USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, 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 NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -92:sc= -0.0533 (180deg=-0.58) USER MOD Single : A 2 TYR OH : rot 180:sc= 1.21 USER MOD Single : A 7 GLN : amide:sc=-0.00847 K(o=-0.0085,f=-0.79) USER MOD Single : A 11 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.0082) USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.756 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 -130:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 2.308 -0.407 -0.412 1.00 62.13 N ATOM 2 CA ILE A 1 3.107 -0.484 -1.629 1.00 51.02 C ATOM 3 C ILE A 1 2.578 -1.564 -2.566 1.00 62.45 C ATOM 4 O ILE A 1 2.584 -1.400 -3.787 1.00 10.44 O ATOM 5 CB ILE A 1 4.587 -0.773 -1.314 1.00 54.31 C ATOM 6 CG1 ILE A 1 5.166 0.330 -0.425 1.00 71.24 C ATOM 7 CG2 ILE A 1 5.387 -0.898 -2.601 1.00 65.45 C ATOM 8 CD1 ILE A 1 5.184 1.691 -1.085 1.00 64.35 C ATOM 0 H1 ILE A 1 1.551 0.295 -0.538 1.00 62.13 H new ATOM 0 HA ILE A 1 3.031 0.487 -2.118 1.00 51.02 H new ATOM 0 HB ILE A 1 4.651 -1.719 -0.776 1.00 54.31 H new ATOM 0 HG12 ILE A 1 4.583 0.388 0.494 1.00 71.24 H new ATOM 0 HG13 ILE A 1 6.183 0.060 -0.140 1.00 71.24 H new ATOM 0 HG21 ILE A 1 6.431 -1.102 -2.362 1.00 65.45 H new ATOM 0 HG22 ILE A 1 4.986 -1.715 -3.201 1.00 65.45 H new ATOM 0 HG23 ILE A 1 5.319 0.033 -3.164 1.00 65.45 H new ATOM 0 HD11 ILE A 1 5.607 2.423 -0.397 1.00 64.35 H new ATOM 0 HD12 ILE A 1 5.791 1.649 -1.989 1.00 64.35 H new ATOM 0 HD13 ILE A 1 4.166 1.983 -1.345 1.00 64.35 H new ATOM 20 N TYR A 2 2.120 -2.669 -1.988 1.00 41.11 N ATOM 21 CA TYR A 2 1.588 -3.777 -2.772 1.00 33.55 C ATOM 22 C TYR A 2 0.176 -3.470 -3.261 1.00 71.11 C ATOM 23 O TYR A 2 -0.416 -4.247 -4.010 1.00 71.11 O ATOM 24 CB TYR A 2 1.583 -5.061 -1.940 1.00 31.22 C ATOM 25 CG TYR A 2 2.952 -5.680 -1.773 1.00 5.31 C ATOM 26 CD1 TYR A 2 3.832 -5.216 -0.802 1.00 34.44 C ATOM 27 CD2 TYR A 2 3.368 -6.726 -2.587 1.00 31.44 C ATOM 28 CE1 TYR A 2 5.084 -5.778 -0.646 1.00 3.23 C ATOM 29 CE2 TYR A 2 4.618 -7.295 -2.437 1.00 11.21 C ATOM 30 CZ TYR A 2 5.473 -6.817 -1.465 1.00 55.04 C ATOM 31 OH TYR A 2 6.719 -7.380 -1.314 1.00 42.40 O ATOM 0 H TYR A 2 2.107 -2.821 -0.979 1.00 41.11 H new ATOM 0 HA TYR A 2 2.232 -3.916 -3.641 1.00 33.55 H new ATOM 0 HB2 TYR A 2 1.169 -4.844 -0.955 1.00 31.22 H new ATOM 0 HB3 TYR A 2 0.920 -5.787 -2.411 1.00 31.22 H new ATOM 0 HD1 TYR A 2 3.532 -4.402 -0.159 1.00 34.44 H new ATOM 0 HD2 TYR A 2 2.703 -7.101 -3.351 1.00 31.44 H new ATOM 0 HE1 TYR A 2 5.755 -5.406 0.114 1.00 3.23 H new ATOM 0 HE2 TYR A 2 4.924 -8.109 -3.077 1.00 11.21 H new ATOM 0 HH TYR A 2 6.834 -8.100 -1.969 1.00 42.40 H new ATOM 41 N TRP A 3 -0.357 -2.331 -2.833 1.00 25.43 N ATOM 42 CA TRP A 3 -1.699 -1.919 -3.227 1.00 61.43 C ATOM 43 C TRP A 3 -1.643 -0.784 -4.243 1.00 13.40 C ATOM 44 O TRP A 3 -2.510 -0.672 -5.111 1.00 23.12 O ATOM 45 CB TRP A 3 -2.502 -1.484 -2.001 1.00 34.43 C ATOM 46 CG TRP A 3 -3.899 -1.051 -2.329 1.00 32.24 C ATOM 47 CD1 TRP A 3 -4.998 -1.853 -2.455 1.00 4.01 C ATOM 48 CD2 TRP A 3 -4.346 0.287 -2.574 1.00 33.34 C ATOM 49 NE1 TRP A 3 -6.101 -1.094 -2.764 1.00 4.02 N ATOM 50 CE2 TRP A 3 -5.728 0.222 -2.841 1.00 62.24 C ATOM 51 CE3 TRP A 3 -3.715 1.533 -2.591 1.00 2.21 C ATOM 52 CZ2 TRP A 3 -6.485 1.356 -3.124 1.00 20.43 C ATOM 53 CZ3 TRP A 3 -4.468 2.657 -2.872 1.00 3.44 C ATOM 54 CH2 TRP A 3 -5.841 2.563 -3.134 1.00 61.11 C ATOM 0 H TRP A 3 0.120 -1.676 -2.213 1.00 25.43 H new ATOM 0 HA TRP A 3 -2.193 -2.773 -3.691 1.00 61.43 H new ATOM 0 HB2 TRP A 3 -2.543 -2.310 -1.290 1.00 34.43 H new ATOM 0 HB3 TRP A 3 -1.981 -0.664 -1.507 1.00 34.43 H new ATOM 0 HD1 TRP A 3 -5.000 -2.926 -2.330 1.00 4.01 H new ATOM 0 HE1 TRP A 3 -7.044 -1.452 -2.912 1.00 4.02 H new ATOM 0 HE3 TRP A 3 -2.658 1.616 -2.388 1.00 2.21 H new ATOM 0 HZ2 TRP A 3 -7.543 1.285 -3.328 1.00 20.43 H new ATOM 0 HZ3 TRP A 3 -3.990 3.625 -2.890 1.00 3.44 H new ATOM 0 HH2 TRP A 3 -6.402 3.461 -3.348 1.00 61.11 H new ATOM 65 N ILE A 4 -0.620 0.056 -4.129 1.00 51.43 N ATOM 66 CA ILE A 4 -0.452 1.183 -5.039 1.00 72.43 C ATOM 67 C ILE A 4 -0.017 0.711 -6.423 1.00 2.33 C ATOM 68 O ILE A 4 -0.470 1.236 -7.439 1.00 44.34 O ATOM 69 CB ILE A 4 0.582 2.190 -4.503 1.00 42.05 C ATOM 70 CG1 ILE A 4 0.045 2.890 -3.253 1.00 72.43 C ATOM 71 CG2 ILE A 4 0.935 3.209 -5.577 1.00 33.20 C ATOM 72 CD1 ILE A 4 0.918 2.701 -2.033 1.00 31.54 C ATOM 0 H ILE A 4 0.105 -0.022 -3.416 1.00 51.43 H new ATOM 0 HA ILE A 4 -1.421 1.676 -5.114 1.00 72.43 H new ATOM 0 HB ILE A 4 1.488 1.648 -4.232 1.00 42.05 H new ATOM 0 HG12 ILE A 4 -0.054 3.956 -3.458 1.00 72.43 H new ATOM 0 HG13 ILE A 4 -0.955 2.513 -3.036 1.00 72.43 H new ATOM 0 HG21 ILE A 4 1.667 3.914 -5.183 1.00 33.20 H new ATOM 0 HG22 ILE A 4 1.355 2.695 -6.442 1.00 33.20 H new ATOM 0 HG23 ILE A 4 0.036 3.748 -5.876 1.00 33.20 H new ATOM 0 HD11 ILE A 4 0.476 3.224 -1.185 1.00 31.54 H new ATOM 0 HD12 ILE A 4 0.997 1.638 -1.803 1.00 31.54 H new ATOM 0 HD13 ILE A 4 1.911 3.104 -2.230 1.00 31.54 H new ATOM 84 N ALA A 5 0.864 -0.284 -6.453 1.00 13.32 N ATOM 85 CA ALA A 5 1.358 -0.829 -7.711 1.00 55.12 C ATOM 86 C ALA A 5 0.227 -1.459 -8.518 1.00 22.45 C ATOM 87 O ALA A 5 0.367 -1.702 -9.716 1.00 64.03 O ATOM 88 CB ALA A 5 2.455 -1.850 -7.450 1.00 10.24 C ATOM 0 H ALA A 5 1.250 -0.729 -5.620 1.00 13.32 H new ATOM 0 HA ALA A 5 1.773 -0.008 -8.296 1.00 55.12 H new ATOM 0 HB1 ALA A 5 2.814 -2.249 -8.399 1.00 10.24 H new ATOM 0 HB2 ALA A 5 3.280 -1.371 -6.922 1.00 10.24 H new ATOM 0 HB3 ALA A 5 2.058 -2.663 -6.842 1.00 10.24 H new ATOM 94 N ASP A 6 -0.892 -1.723 -7.852 1.00 50.12 N ATOM 95 CA ASP A 6 -2.047 -2.325 -8.508 1.00 32.35 C ATOM 96 C ASP A 6 -2.949 -1.254 -9.111 1.00 54.45 C ATOM 97 O ASP A 6 -3.158 -1.216 -10.324 1.00 5.02 O ATOM 98 CB ASP A 6 -2.839 -3.175 -7.513 1.00 13.15 C ATOM 99 CG ASP A 6 -1.994 -4.260 -6.876 1.00 65.54 C ATOM 100 OD1 ASP A 6 -1.004 -4.688 -7.507 1.00 61.20 O ATOM 101 OD2 ASP A 6 -2.321 -4.682 -5.747 1.00 42.25 O ATOM 0 H ASP A 6 -1.024 -1.530 -6.859 1.00 50.12 H new ATOM 0 HA ASP A 6 -1.684 -2.964 -9.313 1.00 32.35 H new ATOM 0 HB2 ASP A 6 -3.246 -2.531 -6.733 1.00 13.15 H new ATOM 0 HB3 ASP A 6 -3.686 -3.632 -8.024 1.00 13.15 H new ATOM 106 N GLN A 7 -3.482 -0.386 -8.257 1.00 54.14 N ATOM 107 CA GLN A 7 -4.364 0.685 -8.707 1.00 42.05 C ATOM 108 C GLN A 7 -3.600 1.701 -9.550 1.00 63.23 C ATOM 109 O GLN A 7 -3.871 1.865 -10.740 1.00 11.41 O ATOM 110 CB GLN A 7 -5.008 1.382 -7.508 1.00 34.31 C ATOM 111 CG GLN A 7 -5.687 0.425 -6.541 1.00 73.13 C ATOM 112 CD GLN A 7 -7.012 -0.093 -7.067 1.00 24.44 C ATOM 113 OE1 GLN A 7 -7.055 -0.840 -8.045 1.00 32.24 O ATOM 114 NE2 GLN A 7 -8.101 0.301 -6.418 1.00 72.10 N ATOM 0 H GLN A 7 -3.319 -0.403 -7.250 1.00 54.14 H new ATOM 0 HA GLN A 7 -5.146 0.242 -9.324 1.00 42.05 H new ATOM 0 HB2 GLN A 7 -4.244 1.945 -6.972 1.00 34.31 H new ATOM 0 HB3 GLN A 7 -5.742 2.103 -7.868 1.00 34.31 H new ATOM 0 HG2 GLN A 7 -5.024 -0.418 -6.344 1.00 73.13 H new ATOM 0 HG3 GLN A 7 -5.851 0.931 -5.590 1.00 73.13 H new ATOM 0 HE21 GLN A 7 -8.018 0.921 -5.612 1.00 72.10 H new ATOM 0 HE22 GLN A 7 -9.021 -0.016 -6.725 1.00 72.10 H new ATOM 123 N PHE A 8 -2.643 2.380 -8.926 1.00 54.31 N ATOM 124 CA PHE A 8 -1.841 3.382 -9.619 1.00 25.45 C ATOM 125 C PHE A 8 -0.868 2.721 -10.591 1.00 42.11 C ATOM 126 O PHE A 8 -0.932 2.946 -11.799 1.00 4.31 O ATOM 127 CB PHE A 8 -1.070 4.235 -8.609 1.00 64.12 C ATOM 128 CG PHE A 8 -1.953 4.931 -7.614 1.00 32.43 C ATOM 129 CD1 PHE A 8 -2.405 4.266 -6.485 1.00 75.24 C ATOM 130 CD2 PHE A 8 -2.332 6.249 -7.807 1.00 11.45 C ATOM 131 CE1 PHE A 8 -3.218 4.903 -5.567 1.00 55.10 C ATOM 132 CE2 PHE A 8 -3.144 6.892 -6.892 1.00 15.05 C ATOM 133 CZ PHE A 8 -3.589 6.218 -5.771 1.00 72.31 C ATOM 0 H PHE A 8 -2.404 2.255 -7.942 1.00 54.31 H new ATOM 0 HA PHE A 8 -2.515 4.023 -10.187 1.00 25.45 H new ATOM 0 HB2 PHE A 8 -0.363 3.600 -8.074 1.00 64.12 H new ATOM 0 HB3 PHE A 8 -0.485 4.981 -9.147 1.00 64.12 H new ATOM 0 HD1 PHE A 8 -2.118 3.238 -6.321 1.00 75.24 H new ATOM 0 HD2 PHE A 8 -1.989 6.780 -8.682 1.00 11.45 H new ATOM 0 HE1 PHE A 8 -3.563 4.374 -4.691 1.00 55.10 H new ATOM 0 HE2 PHE A 8 -3.431 7.921 -7.053 1.00 15.05 H new ATOM 0 HZ PHE A 8 -4.225 6.718 -5.056 1.00 72.31 H new ATOM 143 N GLY A 9 0.034 1.904 -10.054 1.00 54.23 N ATOM 144 CA GLY A 9 1.008 1.224 -10.888 1.00 34.13 C ATOM 145 C GLY A 9 1.909 2.189 -11.632 1.00 54.12 C ATOM 146 O GLY A 9 1.771 2.369 -12.843 1.00 12.05 O ATOM 0 H GLY A 9 0.107 1.701 -9.057 1.00 54.23 H new ATOM 0 HA2 GLY A 9 1.618 0.568 -10.267 1.00 34.13 H new ATOM 0 HA3 GLY A 9 0.487 0.591 -11.606 1.00 34.13 H new ATOM 150 N ILE A 10 2.832 2.813 -10.908 1.00 32.50 N ATOM 151 CA ILE A 10 3.758 3.765 -11.508 1.00 30.21 C ATOM 152 C ILE A 10 4.705 3.072 -12.481 1.00 65.31 C ATOM 153 O ILE A 10 5.015 1.890 -12.327 1.00 63.34 O ATOM 154 CB ILE A 10 4.587 4.496 -10.435 1.00 54.33 C ATOM 155 CG1 ILE A 10 3.675 5.015 -9.321 1.00 60.41 C ATOM 156 CG2 ILE A 10 5.371 5.640 -11.061 1.00 13.23 C ATOM 157 CD1 ILE A 10 2.580 5.934 -9.815 1.00 2.22 C ATOM 0 H ILE A 10 2.958 2.676 -9.905 1.00 32.50 H new ATOM 0 HA ILE A 10 3.155 4.494 -12.049 1.00 30.21 H new ATOM 0 HB ILE A 10 5.295 3.791 -10.000 1.00 54.33 H new ATOM 0 HG12 ILE A 10 3.222 4.166 -8.808 1.00 60.41 H new ATOM 0 HG13 ILE A 10 4.279 5.546 -8.586 1.00 60.41 H new ATOM 0 HG21 ILE A 10 5.952 6.147 -10.291 1.00 13.23 H new ATOM 0 HG22 ILE A 10 6.044 5.246 -11.823 1.00 13.23 H new ATOM 0 HG23 ILE A 10 4.679 6.347 -11.519 1.00 13.23 H new ATOM 0 HD11 ILE A 10 1.973 6.263 -8.972 1.00 2.22 H new ATOM 0 HD12 ILE A 10 3.025 6.802 -10.302 1.00 2.22 H new ATOM 0 HD13 ILE A 10 1.951 5.401 -10.528 1.00 2.22 H new ATOM 169 N HIS A 11 5.165 3.815 -13.483 1.00 14.44 N ATOM 170 CA HIS A 11 6.080 3.273 -14.481 1.00 12.14 C ATOM 171 C HIS A 11 7.279 2.607 -13.813 1.00 2.32 C ATOM 172 O HIS A 11 7.869 1.675 -14.360 1.00 62.30 O ATOM 173 CB HIS A 11 6.555 4.380 -15.422 1.00 71.24 C ATOM 174 CG HIS A 11 6.904 3.890 -16.794 1.00 52.11 C ATOM 175 ND1 HIS A 11 8.019 4.316 -17.484 1.00 64.50 N ATOM 176 CD2 HIS A 11 6.278 3.004 -17.604 1.00 12.32 C ATOM 177 CE1 HIS A 11 8.063 3.714 -18.659 1.00 65.13 C ATOM 178 NE2 HIS A 11 7.018 2.912 -18.757 1.00 1.54 N ATOM 0 H HIS A 11 4.919 4.795 -13.625 1.00 14.44 H new ATOM 0 HA HIS A 11 5.544 2.520 -15.059 1.00 12.14 H new ATOM 0 HB2 HIS A 11 5.775 5.137 -15.503 1.00 71.24 H new ATOM 0 HB3 HIS A 11 7.427 4.867 -14.986 1.00 71.24 H new ATOM 0 HD2 HIS A 11 5.366 2.469 -17.384 1.00 12.32 H new ATOM 0 HE1 HIS A 11 8.824 3.854 -19.412 1.00 65.13 H new ATOM 0 HE2 HIS A 11 6.797 2.321 -19.558 1.00 1.54 H new ATOM 186 N LEU A 12 7.635 3.092 -12.628 1.00 43.35 N ATOM 187 CA LEU A 12 8.765 2.545 -11.886 1.00 23.21 C ATOM 188 C LEU A 12 8.654 1.028 -11.764 1.00 54.42 C ATOM 189 O LEU A 12 9.620 0.304 -11.999 1.00 42.14 O ATOM 190 CB LEU A 12 8.840 3.175 -10.494 1.00 41.42 C ATOM 191 CG LEU A 12 9.549 2.350 -9.420 1.00 62.43 C ATOM 192 CD1 LEU A 12 11.000 2.104 -9.807 1.00 14.55 C ATOM 193 CD2 LEU A 12 9.465 3.046 -8.070 1.00 4.20 C ATOM 0 H LEU A 12 7.157 3.863 -12.161 1.00 43.35 H new ATOM 0 HA LEU A 12 9.676 2.782 -12.435 1.00 23.21 H new ATOM 0 HB2 LEU A 12 9.347 4.136 -10.579 1.00 41.42 H new ATOM 0 HB3 LEU A 12 7.825 3.380 -10.155 1.00 41.42 H new ATOM 0 HG LEU A 12 9.047 1.386 -9.340 1.00 62.43 H new ATOM 0 HD11 LEU A 12 11.489 1.515 -9.031 1.00 14.55 H new ATOM 0 HD12 LEU A 12 11.038 1.562 -10.752 1.00 14.55 H new ATOM 0 HD13 LEU A 12 11.514 3.059 -9.916 1.00 14.55 H new ATOM 0 HD21 LEU A 12 9.975 2.444 -7.318 1.00 4.20 H new ATOM 0 HD22 LEU A 12 9.940 4.025 -8.135 1.00 4.20 H new ATOM 0 HD23 LEU A 12 8.419 3.169 -7.788 1.00 4.20 H new ATOM 205 N ALA A 13 7.467 0.555 -11.397 1.00 41.32 N ATOM 206 CA ALA A 13 7.228 -0.875 -11.249 1.00 13.24 C ATOM 207 C ALA A 13 7.051 -1.546 -12.607 1.00 12.25 C ATOM 208 O ALA A 13 6.034 -2.192 -12.864 1.00 45.13 O ATOM 209 CB ALA A 13 6.006 -1.117 -10.375 1.00 21.54 C ATOM 0 H ALA A 13 6.657 1.141 -11.197 1.00 41.32 H new ATOM 0 HA ALA A 13 8.100 -1.316 -10.767 1.00 13.24 H new ATOM 0 HB1 ALA A 13 5.839 -2.189 -10.273 1.00 21.54 H new ATOM 0 HB2 ALA A 13 6.171 -0.680 -9.390 1.00 21.54 H new ATOM 0 HB3 ALA A 13 5.132 -0.656 -10.835 1.00 21.54 H new ATOM 215 N THR A 14 8.046 -1.388 -13.474 1.00 22.34 N ATOM 216 CA THR A 14 8.000 -1.977 -14.806 1.00 35.10 C ATOM 217 C THR A 14 8.673 -3.344 -14.827 1.00 23.33 C ATOM 218 O THR A 14 9.319 -3.714 -15.806 1.00 71.24 O ATOM 219 CB THR A 14 8.679 -1.067 -15.847 1.00 13.25 C ATOM 220 OG1 THR A 14 8.485 -1.598 -17.162 1.00 44.33 O ATOM 221 CG2 THR A 14 10.167 -0.935 -15.561 1.00 21.21 C ATOM 0 H THR A 14 8.894 -0.857 -13.277 1.00 22.34 H new ATOM 0 HA THR A 14 6.947 -2.090 -15.065 1.00 35.10 H new ATOM 0 HB THR A 14 8.225 -0.078 -15.785 1.00 13.25 H new ATOM 0 HG1 THR A 14 8.802 -2.525 -17.191 1.00 44.33 H new ATOM 0 HG21 THR A 14 10.625 -0.288 -16.309 1.00 21.21 H new ATOM 0 HG22 THR A 14 10.310 -0.503 -14.571 1.00 21.21 H new ATOM 0 HG23 THR A 14 10.633 -1.919 -15.598 1.00 21.21 H new ATOM 229 N GLY A 15 8.518 -4.092 -13.738 1.00 70.34 N ATOM 230 CA GLY A 15 9.117 -5.411 -13.653 1.00 61.41 C ATOM 231 C GLY A 15 10.272 -5.461 -12.673 1.00 64.11 C ATOM 232 O GLY A 15 10.375 -6.387 -11.868 1.00 71.50 O ATOM 0 H GLY A 15 7.988 -3.808 -12.914 1.00 70.34 H new ATOM 0 HA2 GLY A 15 8.358 -6.133 -13.352 1.00 61.41 H new ATOM 0 HA3 GLY A 15 9.469 -5.711 -14.640 1.00 61.41 H new ATOM 236 N THR A 16 11.147 -4.462 -12.741 1.00 23.44 N ATOM 237 CA THR A 16 12.303 -4.397 -11.855 1.00 33.33 C ATOM 238 C THR A 16 11.881 -4.490 -10.393 1.00 14.02 C ATOM 239 O THR A 16 12.253 -5.427 -9.688 1.00 20.32 O ATOM 240 CB THR A 16 13.100 -3.096 -12.066 1.00 33.15 C ATOM 241 OG1 THR A 16 13.495 -2.981 -13.437 1.00 3.31 O ATOM 242 CG2 THR A 16 14.331 -3.065 -11.173 1.00 0.02 C ATOM 0 H THR A 16 11.077 -3.687 -13.400 1.00 23.44 H new ATOM 0 HA THR A 16 12.939 -5.248 -12.102 1.00 33.33 H new ATOM 0 HB THR A 16 12.458 -2.255 -11.802 1.00 33.15 H new ATOM 0 HG1 THR A 16 14.000 -2.151 -13.563 1.00 3.31 H new ATOM 0 HG21 THR A 16 14.878 -2.137 -11.339 1.00 0.02 H new ATOM 0 HG22 THR A 16 14.024 -3.123 -10.129 1.00 0.02 H new ATOM 0 HG23 THR A 16 14.974 -3.913 -11.410 1.00 0.02 H new ATOM 250 N ALA A 17 11.101 -3.512 -9.944 1.00 34.12 N ATOM 251 CA ALA A 17 10.626 -3.485 -8.566 1.00 74.50 C ATOM 252 C ALA A 17 9.765 -4.706 -8.258 1.00 65.42 C ATOM 253 O ALA A 17 9.770 -5.214 -7.136 1.00 51.35 O ATOM 254 CB ALA A 17 9.844 -2.207 -8.302 1.00 4.13 C ATOM 0 H ALA A 17 10.785 -2.728 -10.515 1.00 34.12 H new ATOM 0 HA ALA A 17 11.495 -3.509 -7.908 1.00 74.50 H new ATOM 0 HB1 ALA A 17 9.495 -2.200 -7.269 1.00 4.13 H new ATOM 0 HB2 ALA A 17 10.488 -1.344 -8.473 1.00 4.13 H new ATOM 0 HB3 ALA A 17 8.987 -2.159 -8.974 1.00 4.13 H new ATOM 260 N ARG A 18 9.028 -5.173 -9.261 1.00 1.03 N ATOM 261 CA ARG A 18 8.161 -6.334 -9.096 1.00 2.52 C ATOM 262 C ARG A 18 8.958 -7.543 -8.616 1.00 33.23 C ATOM 263 O ARG A 18 8.596 -8.187 -7.631 1.00 22.43 O ATOM 264 CB ARG A 18 7.458 -6.663 -10.414 1.00 1.11 C ATOM 265 CG ARG A 18 6.291 -5.742 -10.728 1.00 55.11 C ATOM 266 CD ARG A 18 5.185 -5.871 -9.692 1.00 52.11 C ATOM 267 NE ARG A 18 3.875 -5.536 -10.245 1.00 1.22 N ATOM 268 CZ ARG A 18 2.735 -5.702 -9.585 1.00 15.25 C ATOM 269 NH1 ARG A 18 2.743 -6.195 -8.354 1.00 72.40 N ATOM 270 NH2 ARG A 18 1.582 -5.373 -10.155 1.00 24.20 N ATOM 0 H ARG A 18 9.014 -4.765 -10.196 1.00 1.03 H new ATOM 0 HA ARG A 18 7.411 -6.093 -8.343 1.00 2.52 H new ATOM 0 HB2 ARG A 18 8.183 -6.607 -11.226 1.00 1.11 H new ATOM 0 HB3 ARG A 18 7.099 -7.691 -10.377 1.00 1.11 H new ATOM 0 HG2 ARG A 18 6.640 -4.710 -10.763 1.00 55.11 H new ATOM 0 HG3 ARG A 18 5.895 -5.978 -11.716 1.00 55.11 H new ATOM 0 HD2 ARG A 18 5.166 -6.891 -9.307 1.00 52.11 H new ATOM 0 HD3 ARG A 18 5.401 -5.216 -8.848 1.00 52.11 H new ATOM 0 HE ARG A 18 3.834 -5.154 -11.190 1.00 1.22 H new ATOM 0 HH11 ARG A 18 3.627 -6.448 -7.912 1.00 72.40 H new ATOM 0 HH12 ARG A 18 1.866 -6.321 -7.850 1.00 72.40 H new ATOM 0 HH21 ARG A 18 1.571 -4.992 -11.101 1.00 24.20 H new ATOM 0 HH22 ARG A 18 0.707 -5.501 -9.647 1.00 24.20 H new ATOM 284 N LYS A 19 10.044 -7.847 -9.319 1.00 14.14 N ATOM 285 CA LYS A 19 10.893 -8.978 -8.965 1.00 72.32 C ATOM 286 C LYS A 19 11.514 -8.782 -7.586 1.00 22.30 C ATOM 287 O LYS A 19 11.837 -9.750 -6.896 1.00 65.32 O ATOM 288 CB LYS A 19 11.995 -9.162 -10.011 1.00 54.23 C ATOM 289 CG LYS A 19 11.467 -9.356 -11.422 1.00 44.24 C ATOM 290 CD LYS A 19 12.433 -8.806 -12.459 1.00 12.10 C ATOM 291 CE LYS A 19 13.681 -9.668 -12.571 1.00 31.01 C ATOM 292 NZ LYS A 19 14.774 -8.969 -13.301 1.00 61.05 N ATOM 0 H LYS A 19 10.357 -7.325 -10.138 1.00 14.14 H new ATOM 0 HA LYS A 19 10.271 -9.873 -8.940 1.00 72.32 H new ATOM 0 HB2 LYS A 19 12.650 -8.291 -9.994 1.00 54.23 H new ATOM 0 HB3 LYS A 19 12.604 -10.024 -9.738 1.00 54.23 H new ATOM 0 HG2 LYS A 19 11.299 -10.417 -11.606 1.00 44.24 H new ATOM 0 HG3 LYS A 19 10.502 -8.859 -11.522 1.00 44.24 H new ATOM 0 HD2 LYS A 19 11.937 -8.754 -13.428 1.00 12.10 H new ATOM 0 HD3 LYS A 19 12.716 -7.788 -12.191 1.00 12.10 H new ATOM 0 HE2 LYS A 19 14.026 -9.939 -11.573 1.00 31.01 H new ATOM 0 HE3 LYS A 19 13.436 -10.597 -13.086 1.00 31.01 H new ATOM 0 HZ1 LYS A 19 15.607 -9.589 -13.356 1.00 61.05 H new ATOM 0 HZ2 LYS A 19 14.454 -8.733 -14.262 1.00 61.05 H new ATOM 0 HZ3 LYS A 19 15.026 -8.096 -12.796 1.00 61.05 H new ATOM 306 N LEU A 20 11.677 -7.525 -7.189 1.00 64.10 N ATOM 307 CA LEU A 20 12.259 -7.202 -5.891 1.00 33.24 C ATOM 308 C LEU A 20 11.256 -7.451 -4.768 1.00 64.11 C ATOM 309 O LEU A 20 11.597 -8.027 -3.734 1.00 12.34 O ATOM 310 CB LEU A 20 12.719 -5.744 -5.865 1.00 2.45 C ATOM 311 CG LEU A 20 14.040 -5.444 -6.575 1.00 14.20 C ATOM 312 CD1 LEU A 20 14.325 -3.950 -6.564 1.00 33.04 C ATOM 313 CD2 LEU A 20 15.181 -6.211 -5.925 1.00 23.53 C ATOM 0 H LEU A 20 11.414 -6.713 -7.747 1.00 64.10 H new ATOM 0 HA LEU A 20 13.121 -7.851 -5.735 1.00 33.24 H new ATOM 0 HB2 LEU A 20 11.940 -5.130 -6.316 1.00 2.45 H new ATOM 0 HB3 LEU A 20 12.809 -5.431 -4.825 1.00 2.45 H new ATOM 0 HG LEU A 20 13.955 -5.769 -7.612 1.00 14.20 H new ATOM 0 HD11 LEU A 20 15.269 -3.756 -7.074 1.00 33.04 H new ATOM 0 HD12 LEU A 20 13.521 -3.422 -7.077 1.00 33.04 H new ATOM 0 HD13 LEU A 20 14.390 -3.600 -5.534 1.00 33.04 H new ATOM 0 HD21 LEU A 20 16.113 -5.985 -6.443 1.00 23.53 H new ATOM 0 HD22 LEU A 20 15.267 -5.917 -4.879 1.00 23.53 H new ATOM 0 HD23 LEU A 20 14.982 -7.281 -5.986 1.00 23.53 H new ATOM 325 N LEU A 21 10.019 -7.016 -4.980 1.00 3.14 N ATOM 326 CA LEU A 21 8.966 -7.193 -3.986 1.00 75.45 C ATOM 327 C LEU A 21 8.585 -8.665 -3.853 1.00 3.51 C ATOM 328 O LEU A 21 7.906 -9.057 -2.904 1.00 3.22 O ATOM 329 CB LEU A 21 7.734 -6.369 -4.367 1.00 65.34 C ATOM 330 CG LEU A 21 7.865 -4.854 -4.208 1.00 23.24 C ATOM 331 CD1 LEU A 21 6.824 -4.136 -5.052 1.00 35.54 C ATOM 332 CD2 LEU A 21 7.733 -4.459 -2.744 1.00 42.11 C ATOM 0 H LEU A 21 9.721 -6.539 -5.831 1.00 3.14 H new ATOM 0 HA LEU A 21 9.345 -6.846 -3.025 1.00 75.45 H new ATOM 0 HB2 LEU A 21 7.484 -6.585 -5.406 1.00 65.34 H new ATOM 0 HB3 LEU A 21 6.894 -6.707 -3.760 1.00 65.34 H new ATOM 0 HG LEU A 21 8.853 -4.555 -4.557 1.00 23.24 H new ATOM 0 HD11 LEU A 21 6.933 -3.059 -4.926 1.00 35.54 H new ATOM 0 HD12 LEU A 21 6.965 -4.394 -6.101 1.00 35.54 H new ATOM 0 HD13 LEU A 21 5.826 -4.439 -4.735 1.00 35.54 H new ATOM 0 HD21 LEU A 21 7.829 -3.377 -2.649 1.00 42.11 H new ATOM 0 HD22 LEU A 21 6.758 -4.771 -2.369 1.00 42.11 H new ATOM 0 HD23 LEU A 21 8.517 -4.945 -2.164 1.00 42.11 H new ATOM 344 N ASP A 22 9.029 -9.474 -4.808 1.00 42.12 N ATOM 345 CA ASP A 22 8.738 -10.903 -4.796 1.00 4.11 C ATOM 346 C ASP A 22 9.905 -11.690 -4.207 1.00 10.33 C ATOM 347 O ASP A 22 9.920 -12.920 -4.246 1.00 13.41 O ATOM 348 CB ASP A 22 8.438 -11.396 -6.212 1.00 71.11 C ATOM 349 CG ASP A 22 7.565 -12.636 -6.220 1.00 50.44 C ATOM 350 OD1 ASP A 22 6.375 -12.525 -5.860 1.00 53.11 O ATOM 351 OD2 ASP A 22 8.072 -13.717 -6.586 1.00 44.34 O ATOM 0 H ASP A 22 9.592 -9.165 -5.600 1.00 42.12 H new ATOM 0 HA ASP A 22 7.861 -11.065 -4.170 1.00 4.11 H new ATOM 0 HB2 ASP A 22 7.943 -10.603 -6.773 1.00 71.11 H new ATOM 0 HB3 ASP A 22 9.375 -11.612 -6.725 1.00 71.11 H new ATOM 356 N ALA A 23 10.882 -10.971 -3.662 1.00 35.40 N ATOM 357 CA ALA A 23 12.052 -11.602 -3.064 1.00 74.20 C ATOM 358 C ALA A 23 12.379 -10.981 -1.710 1.00 52.35 C ATOM 359 O ALA A 23 12.751 -11.680 -0.768 1.00 72.44 O ATOM 360 CB ALA A 23 13.246 -11.493 -4.000 1.00 3.22 C ATOM 0 H ALA A 23 10.886 -9.952 -3.623 1.00 35.40 H new ATOM 0 HA ALA A 23 11.825 -12.656 -2.905 1.00 74.20 H new ATOM 0 HB1 ALA A 23 14.113 -11.968 -3.541 1.00 3.22 H new ATOM 0 HB2 ALA A 23 13.016 -11.990 -4.942 1.00 3.22 H new ATOM 0 HB3 ALA A 23 13.466 -10.442 -4.188 1.00 3.22 H new ATOM 366 N VAL A 24 12.239 -9.662 -1.621 1.00 14.15 N ATOM 367 CA VAL A 24 12.519 -8.946 -0.382 1.00 10.03 C ATOM 368 C VAL A 24 11.557 -9.364 0.724 1.00 13.14 C ATOM 369 O VAL A 24 11.924 -9.402 1.898 1.00 35.54 O ATOM 370 CB VAL A 24 12.424 -7.422 -0.581 1.00 2.43 C ATOM 371 CG1 VAL A 24 13.460 -6.949 -1.590 1.00 33.22 C ATOM 372 CG2 VAL A 24 11.022 -7.028 -1.020 1.00 32.25 C ATOM 0 H VAL A 24 11.933 -9.068 -2.392 1.00 14.15 H new ATOM 0 HA VAL A 24 13.537 -9.204 -0.091 1.00 10.03 H new ATOM 0 HB VAL A 24 12.632 -6.936 0.372 1.00 2.43 H new ATOM 0 HG11 VAL A 24 13.377 -5.870 -1.717 1.00 33.22 H new ATOM 0 HG12 VAL A 24 14.458 -7.197 -1.230 1.00 33.22 H new ATOM 0 HG13 VAL A 24 13.287 -7.442 -2.547 1.00 33.22 H new ATOM 0 HG21 VAL A 24 10.973 -5.948 -1.156 1.00 32.25 H new ATOM 0 HG22 VAL A 24 10.783 -7.523 -1.961 1.00 32.25 H new ATOM 0 HG23 VAL A 24 10.304 -7.331 -0.258 1.00 32.25 H new ATOM 382 N ALA A 25 10.323 -9.677 0.341 1.00 2.21 N ATOM 383 CA ALA A 25 9.308 -10.095 1.300 1.00 2.31 C ATOM 384 C ALA A 25 9.767 -11.317 2.088 1.00 62.24 C ATOM 385 O ALA A 25 9.271 -11.584 3.182 1.00 25.32 O ATOM 386 CB ALA A 25 7.996 -10.386 0.587 1.00 63.24 C ATOM 0 H ALA A 25 10.002 -9.649 -0.627 1.00 2.21 H new ATOM 0 HA ALA A 25 9.152 -9.279 2.005 1.00 2.31 H new ATOM 0 HB1 ALA A 25 7.247 -10.697 1.315 1.00 63.24 H new ATOM 0 HB2 ALA A 25 7.653 -9.487 0.075 1.00 63.24 H new ATOM 0 HB3 ALA A 25 8.147 -11.183 -0.141 1.00 63.24 H new ATOM 392 N SER A 26 10.716 -12.057 1.523 1.00 4.12 N ATOM 393 CA SER A 26 11.239 -13.254 2.171 1.00 20.21 C ATOM 394 C SER A 26 12.223 -12.887 3.278 1.00 70.41 C ATOM 395 O SER A 26 12.241 -13.509 4.339 1.00 21.41 O ATOM 396 CB SER A 26 11.923 -14.158 1.144 1.00 62.22 C ATOM 397 OG SER A 26 12.617 -15.218 1.779 1.00 4.21 O ATOM 0 H SER A 26 11.138 -11.849 0.618 1.00 4.12 H new ATOM 0 HA SER A 26 10.402 -13.791 2.617 1.00 20.21 H new ATOM 0 HB2 SER A 26 11.178 -14.565 0.460 1.00 62.22 H new ATOM 0 HB3 SER A 26 12.619 -13.571 0.545 1.00 62.22 H new ATOM 0 HG SER A 26 13.044 -15.782 1.101 1.00 4.21 H new ATOM 403 N GLY A 27 13.041 -11.871 3.021 1.00 63.30 N ATOM 404 CA GLY A 27 14.017 -11.438 4.004 1.00 64.23 C ATOM 405 C GLY A 27 15.089 -10.550 3.404 1.00 65.32 C ATOM 406 O GLY A 27 16.178 -11.018 3.071 1.00 73.43 O ATOM 0 H GLY A 27 13.045 -11.340 2.150 1.00 63.30 H new ATOM 0 HA2 GLY A 27 13.509 -10.899 4.803 1.00 64.23 H new ATOM 0 HA3 GLY A 27 14.485 -12.312 4.456 1.00 64.23 H new ATOM 410 N ALA A 28 14.781 -9.265 3.264 1.00 63.10 N ATOM 411 CA ALA A 28 15.727 -8.310 2.700 1.00 11.33 C ATOM 412 C ALA A 28 15.898 -7.102 3.615 1.00 1.22 C ATOM 413 O ALA A 28 15.023 -6.239 3.691 1.00 62.34 O ATOM 414 CB ALA A 28 15.269 -7.867 1.318 1.00 3.04 C ATOM 0 H ALA A 28 13.884 -8.861 3.533 1.00 63.10 H new ATOM 0 HA ALA A 28 16.694 -8.804 2.609 1.00 11.33 H new ATOM 0 HB1 ALA A 28 15.985 -7.154 0.909 1.00 3.04 H new ATOM 0 HB2 ALA A 28 15.204 -8.734 0.661 1.00 3.04 H new ATOM 0 HB3 ALA A 28 14.289 -7.395 1.393 1.00 3.04 H new ATOM 420 N SER A 29 17.030 -7.047 4.309 1.00 4.23 N ATOM 421 CA SER A 29 17.314 -5.946 5.223 1.00 21.41 C ATOM 422 C SER A 29 17.949 -4.774 4.481 1.00 31.11 C ATOM 423 O SER A 29 18.338 -3.776 5.090 1.00 74.24 O ATOM 424 CB SER A 29 18.240 -6.415 6.347 1.00 1.22 C ATOM 425 OG SER A 29 17.937 -7.743 6.737 1.00 65.21 O ATOM 0 H SER A 29 17.766 -7.752 4.256 1.00 4.23 H new ATOM 0 HA SER A 29 16.371 -5.612 5.655 1.00 21.41 H new ATOM 0 HB2 SER A 29 19.277 -6.358 6.016 1.00 1.22 H new ATOM 0 HB3 SER A 29 18.142 -5.749 7.205 1.00 1.22 H new ATOM 0 HG SER A 29 18.544 -8.020 7.455 1.00 65.21 H new ATOM 431 N LEU A 30 18.051 -4.902 3.163 1.00 72.22 N ATOM 432 CA LEU A 30 18.638 -3.854 2.336 1.00 64.15 C ATOM 433 C LEU A 30 17.992 -2.504 2.627 1.00 54.34 C ATOM 434 O LEU A 30 16.791 -2.421 2.882 1.00 21.24 O ATOM 435 CB LEU A 30 18.481 -4.199 0.853 1.00 4.35 C ATOM 436 CG LEU A 30 19.777 -4.458 0.084 1.00 51.44 C ATOM 437 CD1 LEU A 30 20.758 -3.314 0.291 1.00 64.53 C ATOM 438 CD2 LEU A 30 20.397 -5.780 0.512 1.00 11.52 C ATOM 0 H LEU A 30 17.735 -5.721 2.644 1.00 72.22 H new ATOM 0 HA LEU A 30 19.699 -3.787 2.577 1.00 64.15 H new ATOM 0 HB2 LEU A 30 17.850 -5.084 0.771 1.00 4.35 H new ATOM 0 HB3 LEU A 30 17.949 -3.382 0.365 1.00 4.35 H new ATOM 0 HG LEU A 30 19.541 -4.519 -0.978 1.00 51.44 H new ATOM 0 HD11 LEU A 30 21.674 -3.516 -0.264 1.00 64.53 H new ATOM 0 HD12 LEU A 30 20.314 -2.385 -0.067 1.00 64.53 H new ATOM 0 HD13 LEU A 30 20.989 -3.221 1.352 1.00 64.53 H new ATOM 0 HD21 LEU A 30 21.318 -5.947 -0.046 1.00 11.52 H new ATOM 0 HD22 LEU A 30 20.619 -5.749 1.579 1.00 11.52 H new ATOM 0 HD23 LEU A 30 19.698 -6.592 0.310 1.00 11.52 H new ATOM 450 N GLY A 31 18.796 -1.446 2.584 1.00 63.03 N ATOM 451 CA GLY A 31 18.284 -0.113 2.843 1.00 61.23 C ATOM 452 C GLY A 31 18.617 0.862 1.731 1.00 73.01 C ATOM 453 O GLY A 31 17.837 1.768 1.435 1.00 2.41 O ATOM 0 H GLY A 31 19.793 -1.488 2.374 1.00 63.03 H new ATOM 0 HA2 GLY A 31 17.202 -0.161 2.968 1.00 61.23 H new ATOM 0 HA3 GLY A 31 18.698 0.256 3.782 1.00 61.23 H new ATOM 457 N THR A 32 19.779 0.678 1.113 1.00 43.42 N ATOM 458 CA THR A 32 20.215 1.551 0.030 1.00 61.55 C ATOM 459 C THR A 32 19.618 1.113 -1.303 1.00 30.40 C ATOM 460 O THR A 32 19.058 1.924 -2.039 1.00 73.13 O ATOM 461 CB THR A 32 21.751 1.572 -0.091 1.00 55.13 C ATOM 462 OG1 THR A 32 22.345 1.524 1.210 1.00 21.55 O ATOM 463 CG2 THR A 32 22.218 2.822 -0.822 1.00 24.32 C ATOM 0 H THR A 32 20.435 -0.068 1.344 1.00 43.42 H new ATOM 0 HA THR A 32 19.863 2.554 0.271 1.00 61.55 H new ATOM 0 HB THR A 32 22.061 0.698 -0.664 1.00 55.13 H new ATOM 0 HG1 THR A 32 23.321 1.536 1.125 1.00 21.55 H new ATOM 0 HG21 THR A 32 23.305 2.815 -0.896 1.00 24.32 H new ATOM 0 HG22 THR A 32 21.787 2.841 -1.823 1.00 24.32 H new ATOM 0 HG23 THR A 32 21.897 3.707 -0.272 1.00 24.32 H new ATOM 471 N ALA A 33 19.741 -0.175 -1.606 1.00 61.45 N ATOM 472 CA ALA A 33 19.211 -0.721 -2.850 1.00 32.44 C ATOM 473 C ALA A 33 17.724 -0.416 -2.993 1.00 53.52 C ATOM 474 O ALA A 33 17.237 -0.153 -4.093 1.00 60.43 O ATOM 475 CB ALA A 33 19.451 -2.222 -2.912 1.00 22.52 C ATOM 0 H ALA A 33 20.203 -0.860 -1.008 1.00 61.45 H new ATOM 0 HA ALA A 33 19.735 -0.245 -3.679 1.00 32.44 H new ATOM 0 HB1 ALA A 33 19.050 -2.616 -3.846 1.00 22.52 H new ATOM 0 HB2 ALA A 33 20.521 -2.422 -2.864 1.00 22.52 H new ATOM 0 HB3 ALA A 33 18.953 -2.705 -2.071 1.00 22.52 H new ATOM 481 N PHE A 34 17.006 -0.451 -1.875 1.00 63.42 N ATOM 482 CA PHE A 34 15.574 -0.180 -1.877 1.00 54.41 C ATOM 483 C PHE A 34 15.304 1.316 -2.016 1.00 71.23 C ATOM 484 O PHE A 34 14.281 1.724 -2.565 1.00 41.42 O ATOM 485 CB PHE A 34 14.931 -0.708 -0.593 1.00 1.22 C ATOM 486 CG PHE A 34 13.494 -1.110 -0.763 1.00 61.21 C ATOM 487 CD1 PHE A 34 13.134 -2.059 -1.706 1.00 72.41 C ATOM 488 CD2 PHE A 34 12.504 -0.540 0.020 1.00 13.11 C ATOM 489 CE1 PHE A 34 11.812 -2.431 -1.865 1.00 42.22 C ATOM 490 CE2 PHE A 34 11.180 -0.908 -0.134 1.00 42.32 C ATOM 491 CZ PHE A 34 10.834 -1.855 -1.078 1.00 23.24 C ATOM 0 H PHE A 34 17.393 -0.665 -0.956 1.00 63.42 H new ATOM 0 HA PHE A 34 15.134 -0.692 -2.733 1.00 54.41 H new ATOM 0 HB2 PHE A 34 15.500 -1.567 -0.238 1.00 1.22 H new ATOM 0 HB3 PHE A 34 14.996 0.059 0.179 1.00 1.22 H new ATOM 0 HD1 PHE A 34 13.895 -2.513 -2.324 1.00 72.41 H new ATOM 0 HD2 PHE A 34 12.769 0.201 0.760 1.00 13.11 H new ATOM 0 HE1 PHE A 34 11.544 -3.172 -2.604 1.00 42.22 H new ATOM 0 HE2 PHE A 34 10.418 -0.456 0.483 1.00 42.32 H new ATOM 0 HZ PHE A 34 9.801 -2.145 -1.201 1.00 23.24 H new ATOM 501 N ALA A 35 16.229 2.127 -1.514 1.00 42.13 N ATOM 502 CA ALA A 35 16.093 3.577 -1.583 1.00 71.44 C ATOM 503 C ALA A 35 16.462 4.097 -2.968 1.00 40.34 C ATOM 504 O ALA A 35 16.042 5.184 -3.365 1.00 64.14 O ATOM 505 CB ALA A 35 16.957 4.239 -0.521 1.00 1.22 C ATOM 0 H ALA A 35 17.081 1.805 -1.055 1.00 42.13 H new ATOM 0 HA ALA A 35 15.049 3.829 -1.395 1.00 71.44 H new ATOM 0 HB1 ALA A 35 16.846 5.321 -0.584 1.00 1.22 H new ATOM 0 HB2 ALA A 35 16.644 3.899 0.466 1.00 1.22 H new ATOM 0 HB3 ALA A 35 18.001 3.972 -0.683 1.00 1.22 H new ATOM 511 N ALA A 36 17.250 3.315 -3.699 1.00 11.21 N ATOM 512 CA ALA A 36 17.674 3.697 -5.040 1.00 42.20 C ATOM 513 C ALA A 36 16.577 3.422 -6.062 1.00 54.33 C ATOM 514 O ALA A 36 16.615 3.936 -7.181 1.00 32.41 O ATOM 515 CB ALA A 36 18.949 2.959 -5.420 1.00 43.35 C ATOM 0 H ALA A 36 17.608 2.413 -3.385 1.00 11.21 H new ATOM 0 HA ALA A 36 17.873 4.769 -5.040 1.00 42.20 H new ATOM 0 HB1 ALA A 36 19.255 3.254 -6.424 1.00 43.35 H new ATOM 0 HB2 ALA A 36 19.739 3.209 -4.712 1.00 43.35 H new ATOM 0 HB3 ALA A 36 18.768 1.884 -5.397 1.00 43.35 H new ATOM 521 N ILE A 37 15.601 2.610 -5.671 1.00 73.35 N ATOM 522 CA ILE A 37 14.493 2.268 -6.554 1.00 74.45 C ATOM 523 C ILE A 37 13.225 3.018 -6.162 1.00 14.05 C ATOM 524 O ILE A 37 12.378 3.313 -7.006 1.00 13.11 O ATOM 525 CB ILE A 37 14.206 0.754 -6.538 1.00 1.41 C ATOM 526 CG1 ILE A 37 13.984 0.271 -5.103 1.00 54.14 C ATOM 527 CG2 ILE A 37 15.350 -0.008 -7.188 1.00 65.52 C ATOM 528 CD1 ILE A 37 13.511 -1.163 -5.015 1.00 75.15 C ATOM 0 H ILE A 37 15.555 2.177 -4.749 1.00 73.35 H new ATOM 0 HA ILE A 37 14.790 2.563 -7.560 1.00 74.45 H new ATOM 0 HB ILE A 37 13.298 0.564 -7.110 1.00 1.41 H new ATOM 0 HG12 ILE A 37 14.915 0.373 -4.546 1.00 54.14 H new ATOM 0 HG13 ILE A 37 13.251 0.917 -4.620 1.00 54.14 H new ATOM 0 HG21 ILE A 37 15.133 -1.076 -7.169 1.00 65.52 H new ATOM 0 HG22 ILE A 37 15.466 0.321 -8.221 1.00 65.52 H new ATOM 0 HG23 ILE A 37 16.273 0.184 -6.641 1.00 65.52 H new ATOM 0 HD11 ILE A 37 13.375 -1.438 -3.969 1.00 75.15 H new ATOM 0 HD12 ILE A 37 12.564 -1.267 -5.544 1.00 75.15 H new ATOM 0 HD13 ILE A 37 14.254 -1.820 -5.469 1.00 75.15 H new ATOM 540 N LEU A 38 13.101 3.326 -4.875 1.00 73.12 N ATOM 541 CA LEU A 38 11.936 4.045 -4.369 1.00 64.43 C ATOM 542 C LEU A 38 12.237 5.533 -4.222 1.00 74.23 C ATOM 543 O LEU A 38 11.527 6.254 -3.522 1.00 70.50 O ATOM 544 CB LEU A 38 11.501 3.465 -3.022 1.00 55.23 C ATOM 545 CG LEU A 38 10.360 2.448 -3.067 1.00 33.02 C ATOM 546 CD1 LEU A 38 10.858 1.109 -3.588 1.00 43.23 C ATOM 547 CD2 LEU A 38 9.735 2.286 -1.689 1.00 3.45 C ATOM 0 H LEU A 38 13.792 3.089 -4.163 1.00 73.12 H new ATOM 0 HA LEU A 38 11.125 3.927 -5.088 1.00 64.43 H new ATOM 0 HB2 LEU A 38 12.365 2.991 -2.557 1.00 55.23 H new ATOM 0 HB3 LEU A 38 11.202 4.289 -2.374 1.00 55.23 H new ATOM 0 HG LEU A 38 9.596 2.819 -3.750 1.00 33.02 H new ATOM 0 HD11 LEU A 38 10.032 0.398 -3.613 1.00 43.23 H new ATOM 0 HD12 LEU A 38 11.258 1.236 -4.594 1.00 43.23 H new ATOM 0 HD13 LEU A 38 11.642 0.732 -2.931 1.00 43.23 H new ATOM 0 HD21 LEU A 38 8.925 1.559 -1.740 1.00 3.45 H new ATOM 0 HD22 LEU A 38 10.491 1.938 -0.985 1.00 3.45 H new ATOM 0 HD23 LEU A 38 9.341 3.245 -1.353 1.00 3.45 H new ATOM 559 N GLY A 39 13.293 5.987 -4.890 1.00 40.10 N ATOM 560 CA GLY A 39 13.667 7.388 -4.822 1.00 63.43 C ATOM 561 C GLY A 39 13.413 8.119 -6.125 1.00 42.42 C ATOM 562 O GLY A 39 13.500 9.346 -6.184 1.00 13.01 O ATOM 0 H GLY A 39 13.896 5.410 -5.477 1.00 40.10 H new ATOM 0 HA2 GLY A 39 13.107 7.872 -4.022 1.00 63.43 H new ATOM 0 HA3 GLY A 39 14.723 7.467 -4.564 1.00 63.43 H new ATOM 566 N VAL A 40 13.100 7.365 -7.174 1.00 41.43 N ATOM 567 CA VAL A 40 12.833 7.950 -8.483 1.00 63.32 C ATOM 568 C VAL A 40 11.430 8.542 -8.545 1.00 1.43 C ATOM 569 O VAL A 40 11.188 9.523 -9.250 1.00 32.41 O ATOM 570 CB VAL A 40 12.988 6.906 -9.606 1.00 14.24 C ATOM 571 CG1 VAL A 40 12.119 5.689 -9.327 1.00 15.42 C ATOM 572 CG2 VAL A 40 12.643 7.520 -10.954 1.00 41.12 C ATOM 0 H VAL A 40 13.025 6.348 -7.143 1.00 41.43 H new ATOM 0 HA VAL A 40 13.565 8.744 -8.630 1.00 63.32 H new ATOM 0 HB VAL A 40 14.028 6.581 -9.636 1.00 14.24 H new ATOM 0 HG11 VAL A 40 12.241 4.963 -10.130 1.00 15.42 H new ATOM 0 HG12 VAL A 40 12.418 5.238 -8.381 1.00 15.42 H new ATOM 0 HG13 VAL A 40 11.074 5.994 -9.269 1.00 15.42 H new ATOM 0 HG21 VAL A 40 12.758 6.769 -11.736 1.00 41.12 H new ATOM 0 HG22 VAL A 40 11.612 7.874 -10.939 1.00 41.12 H new ATOM 0 HG23 VAL A 40 13.311 8.357 -11.154 1.00 41.12 H new ATOM 582 N THR A 41 10.507 7.942 -7.801 1.00 34.34 N ATOM 583 CA THR A 41 9.126 8.409 -7.770 1.00 45.14 C ATOM 584 C THR A 41 8.556 8.348 -6.358 1.00 41.21 C ATOM 585 O THR A 41 7.854 9.261 -5.921 1.00 2.30 O ATOM 586 CB THR A 41 8.231 7.579 -8.710 1.00 25.24 C ATOM 587 OG1 THR A 41 6.856 7.920 -8.504 1.00 41.22 O ATOM 588 CG2 THR A 41 8.431 6.090 -8.471 1.00 32.34 C ATOM 0 H THR A 41 10.691 7.131 -7.211 1.00 34.34 H new ATOM 0 HA THR A 41 9.135 9.445 -8.110 1.00 45.14 H new ATOM 0 HB THR A 41 8.511 7.807 -9.738 1.00 25.24 H new ATOM 0 HG1 THR A 41 6.331 7.102 -8.381 1.00 41.22 H new ATOM 0 HG21 THR A 41 7.789 5.524 -9.146 1.00 32.34 H new ATOM 0 HG22 THR A 41 9.473 5.828 -8.656 1.00 32.34 H new ATOM 0 HG23 THR A 41 8.175 5.849 -7.439 1.00 32.34 H new ATOM 596 N LEU A 42 8.862 7.268 -5.648 1.00 34.01 N ATOM 597 CA LEU A 42 8.380 7.088 -4.283 1.00 14.32 C ATOM 598 C LEU A 42 9.127 8.002 -3.317 1.00 13.03 C ATOM 599 O LEU A 42 10.217 8.495 -3.607 1.00 60.31 O ATOM 600 CB LEU A 42 8.542 5.630 -3.852 1.00 33.44 C ATOM 601 CG LEU A 42 7.367 4.703 -4.165 1.00 33.51 C ATOM 602 CD1 LEU A 42 7.575 4.011 -5.503 1.00 73.32 C ATOM 603 CD2 LEU A 42 7.186 3.677 -3.055 1.00 15.40 C ATOM 0 H LEU A 42 9.442 6.504 -5.995 1.00 34.01 H new ATOM 0 HA LEU A 42 7.323 7.352 -4.260 1.00 14.32 H new ATOM 0 HB2 LEU A 42 9.434 5.227 -4.331 1.00 33.44 H new ATOM 0 HB3 LEU A 42 8.720 5.608 -2.777 1.00 33.44 H new ATOM 0 HG LEU A 42 6.461 5.305 -4.227 1.00 33.51 H new ATOM 0 HD11 LEU A 42 6.729 3.355 -5.709 1.00 73.32 H new ATOM 0 HD12 LEU A 42 7.654 4.760 -6.291 1.00 73.32 H new ATOM 0 HD13 LEU A 42 8.491 3.421 -5.469 1.00 73.32 H new ATOM 0 HD21 LEU A 42 6.345 3.026 -3.295 1.00 15.40 H new ATOM 0 HD22 LEU A 42 8.093 3.079 -2.961 1.00 15.40 H new ATOM 0 HD23 LEU A 42 6.990 4.190 -2.114 1.00 15.40 H new ATOM 615 N PRO A 43 8.529 8.233 -2.138 1.00 40.24 N ATOM 616 CA PRO A 43 9.122 9.087 -1.104 1.00 75.51 C ATOM 617 C PRO A 43 10.353 8.454 -0.466 1.00 65.32 C ATOM 618 O PRO A 43 10.851 7.431 -0.936 1.00 32.45 O ATOM 619 CB PRO A 43 7.998 9.227 -0.074 1.00 22.02 C ATOM 620 CG PRO A 43 7.159 8.010 -0.260 1.00 3.03 C ATOM 621 CD PRO A 43 7.229 7.679 -1.725 1.00 30.12 C ATOM 0 HA PRO A 43 9.469 10.038 -1.509 1.00 75.51 H new ATOM 0 HB2 PRO A 43 8.395 9.283 0.940 1.00 22.02 H new ATOM 0 HB3 PRO A 43 7.420 10.136 -0.240 1.00 22.02 H new ATOM 0 HG2 PRO A 43 7.531 7.183 0.345 1.00 3.03 H new ATOM 0 HG3 PRO A 43 6.130 8.194 0.050 1.00 3.03 H new ATOM 0 HD2 PRO A 43 7.177 6.604 -1.897 1.00 30.12 H new ATOM 0 HD3 PRO A 43 6.406 8.130 -2.279 1.00 30.12 H new ATOM 629 N ALA A 44 10.841 9.069 0.606 1.00 33.25 N ATOM 630 CA ALA A 44 12.013 8.564 1.310 1.00 21.31 C ATOM 631 C ALA A 44 11.619 7.887 2.619 1.00 52.24 C ATOM 632 O ALA A 44 12.292 6.965 3.079 1.00 5.50 O ATOM 633 CB ALA A 44 12.998 9.693 1.573 1.00 12.34 C ATOM 0 H ALA A 44 10.442 9.918 1.006 1.00 33.25 H new ATOM 0 HA ALA A 44 12.493 7.818 0.676 1.00 21.31 H new ATOM 0 HB1 ALA A 44 13.868 9.301 2.099 1.00 12.34 H new ATOM 0 HB2 ALA A 44 13.313 10.129 0.625 1.00 12.34 H new ATOM 0 HB3 ALA A 44 12.519 10.459 2.183 1.00 12.34 H new ATOM 639 N TRP A 45 10.525 8.351 3.213 1.00 63.14 N ATOM 640 CA TRP A 45 10.042 7.790 4.469 1.00 3.34 C ATOM 641 C TRP A 45 9.541 6.364 4.272 1.00 24.23 C ATOM 642 O TRP A 45 9.662 5.525 5.165 1.00 43.04 O ATOM 643 CB TRP A 45 8.924 8.662 5.044 1.00 24.31 C ATOM 644 CG TRP A 45 7.684 8.669 4.202 1.00 23.44 C ATOM 645 CD1 TRP A 45 7.339 9.594 3.259 1.00 23.10 C ATOM 646 CD2 TRP A 45 6.625 7.706 4.230 1.00 53.13 C ATOM 647 NE1 TRP A 45 6.129 9.265 2.698 1.00 32.52 N ATOM 648 CE2 TRP A 45 5.670 8.110 3.276 1.00 42.22 C ATOM 649 CE3 TRP A 45 6.390 6.541 4.965 1.00 3.43 C ATOM 650 CZ2 TRP A 45 4.502 7.391 3.042 1.00 75.43 C ATOM 651 CZ3 TRP A 45 5.230 5.828 4.732 1.00 52.51 C ATOM 652 CH2 TRP A 45 4.298 6.254 3.776 1.00 14.33 C ATOM 0 H TRP A 45 9.956 9.114 2.845 1.00 63.14 H new ATOM 0 HA TRP A 45 10.875 7.768 5.172 1.00 3.34 H new ATOM 0 HB2 TRP A 45 8.674 8.307 6.044 1.00 24.31 H new ATOM 0 HB3 TRP A 45 9.288 9.684 5.150 1.00 24.31 H new ATOM 0 HD1 TRP A 45 7.931 10.458 2.993 1.00 23.10 H new ATOM 0 HE1 TRP A 45 5.650 9.794 1.970 1.00 32.52 H new ATOM 0 HE3 TRP A 45 7.103 6.204 5.703 1.00 3.43 H new ATOM 0 HZ2 TRP A 45 3.782 7.719 2.307 1.00 75.43 H new ATOM 0 HZ3 TRP A 45 5.038 4.927 5.296 1.00 52.51 H new ATOM 0 HH2 TRP A 45 3.401 5.674 3.615 1.00 14.33 H new ATOM 663 N ALA A 46 8.979 6.096 3.098 1.00 30.45 N ATOM 664 CA ALA A 46 8.462 4.769 2.784 1.00 10.43 C ATOM 665 C ALA A 46 9.541 3.706 2.952 1.00 65.50 C ATOM 666 O ALA A 46 9.242 2.534 3.189 1.00 10.52 O ATOM 667 CB ALA A 46 7.906 4.742 1.368 1.00 20.53 C ATOM 0 H ALA A 46 8.870 6.780 2.349 1.00 30.45 H new ATOM 0 HA ALA A 46 7.657 4.544 3.483 1.00 10.43 H new ATOM 0 HB1 ALA A 46 7.523 3.746 1.146 1.00 20.53 H new ATOM 0 HB2 ALA A 46 7.098 5.469 1.280 1.00 20.53 H new ATOM 0 HB3 ALA A 46 8.697 4.992 0.662 1.00 20.53 H new ATOM 673 N LEU A 47 10.798 4.119 2.827 1.00 54.13 N ATOM 674 CA LEU A 47 11.923 3.201 2.964 1.00 72.22 C ATOM 675 C LEU A 47 12.102 2.772 4.417 1.00 40.34 C ATOM 676 O LEU A 47 12.451 1.626 4.697 1.00 0.25 O ATOM 677 CB LEU A 47 13.207 3.856 2.451 1.00 34.13 C ATOM 678 CG LEU A 47 13.092 4.612 1.127 1.00 31.11 C ATOM 679 CD1 LEU A 47 14.341 5.442 0.876 1.00 24.23 C ATOM 680 CD2 LEU A 47 12.854 3.643 -0.022 1.00 32.44 C ATOM 0 H LEU A 47 11.063 5.084 2.631 1.00 54.13 H new ATOM 0 HA LEU A 47 11.711 2.314 2.366 1.00 72.22 H new ATOM 0 HB2 LEU A 47 13.567 4.549 3.212 1.00 34.13 H new ATOM 0 HB3 LEU A 47 13.967 3.082 2.340 1.00 34.13 H new ATOM 0 HG LEU A 47 12.238 5.287 1.189 1.00 31.11 H new ATOM 0 HD11 LEU A 47 14.241 5.973 -0.071 1.00 24.23 H new ATOM 0 HD12 LEU A 47 14.468 6.162 1.684 1.00 24.23 H new ATOM 0 HD13 LEU A 47 15.211 4.787 0.834 1.00 24.23 H new ATOM 0 HD21 LEU A 47 12.775 4.199 -0.956 1.00 32.44 H new ATOM 0 HD22 LEU A 47 13.687 2.943 -0.086 1.00 32.44 H new ATOM 0 HD23 LEU A 47 11.930 3.092 0.152 1.00 32.44 H new ATOM 692 N ALA A 48 11.859 3.700 5.336 1.00 13.42 N ATOM 693 CA ALA A 48 11.989 3.418 6.760 1.00 30.42 C ATOM 694 C ALA A 48 10.764 2.678 7.287 1.00 0.03 C ATOM 695 O ALA A 48 10.842 1.958 8.282 1.00 4.34 O ATOM 696 CB ALA A 48 12.204 4.708 7.537 1.00 13.01 C ATOM 0 H ALA A 48 11.571 4.654 5.120 1.00 13.42 H new ATOM 0 HA ALA A 48 12.858 2.775 6.900 1.00 30.42 H new ATOM 0 HB1 ALA A 48 12.299 4.482 8.599 1.00 13.01 H new ATOM 0 HB2 ALA A 48 13.114 5.196 7.187 1.00 13.01 H new ATOM 0 HB3 ALA A 48 11.353 5.372 7.383 1.00 13.01 H new ATOM 702 N ALA A 49 9.633 2.861 6.614 1.00 11.10 N ATOM 703 CA ALA A 49 8.392 2.210 7.014 1.00 33.03 C ATOM 704 C ALA A 49 8.404 0.730 6.646 1.00 44.32 C ATOM 705 O ALA A 49 7.895 -0.108 7.388 1.00 30.35 O ATOM 706 CB ALA A 49 7.200 2.905 6.373 1.00 42.52 C ATOM 0 H ALA A 49 9.551 3.455 5.789 1.00 11.10 H new ATOM 0 HA ALA A 49 8.304 2.287 8.098 1.00 33.03 H new ATOM 0 HB1 ALA A 49 6.280 2.408 6.681 1.00 42.52 H new ATOM 0 HB2 ALA A 49 7.173 3.947 6.690 1.00 42.52 H new ATOM 0 HB3 ALA A 49 7.292 2.858 5.288 1.00 42.52 H new ATOM 712 N ALA A 50 8.989 0.417 5.494 1.00 1.12 N ATOM 713 CA ALA A 50 9.069 -0.962 5.028 1.00 12.32 C ATOM 714 C ALA A 50 10.396 -1.600 5.425 1.00 12.53 C ATOM 715 O ALA A 50 10.853 -2.550 4.792 1.00 42.22 O ATOM 716 CB ALA A 50 8.884 -1.020 3.519 1.00 35.31 C ATOM 0 H ALA A 50 9.414 1.100 4.867 1.00 1.12 H new ATOM 0 HA ALA A 50 8.268 -1.527 5.504 1.00 12.32 H new ATOM 0 HB1 ALA A 50 8.946 -2.056 3.184 1.00 35.31 H new ATOM 0 HB2 ALA A 50 7.908 -0.612 3.256 1.00 35.31 H new ATOM 0 HB3 ALA A 50 9.665 -0.435 3.034 1.00 35.31 H new ATOM 722 N GLY A 51 11.010 -1.069 6.479 1.00 64.45 N ATOM 723 CA GLY A 51 12.280 -1.600 6.941 1.00 13.51 C ATOM 724 C GLY A 51 12.189 -2.187 8.335 1.00 31.43 C ATOM 725 O GLY A 51 12.791 -3.222 8.620 1.00 21.12 O ATOM 0 H GLY A 51 10.651 -0.282 7.020 1.00 64.45 H new ATOM 0 HA2 GLY A 51 12.623 -2.368 6.248 1.00 13.51 H new ATOM 0 HA3 GLY A 51 13.027 -0.806 6.932 1.00 13.51 H new ATOM 729 N ALA A 52 11.435 -1.525 9.207 1.00 23.41 N ATOM 730 CA ALA A 52 11.268 -1.989 10.579 1.00 52.11 C ATOM 731 C ALA A 52 9.816 -2.361 10.859 1.00 32.11 C ATOM 732 O ALA A 52 9.525 -3.465 11.322 1.00 4.14 O ATOM 733 CB ALA A 52 11.740 -0.924 11.557 1.00 11.43 C ATOM 0 H ALA A 52 10.930 -0.666 8.988 1.00 23.41 H new ATOM 0 HA ALA A 52 11.877 -2.883 10.711 1.00 52.11 H new ATOM 0 HB1 ALA A 52 11.610 -1.284 12.578 1.00 11.43 H new ATOM 0 HB2 ALA A 52 12.794 -0.709 11.380 1.00 11.43 H new ATOM 0 HB3 ALA A 52 11.155 -0.015 11.415 1.00 11.43 H new ATOM 739 N LEU A 53 8.907 -1.434 10.576 1.00 23.14 N ATOM 740 CA LEU A 53 7.484 -1.665 10.799 1.00 41.32 C ATOM 741 C LEU A 53 6.647 -0.559 10.163 1.00 25.11 C ATOM 742 O LEU A 53 6.963 0.623 10.290 1.00 1.21 O ATOM 743 CB LEU A 53 7.189 -1.746 12.297 1.00 14.04 C ATOM 744 CG LEU A 53 5.755 -2.115 12.680 1.00 72.12 C ATOM 745 CD1 LEU A 53 5.475 -3.574 12.355 1.00 74.20 C ATOM 746 CD2 LEU A 53 5.508 -1.839 14.156 1.00 44.53 C ATOM 0 H LEU A 53 9.130 -0.516 10.192 1.00 23.14 H new ATOM 0 HA LEU A 53 7.217 -2.612 10.331 1.00 41.32 H new ATOM 0 HB2 LEU A 53 7.862 -2.480 12.740 1.00 14.04 H new ATOM 0 HB3 LEU A 53 7.427 -0.782 12.746 1.00 14.04 H new ATOM 0 HG LEU A 53 5.073 -1.496 12.097 1.00 72.12 H new ATOM 0 HD11 LEU A 53 4.450 -3.819 12.634 1.00 74.20 H new ATOM 0 HD12 LEU A 53 5.610 -3.741 11.286 1.00 74.20 H new ATOM 0 HD13 LEU A 53 6.164 -4.209 12.911 1.00 74.20 H new ATOM 0 HD21 LEU A 53 4.483 -2.108 14.410 1.00 44.53 H new ATOM 0 HD22 LEU A 53 6.198 -2.431 14.757 1.00 44.53 H new ATOM 0 HD23 LEU A 53 5.667 -0.780 14.360 1.00 44.53 H new ATOM 758 N GLY A 54 5.577 -0.952 9.480 1.00 72.53 N ATOM 759 CA GLY A 54 4.710 0.017 8.836 1.00 11.32 C ATOM 760 C GLY A 54 4.083 -0.519 7.564 1.00 24.14 C ATOM 761 O GLY A 54 3.734 -1.696 7.485 1.00 20.43 O ATOM 0 H GLY A 54 5.295 -1.925 9.361 1.00 72.53 H new ATOM 0 HA2 GLY A 54 3.922 0.312 9.529 1.00 11.32 H new ATOM 0 HA3 GLY A 54 5.283 0.915 8.604 1.00 11.32 H new ATOM 765 N ALA A 55 3.939 0.347 6.567 1.00 42.02 N ATOM 766 CA ALA A 55 3.351 -0.046 5.293 1.00 73.44 C ATOM 767 C ALA A 55 4.065 -1.261 4.709 1.00 4.35 C ATOM 768 O ALA A 55 5.219 -1.172 4.288 1.00 60.54 O ATOM 769 CB ALA A 55 3.393 1.115 4.311 1.00 53.12 C ATOM 0 H ALA A 55 4.222 1.326 6.617 1.00 42.02 H new ATOM 0 HA ALA A 55 2.311 -0.319 5.471 1.00 73.44 H new ATOM 0 HB1 ALA A 55 2.950 0.807 3.364 1.00 53.12 H new ATOM 0 HB2 ALA A 55 2.831 1.956 4.717 1.00 53.12 H new ATOM 0 HB3 ALA A 55 4.428 1.416 4.147 1.00 53.12 H new ATOM 775 N THR A 56 3.373 -2.396 4.689 1.00 43.31 N ATOM 776 CA THR A 56 3.942 -3.628 4.159 1.00 25.43 C ATOM 777 C THR A 56 3.173 -4.107 2.933 1.00 3.12 C ATOM 778 O THR A 56 3.715 -4.818 2.087 1.00 1.25 O ATOM 779 CB THR A 56 3.945 -4.747 5.219 1.00 54.34 C ATOM 780 OG1 THR A 56 4.359 -5.982 4.626 1.00 72.55 O ATOM 781 CG2 THR A 56 2.563 -4.912 5.834 1.00 3.41 C ATOM 0 H THR A 56 2.417 -2.487 5.034 1.00 43.31 H new ATOM 0 HA THR A 56 4.970 -3.404 3.874 1.00 25.43 H new ATOM 0 HB THR A 56 4.646 -4.470 6.007 1.00 54.34 H new ATOM 0 HG1 THR A 56 4.360 -6.687 5.306 1.00 72.55 H new ATOM 0 HG21 THR A 56 2.589 -5.707 6.579 1.00 3.41 H new ATOM 0 HG22 THR A 56 2.263 -3.978 6.310 1.00 3.41 H new ATOM 0 HG23 THR A 56 1.846 -5.169 5.054 1.00 3.41 H new ATOM 789 N ALA A 57 1.908 -3.712 2.843 1.00 14.31 N ATOM 790 CA ALA A 57 1.065 -4.098 1.718 1.00 31.44 C ATOM 791 C ALA A 57 0.581 -2.874 0.948 1.00 23.24 C ATOM 792 O ALA A 57 0.088 -2.990 -0.173 1.00 42.41 O ATOM 793 CB ALA A 57 -0.120 -4.920 2.205 1.00 64.44 C ATOM 0 H ALA A 57 1.444 -3.125 3.536 1.00 14.31 H new ATOM 0 HA ALA A 57 1.663 -4.707 1.040 1.00 31.44 H new ATOM 0 HB1 ALA A 57 -0.741 -5.202 1.355 1.00 64.44 H new ATOM 0 HB2 ALA A 57 0.241 -5.819 2.704 1.00 64.44 H new ATOM 0 HB3 ALA A 57 -0.710 -4.329 2.905 1.00 64.44 H new ATOM 799 N ALA A 58 0.725 -1.702 1.558 1.00 24.35 N ATOM 800 CA ALA A 58 0.304 -0.457 0.929 1.00 3.33 C ATOM 801 C ALA A 58 0.969 -0.277 -0.431 1.00 50.13 C ATOM 802 O ALA A 58 0.294 -0.064 -1.439 1.00 51.23 O ATOM 803 CB ALA A 58 0.621 0.725 1.834 1.00 61.11 C ATOM 0 H ALA A 58 1.130 -1.589 2.487 1.00 24.35 H new ATOM 0 HA ALA A 58 -0.774 -0.503 0.774 1.00 3.33 H new ATOM 0 HB1 ALA A 58 0.301 1.649 1.352 1.00 61.11 H new ATOM 0 HB2 ALA A 58 0.095 0.609 2.781 1.00 61.11 H new ATOM 0 HB3 ALA A 58 1.695 0.765 2.018 1.00 61.11 H new