539 -4.344 1.00 43.34 H new ATOM 0 HA ALA A 23 13.715 -12.746 -3.271 1.00 30.13 H new ATOM 0 HB1 ALA A 23 15.694 -11.268 -3.383 1.00 72.42 H new ATOM 0 HB2 ALA A 23 15.055 -11.639 -5.002 1.00 72.42 H new ATOM 0 HB3 ALA A 23 14.729 -10.055 -4.258 1.00 72.42 H new ATOM 366 N VAL A 24 12.893 -9.764 -2.113 1.00 73.14 N ATOM 367 CA VAL A 24 12.611 -9.023 -0.890 1.00 41.41 C ATOM 368 C VAL A 24 11.552 -9.729 -0.051 1.00 51.31 C ATOM 369 O VAL A 24 11.567 -9.654 1.177 1.00 10.22 O ATOM 370 CB VAL A 24 12.135 -7.591 -1.199 1.00 2.43 C ATOM 371 CG1 VAL A 24 13.171 -6.852 -2.032 1.00 51.43 C ATOM 372 CG2 VAL A 24 10.789 -7.618 -1.907 1.00 43.03 C ATOM 0 H VAL A 24 12.724 -9.240 -2.972 1.00 73.14 H new ATOM 0 HA VAL A 24 13.543 -8.975 -0.327 1.00 41.41 H new ATOM 0 HB VAL A 24 12.013 -7.056 -0.257 1.00 2.43 H new ATOM 0 HG11 VAL A 24 12.817 -5.842 -2.240 1.00 51.43 H new ATOM 0 HG12 VAL A 24 14.111 -6.801 -1.482 1.00 51.43 H new ATOM 0 HG13 VAL A 24 13.328 -7.382 -2.971 1.00 51.43 H new ATOM 0 HG21 VAL A 24 10.468 -6.598 -2.118 1.00 43.03 H new ATOM 0 HG22 VAL A 24 10.881 -8.170 -2.842 1.00 43.03 H new ATOM 0 HG23 VAL A 24 10.052 -8.106 -1.269 1.00 43.03 H new ATOM 382 N ALA A 25 10.633 -10.415 -0.723 1.00 2.20 N ATOM 383 CA ALA A 25 9.567 -11.137 -0.039 1.00 45.13 C ATOM 384 C ALA A 25 10.135 -12.226 0.864 1.00 34.44 C ATOM 385 O ALA A 25 9.449 -12.725 1.757 1.00 70.11 O ATOM 386 CB ALA A 25 8.603 -11.737 -1.052 1.00 20.15 C ATOM 0 H ALA A 25 10.605 -10.486 -1.740 1.00 2.20 H new ATOM 0 HA ALA A 25 9.024 -10.429 0.587 1.00 45.13 H new ATOM 0 HB1 ALA A 25 7.812 -12.273 -0.528 1.00 20.15 H new ATOM 0 HB2 ALA A 25 8.165 -10.940 -1.653 1.00 20.15 H new ATOM 0 HB3 ALA A 25 9.141 -12.428 -1.701 1.00 20.15 H new ATOM 392 N SER A 26 11.390 -12.592 0.627 1.00 42.14 N ATOM 393 CA SER A 26 12.048 -13.626 1.417 1.00 71.24 C ATOM 394 C SER A 26 12.911 -13.007 2.512 1.00 40.23 C ATOM 395 O SER A 26 13.238 -13.658 3.503 1.00 15.22 O ATOM 396 CB SER A 26 12.907 -14.516 0.516 1.00 22.15 C ATOM 397 OG SER A 26 14.122 -13.872 0.173 1.00 21.41 O ATOM 0 H SER A 26 11.972 -12.188 -0.106 1.00 42.14 H new ATOM 0 HA SER A 26 11.276 -14.235 1.888 1.00 71.24 H new ATOM 0 HB2 SER A 26 13.121 -15.456 1.025 1.00 22.15 H new ATOM 0 HB3 SER A 26 12.354 -14.763 -0.390 1.00 22.15 H new ATOM 0 HG SER A 26 13.967 -12.909 0.079 1.00 21.41 H new ATOM 403 N GLY A 27 13.277 -11.742 2.324 1.00 65.52 N ATOM 404 CA GLY A 27 14.099 -11.055 3.302 1.00 24.05 C ATOM 405 C GLY A 27 14.917 -9.936 2.689 1.00 0.43 C ATOM 406 O GLY A 27 16.102 -10.108 2.404 1.00 12.44 O ATOM 0 H GLY A 27 13.019 -11.182 1.512 1.00 65.52 H new ATOM 0 HA2 GLY A 27 13.461 -10.647 4.086 1.00 24.05 H new ATOM 0 HA3 GLY A 27 14.769 -11.772 3.777 1.00 24.05 H new ATOM 410 N ALA A 28 14.283 -8.786 2.484 1.00 10.21 N ATOM 411 CA ALA A 28 14.960 -7.634 1.901 1.00 55.11 C ATOM 412 C ALA A 28 16.025 -7.087 2.845 1.00 71.01 C ATOM 413 O ALA A 28 17.215 -7.348 2.670 1.00 3.45 O ATOM 414 CB ALA A 28 13.951 -6.549 1.555 1.00 13.41 C ATOM 0 H ALA A 28 13.302 -8.627 2.713 1.00 10.21 H new ATOM 0 HA ALA A 28 15.456 -7.959 0.986 1.00 55.11 H new ATOM 0 HB1 ALA A 28 14.470 -5.695 1.121 1.00 13.41 H new ATOM 0 HB2 ALA A 28 13.229 -6.939 0.837 1.00 13.41 H new ATOM 0 HB3 ALA A 28 13.430 -6.235 2.459 1.00 13.41 H new ATOM 420 N SER A 29 15.589 -6.327 3.845 1.00 64.12 N ATOM 421 CA SER A 29 16.507 -5.740 4.814 1.00 11.41 C ATOM 422 C SER A 29 17.547 -4.867 4.118 1.00 52.10 C ATOM 423 O SER A 29 18.614 -4.594 4.668 1.00 24.05 O ATOM 424 CB SER A 29 17.203 -6.838 5.620 1.00 61.02 C ATOM 425 OG SER A 29 18.456 -7.173 5.049 1.00 71.34 O ATOM 0 H SER A 29 14.607 -6.104 4.005 1.00 64.12 H new ATOM 0 HA SER A 29 15.928 -5.114 5.492 1.00 11.41 H new ATOM 0 HB2 SER A 29 17.346 -6.504 6.648 1.00 61.02 H new ATOM 0 HB3 SER A 29 16.569 -7.724 5.658 1.00 61.02 H new ATOM 0 HG SER A 29 18.337 -7.382 4.099 1.00 71.34 H new ATOM 431 N LEU A 30 17.228 -4.432 2.904 1.00 13.11 N ATOM 432 CA LEU A 30 18.133 -3.590 2.131 1.00 44.54 C ATOM 433 C LEU A 30 18.077 -2.143 2.612 1.00 20.45 C ATOM 434 O LEU A 30 17.025 -1.657 3.025 1.00 4.55 O ATOM 435 CB LEU A 30 17.780 -3.658 0.644 1.00 42.32 C ATOM 436 CG LEU A 30 18.745 -4.449 -0.240 1.00 22.13 C ATOM 437 CD1 LEU A 30 20.172 -3.964 -0.039 1.00 44.24 C ATOM 438 CD2 LEU A 30 18.640 -5.938 0.056 1.00 72.11 C ATOM 0 H LEU A 30 16.349 -4.649 2.434 1.00 13.11 H new ATOM 0 HA LEU A 30 19.147 -3.963 2.276 1.00 44.54 H new ATOM 0 HB2 LEU A 30 16.787 -4.097 0.547 1.00 42.32 H new ATOM 0 HB3 LEU A 30 17.718 -2.640 0.259 1.00 42.32 H new ATOM 0 HG LEU A 30 18.470 -4.285 -1.282 1.00 22.13 H new ATOM 0 HD11 LEU A 30 20.845 -4.538 -0.676 1.00 44.24 H new ATOM 0 HD12 LEU A 30 20.238 -2.908 -0.301 1.00 44.24 H new ATOM 0 HD13 LEU A 30 20.458 -4.098 1.004 1.00 44.24 H new ATOM 0 HD21 LEU A 30 19.334 -6.486 -0.582 1.00 72.11 H new ATOM 0 HD22 LEU A 30 18.888 -6.119 1.102 1.00 72.11 H new ATOM 0 HD23 LEU A 30 17.623 -6.277 -0.139 1.00 72.11 H new ATOM 450 N GLY A 31 19.217 -1.461 2.555 1.00 54.34 N ATOM 451 CA GLY A 31 19.275 -0.076 2.986 1.00 33.32 C ATOM 452 C GLY A 31 19.742 0.855 1.885 1.00 3.05 C ATOM 453 O GLY A 31 19.530 2.066 1.954 1.00 42.21 O ATOM 0 H GLY A 31 20.101 -1.843 2.218 1.00 54.34 H new ATOM 0 HA2 GLY A 31 18.288 0.237 3.328 1.00 33.32 H new ATOM 0 HA3 GLY A 31 19.949 0.008 3.839 1.00 33.32 H new ATOM 457 N THR A 32 20.383 0.290 0.867 1.00 52.14 N ATOM 458 CA THR A 32 20.885 1.078 -0.252 1.00 74.01 C ATOM 459 C THR A 32 20.128 0.755 -1.535 1.00 70.24 C ATOM 460 O THR A 32 19.797 1.649 -2.314 1.00 33.44 O ATOM 461 CB THR A 32 22.388 0.835 -0.481 1.00 63.40 C ATOM 462 OG1 THR A 32 23.127 1.192 0.693 1.00 74.52 O ATOM 463 CG2 THR A 32 22.892 1.641 -1.668 1.00 45.12 C ATOM 0 H THR A 32 20.567 -0.711 0.794 1.00 52.14 H new ATOM 0 HA THR A 32 20.729 2.126 0.005 1.00 74.01 H new ATOM 0 HB THR A 32 22.534 -0.224 -0.693 1.00 63.40 H new ATOM 0 HG1 THR A 32 24.082 1.033 0.540 1.00 74.52 H new ATOM 0 HG21 THR A 32 23.956 1.453 -1.810 1.00 45.12 H new ATOM 0 HG22 THR A 32 22.348 1.346 -2.565 1.00 45.12 H new ATOM 0 HG23 THR A 32 22.733 2.703 -1.481 1.00 45.12 H new ATOM 471 N ALA A 33 19.857 -0.529 -1.750 1.00 11.52 N ATOM 472 CA ALA A 33 19.137 -0.969 -2.938 1.00 15.01 C ATOM 473 C ALA A 33 17.643 -0.691 -2.809 1.00 12.22 C ATOM 474 O ALA A 33 16.937 -0.561 -3.809 1.00 14.40 O ATOM 475 CB ALA A 33 19.380 -2.451 -3.184 1.00 1.42 C ATOM 0 H ALA A 33 20.126 -1.282 -1.117 1.00 11.52 H new ATOM 0 HA ALA A 33 19.513 -0.404 -3.791 1.00 15.01 H new ATOM 0 HB1 ALA A 33 18.836 -2.766 -4.075 1.00 1.42 H new ATOM 0 HB2 ALA A 33 20.446 -2.626 -3.329 1.00 1.42 H new ATOM 0 HB3 ALA A 33 19.032 -3.024 -2.325 1.00 1.42 H new ATOM 481 N PHE A 34 17.167 -0.601 -1.571 1.00 60.42 N ATOM 482 CA PHE A 34 15.756 -0.340 -1.312 1.00 20.35 C ATOM 483 C PHE A 34 15.443 1.146 -1.455 1.00 54.11 C ATOM 484 O PHE A 34 14.338 1.524 -1.844 1.00 71.43 O ATOM 485 CB PHE A 34 15.376 -0.820 0.091 1.00 45.10 C ATOM 486 CG PHE A 34 13.946 -1.263 0.206 1.00 21.42 C ATOM 487 CD1 PHE A 34 13.433 -2.221 -0.653 1.00 73.42 C ATOM 488 CD2 PHE A 34 13.115 -0.723 1.174 1.00 1.21 C ATOM 489 CE1 PHE A 34 12.117 -2.631 -0.550 1.00 14.42 C ATOM 490 CE2 PHE A 34 11.798 -1.128 1.283 1.00 61.44 C ATOM 491 CZ PHE A 34 11.299 -2.084 0.420 1.00 33.40 C ATOM 0 H PHE A 34 17.738 -0.705 -0.732 1.00 60.42 H new ATOM 0 HA PHE A 34 15.169 -0.890 -2.048 1.00 20.35 H new ATOM 0 HB2 PHE A 34 16.028 -1.647 0.372 1.00 45.10 H new ATOM 0 HB3 PHE A 34 15.557 -0.015 0.803 1.00 45.10 H new ATOM 0 HD1 PHE A 34 14.069 -2.653 -1.412 1.00 73.42 H new ATOM 0 HD2 PHE A 34 13.501 0.024 1.852 1.00 1.21 H new ATOM 0 HE1 PHE A 34 11.729 -3.378 -1.227 1.00 14.42 H new ATOM 0 HE2 PHE A 34 11.161 -0.698 2.041 1.00 61.44 H new ATOM 0 HZ PHE A 34 10.271 -2.404 0.503 1.00 33.40 H new ATOM 501 N ALA A 35 16.423 1.985 -1.137 1.00 62.12 N ATOM 502 CA ALA A 35 16.254 3.430 -1.232 1.00 35.52 C ATOM 503 C ALA A 35 16.356 3.901 -2.678 1.00 62.24 C ATOM 504 O ALA A 35 15.814 4.944 -3.041 1.00 40.31 O ATOM 505 CB ALA A 35 17.286 4.140 -0.369 1.00 31.22 C ATOM 0 H ALA A 35 17.343 1.689 -0.811 1.00 62.12 H new ATOM 0 HA ALA A 35 15.258 3.679 -0.866 1.00 35.52 H new ATOM 0 HB1 ALA A 35 17.148 5.218 -0.450 1.00 31.22 H new ATOM 0 HB2 ALA A 35 17.163 3.835 0.670 1.00 31.22 H new ATOM 0 HB3 ALA A 35 18.288 3.876 -0.708 1.00 31.22 H new ATOM 511 N ALA A 36 17.056 3.125 -3.500 1.00 53.23 N ATOM 512 CA ALA A 36 17.228 3.463 -4.908 1.00 0.13 C ATOM 513 C ALA A 36 15.983 3.110 -5.714 1.00 15.14 C ATOM 514 O ALA A 36 15.800 3.588 -6.834 1.00 5.34 O ATOM 515 CB ALA A 36 18.446 2.751 -5.476 1.00 64.31 C ATOM 0 H ALA A 36 17.513 2.259 -3.215 1.00 53.23 H new ATOM 0 HA ALA A 36 17.383 4.539 -4.981 1.00 0.13 H new ATOM 0 HB1 ALA A 36 18.563 3.012 -6.528 1.00 64.31 H new ATOM 0 HB2 ALA A 36 19.336 3.057 -4.925 1.00 64.31 H new ATOM 0 HB3 ALA A 36 18.314 1.673 -5.382 1.00 64.31 H new ATOM 521 N ILE A 37 15.129 2.271 -5.137 1.00 70.53 N ATOM 522 CA ILE A 37 13.901 1.854 -5.803 1.00 13.44 C ATOM 523 C ILE A 37 12.693 2.599 -5.244 1.00 2.32 C ATOM 524 O ILE A 37 11.683 2.769 -5.928 1.00 43.33 O ATOM 525 CB ILE A 37 13.667 0.339 -5.657 1.00 43.02 C ATOM 526 CG1 ILE A 37 13.667 -0.060 -4.180 1.00 4.40 C ATOM 527 CG2 ILE A 37 14.731 -0.436 -6.421 1.00 35.33 C ATOM 528 CD1 ILE A 37 13.132 -1.452 -3.930 1.00 22.21 C ATOM 0 H ILE A 37 15.265 1.867 -4.210 1.00 70.53 H new ATOM 0 HA ILE A 37 14.018 2.095 -6.860 1.00 13.44 H new ATOM 0 HB ILE A 37 12.692 0.094 -6.079 1.00 43.02 H new ATOM 0 HG12 ILE A 37 14.685 0.004 -3.795 1.00 4.40 H new ATOM 0 HG13 ILE A 37 13.068 0.657 -3.618 1.00 4.40 H new ATOM 0 HG21 ILE A 37 14.553 -1.506 -6.309 1.00 35.33 H new ATOM 0 HG22 ILE A 37 14.687 -0.170 -7.477 1.00 35.33 H new ATOM 0 HG23 ILE A 37 15.716 -0.189 -6.025 1.00 35.33 H new ATOM 0 HD11 ILE A 37 13.162 -1.667 -2.862 1.00 22.21 H new ATOM 0 HD12 ILE A 37 12.103 -1.515 -4.284 1.00 22.21 H new ATOM 0 HD13 ILE A 37 13.745 -2.179 -4.463 1.00 22.21 H new ATOM 540 N LEU A 38 12.804 3.043 -3.997 1.00 3.52 N ATOM 541 CA LEU A 38 11.722 3.773 -3.345 1.00 41.01 C ATOM 542 C LEU A 38 11.962 5.278 -3.412 1.00 70.15 C ATOM 543 O LEU A 38 11.344 6.049 -2.680 1.00 35.32 O ATOM 544 CB LEU A 38 11.588 3.331 -1.887 1.00 3.12 C ATOM 545 CG LEU A 38 10.522 2.273 -1.601 1.00 53.41 C ATOM 546 CD1 LEU A 38 10.990 0.903 -2.066 1.00 43.44 C ATOM 547 CD2 LEU A 38 10.180 2.247 -0.118 1.00 43.14 C ATOM 0 H LEU A 38 13.632 2.910 -3.417 1.00 3.52 H new ATOM 0 HA LEU A 38 10.796 3.548 -3.873 1.00 41.01 H new ATOM 0 HB2 LEU A 38 12.552 2.945 -1.555 1.00 3.12 H new ATOM 0 HB3 LEU A 38 11.371 4.210 -1.280 1.00 3.12 H new ATOM 0 HG LEU A 38 9.621 2.534 -2.157 1.00 53.41 H new ATOM 0 HD11 LEU A 38 10.218 0.163 -1.854 1.00 43.44 H new ATOM 0 HD12 LEU A 38 11.183 0.929 -3.139 1.00 43.44 H new ATOM 0 HD13 LEU A 38 11.905 0.633 -1.539 1.00 43.44 H new ATOM 0 HD21 LEU A 38 9.420 1.488 0.067 1.00 43.14 H new ATOM 0 HD22 LEU A 38 11.075 2.012 0.458 1.00 43.14 H new ATOM 0 HD23 LEU A 38 9.800 3.223 0.185 1.00 43.14 H new ATOM 559 N GLY A 39 12.864 5.689 -4.299 1.00 15.40 N ATOM 560 CA GLY A 39 13.168 7.101 -4.447 1.00 74.43 C ATOM 561 C GLY A 39 12.637 7.675 -5.746 1.00 20.40 C ATOM 562 O GLY A 39 12.590 8.892 -5.922 1.00 14.24 O ATOM 0 H GLY A 39 13.389 5.070 -4.917 1.00 15.40 H new ATOM 0 HA2 GLY A 39 12.741 7.651 -3.609 1.00 74.43 H new ATOM 0 HA3 GLY A 39 14.248 7.243 -4.405 1.00 74.43 H new ATOM 566 N VAL A 40 12.238 6.796 -6.660 1.00 50.03 N ATOM 567 CA VAL A 40 11.709 7.222 -7.950 1.00 53.23 C ATOM 568 C VAL A 40 10.292 7.768 -7.810 1.00 21.30 C ATOM 569 O VAL A 40 9.882 8.662 -8.551 1.00 63.11 O ATOM 570 CB VAL A 40 11.703 6.063 -8.965 1.00 14.31 C ATOM 571 CG1 VAL A 40 10.961 4.862 -8.399 1.00 24.30 C ATOM 572 CG2 VAL A 40 11.084 6.511 -10.280 1.00 74.14 C ATOM 0 H VAL A 40 12.271 5.785 -6.531 1.00 50.03 H new ATOM 0 HA VAL A 40 12.365 8.012 -8.316 1.00 53.23 H new ATOM 0 HB VAL A 40 12.734 5.765 -9.157 1.00 14.31 H new ATOM 0 HG11 VAL A 40 10.967 4.053 -9.130 1.00 24.30 H new ATOM 0 HG12 VAL A 40 11.452 4.529 -7.485 1.00 24.30 H new ATOM 0 HG13 VAL A 40 9.931 5.142 -8.176 1.00 24.30 H new ATOM 0 HG21 VAL A 40 11.088 5.680 -10.986 1.00 74.14 H new ATOM 0 HG22 VAL A 40 10.058 6.836 -10.107 1.00 74.14 H new ATOM 0 HG23 VAL A 40 11.662 7.339 -10.691 1.00 74.14 H new ATOM 582 N THR A 41 9.546 7.224 -6.853 1.00 63.11 N ATOM 583 CA THR A 41 8.175 7.655 -6.615 1.00 53.11 C ATOM 584 C THR A 41 7.882 7.758 -5.123 1.00 34.53 C ATOM 585 O THR A 41 7.230 8.700 -4.671 1.00 3.34 O ATOM 586 CB THR A 41 7.162 6.690 -7.260 1.00 44.05 C ATOM 587 OG1 THR A 41 5.835 7.012 -6.830 1.00 2.20 O ATOM 588 CG2 THR A 41 7.483 5.248 -6.898 1.00 34.24 C ATOM 0 H THR A 41 9.869 6.484 -6.230 1.00 63.11 H new ATOM 0 HA THR A 41 8.070 8.639 -7.072 1.00 53.11 H new ATOM 0 HB THR A 41 7.228 6.799 -8.342 1.00 44.05 H new ATOM 0 HG1 THR A 41 5.198 6.395 -7.246 1.00 2.20 H new ATOM 0 HG21 THR A 41 6.755 4.585 -7.365 1.00 34.24 H new ATOM 0 HG22 THR A 41 8.482 4.997 -7.254 1.00 34.24 H new ATOM 0 HG23 THR A 41 7.443 5.127 -5.815 1.00 34.24 H new ATOM 596 N LEU A 42 8.366 6.783 -4.361 1.00 63.12 N ATOM 597 CA LEU A 42 8.157 6.764 -2.918 1.00 32.34 C ATOM 598 C LEU A 42 9.026 7.810 -2.227 1.00 52.24 C ATOM 599 O LEU A 42 10.022 8.284 -2.774 1.00 51.21 O ATOM 600 CB LEU A 42 8.467 5.375 -2.356 1.00 4.32 C ATOM 601 CG LEU A 42 7.296 4.393 -2.308 1.00 45.05 C ATOM 602 CD1 LEU A 42 7.250 3.556 -3.578 1.00 11.44 C ATOM 603 CD2 LEU A 42 7.400 3.499 -1.082 1.00 33.25 C ATOM 0 H LEU A 42 8.906 5.995 -4.719 1.00 63.12 H new ATOM 0 HA LEU A 42 7.111 7.003 -2.725 1.00 32.34 H new ATOM 0 HB2 LEU A 42 9.262 4.932 -2.955 1.00 4.32 H new ATOM 0 HB3 LEU A 42 8.858 5.493 -1.345 1.00 4.32 H new ATOM 0 HG LEU A 42 6.370 4.964 -2.239 1.00 45.05 H new ATOM 0 HD11 LEU A 42 6.411 2.863 -3.527 1.00 11.44 H new ATOM 0 HD12 LEU A 42 7.128 4.211 -4.441 1.00 11.44 H new ATOM 0 HD13 LEU A 42 8.179 2.994 -3.677 1.00 11.44 H new ATOM 0 HD21 LEU A 42 6.558 2.807 -1.064 1.00 33.25 H new ATOM 0 HD22 LEU A 42 8.332 2.936 -1.120 1.00 33.25 H new ATOM 0 HD23 LEU A 42 7.384 4.113 -0.182 1.00 33.25 H new ATOM 615 N PRO A 43 8.643 8.179 -0.996 1.00 32.21 N ATOM 616 CA PRO A 43 9.375 9.171 -0.203 1.00 30.21 C ATOM 617 C PRO A 43 10.729 8.652 0.267 1.00 25.13 C ATOM 618 O PRO A 43 11.180 7.589 -0.159 1.00 75.12 O ATOM 619 CB PRO A 43 8.453 9.419 0.993 1.00 11.33 C ATOM 620 CG PRO A 43 7.649 8.171 1.118 1.00 64.00 C ATOM 621 CD PRO A 43 7.466 7.655 -0.282 1.00 51.05 C ATOM 0 HA PRO A 43 9.599 10.069 -0.779 1.00 30.21 H new ATOM 0 HB2 PRO A 43 9.025 9.614 1.900 1.00 11.33 H new ATOM 0 HB3 PRO A 43 7.814 10.286 0.827 1.00 11.33 H new ATOM 0 HG2 PRO A 43 8.161 7.437 1.741 1.00 64.00 H new ATOM 0 HG3 PRO A 43 6.687 8.372 1.589 1.00 64.00 H new ATOM 0 HD2 PRO A 43 7.433 6.566 -0.308 1.00 51.05 H new ATOM 0 HD3 PRO A 43 6.536 8.013 -0.724 1.00 51.05 H new ATOM 629 N ALA A 44 11.374 9.409 1.149 1.00 65.12 N ATOM 630 CA ALA A 44 12.677 9.024 1.679 1.00 74.33 C ATOM 631 C ALA A 44 12.559 8.523 3.114 1.00 33.51 C ATOM 632 O ALA A 44 13.373 7.720 3.570 1.00 60.33 O ATOM 633 CB ALA A 44 13.644 10.195 1.604 1.00 3.45 C ATOM 0 H ALA A 44 11.016 10.292 1.512 1.00 65.12 H new ATOM 0 HA ALA A 44 13.064 8.209 1.068 1.00 74.33 H new ATOM 0 HB1 ALA A 44 14.612 9.893 2.003 1.00 3.45 H new ATOM 0 HB2 ALA A 44 13.760 10.505 0.566 1.00 3.45 H new ATOM 0 HB3 ALA A 44 13.254 11.027 2.190 1.00 3.45 H new ATOM 639 N TRP A 45 11.542 9.002 3.821 1.00 33.51 N ATOM 640 CA TRP A 45 11.319 8.602 5.206 1.00 75.00 C ATOM 641 C TRP A 45 10.837 7.157 5.285 1.00 50.51 C ATOM 642 O TRP A 45 11.103 6.458 6.261 1.00 21.54 O ATOM 643 CB TRP A 45 10.298 9.530 5.868 1.00 62.42 C ATOM 644 CG TRP A 45 8.924 9.417 5.280 1.00 1.10 C ATOM 645 CD1 TRP A 45 8.379 10.212 4.313 1.00 52.32 C ATOM 646 CD2 TRP A 45 7.921 8.455 5.623 1.00 24.53 C ATOM 647 NE1 TRP A 45 7.097 9.802 4.034 1.00 4.02 N ATOM 648 CE2 TRP A 45 6.793 8.725 4.824 1.00 24.01 C ATOM 649 CE3 TRP A 45 7.867 7.389 6.526 1.00 2.42 C ATOM 650 CZ2 TRP A 45 5.627 7.969 4.903 1.00 12.25 C ATOM 651 CZ3 TRP A 45 6.709 6.640 6.604 1.00 15.51 C ATOM 652 CH2 TRP A 45 5.601 6.932 5.796 1.00 4.43 C ATOM 0 H TRP A 45 10.859 9.667 3.459 1.00 33.51 H new ATOM 0 HA TRP A 45 12.268 8.678 5.737 1.00 75.00 H new ATOM 0 HB2 TRP A 45 10.249 9.304 6.933 1.00 62.42 H new ATOM 0 HB3 TRP A 45 10.641 10.560 5.776 1.00 62.42 H new ATOM 0 HD1 TRP A 45 8.881 11.041 3.837 1.00 52.32 H new ATOM 0 HE1 TRP A 45 6.473 10.230 3.350 1.00 4.02 H new ATOM 0 HE3 TRP A 45 8.716 7.155 7.152 1.00 2.42 H new ATOM 0 HZ2 TRP A 45 4.773 8.193 4.281 1.00 12.25 H new ATOM 0 HZ3 TRP A 45 6.656 5.815 7.299 1.00 15.51 H new ATOM 0 HH2 TRP A 45 4.710 6.327 5.880 1.00 4.43 H new ATOM 663 N ALA A 46 10.127 6.717 4.251 1.00 43.41 N ATOM 664 CA ALA A 46 9.611 5.355 4.203 1.00 0.22 C ATOM 665 C ALA A 46 10.728 4.337 4.408 1.00 51.33 C ATOM 666 O ALA A 46 10.489 3.225 4.880 1.00 23.02 O ATOM 667 CB ALA A 46 8.902 5.105 2.880 1.00 4.42 C ATOM 0 H ALA A 46 9.896 7.284 3.435 1.00 43.41 H new ATOM 0 HA ALA A 46 8.893 5.236 5.015 1.00 0.22 H new ATOM 0 HB1 ALA A 46 8.522 4.084 2.858 1.00 4.42 H new ATOM 0 HB2 ALA A 46 8.072 5.804 2.774 1.00 4.42 H new ATOM 0 HB3 ALA A 46 9.604 5.248 2.058 1.00 4.42 H new ATOM 673 N LEU A 47 11.947 4.724 4.049 1.00 61.22 N ATOM 674 CA LEU A 47 13.102 3.844 4.192 1.00 11.05 C ATOM 675 C LEU A 47 13.406 3.581 5.664 1.00 63.22 C ATOM 676 O LEU A 47 13.744 2.461 6.047 1.00 15.24 O ATOM 677 CB LEU A 47 14.324 4.459 3.509 1.00 24.00 C ATOM 678 CG LEU A 47 14.089 5.052 2.120 1.00 41.25 C ATOM 679 CD1 LEU A 47 15.348 5.738 1.612 1.00 70.24 C ATOM 680 CD2 LEU A 47 13.639 3.971 1.147 1.00 10.44 C ATOM 0 H LEU A 47 12.161 5.641 3.657 1.00 61.22 H new ATOM 0 HA LEU A 47 12.866 2.894 3.713 1.00 11.05 H new ATOM 0 HB2 LEU A 47 14.720 5.243 4.155 1.00 24.00 H new ATOM 0 HB3 LEU A 47 15.095 3.692 3.429 1.00 24.00 H new ATOM 0 HG LEU A 47 13.298 5.798 2.194 1.00 41.25 H new ATOM 0 HD11 LEU A 47 15.161 6.154 0.622 1.00 70.24 H new ATOM 0 HD12 LEU A 47 15.627 6.540 2.296 1.00 70.24 H new ATOM 0 HD13 LEU A 47 16.159 5.012 1.554 1.00 70.24 H new ATOM 0 HD21 LEU A 47 13.476 4.412 0.163 1.00 10.44 H new ATOM 0 HD22 LEU A 47 14.408 3.201 1.077 1.00 10.44 H new ATOM 0 HD23 LEU A 47 12.710 3.525 1.503 1.00 10.44 H new ATOM 692 N ALA A 48 13.283 4.620 6.483 1.00 33.33 N ATOM 693 CA ALA A 48 13.540 4.500 7.913 1.00 63.21 C ATOM 694 C ALA A 48 12.351 3.876 8.635 1.00 71.44 C ATOM 695 O ALA A 48 12.505 3.265 9.692 1.00 41.10 O ATOM 696 CB ALA A 48 13.865 5.863 8.507 1.00 74.51 C ATOM 0 H ALA A 48 13.007 5.554 6.181 1.00 33.33 H new ATOM 0 HA ALA A 48 14.399 3.842 8.048 1.00 63.21 H new ATOM 0 HB1 ALA A 48 14.055 5.758 9.575 1.00 74.51 H new ATOM 0 HB2 ALA A 48 14.751 6.271 8.019 1.00 74.51 H new ATOM 0 HB3 ALA A 48 13.023 6.537 8.352 1.00 74.51 H new ATOM 702 N ALA A 49 11.165 4.033 8.057 1.00 54.44 N ATOM 703 CA ALA A 49 9.949 3.484 8.644 1.00 22.05 C ATOM 704 C ALA A 49 9.915 1.965 8.514 1.00 15.02 C ATOM 705 O ALA A 49 9.265 1.280 9.303 1.00 33.31 O ATOM 706 CB ALA A 49 8.721 4.100 7.990 1.00 24.13 C ATOM 0 H ALA A 49 11.020 4.536 7.182 1.00 54.44 H new ATOM 0 HA ALA A 49 9.943 3.732 9.705 1.00 22.05 H new ATOM 0 HB1 ALA A 49 7.821 3.680 8.439 1.00 24.13 H new ATOM 0 HB2 ALA A 49 8.732 5.180 8.140 1.00 24.13 H new ATOM 0 HB3 ALA A 49 8.730 3.882 6.922 1.00 24.13 H new ATOM 712 N ALA A 50 10.617 1.445 7.513 1.00 4.41 N ATOM 713 CA ALA A 50 10.668 0.007 7.281 1.00 53.33 C ATOM 714 C ALA A 50 11.104 -0.737 8.538 1.00 31.01 C ATOM 715 O ALA A 50 10.749 -1.898 8.739 1.00 44.15 O ATOM 716 CB ALA A 50 11.607 -0.308 6.126 1.00 74.12 C ATOM 0 H ALA A 50 11.159 1.999 6.849 1.00 4.41 H new ATOM 0 HA ALA A 50 9.664 -0.330 7.021 1.00 53.33 H new ATOM 0 HB1 ALA A 50 11.636 -1.385 5.964 1.00 74.12 H new ATOM 0 HB2 ALA A 50 11.250 0.186 5.222 1.00 74.12 H new ATOM 0 HB3 ALA A 50 12.609 0.050 6.364 1.00 74.12 H new ATOM 722 N GLY A 51 11.877 -0.061 9.383 1.00 54.42 N ATOM 723 CA GLY A 51 12.349 -0.675 10.610 1.00 43.32 C ATOM 724 C GLY A 51 11.224 -1.275 11.429 1.00 53.32 C ATOM 725 O GLY A 51 11.419 -2.265 12.133 1.00 41.02 O ATOM 0 H GLY A 51 12.185 0.901 9.239 1.00 54.42 H new ATOM 0 HA2 GLY A 51 13.073 -1.453 10.368 1.00 43.32 H new ATOM 0 HA3 GLY A 51 12.872 0.071 11.208 1.00 43.32 H new ATOM 729 N ALA A 52 10.042 -0.673 11.338 1.00 3.24 N ATOM 730 CA ALA A 52 8.881 -1.154 12.077 1.00 63.23 C ATOM 731 C ALA A 52 7.817 -1.700 11.131 1.00 70.22 C ATOM 732 O ALA A 52 7.621 -2.912 11.034 1.00 71.33 O ATOM 733 CB ALA A 52 8.304 -0.040 12.937 1.00 30.12 C ATOM 0 H ALA A 52 9.864 0.148 10.760 1.00 3.24 H new ATOM 0 HA ALA A 52 9.205 -1.967 12.726 1.00 63.23 H new ATOM 0 HB1 ALA A 52 7.438 -0.413 13.483 1.00 30.12 H new ATOM 0 HB2 ALA A 52 9.059 0.302 13.645 1.00 30.12 H new ATOM 0 HB3 ALA A 52 8.001 0.791 12.300 1.00 30.12 H new ATOM 739 N LEU A 53 7.132 -0.799 10.436 1.00 74.12 N ATOM 740 CA LEU A 53 6.086 -1.191 9.497 1.00 13.32 C ATOM 741 C LEU A 53 6.497 -0.879 8.062 1.00 3.20 C ATOM 742 O LEU A 53 6.737 -1.783 7.263 1.00 33.55 O ATOM 743 CB LEU A 53 4.777 -0.472 9.832 1.00 24.42 C ATOM 744 CG LEU A 53 3.885 -1.152 10.871 1.00 22.52 C ATOM 745 CD1 LEU A 53 3.477 -2.539 10.399 1.00 70.15 C ATOM 746 CD2 LEU A 53 4.596 -1.233 12.214 1.00 3.32 C ATOM 0 H LEU A 53 7.282 0.208 10.505 1.00 74.12 H new ATOM 0 HA LEU A 53 5.936 -2.267 9.587 1.00 13.32 H new ATOM 0 HB2 LEU A 53 5.017 0.530 10.188 1.00 24.42 H new ATOM 0 HB3 LEU A 53 4.204 -0.355 8.912 1.00 24.42 H new ATOM 0 HG LEU A 53 2.983 -0.552 10.995 1.00 22.52 H new ATOM 0 HD11 LEU A 53 2.843 -3.007 11.151 1.00 70.15 H new ATOM 0 HD12 LEU A 53 2.928 -2.457 9.461 1.00 70.15 H new ATOM 0 HD13 LEU A 53 4.368 -3.148 10.246 1.00 70.15 H new ATOM 0 HD21 LEU A 53 3.946 -1.720 12.941 1.00 3.32 H new ATOM 0 HD22 LEU A 53 5.515 -1.810 12.105 1.00 3.32 H new ATOM 0 HD23 LEU A 53 4.837 -0.228 12.559 1.00 3.32 H new ATOM 758 N GLY A 54 6.580 0.409 7.742 1.00 54.22 N ATOM 759 CA GLY A 54 6.965 0.818 6.404 1.00 73.34 C ATOM 760 C GLY A 54 5.815 0.737 5.419 1.00 13.44 C ATOM 761 O GLY A 54 4.760 1.332 5.638 1.00 75.13 O ATOM 0 H GLY A 54 6.387 1.176 8.386 1.00 54.22 H new ATOM 0 HA2 GLY A 54 7.342 1.840 6.434 1.00 73.34 H new ATOM 0 HA3 GLY A 54 7.783 0.187 6.056 1.00 73.34 H new ATOM 765 N ALA A 55 6.019 0.002 4.332 1.00 60.42 N ATOM 766 CA ALA A 55 4.991 -0.154 3.311 1.00 74.43 C ATOM 767 C ALA A 55 3.853 -1.041 3.808 1.00 44.53 C ATOM 768 O ALA A 55 2.693 -0.840 3.449 1.00 53.44 O ATOM 769 CB ALA A 55 5.593 -0.730 2.038 1.00 65.40 C ATOM 0 H ALA A 55 6.888 -0.495 4.135 1.00 60.42 H new ATOM 0 HA ALA A 55 4.580 0.832 3.092 1.00 74.43 H new ATOM 0 HB1 ALA A 55 4.813 -0.841 1.285 1.00 65.40 H new ATOM 0 HB2 ALA A 55 6.366 -0.058 1.664 1.00 65.40 H new ATOM 0 HB3 ALA A 55 6.032 -1.704 2.252 1.00 65.40 H new ATOM 775 N THR A 56 4.194 -2.023 4.636 1.00 34.21 N ATOM 776 CA THR A 56 3.202 -2.941 5.181 1.00 74.41 C ATOM 777 C THR A 56 2.122 -3.259 4.152 1.00 4.51 C ATOM 778 O THR A 56 0.933 -3.259 4.467 1.00 73.03 O ATOM 779 CB THR A 56 2.536 -2.365 6.445 1.00 44.42 C ATOM 780 OG1 THR A 56 1.589 -3.301 6.970 1.00 12.43 O ATOM 781 CG2 THR A 56 1.839 -1.048 6.136 1.00 21.24 C ATOM 0 H THR A 56 5.150 -2.203 4.944 1.00 34.21 H new ATOM 0 HA THR A 56 3.731 -3.857 5.444 1.00 74.41 H new ATOM 0 HB THR A 56 3.313 -2.181 7.187 1.00 44.42 H new ATOM 0 HG1 THR A 56 0.989 -3.596 6.253 1.00 12.43 H new ATOM 0 HG21 THR A 56 1.376 -0.660 7.043 1.00 21.24 H new ATOM 0 HG22 THR A 56 2.569 -0.328 5.765 1.00 21.24 H new ATOM 0 HG23 THR A 56 1.072 -1.211 5.378 1.00 21.24 H new ATOM 789 N ALA A 57 2.546 -3.529 2.922 1.00 55.45 N ATOM 790 CA ALA A 57 1.615 -3.850 1.847 1.00 74.20 C ATOM 791 C ALA A 57 0.712 -2.663 1.529 1.00 35.24 C ATOM 792 O ALA A 57 -0.512 -2.765 1.606 1.00 15.41 O ATOM 793 CB ALA A 57 0.780 -5.067 2.219 1.00 54.44 C ATOM 0 H ALA A 57 3.528 -3.532 2.645 1.00 55.45 H new ATOM 0 HA ALA A 57 2.195 -4.080 0.953 1.00 74.20 H new ATOM 0 HB1 ALA A 57 0.089 -5.296 1.408 1.00 54.44 H new ATOM 0 HB2 ALA A 57 1.436 -5.921 2.388 1.00 54.44 H new ATOM 0 HB3 ALA A 57 0.216 -4.857 3.128 1.00 54.44 H new ATOM 799 N ALA A 58 1.324 -1.539 1.173 1.00 14.43 N ATOM 800 CA ALA A 58 0.574 -0.333 0.843 1.00 43.30 C ATOM 801 C ALA A 58 0.819 0.087 -0.603 1.00 32.24 C ATOM 802 O ALA A 58 -0.113 0.158 -1.404 1.00 55.24 O ATOM 803 CB ALA A 58 0.946 0.797 1.792 1.00 24.54 C ATOM 0 H ALA A 58 2.337 -1.438 1.106 1.00 14.43 H new ATOM 0 HA ALA A 58 -0.488 -0.553 0.956 1.00 43.30 H new ATOM 0 HB1 ALA A 58 0.378 1.691 1.534 1.00 24.54 H new ATOM 0 HB2 ALA A 58 0.714 0.503 2.816 1.00 24.54 H new ATOM 0 HB3 ALA A 58 2.012 1.007 1.707 1.00 24.54 H new TER 809 ALA A 58