USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 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 Single : A 1 ILE N :NH3+ -134:sc= -0.175 (180deg=-1.28) USER MOD Single : A 2 TYR OH : rot 130:sc= -0.803 USER MOD Single : A 7 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.7) USER MOD Single : A 11 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 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 -54:sc= 0.714 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.876 -0.114 -1.257 1.00 64.44 N ATOM 2 CA ILE A 1 1.368 -0.236 -2.624 1.00 44.11 C ATOM 3 C ILE A 1 0.731 -1.426 -3.334 1.00 2.41 C ATOM 4 O ILE A 1 0.580 -1.424 -4.556 1.00 33.42 O ATOM 5 CB ILE A 1 2.900 -0.392 -2.659 1.00 42.32 C ATOM 6 CG1 ILE A 1 3.572 0.813 -1.997 1.00 65.13 C ATOM 7 CG2 ILE A 1 3.383 -0.553 -4.093 1.00 23.43 C ATOM 8 CD1 ILE A 1 3.334 2.115 -2.728 1.00 54.44 C ATOM 0 H1 ILE A 1 0.629 0.878 -1.064 1.00 64.44 H new ATOM 0 H3 ILE A 1 1.615 -0.422 -0.593 1.00 64.44 H new ATOM 0 HA ILE A 1 1.092 0.683 -3.141 1.00 44.11 H new ATOM 0 HB ILE A 1 3.172 -1.288 -2.102 1.00 42.32 H new ATOM 0 HG12 ILE A 1 3.205 0.907 -0.975 1.00 65.13 H new ATOM 0 HG13 ILE A 1 4.645 0.632 -1.935 1.00 65.13 H new ATOM 0 HG21 ILE A 1 4.467 -0.662 -4.102 1.00 23.43 H new ATOM 0 HG22 ILE A 1 2.926 -1.439 -4.534 1.00 23.43 H new ATOM 0 HG23 ILE A 1 3.102 0.327 -4.672 1.00 23.43 H new ATOM 0 HD11 ILE A 1 3.839 2.925 -2.202 1.00 54.44 H new ATOM 0 HD12 ILE A 1 3.726 2.040 -3.742 1.00 54.44 H new ATOM 0 HD13 ILE A 1 2.264 2.320 -2.767 1.00 54.44 H new ATOM 20 N TYR A 2 0.358 -2.439 -2.560 1.00 2.30 N ATOM 21 CA TYR A 2 -0.263 -3.636 -3.114 1.00 43.24 C ATOM 22 C TYR A 2 -1.752 -3.413 -3.361 1.00 44.23 C ATOM 23 O TYR A 2 -2.450 -4.299 -3.854 1.00 42.21 O ATOM 24 CB TYR A 2 -0.063 -4.823 -2.171 1.00 10.02 C ATOM 25 CG TYR A 2 1.390 -5.155 -1.915 1.00 34.23 C ATOM 26 CD1 TYR A 2 2.153 -4.393 -1.039 1.00 12.21 C ATOM 27 CD2 TYR A 2 1.999 -6.231 -2.549 1.00 2.41 C ATOM 28 CE1 TYR A 2 3.481 -4.692 -0.802 1.00 74.02 C ATOM 29 CE2 TYR A 2 3.326 -6.538 -2.317 1.00 72.11 C ATOM 30 CZ TYR A 2 4.062 -5.766 -1.443 1.00 44.23 C ATOM 31 OH TYR A 2 5.385 -6.068 -1.211 1.00 34.02 O ATOM 0 H TYR A 2 0.475 -2.455 -1.547 1.00 2.30 H new ATOM 0 HA TYR A 2 0.216 -3.854 -4.068 1.00 43.24 H new ATOM 0 HB2 TYR A 2 -0.551 -4.607 -1.220 1.00 10.02 H new ATOM 0 HB3 TYR A 2 -0.558 -5.698 -2.592 1.00 10.02 H new ATOM 0 HD1 TYR A 2 1.700 -3.552 -0.534 1.00 12.21 H new ATOM 0 HD2 TYR A 2 1.426 -6.837 -3.234 1.00 2.41 H new ATOM 0 HE1 TYR A 2 4.060 -4.088 -0.119 1.00 74.02 H new ATOM 0 HE2 TYR A 2 3.784 -7.378 -2.817 1.00 72.11 H new ATOM 0 HH TYR A 2 5.470 -7.020 -0.995 1.00 34.02 H new ATOM 41 N TRP A 3 -2.230 -2.223 -3.016 1.00 22.03 N ATOM 42 CA TRP A 3 -3.636 -1.882 -3.200 1.00 1.21 C ATOM 43 C TRP A 3 -3.801 -0.822 -4.283 1.00 54.41 C ATOM 44 O TRP A 3 -4.752 -0.863 -5.065 1.00 30.24 O ATOM 45 CB TRP A 3 -4.237 -1.383 -1.885 1.00 35.31 C ATOM 46 CG TRP A 3 -5.695 -1.051 -1.987 1.00 34.11 C ATOM 47 CD1 TRP A 3 -6.743 -1.924 -1.906 1.00 25.12 C ATOM 48 CD2 TRP A 3 -6.267 0.246 -2.191 1.00 25.21 C ATOM 49 NE1 TRP A 3 -7.930 -1.248 -2.047 1.00 53.21 N ATOM 50 CE2 TRP A 3 -7.666 0.085 -2.222 1.00 64.43 C ATOM 51 CE3 TRP A 3 -5.733 1.528 -2.348 1.00 23.31 C ATOM 52 CZ2 TRP A 3 -8.534 1.157 -2.406 1.00 12.24 C ATOM 53 CZ3 TRP A 3 -6.596 2.591 -2.530 1.00 51.10 C ATOM 54 CH2 TRP A 3 -7.984 2.401 -2.557 1.00 11.11 C ATOM 0 H TRP A 3 -1.665 -1.478 -2.608 1.00 22.03 H new ATOM 0 HA TRP A 3 -4.165 -2.782 -3.515 1.00 1.21 H new ATOM 0 HB2 TRP A 3 -4.098 -2.145 -1.118 1.00 35.31 H new ATOM 0 HB3 TRP A 3 -3.692 -0.498 -1.557 1.00 35.31 H new ATOM 0 HD1 TRP A 3 -6.651 -2.989 -1.753 1.00 25.12 H new ATOM 0 HE1 TRP A 3 -8.858 -1.670 -2.025 1.00 53.21 H new ATOM 0 HE3 TRP A 3 -4.665 1.685 -2.327 1.00 23.31 H new ATOM 0 HZ2 TRP A 3 -9.604 1.012 -2.429 1.00 12.24 H new ATOM 0 HZ3 TRP A 3 -6.194 3.586 -2.654 1.00 51.10 H new ATOM 0 HH2 TRP A 3 -8.632 3.253 -2.700 1.00 11.11 H new ATOM 65 N ILE A 4 -2.871 0.126 -4.324 1.00 54.41 N ATOM 66 CA ILE A 4 -2.915 1.196 -5.313 1.00 42.31 C ATOM 67 C ILE A 4 -2.751 0.646 -6.726 1.00 33.12 C ATOM 68 O ILE A 4 -3.387 1.122 -7.666 1.00 5.51 O ATOM 69 CB ILE A 4 -1.820 2.247 -5.054 1.00 5.52 C ATOM 70 CG1 ILE A 4 -2.131 3.037 -3.781 1.00 54.51 C ATOM 71 CG2 ILE A 4 -1.691 3.183 -6.246 1.00 43.34 C ATOM 72 CD1 ILE A 4 -1.068 2.907 -2.713 1.00 40.12 C ATOM 0 H ILE A 4 -2.078 0.175 -3.684 1.00 54.41 H new ATOM 0 HA ILE A 4 -3.892 1.670 -5.221 1.00 42.31 H new ATOM 0 HB ILE A 4 -0.869 1.732 -4.917 1.00 5.52 H new ATOM 0 HG12 ILE A 4 -2.250 4.090 -4.037 1.00 54.51 H new ATOM 0 HG13 ILE A 4 -3.084 2.697 -3.376 1.00 54.51 H new ATOM 0 HG21 ILE A 4 -0.913 3.920 -6.047 1.00 43.34 H new ATOM 0 HG22 ILE A 4 -1.428 2.608 -7.134 1.00 43.34 H new ATOM 0 HG23 ILE A 4 -2.640 3.693 -6.413 1.00 43.34 H new ATOM 0 HD11 ILE A 4 -1.356 3.493 -1.840 1.00 40.12 H new ATOM 0 HD12 ILE A 4 -0.964 1.860 -2.429 1.00 40.12 H new ATOM 0 HD13 ILE A 4 -0.117 3.274 -3.099 1.00 40.12 H new ATOM 84 N ALA A 5 -1.896 -0.362 -6.867 1.00 55.21 N ATOM 85 CA ALA A 5 -1.652 -0.980 -8.164 1.00 72.22 C ATOM 86 C ALA A 5 -2.933 -1.577 -8.738 1.00 22.35 C ATOM 87 O ALA A 5 -3.027 -1.832 -9.938 1.00 62.33 O ATOM 88 CB ALA A 5 -0.576 -2.049 -8.045 1.00 33.41 C ATOM 0 H ALA A 5 -1.361 -0.768 -6.099 1.00 55.21 H new ATOM 0 HA ALA A 5 -1.305 -0.206 -8.848 1.00 72.22 H new ATOM 0 HB1 ALA A 5 -0.404 -2.502 -9.021 1.00 33.41 H new ATOM 0 HB2 ALA A 5 0.349 -1.596 -7.687 1.00 33.41 H new ATOM 0 HB3 ALA A 5 -0.901 -2.815 -7.341 1.00 33.41 H new ATOM 94 N ASP A 6 -3.916 -1.799 -7.872 1.00 0.40 N ATOM 95 CA ASP A 6 -5.192 -2.366 -8.293 1.00 1.23 C ATOM 96 C ASP A 6 -6.133 -1.274 -8.792 1.00 75.41 C ATOM 97 O ASP A 6 -6.401 -1.173 -9.989 1.00 20.00 O ATOM 98 CB ASP A 6 -5.842 -3.128 -7.137 1.00 3.44 C ATOM 99 CG ASP A 6 -7.112 -3.841 -7.555 1.00 60.50 C ATOM 100 OD1 ASP A 6 -7.405 -3.870 -8.769 1.00 1.51 O ATOM 101 OD2 ASP A 6 -7.813 -4.373 -6.669 1.00 2.12 O ATOM 0 H ASP A 6 -3.854 -1.595 -6.875 1.00 0.40 H new ATOM 0 HA ASP A 6 -5.001 -3.059 -9.113 1.00 1.23 H new ATOM 0 HB2 ASP A 6 -5.134 -3.856 -6.742 1.00 3.44 H new ATOM 0 HB3 ASP A 6 -6.069 -2.432 -6.329 1.00 3.44 H new ATOM 106 N GLN A 7 -6.633 -0.462 -7.866 1.00 40.15 N ATOM 107 CA GLN A 7 -7.546 0.621 -8.213 1.00 72.44 C ATOM 108 C GLN A 7 -6.916 1.556 -9.240 1.00 14.31 C ATOM 109 O GLN A 7 -7.402 1.678 -10.365 1.00 22.32 O ATOM 110 CB GLN A 7 -7.937 1.407 -6.961 1.00 55.21 C ATOM 111 CG GLN A 7 -8.588 0.553 -5.885 1.00 55.30 C ATOM 112 CD GLN A 7 -9.948 0.026 -6.301 1.00 2.51 C ATOM 113 OE1 GLN A 7 -10.054 -0.808 -7.200 1.00 54.12 O ATOM 114 NE2 GLN A 7 -10.997 0.512 -5.647 1.00 25.10 N ATOM 0 H GLN A 7 -6.422 -0.533 -6.871 1.00 40.15 H new ATOM 0 HA GLN A 7 -8.442 0.181 -8.651 1.00 72.44 H new ATOM 0 HB2 GLN A 7 -7.047 1.882 -6.547 1.00 55.21 H new ATOM 0 HB3 GLN A 7 -8.623 2.206 -7.243 1.00 55.21 H new ATOM 0 HG2 GLN A 7 -7.934 -0.286 -5.648 1.00 55.30 H new ATOM 0 HG3 GLN A 7 -8.694 1.142 -4.974 1.00 55.30 H new ATOM 0 HE21 GLN A 7 -10.862 1.202 -4.908 1.00 25.10 H new ATOM 0 HE22 GLN A 7 -11.937 0.195 -5.883 1.00 25.10 H new ATOM 123 N PHE A 8 -5.833 2.216 -8.845 1.00 3.51 N ATOM 124 CA PHE A 8 -5.137 3.143 -9.730 1.00 61.14 C ATOM 125 C PHE A 8 -4.318 2.387 -10.773 1.00 3.43 C ATOM 126 O PHE A 8 -4.660 2.370 -11.954 1.00 50.43 O ATOM 127 CB PHE A 8 -4.225 4.068 -8.921 1.00 72.41 C ATOM 128 CG PHE A 8 -4.940 4.804 -7.825 1.00 2.44 C ATOM 129 CD1 PHE A 8 -5.155 4.204 -6.595 1.00 12.14 C ATOM 130 CD2 PHE A 8 -5.397 6.097 -8.024 1.00 43.21 C ATOM 131 CE1 PHE A 8 -5.812 4.879 -5.583 1.00 52.52 C ATOM 132 CE2 PHE A 8 -6.054 6.778 -7.016 1.00 62.44 C ATOM 133 CZ PHE A 8 -6.263 6.168 -5.795 1.00 21.41 C ATOM 0 H PHE A 8 -5.418 2.126 -7.918 1.00 3.51 H new ATOM 0 HA PHE A 8 -5.885 3.744 -10.246 1.00 61.14 H new ATOM 0 HB2 PHE A 8 -3.417 3.479 -8.486 1.00 72.41 H new ATOM 0 HB3 PHE A 8 -3.765 4.792 -9.594 1.00 72.41 H new ATOM 0 HD1 PHE A 8 -4.805 3.197 -6.425 1.00 12.14 H new ATOM 0 HD2 PHE A 8 -5.238 6.578 -8.978 1.00 43.21 H new ATOM 0 HE1 PHE A 8 -5.972 4.400 -4.629 1.00 52.52 H new ATOM 0 HE2 PHE A 8 -6.403 7.786 -7.183 1.00 62.44 H new ATOM 0 HZ PHE A 8 -6.778 6.697 -5.007 1.00 21.41 H new ATOM 143 N GLY A 9 -3.232 1.763 -10.325 1.00 52.32 N ATOM 144 CA GLY A 9 -2.380 1.015 -11.231 1.00 11.20 C ATOM 145 C GLY A 9 -1.185 1.821 -11.701 1.00 75.24 C ATOM 146 O GLY A 9 -1.231 2.452 -12.758 1.00 32.30 O ATOM 0 H GLY A 9 -2.928 1.762 -9.351 1.00 52.32 H new ATOM 0 HA2 GLY A 9 -2.031 0.110 -10.733 1.00 11.20 H new ATOM 0 HA3 GLY A 9 -2.964 0.698 -12.095 1.00 11.20 H new ATOM 150 N ILE A 10 -0.114 1.802 -10.915 1.00 73.55 N ATOM 151 CA ILE A 10 1.097 2.536 -11.258 1.00 0.42 C ATOM 152 C ILE A 10 2.105 1.636 -11.964 1.00 3.15 C ATOM 153 O ILE A 10 2.188 0.440 -11.684 1.00 73.52 O ATOM 154 CB ILE A 10 1.758 3.147 -10.007 1.00 74.45 C ATOM 155 CG1 ILE A 10 0.747 3.994 -9.232 1.00 33.11 C ATOM 156 CG2 ILE A 10 2.966 3.983 -10.401 1.00 60.35 C ATOM 157 CD1 ILE A 10 1.256 4.461 -7.887 1.00 1.45 C ATOM 0 H ILE A 10 -0.061 1.286 -10.037 1.00 73.55 H new ATOM 0 HA ILE A 10 0.799 3.340 -11.931 1.00 0.42 H new ATOM 0 HB ILE A 10 2.097 2.337 -9.361 1.00 74.45 H new ATOM 0 HG12 ILE A 10 0.478 4.864 -9.832 1.00 33.11 H new ATOM 0 HG13 ILE A 10 -0.164 3.414 -9.085 1.00 33.11 H new ATOM 0 HG21 ILE A 10 3.422 4.408 -9.507 1.00 60.35 H new ATOM 0 HG22 ILE A 10 3.692 3.353 -10.914 1.00 60.35 H new ATOM 0 HG23 ILE A 10 2.651 4.788 -11.065 1.00 60.35 H new ATOM 0 HD11 ILE A 10 0.487 5.056 -7.394 1.00 1.45 H new ATOM 0 HD12 ILE A 10 1.498 3.596 -7.269 1.00 1.45 H new ATOM 0 HD13 ILE A 10 2.150 5.068 -8.027 1.00 1.45 H new ATOM 169 N HIS A 11 2.873 2.220 -12.879 1.00 33.32 N ATOM 170 CA HIS A 11 3.878 1.471 -13.624 1.00 24.55 C ATOM 171 C HIS A 11 5.263 1.662 -13.011 1.00 53.53 C ATOM 172 O HIS A 11 6.255 1.806 -13.727 1.00 10.43 O ATOM 173 CB HIS A 11 3.891 1.909 -15.088 1.00 54.12 C ATOM 174 CG HIS A 11 2.677 1.478 -15.852 1.00 53.45 C ATOM 175 ND1 HIS A 11 2.512 1.717 -17.201 1.00 23.14 N ATOM 176 CD2 HIS A 11 1.565 0.819 -15.450 1.00 41.03 C ATOM 177 CE1 HIS A 11 1.351 1.225 -17.594 1.00 63.42 C ATOM 178 NE2 HIS A 11 0.757 0.674 -16.551 1.00 61.21 N ATOM 0 H HIS A 11 2.818 3.209 -13.122 1.00 33.32 H new ATOM 0 HA HIS A 11 3.619 0.413 -13.572 1.00 24.55 H new ATOM 0 HB2 HIS A 11 3.972 2.995 -15.133 1.00 54.12 H new ATOM 0 HB3 HIS A 11 4.779 1.502 -15.573 1.00 54.12 H new ATOM 0 HD2 HIS A 11 1.353 0.472 -14.450 1.00 41.03 H new ATOM 0 HE1 HIS A 11 0.955 1.266 -18.598 1.00 63.42 H new ATOM 0 HE2 HIS A 11 -0.154 0.215 -16.561 1.00 61.21 H new ATOM 186 N LEU A 12 5.322 1.664 -11.684 1.00 40.42 N ATOM 187 CA LEU A 12 6.585 1.840 -10.975 1.00 72.50 C ATOM 188 C LEU A 12 7.510 0.650 -11.209 1.00 20.54 C ATOM 189 O LEU A 12 8.530 0.767 -11.887 1.00 11.40 O ATOM 190 CB LEU A 12 6.331 2.016 -9.477 1.00 11.40 C ATOM 191 CG LEU A 12 6.973 3.243 -8.828 1.00 21.24 C ATOM 192 CD1 LEU A 12 8.489 3.160 -8.913 1.00 22.52 C ATOM 193 CD2 LEU A 12 6.469 4.520 -9.485 1.00 24.52 C ATOM 0 H LEU A 12 4.511 1.546 -11.077 1.00 40.42 H new ATOM 0 HA LEU A 12 7.070 2.736 -11.363 1.00 72.50 H new ATOM 0 HB2 LEU A 12 5.254 2.065 -9.315 1.00 11.40 H new ATOM 0 HB3 LEU A 12 6.691 1.126 -8.961 1.00 11.40 H new ATOM 0 HG LEU A 12 6.689 3.264 -7.776 1.00 21.24 H new ATOM 0 HD11 LEU A 12 8.928 4.042 -8.446 1.00 22.52 H new ATOM 0 HD12 LEU A 12 8.834 2.265 -8.395 1.00 22.52 H new ATOM 0 HD13 LEU A 12 8.793 3.114 -9.959 1.00 22.52 H new ATOM 0 HD21 LEU A 12 6.937 5.383 -9.010 1.00 24.52 H new ATOM 0 HD22 LEU A 12 6.722 4.508 -10.545 1.00 24.52 H new ATOM 0 HD23 LEU A 12 5.387 4.585 -9.371 1.00 24.52 H new ATOM 205 N ALA A 13 7.145 -0.497 -10.643 1.00 44.34 N ATOM 206 CA ALA A 13 7.940 -1.709 -10.794 1.00 22.34 C ATOM 207 C ALA A 13 7.703 -2.356 -12.154 1.00 43.02 C ATOM 208 O ALA A 13 7.276 -3.508 -12.240 1.00 40.25 O ATOM 209 CB ALA A 13 7.620 -2.692 -9.677 1.00 72.01 C ATOM 0 H ALA A 13 6.305 -0.611 -10.076 1.00 44.34 H new ATOM 0 HA ALA A 13 8.993 -1.433 -10.731 1.00 22.34 H new ATOM 0 HB1 ALA A 13 8.221 -3.593 -9.802 1.00 72.01 H new ATOM 0 HB2 ALA A 13 7.847 -2.235 -8.714 1.00 72.01 H new ATOM 0 HB3 ALA A 13 6.562 -2.953 -9.714 1.00 72.01 H new ATOM 215 N THR A 14 7.983 -1.607 -13.217 1.00 32.52 N ATOM 216 CA THR A 14 7.798 -2.107 -14.573 1.00 64.14 C ATOM 217 C THR A 14 8.627 -3.364 -14.814 1.00 35.13 C ATOM 218 O THR A 14 8.368 -4.120 -15.749 1.00 71.21 O ATOM 219 CB THR A 14 8.183 -1.045 -15.620 1.00 40.25 C ATOM 220 OG1 THR A 14 8.136 -1.612 -16.934 1.00 71.33 O ATOM 221 CG2 THR A 14 9.576 -0.497 -15.349 1.00 11.21 C ATOM 0 H THR A 14 8.339 -0.652 -13.164 1.00 32.52 H new ATOM 0 HA THR A 14 6.740 -2.346 -14.680 1.00 64.14 H new ATOM 0 HB THR A 14 7.468 -0.225 -15.552 1.00 40.25 H new ATOM 0 HG1 THR A 14 8.381 -0.930 -17.594 1.00 71.33 H new ATOM 0 HG21 THR A 14 9.825 0.251 -16.101 1.00 11.21 H new ATOM 0 HG22 THR A 14 9.601 -0.039 -14.360 1.00 11.21 H new ATOM 0 HG23 THR A 14 10.301 -1.310 -15.391 1.00 11.21 H new ATOM 229 N GLY A 15 9.624 -3.582 -13.962 1.00 20.21 N ATOM 230 CA GLY A 15 10.475 -4.750 -14.099 1.00 53.10 C ATOM 231 C GLY A 15 11.593 -4.776 -13.076 1.00 35.34 C ATOM 232 O GLY A 15 11.750 -5.752 -12.341 1.00 14.14 O ATOM 0 H GLY A 15 9.858 -2.971 -13.179 1.00 20.21 H new ATOM 0 HA2 GLY A 15 9.870 -5.651 -13.994 1.00 53.10 H new ATOM 0 HA3 GLY A 15 10.903 -4.768 -15.101 1.00 53.10 H new ATOM 236 N THR A 16 12.374 -3.702 -13.027 1.00 42.13 N ATOM 237 CA THR A 16 13.485 -3.607 -12.089 1.00 1.42 C ATOM 238 C THR A 16 13.031 -3.911 -10.666 1.00 15.10 C ATOM 239 O THR A 16 13.373 -4.951 -10.104 1.00 52.11 O ATOM 240 CB THR A 16 14.130 -2.208 -12.122 1.00 13.05 C ATOM 241 OG1 THR A 16 14.601 -1.917 -13.442 1.00 4.32 O ATOM 242 CG2 THR A 16 15.284 -2.121 -11.134 1.00 51.25 C ATOM 0 H THR A 16 12.257 -2.885 -13.627 1.00 42.13 H new ATOM 0 HA THR A 16 14.223 -4.347 -12.398 1.00 1.42 H new ATOM 0 HB THR A 16 13.374 -1.476 -11.838 1.00 13.05 H new ATOM 0 HG1 THR A 16 15.008 -1.026 -13.455 1.00 4.32 H new ATOM 0 HG21 THR A 16 15.724 -1.124 -11.175 1.00 51.25 H new ATOM 0 HG22 THR A 16 14.916 -2.314 -10.126 1.00 51.25 H new ATOM 0 HG23 THR A 16 16.040 -2.862 -11.392 1.00 51.25 H new ATOM 250 N ALA A 17 12.257 -2.997 -10.089 1.00 31.43 N ATOM 251 CA ALA A 17 11.753 -3.170 -8.732 1.00 21.21 C ATOM 252 C ALA A 17 11.075 -4.526 -8.567 1.00 14.24 C ATOM 253 O ALA A 17 11.301 -5.228 -7.581 1.00 2.21 O ATOM 254 CB ALA A 17 10.787 -2.048 -8.381 1.00 24.14 C ATOM 0 H ALA A 17 11.966 -2.130 -10.540 1.00 31.43 H new ATOM 0 HA ALA A 17 12.601 -3.132 -8.048 1.00 21.21 H new ATOM 0 HB1 ALA A 17 10.418 -2.190 -7.365 1.00 24.14 H new ATOM 0 HB2 ALA A 17 11.302 -1.090 -8.450 1.00 24.14 H new ATOM 0 HB3 ALA A 17 9.948 -2.060 -9.076 1.00 24.14 H new ATOM 260 N ARG A 18 10.241 -4.887 -9.537 1.00 24.53 N ATOM 261 CA ARG A 18 9.528 -6.159 -9.497 1.00 44.50 C ATOM 262 C ARG A 18 10.496 -7.318 -9.279 1.00 60.10 C ATOM 263 O ARG A 18 10.249 -8.201 -8.457 1.00 60.25 O ATOM 264 CB ARG A 18 8.747 -6.370 -10.795 1.00 13.21 C ATOM 265 CG ARG A 18 7.403 -7.050 -10.593 1.00 34.15 C ATOM 266 CD ARG A 18 6.298 -6.036 -10.340 1.00 75.44 C ATOM 267 NE ARG A 18 5.535 -5.745 -11.552 1.00 22.24 N ATOM 268 CZ ARG A 18 4.310 -5.231 -11.543 1.00 64.13 C ATOM 269 NH1 ARG A 18 3.713 -4.953 -10.393 1.00 55.31 N ATOM 270 NH2 ARG A 18 3.681 -4.994 -12.687 1.00 62.12 N ATOM 0 H ARG A 18 10.042 -4.317 -10.360 1.00 24.53 H new ATOM 0 HA ARG A 18 8.829 -6.130 -8.661 1.00 44.50 H new ATOM 0 HB2 ARG A 18 8.588 -5.404 -11.274 1.00 13.21 H new ATOM 0 HB3 ARG A 18 9.349 -6.969 -11.478 1.00 13.21 H new ATOM 0 HG2 ARG A 18 7.159 -7.644 -11.474 1.00 34.15 H new ATOM 0 HG3 ARG A 18 7.466 -7.739 -9.751 1.00 34.15 H new ATOM 0 HD2 ARG A 18 5.626 -6.416 -9.571 1.00 75.44 H new ATOM 0 HD3 ARG A 18 6.733 -5.114 -9.955 1.00 75.44 H new ATOM 0 HE ARG A 18 5.966 -5.948 -12.454 1.00 22.24 H new ATOM 0 HH11 ARG A 18 4.194 -5.134 -9.512 1.00 55.31 H new ATOM 0 HH12 ARG A 18 2.772 -4.558 -10.389 1.00 55.31 H new ATOM 0 HH21 ARG A 18 4.138 -5.206 -13.574 1.00 62.12 H new ATOM 0 HH22 ARG A 18 2.740 -4.599 -12.680 1.00 62.12 H new ATOM 284 N LYS A 19 11.598 -7.309 -10.021 1.00 24.34 N ATOM 285 CA LYS A 19 12.605 -8.359 -9.909 1.00 55.32 C ATOM 286 C LYS A 19 13.191 -8.403 -8.502 1.00 1.12 C ATOM 287 O LYS A 19 13.695 -9.436 -8.060 1.00 65.45 O ATOM 288 CB LYS A 19 13.721 -8.134 -10.932 1.00 31.24 C ATOM 289 CG LYS A 19 13.282 -8.354 -12.369 1.00 44.01 C ATOM 290 CD LYS A 19 14.149 -7.572 -13.342 1.00 72.11 C ATOM 291 CE LYS A 19 13.825 -7.926 -14.785 1.00 72.14 C ATOM 292 NZ LYS A 19 14.547 -7.048 -15.747 1.00 62.44 N ATOM 0 H LYS A 19 11.817 -6.586 -10.707 1.00 24.34 H new ATOM 0 HA LYS A 19 12.122 -9.315 -10.112 1.00 55.32 H new ATOM 0 HB2 LYS A 19 14.098 -7.117 -10.828 1.00 31.24 H new ATOM 0 HB3 LYS A 19 14.549 -8.806 -10.707 1.00 31.24 H new ATOM 0 HG2 LYS A 19 13.333 -9.416 -12.608 1.00 44.01 H new ATOM 0 HG3 LYS A 19 12.241 -8.051 -12.483 1.00 44.01 H new ATOM 0 HD2 LYS A 19 14.000 -6.504 -13.186 1.00 72.11 H new ATOM 0 HD3 LYS A 19 15.200 -7.780 -13.142 1.00 72.11 H new ATOM 0 HE2 LYS A 19 14.091 -8.966 -14.972 1.00 72.14 H new ATOM 0 HE3 LYS A 19 12.751 -7.838 -14.948 1.00 72.14 H new ATOM 0 HZ1 LYS A 19 14.299 -7.321 -16.719 1.00 62.44 H new ATOM 0 HZ2 LYS A 19 14.274 -6.058 -15.585 1.00 62.44 H new ATOM 0 HZ3 LYS A 19 15.573 -7.151 -15.609 1.00 62.44 H new ATOM 306 N LEU A 20 13.121 -7.277 -7.801 1.00 14.41 N ATOM 307 CA LEU A 20 13.643 -7.187 -6.442 1.00 24.21 C ATOM 308 C LEU A 20 12.598 -7.637 -5.426 1.00 4.22 C ATOM 309 O LEU A 20 12.879 -8.460 -4.553 1.00 41.42 O ATOM 310 CB LEU A 20 14.084 -5.754 -6.137 1.00 61.43 C ATOM 311 CG LEU A 20 15.476 -5.361 -6.632 1.00 44.11 C ATOM 312 CD1 LEU A 20 15.763 -3.902 -6.314 1.00 3.31 C ATOM 313 CD2 LEU A 20 16.536 -6.262 -6.015 1.00 2.42 C ATOM 0 H LEU A 20 12.708 -6.413 -8.152 1.00 14.41 H new ATOM 0 HA LEU A 20 14.505 -7.849 -6.366 1.00 24.21 H new ATOM 0 HB2 LEU A 20 13.358 -5.070 -6.576 1.00 61.43 H new ATOM 0 HB3 LEU A 20 14.049 -5.606 -5.058 1.00 61.43 H new ATOM 0 HG LEU A 20 15.505 -5.488 -7.714 1.00 44.11 H new ATOM 0 HD11 LEU A 20 16.758 -3.640 -6.674 1.00 3.31 H new ATOM 0 HD12 LEU A 20 15.022 -3.270 -6.804 1.00 3.31 H new ATOM 0 HD13 LEU A 20 15.715 -3.748 -5.236 1.00 3.31 H new ATOM 0 HD21 LEU A 20 17.520 -5.968 -6.379 1.00 2.42 H new ATOM 0 HD22 LEU A 20 16.507 -6.167 -4.930 1.00 2.42 H new ATOM 0 HD23 LEU A 20 16.341 -7.297 -6.294 1.00 2.42 H new ATOM 325 N LEU A 21 11.392 -7.094 -5.546 1.00 1.31 N ATOM 326 CA LEU A 21 10.303 -7.440 -4.639 1.00 62.52 C ATOM 327 C LEU A 21 9.995 -8.933 -4.704 1.00 52.12 C ATOM 328 O LEU A 21 9.395 -9.494 -3.787 1.00 2.42 O ATOM 329 CB LEU A 21 9.050 -6.634 -4.984 1.00 10.35 C ATOM 330 CG LEU A 21 8.266 -6.073 -3.797 1.00 13.13 C ATOM 331 CD1 LEU A 21 6.972 -5.427 -4.269 1.00 23.01 C ATOM 332 CD2 LEU A 21 7.977 -7.170 -2.782 1.00 52.32 C ATOM 0 H LEU A 21 11.143 -6.412 -6.263 1.00 1.31 H new ATOM 0 HA LEU A 21 10.616 -7.196 -3.624 1.00 62.52 H new ATOM 0 HB2 LEU A 21 9.342 -5.803 -5.626 1.00 10.35 H new ATOM 0 HB3 LEU A 21 8.383 -7.269 -5.567 1.00 10.35 H new ATOM 0 HG LEU A 21 8.874 -5.309 -3.313 1.00 13.13 H new ATOM 0 HD11 LEU A 21 6.428 -5.034 -3.411 1.00 23.01 H new ATOM 0 HD12 LEU A 21 7.201 -4.613 -4.957 1.00 23.01 H new ATOM 0 HD13 LEU A 21 6.359 -6.171 -4.778 1.00 23.01 H new ATOM 0 HD21 LEU A 21 7.418 -6.753 -1.944 1.00 52.32 H new ATOM 0 HD22 LEU A 21 7.389 -7.957 -3.254 1.00 52.32 H new ATOM 0 HD23 LEU A 21 8.917 -7.587 -2.420 1.00 52.32 H new ATOM 344 N ASP A 22 10.410 -9.571 -5.793 1.00 4.40 N ATOM 345 CA ASP A 22 10.182 -10.999 -5.977 1.00 33.15 C ATOM 346 C ASP A 22 11.433 -11.799 -5.629 1.00 3.13 C ATOM 347 O ASP A 22 11.438 -13.027 -5.704 1.00 33.21 O ATOM 348 CB ASP A 22 9.760 -11.289 -7.418 1.00 44.20 C ATOM 349 CG ASP A 22 8.857 -12.502 -7.525 1.00 3.24 C ATOM 350 OD1 ASP A 22 7.745 -12.464 -6.959 1.00 31.22 O ATOM 351 OD2 ASP A 22 9.263 -13.489 -8.173 1.00 62.02 O ATOM 0 H ASP A 22 10.906 -9.121 -6.562 1.00 4.40 H new ATOM 0 HA ASP A 22 9.380 -11.303 -5.304 1.00 33.15 H new ATOM 0 HB2 ASP A 22 9.244 -10.419 -7.824 1.00 44.20 H new ATOM 0 HB3 ASP A 22 10.649 -11.447 -8.029 1.00 44.20 H new ATOM 356 N ALA A 23 12.494 -11.093 -5.249 1.00 34.40 N ATOM 357 CA ALA A 23 13.751 -11.737 -4.889 1.00 33.51 C ATOM 358 C ALA A 23 14.114 -11.458 -3.434 1.00 75.43 C ATOM 359 O ALA A 23 14.961 -12.137 -2.854 1.00 33.40 O ATOM 360 CB ALA A 23 14.866 -11.271 -5.812 1.00 43.41 C ATOM 0 H ALA A 23 12.507 -10.075 -5.183 1.00 34.40 H new ATOM 0 HA ALA A 23 13.625 -12.814 -5.005 1.00 33.51 H new ATOM 0 HB1 ALA A 23 15.799 -11.760 -5.531 1.00 43.41 H new ATOM 0 HB2 ALA A 23 14.617 -11.528 -6.842 1.00 43.41 H new ATOM 0 HB3 ALA A 23 14.982 -10.191 -5.725 1.00 43.41 H new ATOM 366 N VAL A 24 13.467 -10.454 -2.850 1.00 65.22 N ATOM 367 CA VAL A 24 13.722 -10.085 -1.463 1.00 21.43 C ATOM 368 C VAL A 24 12.830 -10.875 -0.512 1.00 15.23 C ATOM 369 O VAL A 24 13.216 -11.168 0.619 1.00 24.21 O ATOM 370 CB VAL A 24 13.495 -8.580 -1.231 1.00 41.34 C ATOM 371 CG1 VAL A 24 14.520 -7.761 -2.001 1.00 40.41 C ATOM 372 CG2 VAL A 24 12.080 -8.187 -1.629 1.00 20.44 C ATOM 0 H VAL A 24 12.763 -9.882 -3.316 1.00 65.22 H new ATOM 0 HA VAL A 24 14.766 -10.322 -1.259 1.00 21.43 H new ATOM 0 HB VAL A 24 13.621 -8.371 -0.169 1.00 41.34 H new ATOM 0 HG11 VAL A 24 14.344 -6.700 -1.825 1.00 40.41 H new ATOM 0 HG12 VAL A 24 15.523 -8.023 -1.664 1.00 40.41 H new ATOM 0 HG13 VAL A 24 14.428 -7.972 -3.066 1.00 40.41 H new ATOM 0 HG21 VAL A 24 11.937 -7.120 -1.458 1.00 20.44 H new ATOM 0 HG22 VAL A 24 11.924 -8.410 -2.684 1.00 20.44 H new ATOM 0 HG23 VAL A 24 11.364 -8.749 -1.030 1.00 20.44 H new ATOM 382 N ALA A 25 11.633 -11.216 -0.978 1.00 71.23 N ATOM 383 CA ALA A 25 10.686 -11.974 -0.170 1.00 74.13 C ATOM 384 C ALA A 25 11.304 -13.278 0.322 1.00 60.34 C ATOM 385 O ALA A 25 10.885 -13.830 1.339 1.00 4.34 O ATOM 386 CB ALA A 25 9.420 -12.255 -0.966 1.00 74.11 C ATOM 0 H ALA A 25 11.296 -10.979 -1.911 1.00 71.23 H new ATOM 0 HA ALA A 25 10.428 -11.373 0.702 1.00 74.13 H new ATOM 0 HB1 ALA A 25 8.721 -12.822 -0.350 1.00 74.11 H new ATOM 0 HB2 ALA A 25 8.960 -11.312 -1.263 1.00 74.11 H new ATOM 0 HB3 ALA A 25 9.670 -12.832 -1.856 1.00 74.11 H new ATOM 392 N SER A 26 12.302 -13.767 -0.408 1.00 10.21 N ATOM 393 CA SER A 26 12.975 -15.009 -0.048 1.00 21.31 C ATOM 394 C SER A 26 13.895 -14.801 1.152 1.00 73.14 C ATOM 395 O SER A 26 14.179 -15.735 1.900 1.00 62.44 O ATOM 396 CB SER A 26 13.780 -15.541 -1.236 1.00 14.15 C ATOM 397 OG SER A 26 13.880 -16.954 -1.192 1.00 54.23 O ATOM 0 H SER A 26 12.662 -13.322 -1.252 1.00 10.21 H new ATOM 0 HA SER A 26 12.213 -15.740 0.223 1.00 21.31 H new ATOM 0 HB2 SER A 26 13.304 -15.236 -2.168 1.00 14.15 H new ATOM 0 HB3 SER A 26 14.778 -15.102 -1.229 1.00 14.15 H new ATOM 0 HG SER A 26 14.397 -17.269 -1.962 1.00 54.23 H new ATOM 403 N GLY A 27 14.357 -13.567 1.328 1.00 51.21 N ATOM 404 CA GLY A 27 15.240 -13.257 2.437 1.00 14.23 C ATOM 405 C GLY A 27 16.206 -12.135 2.113 1.00 1.11 C ATOM 406 O GLY A 27 17.351 -12.383 1.736 1.00 1.43 O ATOM 0 H GLY A 27 14.136 -12.777 0.722 1.00 51.21 H new ATOM 0 HA2 GLY A 27 14.643 -12.979 3.306 1.00 14.23 H new ATOM 0 HA3 GLY A 27 15.803 -14.150 2.710 1.00 14.23 H new ATOM 410 N ALA A 28 15.744 -10.897 2.258 1.00 31.42 N ATOM 411 CA ALA A 28 16.576 -9.734 1.978 1.00 13.54 C ATOM 412 C ALA A 28 16.242 -8.581 2.920 1.00 70.23 C ATOM 413 O ALA A 28 15.138 -8.039 2.885 1.00 54.51 O ATOM 414 CB ALA A 28 16.407 -9.300 0.530 1.00 73.03 C ATOM 0 H ALA A 28 14.798 -10.674 2.568 1.00 31.42 H new ATOM 0 HA ALA A 28 17.616 -10.014 2.143 1.00 13.54 H new ATOM 0 HB1 ALA A 28 17.034 -8.430 0.335 1.00 73.03 H new ATOM 0 HB2 ALA A 28 16.702 -10.115 -0.131 1.00 73.03 H new ATOM 0 HB3 ALA A 28 15.364 -9.043 0.347 1.00 73.03 H new ATOM 420 N SER A 29 17.203 -8.213 3.761 1.00 41.23 N ATOM 421 CA SER A 29 17.009 -7.127 4.715 1.00 22.51 C ATOM 422 C SER A 29 17.901 -5.938 4.373 1.00 2.24 C ATOM 423 O SER A 29 18.286 -5.163 5.250 1.00 25.54 O ATOM 424 CB SER A 29 17.306 -7.610 6.136 1.00 21.41 C ATOM 425 OG SER A 29 16.214 -8.343 6.664 1.00 22.32 O ATOM 0 H SER A 29 18.123 -8.651 3.801 1.00 41.23 H new ATOM 0 HA SER A 29 15.969 -6.807 4.657 1.00 22.51 H new ATOM 0 HB2 SER A 29 18.199 -8.235 6.132 1.00 21.41 H new ATOM 0 HB3 SER A 29 17.518 -6.755 6.777 1.00 21.41 H new ATOM 0 HG SER A 29 16.429 -8.642 7.572 1.00 22.32 H new ATOM 431 N LEU A 30 18.226 -5.799 3.093 1.00 50.22 N ATOM 432 CA LEU A 30 19.073 -4.704 2.633 1.00 51.42 C ATOM 433 C LEU A 30 18.544 -3.361 3.128 1.00 22.32 C ATOM 434 O LEU A 30 17.335 -3.155 3.220 1.00 11.34 O ATOM 435 CB LEU A 30 19.152 -4.701 1.105 1.00 22.12 C ATOM 436 CG LEU A 30 20.512 -5.057 0.503 1.00 31.21 C ATOM 437 CD1 LEU A 30 21.602 -4.172 1.086 1.00 42.51 C ATOM 438 CD2 LEU A 30 20.832 -6.526 0.740 1.00 11.10 C ATOM 0 H LEU A 30 17.916 -6.431 2.355 1.00 50.22 H new ATOM 0 HA LEU A 30 20.072 -4.854 3.042 1.00 51.42 H new ATOM 0 HB2 LEU A 30 18.412 -5.403 0.721 1.00 22.12 H new ATOM 0 HB3 LEU A 30 18.867 -3.711 0.748 1.00 22.12 H new ATOM 0 HG LEU A 30 20.468 -4.884 -0.572 1.00 31.21 H new ATOM 0 HD11 LEU A 30 22.562 -4.440 0.646 1.00 42.51 H new ATOM 0 HD12 LEU A 30 21.380 -3.128 0.865 1.00 42.51 H new ATOM 0 HD13 LEU A 30 21.646 -4.313 2.166 1.00 42.51 H new ATOM 0 HD21 LEU A 30 21.803 -6.762 0.305 1.00 11.10 H new ATOM 0 HD22 LEU A 30 20.856 -6.725 1.811 1.00 11.10 H new ATOM 0 HD23 LEU A 30 20.066 -7.145 0.274 1.00 11.10 H new ATOM 450 N GLY A 31 19.460 -2.450 3.444 1.00 32.42 N ATOM 451 CA GLY A 31 19.066 -1.139 3.924 1.00 3.51 C ATOM 452 C GLY A 31 19.595 -0.019 3.050 1.00 52.22 C ATOM 453 O GLY A 31 19.018 1.069 3.003 1.00 24.43 O ATOM 0 H GLY A 31 20.467 -2.597 3.376 1.00 32.42 H new ATOM 0 HA2 GLY A 31 17.978 -1.082 3.964 1.00 3.51 H new ATOM 0 HA3 GLY A 31 19.430 -1.004 4.943 1.00 3.51 H new ATOM 457 N THR A 32 20.697 -0.283 2.355 1.00 51.44 N ATOM 458 CA THR A 32 21.305 0.712 1.480 1.00 63.11 C ATOM 459 C THR A 32 20.864 0.516 0.034 1.00 64.51 C ATOM 460 O THR A 32 20.549 1.478 -0.665 1.00 13.13 O ATOM 461 CB THR A 32 22.843 0.655 1.548 1.00 20.51 C ATOM 462 OG1 THR A 32 23.262 0.289 2.868 1.00 74.53 O ATOM 463 CG2 THR A 32 23.452 1.997 1.171 1.00 32.25 C ATOM 0 H THR A 32 21.187 -1.177 2.381 1.00 51.44 H new ATOM 0 HA THR A 32 20.969 1.688 1.830 1.00 63.11 H new ATOM 0 HB THR A 32 23.188 -0.095 0.837 1.00 20.51 H new ATOM 0 HG1 THR A 32 24.241 0.253 2.902 1.00 74.53 H new ATOM 0 HG21 THR A 32 24.539 1.932 1.226 1.00 32.25 H new ATOM 0 HG22 THR A 32 23.155 2.259 0.155 1.00 32.25 H new ATOM 0 HG23 THR A 32 23.099 2.763 1.861 1.00 32.25 H new ATOM 471 N ALA A 33 20.845 -0.737 -0.409 1.00 35.42 N ATOM 472 CA ALA A 33 20.439 -1.060 -1.771 1.00 44.34 C ATOM 473 C ALA A 33 18.979 -0.692 -2.012 1.00 1.35 C ATOM 474 O ALA A 33 18.607 -0.270 -3.107 1.00 11.44 O ATOM 475 CB ALA A 33 20.667 -2.537 -2.054 1.00 34.41 C ATOM 0 H ALA A 33 21.106 -1.545 0.156 1.00 35.42 H new ATOM 0 HA ALA A 33 21.051 -0.472 -2.454 1.00 44.34 H new ATOM 0 HB1 ALA A 33 20.359 -2.764 -3.075 1.00 34.41 H new ATOM 0 HB2 ALA A 33 21.725 -2.772 -1.933 1.00 34.41 H new ATOM 0 HB3 ALA A 33 20.081 -3.136 -1.357 1.00 34.41 H new ATOM 481 N PHE A 34 18.156 -0.855 -0.981 1.00 55.15 N ATOM 482 CA PHE A 34 16.735 -0.541 -1.081 1.00 71.34 C ATOM 483 C PHE A 34 16.521 0.957 -1.275 1.00 40.11 C ATOM 484 O PHE A 34 15.532 1.382 -1.871 1.00 73.42 O ATOM 485 CB PHE A 34 15.997 -1.015 0.172 1.00 31.33 C ATOM 486 CG PHE A 34 14.536 -1.278 -0.055 1.00 54.54 C ATOM 487 CD1 PHE A 34 14.122 -2.155 -1.044 1.00 73.43 C ATOM 488 CD2 PHE A 34 13.576 -0.647 0.720 1.00 51.44 C ATOM 489 CE1 PHE A 34 12.778 -2.398 -1.256 1.00 54.34 C ATOM 490 CE2 PHE A 34 12.230 -0.885 0.512 1.00 23.34 C ATOM 491 CZ PHE A 34 11.831 -1.763 -0.476 1.00 51.13 C ATOM 0 H PHE A 34 18.448 -1.202 -0.068 1.00 55.15 H new ATOM 0 HA PHE A 34 16.334 -1.063 -1.950 1.00 71.34 H new ATOM 0 HB2 PHE A 34 16.469 -1.926 0.539 1.00 31.33 H new ATOM 0 HB3 PHE A 34 16.105 -0.263 0.954 1.00 31.33 H new ATOM 0 HD1 PHE A 34 14.858 -2.655 -1.657 1.00 73.43 H new ATOM 0 HD2 PHE A 34 13.883 0.039 1.496 1.00 51.44 H new ATOM 0 HE1 PHE A 34 12.468 -3.084 -2.031 1.00 54.34 H new ATOM 0 HE2 PHE A 34 11.492 -0.385 1.121 1.00 23.34 H new ATOM 0 HZ PHE A 34 10.780 -1.953 -0.639 1.00 51.13 H new ATOM 501 N ALA A 35 17.456 1.753 -0.766 1.00 60.23 N ATOM 502 CA ALA A 35 17.372 3.203 -0.884 1.00 54.21 C ATOM 503 C ALA A 35 17.805 3.668 -2.270 1.00 60.44 C ATOM 504 O ALA A 35 17.452 4.763 -2.707 1.00 22.31 O ATOM 505 CB ALA A 35 18.221 3.870 0.188 1.00 41.04 C ATOM 0 H ALA A 35 18.280 1.418 -0.268 1.00 60.23 H new ATOM 0 HA ALA A 35 16.331 3.494 -0.741 1.00 54.21 H new ATOM 0 HB1 ALA A 35 18.149 4.953 0.088 1.00 41.04 H new ATOM 0 HB2 ALA A 35 17.863 3.572 1.173 1.00 41.04 H new ATOM 0 HB3 ALA A 35 19.261 3.563 0.072 1.00 41.04 H new ATOM 511 N ALA A 36 18.572 2.828 -2.958 1.00 25.15 N ATOM 512 CA ALA A 36 19.053 3.152 -4.295 1.00 12.31 C ATOM 513 C ALA A 36 17.969 2.914 -5.340 1.00 54.44 C ATOM 514 O ALA A 36 18.074 3.382 -6.475 1.00 31.13 O ATOM 515 CB ALA A 36 20.293 2.335 -4.623 1.00 24.31 C ATOM 0 H ALA A 36 18.873 1.918 -2.611 1.00 25.15 H new ATOM 0 HA ALA A 36 19.314 4.210 -4.314 1.00 12.31 H new ATOM 0 HB1 ALA A 36 20.641 2.588 -5.625 1.00 24.31 H new ATOM 0 HB2 ALA A 36 21.077 2.558 -3.900 1.00 24.31 H new ATOM 0 HB3 ALA A 36 20.051 1.273 -4.580 1.00 24.31 H new ATOM 521 N ILE A 37 16.928 2.185 -4.952 1.00 23.23 N ATOM 522 CA ILE A 37 15.825 1.886 -5.856 1.00 60.21 C ATOM 523 C ILE A 37 14.593 2.717 -5.514 1.00 30.43 C ATOM 524 O ILE A 37 13.775 3.022 -6.383 1.00 4.11 O ATOM 525 CB ILE A 37 15.451 0.392 -5.814 1.00 3.33 C ATOM 526 CG1 ILE A 37 15.189 -0.049 -4.372 1.00 63.54 C ATOM 527 CG2 ILE A 37 16.555 -0.448 -6.439 1.00 10.23 C ATOM 528 CD1 ILE A 37 14.561 -1.421 -4.266 1.00 35.13 C ATOM 0 H ILE A 37 16.826 1.790 -4.017 1.00 23.23 H new ATOM 0 HA ILE A 37 16.163 2.139 -6.861 1.00 60.21 H new ATOM 0 HB ILE A 37 14.538 0.244 -6.391 1.00 3.33 H new ATOM 0 HG12 ILE A 37 16.130 -0.045 -3.823 1.00 63.54 H new ATOM 0 HG13 ILE A 37 14.536 0.679 -3.891 1.00 63.54 H new ATOM 0 HG21 ILE A 37 16.276 -1.501 -6.402 1.00 10.23 H new ATOM 0 HG22 ILE A 37 16.698 -0.147 -7.477 1.00 10.23 H new ATOM 0 HG23 ILE A 37 17.483 -0.299 -5.887 1.00 10.23 H new ATOM 0 HD11 ILE A 37 14.404 -1.669 -3.216 1.00 35.13 H new ATOM 0 HD12 ILE A 37 13.604 -1.424 -4.787 1.00 35.13 H new ATOM 0 HD13 ILE A 37 15.223 -2.160 -4.718 1.00 35.13 H new ATOM 540 N LEU A 38 14.467 3.081 -4.243 1.00 34.15 N ATOM 541 CA LEU A 38 13.335 3.879 -3.784 1.00 53.03 C ATOM 542 C LEU A 38 13.711 5.354 -3.692 1.00 13.43 C ATOM 543 O LEU A 38 12.991 6.152 -3.093 1.00 1.53 O ATOM 544 CB LEU A 38 12.850 3.378 -2.423 1.00 2.04 C ATOM 545 CG LEU A 38 11.661 2.417 -2.445 1.00 52.33 C ATOM 546 CD1 LEU A 38 12.110 1.021 -2.847 1.00 41.14 C ATOM 547 CD2 LEU A 38 10.973 2.388 -1.088 1.00 71.02 C ATOM 0 H LEU A 38 15.135 2.836 -3.512 1.00 34.15 H new ATOM 0 HA LEU A 38 12.529 3.773 -4.510 1.00 53.03 H new ATOM 0 HB2 LEU A 38 13.682 2.883 -1.923 1.00 2.04 H new ATOM 0 HB3 LEU A 38 12.582 4.242 -1.815 1.00 2.04 H new ATOM 0 HG LEU A 38 10.945 2.773 -3.185 1.00 52.33 H new ATOM 0 HD11 LEU A 38 11.250 0.351 -2.857 1.00 41.14 H new ATOM 0 HD12 LEU A 38 12.556 1.054 -3.841 1.00 41.14 H new ATOM 0 HD13 LEU A 38 12.846 0.655 -2.131 1.00 41.14 H new ATOM 0 HD21 LEU A 38 10.129 1.699 -1.123 1.00 71.02 H new ATOM 0 HD22 LEU A 38 11.681 2.057 -0.328 1.00 71.02 H new ATOM 0 HD23 LEU A 38 10.615 3.387 -0.840 1.00 71.02 H new ATOM 559 N GLY A 39 14.843 5.710 -4.291 1.00 51.23 N ATOM 560 CA GLY A 39 15.294 7.089 -4.267 1.00 13.54 C ATOM 561 C GLY A 39 15.128 7.778 -5.607 1.00 33.22 C ATOM 562 O GLY A 39 15.220 9.002 -5.700 1.00 63.21 O ATOM 0 H GLY A 39 15.456 5.068 -4.793 1.00 51.23 H new ATOM 0 HA2 GLY A 39 14.735 7.637 -3.509 1.00 13.54 H new ATOM 0 HA3 GLY A 39 16.343 7.120 -3.974 1.00 13.54 H new ATOM 566 N VAL A 40 14.883 6.990 -6.649 1.00 21.41 N ATOM 567 CA VAL A 40 14.705 7.530 -7.991 1.00 55.32 C ATOM 568 C VAL A 40 13.356 8.229 -8.127 1.00 64.13 C ATOM 569 O VAL A 40 13.211 9.178 -8.899 1.00 32.04 O ATOM 570 CB VAL A 40 14.808 6.426 -9.060 1.00 22.34 C ATOM 571 CG1 VAL A 40 13.840 5.293 -8.753 1.00 11.41 C ATOM 572 CG2 VAL A 40 14.550 6.999 -10.445 1.00 34.13 C ATOM 0 H VAL A 40 14.803 5.975 -6.589 1.00 21.41 H new ATOM 0 HA VAL A 40 15.505 8.254 -8.149 1.00 55.32 H new ATOM 0 HB VAL A 40 15.820 6.021 -9.043 1.00 22.34 H new ATOM 0 HG11 VAL A 40 13.927 4.522 -9.519 1.00 11.41 H new ATOM 0 HG12 VAL A 40 14.078 4.865 -7.779 1.00 11.41 H new ATOM 0 HG13 VAL A 40 12.821 5.679 -8.741 1.00 11.41 H new ATOM 0 HG21 VAL A 40 14.627 6.205 -11.187 1.00 34.13 H new ATOM 0 HG22 VAL A 40 13.550 7.432 -10.479 1.00 34.13 H new ATOM 0 HG23 VAL A 40 15.288 7.771 -10.662 1.00 34.13 H new ATOM 582 N THR A 41 12.371 7.754 -7.372 1.00 73.32 N ATOM 583 CA THR A 41 11.033 8.332 -7.408 1.00 63.24 C ATOM 584 C THR A 41 10.415 8.375 -6.016 1.00 2.33 C ATOM 585 O THR A 41 9.779 9.360 -5.638 1.00 4.31 O ATOM 586 CB THR A 41 10.104 7.538 -8.346 1.00 14.42 C ATOM 587 OG1 THR A 41 8.753 7.989 -8.192 1.00 70.25 O ATOM 588 CG2 THR A 41 10.183 6.048 -8.052 1.00 71.11 C ATOM 0 H THR A 41 12.474 6.970 -6.728 1.00 73.32 H new ATOM 0 HA THR A 41 11.138 9.349 -7.787 1.00 63.24 H new ATOM 0 HB THR A 41 10.429 7.707 -9.373 1.00 14.42 H new ATOM 0 HG1 THR A 41 8.168 7.481 -8.792 1.00 70.25 H new ATOM 0 HG21 THR A 41 9.519 5.508 -8.727 1.00 71.11 H new ATOM 0 HG22 THR A 41 11.206 5.702 -8.197 1.00 71.11 H new ATOM 0 HG23 THR A 41 9.881 5.864 -7.021 1.00 71.11 H new ATOM 596 N LEU A 42 10.606 7.303 -5.255 1.00 72.13 N ATOM 597 CA LEU A 42 10.067 7.219 -3.902 1.00 62.22 C ATOM 598 C LEU A 42 10.836 8.132 -2.952 1.00 53.04 C ATOM 599 O LEU A 42 11.965 8.541 -3.223 1.00 60.12 O ATOM 600 CB LEU A 42 10.124 5.776 -3.398 1.00 62.31 C ATOM 601 CG LEU A 42 8.906 4.907 -3.711 1.00 72.45 C ATOM 602 CD1 LEU A 42 9.127 4.120 -4.994 1.00 53.44 C ATOM 603 CD2 LEU A 42 8.609 3.967 -2.552 1.00 72.42 C ATOM 0 H LEU A 42 11.130 6.480 -5.552 1.00 72.13 H new ATOM 0 HA LEU A 42 9.028 7.547 -3.930 1.00 62.22 H new ATOM 0 HB2 LEU A 42 11.006 5.298 -3.825 1.00 62.31 H new ATOM 0 HB3 LEU A 42 10.263 5.795 -2.317 1.00 62.31 H new ATOM 0 HG LEU A 42 8.045 5.560 -3.853 1.00 72.45 H new ATOM 0 HD11 LEU A 42 8.250 3.507 -5.201 1.00 53.44 H new ATOM 0 HD12 LEU A 42 9.290 4.811 -5.821 1.00 53.44 H new ATOM 0 HD13 LEU A 42 10.000 3.477 -4.881 1.00 53.44 H new ATOM 0 HD21 LEU A 42 7.739 3.356 -2.793 1.00 72.42 H new ATOM 0 HD22 LEU A 42 9.469 3.321 -2.378 1.00 72.42 H new ATOM 0 HD23 LEU A 42 8.406 4.550 -1.654 1.00 72.42 H new ATOM 615 N PRO A 43 10.212 8.459 -1.811 1.00 32.20 N ATOM 616 CA PRO A 43 10.820 9.325 -0.796 1.00 73.34 C ATOM 617 C PRO A 43 11.985 8.650 -0.081 1.00 31.31 C ATOM 618 O PRO A 43 12.433 7.575 -0.481 1.00 14.52 O ATOM 619 CB PRO A 43 9.671 9.586 0.181 1.00 2.22 C ATOM 620 CG PRO A 43 8.764 8.416 0.021 1.00 34.31 C ATOM 621 CD PRO A 43 8.865 8.008 -1.423 1.00 31.44 C ATOM 0 HA PRO A 43 11.241 10.231 -1.232 1.00 73.34 H new ATOM 0 HB2 PRO A 43 10.034 9.668 1.206 1.00 2.22 H new ATOM 0 HB3 PRO A 43 9.158 10.519 -0.052 1.00 2.22 H new ATOM 0 HG2 PRO A 43 9.061 7.599 0.679 1.00 34.31 H new ATOM 0 HG3 PRO A 43 7.739 8.679 0.282 1.00 34.31 H new ATOM 0 HD2 PRO A 43 8.751 6.931 -1.545 1.00 31.44 H new ATOM 0 HD3 PRO A 43 8.093 8.481 -2.029 1.00 31.44 H new ATOM 629 N ALA A 44 12.471 9.287 0.979 1.00 23.43 N ATOM 630 CA ALA A 44 13.583 8.746 1.752 1.00 71.12 C ATOM 631 C ALA A 44 13.100 8.164 3.076 1.00 54.40 C ATOM 632 O ALA A 44 13.720 7.257 3.629 1.00 23.41 O ATOM 633 CB ALA A 44 14.629 9.823 1.997 1.00 52.43 C ATOM 0 H ALA A 44 12.113 10.178 1.322 1.00 23.43 H new ATOM 0 HA ALA A 44 14.036 7.940 1.175 1.00 71.12 H new ATOM 0 HB1 ALA A 44 15.453 9.405 2.575 1.00 52.43 H new ATOM 0 HB2 ALA A 44 15.005 10.189 1.042 1.00 52.43 H new ATOM 0 HB3 ALA A 44 14.179 10.648 2.550 1.00 52.43 H new ATOM 639 N TRP A 45 11.990 8.693 3.579 1.00 50.12 N ATOM 640 CA TRP A 45 11.424 8.226 4.839 1.00 2.15 C ATOM 641 C TRP A 45 10.876 6.810 4.699 1.00 53.53 C ATOM 642 O TRP A 45 10.870 6.039 5.658 1.00 52.24 O ATOM 643 CB TRP A 45 10.316 9.172 5.306 1.00 23.42 C ATOM 644 CG TRP A 45 9.122 9.180 4.401 1.00 33.51 C ATOM 645 CD1 TRP A 45 8.830 10.102 3.437 1.00 12.14 C ATOM 646 CD2 TRP A 45 8.058 8.221 4.377 1.00 4.11 C ATOM 647 NE1 TRP A 45 7.649 9.775 2.816 1.00 71.13 N ATOM 648 CE2 TRP A 45 7.156 8.625 3.373 1.00 23.32 C ATOM 649 CE3 TRP A 45 7.781 7.060 5.104 1.00 5.31 C ATOM 650 CZ2 TRP A 45 5.999 7.908 3.081 1.00 14.54 C ATOM 651 CZ3 TRP A 45 6.632 6.351 4.813 1.00 31.35 C ATOM 652 CH2 TRP A 45 5.752 6.776 3.809 1.00 64.10 C ATOM 0 H TRP A 45 11.465 9.445 3.134 1.00 50.12 H new ATOM 0 HA TRP A 45 12.220 8.215 5.584 1.00 2.15 H new ATOM 0 HB2 TRP A 45 10.001 8.884 6.309 1.00 23.42 H new ATOM 0 HB3 TRP A 45 10.717 10.183 5.376 1.00 23.42 H new ATOM 0 HD1 TRP A 45 9.438 10.962 3.198 1.00 12.14 H new ATOM 0 HE1 TRP A 45 7.210 10.303 2.062 1.00 71.13 H new ATOM 0 HE3 TRP A 45 8.453 6.723 5.879 1.00 5.31 H new ATOM 0 HZ2 TRP A 45 5.320 8.234 2.307 1.00 14.54 H new ATOM 0 HZ3 TRP A 45 6.408 5.453 5.369 1.00 31.35 H new ATOM 0 HH2 TRP A 45 4.862 6.199 3.606 1.00 64.10 H new ATOM 663 N ALA A 46 10.416 6.475 3.498 1.00 53.43 N ATOM 664 CA ALA A 46 9.867 5.151 3.232 1.00 42.31 C ATOM 665 C ALA A 46 10.874 4.060 3.579 1.00 2.13 C ATOM 666 O ALA A 46 10.499 2.921 3.861 1.00 13.30 O ATOM 667 CB ALA A 46 9.445 5.038 1.775 1.00 73.14 C ATOM 0 H ALA A 46 10.413 7.102 2.694 1.00 53.43 H new ATOM 0 HA ALA A 46 8.990 5.014 3.865 1.00 42.31 H new ATOM 0 HB1 ALA A 46 9.037 4.044 1.590 1.00 73.14 H new ATOM 0 HB2 ALA A 46 8.685 5.789 1.557 1.00 73.14 H new ATOM 0 HB3 ALA A 46 10.310 5.200 1.132 1.00 73.14 H new ATOM 673 N LEU A 47 12.154 4.414 3.557 1.00 43.23 N ATOM 674 CA LEU A 47 13.217 3.464 3.869 1.00 55.22 C ATOM 675 C LEU A 47 13.274 3.185 5.367 1.00 4.23 C ATOM 676 O LEU A 47 13.495 2.050 5.789 1.00 11.42 O ATOM 677 CB LEU A 47 14.565 4.000 3.386 1.00 43.32 C ATOM 678 CG LEU A 47 14.572 4.652 2.003 1.00 41.42 C ATOM 679 CD1 LEU A 47 15.885 5.381 1.763 1.00 50.52 C ATOM 680 CD2 LEU A 47 14.333 3.610 0.920 1.00 22.24 C ATOM 0 H LEU A 47 12.482 5.352 3.326 1.00 43.23 H new ATOM 0 HA LEU A 47 12.999 2.529 3.352 1.00 55.22 H new ATOM 0 HB2 LEU A 47 14.924 4.730 4.111 1.00 43.32 H new ATOM 0 HB3 LEU A 47 15.280 3.177 3.381 1.00 43.32 H new ATOM 0 HG LEU A 47 13.763 5.381 1.963 1.00 41.42 H new ATOM 0 HD11 LEU A 47 15.872 5.839 0.774 1.00 50.52 H new ATOM 0 HD12 LEU A 47 16.015 6.155 2.519 1.00 50.52 H new ATOM 0 HD13 LEU A 47 16.711 4.672 1.824 1.00 50.52 H new ATOM 0 HD21 LEU A 47 14.341 4.093 -0.057 1.00 22.24 H new ATOM 0 HD22 LEU A 47 15.120 2.857 0.960 1.00 22.24 H new ATOM 0 HD23 LEU A 47 13.366 3.133 1.081 1.00 22.24 H new ATOM 692 N ALA A 48 13.073 4.228 6.166 1.00 31.24 N ATOM 693 CA ALA A 48 13.098 4.094 7.618 1.00 51.14 C ATOM 694 C ALA A 48 11.835 3.408 8.128 1.00 63.35 C ATOM 695 O ALA A 48 11.835 2.805 9.200 1.00 24.14 O ATOM 696 CB ALA A 48 13.260 5.459 8.271 1.00 75.14 C ATOM 0 H ALA A 48 12.891 5.175 5.833 1.00 31.24 H new ATOM 0 HA ALA A 48 13.952 3.471 7.886 1.00 51.14 H new ATOM 0 HB1 ALA A 48 13.277 5.344 9.355 1.00 75.14 H new ATOM 0 HB2 ALA A 48 14.194 5.912 7.939 1.00 75.14 H new ATOM 0 HB3 ALA A 48 12.425 6.100 7.987 1.00 75.14 H new ATOM 702 N ALA A 49 10.761 3.504 7.352 1.00 55.22 N ATOM 703 CA ALA A 49 9.492 2.891 7.725 1.00 53.32 C ATOM 704 C ALA A 49 9.559 1.373 7.604 1.00 70.34 C ATOM 705 O ALA A 49 8.801 0.654 8.255 1.00 4.42 O ATOM 706 CB ALA A 49 8.366 3.442 6.862 1.00 12.24 C ATOM 0 H ALA A 49 10.744 4.000 6.461 1.00 55.22 H new ATOM 0 HA ALA A 49 9.290 3.137 8.767 1.00 53.32 H new ATOM 0 HB1 ALA A 49 7.424 2.976 7.151 1.00 12.24 H new ATOM 0 HB2 ALA A 49 8.295 4.521 7.002 1.00 12.24 H new ATOM 0 HB3 ALA A 49 8.571 3.225 5.814 1.00 12.24 H new ATOM 712 N ALA A 50 10.470 0.890 6.765 1.00 42.41 N ATOM 713 CA ALA A 50 10.637 -0.543 6.560 1.00 73.04 C ATOM 714 C ALA A 50 10.903 -1.259 7.879 1.00 20.32 C ATOM 715 O ALA A 50 10.622 -2.449 8.019 1.00 44.04 O ATOM 716 CB ALA A 50 11.767 -0.807 5.576 1.00 71.42 C ATOM 0 H ALA A 50 11.104 1.471 6.216 1.00 42.41 H new ATOM 0 HA ALA A 50 9.709 -0.936 6.145 1.00 73.04 H new ATOM 0 HB1 ALA A 50 11.881 -1.881 5.432 1.00 71.42 H new ATOM 0 HB2 ALA A 50 11.535 -0.336 4.621 1.00 71.42 H new ATOM 0 HB3 ALA A 50 12.696 -0.393 5.969 1.00 71.42 H new ATOM 722 N GLY A 51 11.447 -0.526 8.846 1.00 65.51 N ATOM 723 CA GLY A 51 11.743 -1.109 10.142 1.00 63.55 C ATOM 724 C GLY A 51 10.673 -0.807 11.171 1.00 21.05 C ATOM 725 O GLY A 51 10.556 -1.505 12.178 1.00 2.02 O ATOM 0 H GLY A 51 11.688 0.461 8.755 1.00 65.51 H new ATOM 0 HA2 GLY A 51 11.846 -2.189 10.036 1.00 63.55 H new ATOM 0 HA3 GLY A 51 12.701 -0.730 10.497 1.00 63.55 H new ATOM 729 N ALA A 52 9.891 0.238 10.920 1.00 33.53 N ATOM 730 CA ALA A 52 8.825 0.631 11.833 1.00 33.44 C ATOM 731 C ALA A 52 7.458 0.236 11.284 1.00 21.54 C ATOM 732 O ALA A 52 6.846 -0.727 11.749 1.00 55.02 O ATOM 733 CB ALA A 52 8.878 2.129 12.093 1.00 22.24 C ATOM 0 H ALA A 52 9.976 0.827 10.092 1.00 33.53 H new ATOM 0 HA ALA A 52 8.975 0.104 12.775 1.00 33.44 H new ATOM 0 HB1 ALA A 52 8.076 2.408 12.776 1.00 22.24 H new ATOM 0 HB2 ALA A 52 9.839 2.387 12.537 1.00 22.24 H new ATOM 0 HB3 ALA A 52 8.756 2.666 11.152 1.00 22.24 H new ATOM 739 N LEU A 53 6.985 0.984 10.294 1.00 14.13 N ATOM 740 CA LEU A 53 5.689 0.712 9.682 1.00 52.21 C ATOM 741 C LEU A 53 5.793 0.720 8.160 1.00 3.32 C ATOM 742 O LEU A 53 5.401 1.686 7.506 1.00 64.30 O ATOM 743 CB LEU A 53 4.659 1.747 10.139 1.00 23.03 C ATOM 744 CG LEU A 53 4.557 1.971 11.649 1.00 63.45 C ATOM 745 CD1 LEU A 53 3.751 3.225 11.949 1.00 20.51 C ATOM 746 CD2 LEU A 53 3.935 0.759 12.326 1.00 34.33 C ATOM 0 H LEU A 53 7.479 1.784 9.898 1.00 14.13 H new ATOM 0 HA LEU A 53 5.366 -0.279 10.001 1.00 52.21 H new ATOM 0 HB2 LEU A 53 4.896 2.700 9.666 1.00 23.03 H new ATOM 0 HB3 LEU A 53 3.679 1.443 9.770 1.00 23.03 H new ATOM 0 HG LEU A 53 5.563 2.108 12.046 1.00 63.45 H new ATOM 0 HD11 LEU A 53 3.689 3.368 13.028 1.00 20.51 H new ATOM 0 HD12 LEU A 53 4.239 4.088 11.496 1.00 20.51 H new ATOM 0 HD13 LEU A 53 2.747 3.119 11.539 1.00 20.51 H new ATOM 0 HD21 LEU A 53 3.870 0.935 13.400 1.00 34.33 H new ATOM 0 HD22 LEU A 53 2.936 0.591 11.925 1.00 34.33 H new ATOM 0 HD23 LEU A 53 4.553 -0.119 12.139 1.00 34.33 H new ATOM 758 N GLY A 54 6.323 -0.364 7.602 1.00 21.35 N ATOM 759 CA GLY A 54 6.467 -0.462 6.162 1.00 65.52 C ATOM 760 C GLY A 54 5.133 -0.453 5.443 1.00 12.24 C ATOM 761 O GLY A 54 4.079 -0.417 6.078 1.00 60.11 O ATOM 0 H GLY A 54 6.655 -1.176 8.122 1.00 21.35 H new ATOM 0 HA2 GLY A 54 7.075 0.369 5.804 1.00 65.52 H new ATOM 0 HA3 GLY A 54 7.003 -1.379 5.915 1.00 65.52 H new ATOM 765 N ALA A 55 5.177 -0.483 4.115 1.00 21.15 N ATOM 766 CA ALA A 55 3.962 -0.478 3.310 1.00 1.03 C ATOM 767 C ALA A 55 3.027 -1.610 3.720 1.00 31.54 C ATOM 768 O ALA A 55 3.241 -2.768 3.360 1.00 71.41 O ATOM 769 CB ALA A 55 4.308 -0.585 1.832 1.00 31.54 C ATOM 0 H ALA A 55 6.041 -0.511 3.574 1.00 21.15 H new ATOM 0 HA ALA A 55 3.445 0.466 3.483 1.00 1.03 H new ATOM 0 HB1 ALA A 55 3.391 -0.580 1.242 1.00 31.54 H new ATOM 0 HB2 ALA A 55 4.931 0.261 1.542 1.00 31.54 H new ATOM 0 HB3 ALA A 55 4.850 -1.513 1.652 1.00 31.54 H new ATOM 775 N THR A 56 1.989 -1.270 4.477 1.00 15.45 N ATOM 776 CA THR A 56 1.022 -2.258 4.938 1.00 14.14 C ATOM 777 C THR A 56 0.059 -2.648 3.822 1.00 5.12 C ATOM 778 O THR A 56 -1.148 -2.433 3.927 1.00 23.43 O ATOM 779 CB THR A 56 0.212 -1.734 6.139 1.00 14.31 C ATOM 780 OG1 THR A 56 -0.811 -2.673 6.488 1.00 74.34 O ATOM 781 CG2 THR A 56 -0.418 -0.386 5.820 1.00 21.04 C ATOM 0 H THR A 56 1.796 -0.317 4.784 1.00 15.45 H new ATOM 0 HA THR A 56 1.590 -3.135 5.247 1.00 14.14 H new ATOM 0 HB THR A 56 0.893 -1.610 6.981 1.00 14.31 H new ATOM 0 HG1 THR A 56 -1.359 -2.868 5.699 1.00 74.34 H new ATOM 0 HG21 THR A 56 -0.985 -0.036 6.683 1.00 21.04 H new ATOM 0 HG22 THR A 56 0.365 0.335 5.584 1.00 21.04 H new ATOM 0 HG23 THR A 56 -1.086 -0.490 4.965 1.00 21.04 H new ATOM 789 N ALA A 57 0.602 -3.223 2.754 1.00 51.43 N ATOM 790 CA ALA A 57 -0.210 -3.645 1.619 1.00 65.20 C ATOM 791 C ALA A 57 -0.868 -2.449 0.939 1.00 30.53 C ATOM 792 O ALA A 57 -1.907 -2.585 0.294 1.00 12.13 O ATOM 793 CB ALA A 57 -1.264 -4.646 2.068 1.00 62.32 C ATOM 0 H ALA A 57 1.600 -3.407 2.651 1.00 51.43 H new ATOM 0 HA ALA A 57 0.446 -4.126 0.893 1.00 65.20 H new ATOM 0 HB1 ALA A 57 -1.863 -4.953 1.211 1.00 62.32 H new ATOM 0 HB2 ALA A 57 -0.776 -5.519 2.500 1.00 62.32 H new ATOM 0 HB3 ALA A 57 -1.909 -4.184 2.815 1.00 62.32 H new ATOM 799 N ALA A 58 -0.257 -1.279 1.089 1.00 64.01 N ATOM 800 CA ALA A 58 -0.783 -0.060 0.488 1.00 12.23 C ATOM 801 C ALA A 58 -0.435 0.016 -0.994 1.00 51.44 C ATOM 802 O ALA A 58 -1.318 0.152 -1.843 1.00 23.22 O ATOM 803 CB ALA A 58 -0.250 1.162 1.221 1.00 10.40 C ATOM 0 H ALA A 58 0.603 -1.149 1.622 1.00 64.01 H new ATOM 0 HA ALA A 58 -1.869 -0.079 0.578 1.00 12.23 H new ATOM 0 HB1 ALA A 58 -0.651 2.065 0.762 1.00 10.40 H new ATOM 0 HB2 ALA A 58 -0.555 1.121 2.267 1.00 10.40 H new ATOM 0 HB3 ALA A 58 0.838 1.177 1.161 1.00 10.40 H new