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+ -133:sc= -0.12 (180deg=-0.632) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00592 X(o=-0.0059,f=-0.35) USER MOD Single : A 11 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.84) USER MOD Single : A 14 THR OG1 : rot -48:sc= 1 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA ILE A 1 2.092 -0.002 -1.242 1.00 1.13 C ATOM 3 C ILE A 1 1.645 -1.134 -2.160 1.00 70.12 C ATOM 4 O ILE A 1 1.664 -0.999 -3.384 1.00 14.12 O ATOM 5 CB ILE A 1 3.602 -0.139 -0.974 1.00 25.42 C ATOM 6 CG1 ILE A 1 4.097 1.023 -0.111 1.00 24.15 C ATOM 7 CG2 ILE A 1 4.370 -0.196 -2.286 1.00 62.10 C ATOM 8 CD1 ILE A 1 3.987 2.370 -0.790 1.00 20.10 C ATOM 0 H1 ILE A 1 1.007 0.967 0.208 1.00 13.00 H new ATOM 0 HA ILE A 1 1.903 0.954 -1.730 1.00 1.13 H new ATOM 0 HB ILE A 1 3.777 -1.069 -0.433 1.00 25.42 H new ATOM 0 HG12 ILE A 1 3.525 1.045 0.817 1.00 24.15 H new ATOM 0 HG13 ILE A 1 5.138 0.846 0.160 1.00 24.15 H new ATOM 0 HG21 ILE A 1 5.436 -0.293 -2.080 1.00 62.10 H new ATOM 0 HG22 ILE A 1 4.033 -1.054 -2.868 1.00 62.10 H new ATOM 0 HG23 ILE A 1 4.192 0.718 -2.852 1.00 62.10 H new ATOM 0 HD11 ILE A 1 4.356 3.146 -0.120 1.00 20.10 H new ATOM 0 HD12 ILE A 1 4.582 2.367 -1.704 1.00 20.10 H new ATOM 0 HD13 ILE A 1 2.944 2.569 -1.037 1.00 20.10 H new ATOM 20 N TYR A 2 1.242 -2.249 -1.562 1.00 32.41 N ATOM 21 CA TYR A 2 0.790 -3.406 -2.326 1.00 31.11 C ATOM 22 C TYR A 2 -0.632 -3.198 -2.839 1.00 62.42 C ATOM 23 O TYR A 2 -1.168 -4.032 -3.569 1.00 21.31 O ATOM 24 CB TYR A 2 0.854 -4.669 -1.465 1.00 52.11 C ATOM 25 CG TYR A 2 2.218 -5.321 -1.447 1.00 51.01 C ATOM 26 CD1 TYR A 2 3.170 -4.959 -0.502 1.00 42.54 C ATOM 27 CD2 TYR A 2 2.555 -6.299 -2.375 1.00 52.40 C ATOM 28 CE1 TYR A 2 4.418 -5.551 -0.482 1.00 61.04 C ATOM 29 CE2 TYR A 2 3.800 -6.897 -2.362 1.00 35.54 C ATOM 30 CZ TYR A 2 4.728 -6.520 -1.414 1.00 33.23 C ATOM 31 OH TYR A 2 5.969 -7.113 -1.398 1.00 23.41 O ATOM 0 H TYR A 2 1.219 -2.377 -0.550 1.00 32.41 H new ATOM 0 HA TYR A 2 1.453 -3.525 -3.183 1.00 31.11 H new ATOM 0 HB2 TYR A 2 0.567 -4.417 -0.444 1.00 52.11 H new ATOM 0 HB3 TYR A 2 0.122 -5.387 -1.834 1.00 52.11 H new ATOM 0 HD1 TYR A 2 2.930 -4.202 0.230 1.00 42.54 H new ATOM 0 HD2 TYR A 2 1.831 -6.597 -3.119 1.00 52.40 H new ATOM 0 HE1 TYR A 2 5.147 -5.257 0.259 1.00 61.04 H new ATOM 0 HE2 TYR A 2 4.045 -7.656 -3.090 1.00 35.54 H new ATOM 0 HH TYR A 2 6.025 -7.774 -2.119 1.00 23.41 H new ATOM 41 N TRP A 3 -1.235 -2.081 -2.453 1.00 15.53 N ATOM 42 CA TRP A 3 -2.595 -1.761 -2.874 1.00 30.54 C ATOM 43 C TRP A 3 -2.599 -0.611 -3.874 1.00 13.44 C ATOM 44 O TRP A 3 -3.443 -0.558 -4.769 1.00 64.04 O ATOM 45 CB TRP A 3 -3.455 -1.403 -1.661 1.00 14.11 C ATOM 46 CG TRP A 3 -4.888 -1.130 -2.009 1.00 24.15 C ATOM 47 CD1 TRP A 3 -5.887 -2.051 -2.147 1.00 41.54 C ATOM 48 CD2 TRP A 3 -5.479 0.149 -2.263 1.00 70.30 C ATOM 49 NE1 TRP A 3 -7.064 -1.421 -2.473 1.00 11.21 N ATOM 50 CE2 TRP A 3 -6.841 -0.072 -2.549 1.00 3.40 C ATOM 51 CE3 TRP A 3 -4.992 1.458 -2.275 1.00 43.31 C ATOM 52 CZ2 TRP A 3 -7.717 0.969 -2.844 1.00 42.53 C ATOM 53 CZ3 TRP A 3 -5.862 2.490 -2.569 1.00 14.43 C ATOM 54 CH2 TRP A 3 -7.213 2.242 -2.849 1.00 64.43 C ATOM 0 H TRP A 3 -0.805 -1.381 -1.849 1.00 15.53 H new ATOM 0 HA TRP A 3 -3.015 -2.641 -3.361 1.00 30.54 H new ATOM 0 HB2 TRP A 3 -3.413 -2.220 -0.941 1.00 14.11 H new ATOM 0 HB3 TRP A 3 -3.033 -0.525 -1.172 1.00 14.11 H new ATOM 0 HD1 TRP A 3 -5.769 -3.117 -2.019 1.00 41.54 H new ATOM 0 HE1 TRP A 3 -7.959 -1.883 -2.633 1.00 11.21 H new ATOM 0 HE3 TRP A 3 -3.953 1.660 -2.058 1.00 43.31 H new ATOM 0 HZ2 TRP A 3 -8.758 0.779 -3.061 1.00 42.53 H new ATOM 0 HZ3 TRP A 3 -5.495 3.506 -2.583 1.00 14.43 H new ATOM 0 HH2 TRP A 3 -7.869 3.071 -3.073 1.00 64.43 H new ATOM 65 N ILE A 4 -1.653 0.309 -3.715 1.00 71.33 N ATOM 66 CA ILE A 4 -1.548 1.458 -4.606 1.00 32.30 C ATOM 67 C ILE A 4 -0.963 1.055 -5.956 1.00 13.54 C ATOM 68 O ILE A 4 -1.287 1.647 -6.985 1.00 75.40 O ATOM 69 CB ILE A 4 -0.676 2.569 -3.992 1.00 31.43 C ATOM 70 CG1 ILE A 4 -1.352 3.148 -2.747 1.00 41.13 C ATOM 71 CG2 ILE A 4 -0.413 3.662 -5.016 1.00 5.32 C ATOM 72 CD1 ILE A 4 -0.535 2.986 -1.485 1.00 24.42 C ATOM 0 H ILE A 4 -0.949 0.281 -2.978 1.00 71.33 H new ATOM 0 HA ILE A 4 -2.559 1.839 -4.750 1.00 32.30 H new ATOM 0 HB ILE A 4 0.281 2.139 -3.696 1.00 31.43 H new ATOM 0 HG12 ILE A 4 -1.548 4.208 -2.910 1.00 41.13 H new ATOM 0 HG13 ILE A 4 -2.318 2.663 -2.609 1.00 41.13 H new ATOM 0 HG21 ILE A 4 0.205 4.440 -4.567 1.00 5.32 H new ATOM 0 HG22 ILE A 4 0.106 3.238 -5.876 1.00 5.32 H new ATOM 0 HG23 ILE A 4 -1.360 4.093 -5.340 1.00 5.32 H new ATOM 0 HD11 ILE A 4 -1.076 3.419 -0.643 1.00 24.42 H new ATOM 0 HD12 ILE A 4 -0.361 1.926 -1.298 1.00 24.42 H new ATOM 0 HD13 ILE A 4 0.421 3.496 -1.603 1.00 24.42 H new ATOM 84 N ALA A 5 -0.101 0.045 -5.943 1.00 25.42 N ATOM 85 CA ALA A 5 0.527 -0.440 -7.166 1.00 51.30 C ATOM 86 C ALA A 5 -0.489 -1.135 -8.066 1.00 20.32 C ATOM 87 O ALA A 5 -0.262 -1.296 -9.265 1.00 75.31 O ATOM 88 CB ALA A 5 1.673 -1.383 -6.833 1.00 63.13 C ATOM 0 H ALA A 5 0.179 -0.454 -5.099 1.00 25.42 H new ATOM 0 HA ALA A 5 0.924 0.419 -7.707 1.00 51.30 H new ATOM 0 HB1 ALA A 5 2.133 -1.737 -7.756 1.00 63.13 H new ATOM 0 HB2 ALA A 5 2.417 -0.855 -6.237 1.00 63.13 H new ATOM 0 HB3 ALA A 5 1.292 -2.233 -6.268 1.00 63.13 H new ATOM 94 N ASP A 6 -1.608 -1.546 -7.479 1.00 61.24 N ATOM 95 CA ASP A 6 -2.659 -2.225 -8.229 1.00 12.43 C ATOM 96 C ASP A 6 -3.650 -1.219 -8.807 1.00 44.14 C ATOM 97 O ASP A 6 -3.743 -1.056 -10.024 1.00 2.34 O ATOM 98 CB ASP A 6 -3.392 -3.222 -7.331 1.00 33.23 C ATOM 99 CG ASP A 6 -4.164 -4.258 -8.125 1.00 10.40 C ATOM 100 OD1 ASP A 6 -5.270 -3.933 -8.606 1.00 60.24 O ATOM 101 OD2 ASP A 6 -3.662 -5.392 -8.266 1.00 3.01 O ATOM 0 H ASP A 6 -1.811 -1.421 -6.487 1.00 61.24 H new ATOM 0 HA ASP A 6 -2.193 -2.764 -9.054 1.00 12.43 H new ATOM 0 HB2 ASP A 6 -2.671 -3.725 -6.687 1.00 33.23 H new ATOM 0 HB3 ASP A 6 -4.079 -2.682 -6.679 1.00 33.23 H new ATOM 106 N GLN A 7 -4.387 -0.549 -7.928 1.00 0.14 N ATOM 107 CA GLN A 7 -5.372 0.439 -8.352 1.00 44.21 C ATOM 108 C GLN A 7 -4.722 1.522 -9.208 1.00 33.03 C ATOM 109 O GLN A 7 -5.049 1.677 -10.385 1.00 21.24 O ATOM 110 CB GLN A 7 -6.048 1.072 -7.135 1.00 20.23 C ATOM 111 CG GLN A 7 -6.732 0.063 -6.226 1.00 4.01 C ATOM 112 CD GLN A 7 -7.988 -0.521 -6.842 1.00 45.25 C ATOM 113 OE1 GLN A 7 -7.920 -1.384 -7.718 1.00 23.01 O ATOM 114 NE2 GLN A 7 -9.144 -0.052 -6.388 1.00 3.22 N ATOM 0 H GLN A 7 -4.321 -0.672 -6.918 1.00 0.14 H new ATOM 0 HA GLN A 7 -6.125 -0.071 -8.952 1.00 44.21 H new ATOM 0 HB2 GLN A 7 -5.302 1.620 -6.559 1.00 20.23 H new ATOM 0 HB3 GLN A 7 -6.785 1.799 -7.476 1.00 20.23 H new ATOM 0 HG2 GLN A 7 -6.036 -0.744 -5.996 1.00 4.01 H new ATOM 0 HG3 GLN A 7 -6.985 0.544 -5.281 1.00 4.01 H new ATOM 0 HE21 GLN A 7 -9.154 0.663 -5.661 1.00 3.22 H new ATOM 0 HE22 GLN A 7 -10.022 -0.407 -6.766 1.00 3.22 H new ATOM 123 N PHE A 8 -3.801 2.270 -8.609 1.00 33.54 N ATOM 124 CA PHE A 8 -3.107 3.339 -9.315 1.00 43.34 C ATOM 125 C PHE A 8 -2.031 2.773 -10.238 1.00 31.13 C ATOM 126 O PHE A 8 -2.170 2.797 -11.460 1.00 11.02 O ATOM 127 CB PHE A 8 -2.478 4.314 -8.318 1.00 25.02 C ATOM 128 CG PHE A 8 -3.459 4.880 -7.332 1.00 74.11 C ATOM 129 CD1 PHE A 8 -3.820 4.162 -6.203 1.00 61.12 C ATOM 130 CD2 PHE A 8 -4.022 6.130 -7.535 1.00 33.33 C ATOM 131 CE1 PHE A 8 -4.723 4.680 -5.294 1.00 21.11 C ATOM 132 CE2 PHE A 8 -4.925 6.653 -6.629 1.00 34.13 C ATOM 133 CZ PHE A 8 -5.277 5.927 -5.508 1.00 31.33 C ATOM 0 H PHE A 8 -3.518 2.155 -7.636 1.00 33.54 H new ATOM 0 HA PHE A 8 -3.838 3.873 -9.922 1.00 43.34 H new ATOM 0 HB2 PHE A 8 -1.683 3.803 -7.775 1.00 25.02 H new ATOM 0 HB3 PHE A 8 -2.013 5.133 -8.867 1.00 25.02 H new ATOM 0 HD1 PHE A 8 -3.391 3.186 -6.031 1.00 61.12 H new ATOM 0 HD2 PHE A 8 -3.752 6.702 -8.411 1.00 33.33 H new ATOM 0 HE1 PHE A 8 -4.995 4.111 -4.418 1.00 21.11 H new ATOM 0 HE2 PHE A 8 -5.355 7.629 -6.797 1.00 34.13 H new ATOM 0 HZ PHE A 8 -5.984 6.334 -4.800 1.00 31.33 H new ATOM 143 N GLY A 9 -0.957 2.264 -9.642 1.00 30.42 N ATOM 144 CA GLY A 9 0.127 1.699 -10.424 1.00 24.03 C ATOM 145 C GLY A 9 0.742 2.707 -11.375 1.00 21.52 C ATOM 146 O GLY A 9 1.083 2.371 -12.509 1.00 61.25 O ATOM 0 H GLY A 9 -0.818 2.233 -8.632 1.00 30.42 H new ATOM 0 HA2 GLY A 9 0.897 1.321 -9.752 1.00 24.03 H new ATOM 0 HA3 GLY A 9 -0.245 0.847 -10.993 1.00 24.03 H new ATOM 150 N ILE A 10 0.882 3.944 -10.913 1.00 44.51 N ATOM 151 CA ILE A 10 1.459 5.004 -11.732 1.00 25.45 C ATOM 152 C ILE A 10 2.973 4.851 -11.841 1.00 12.21 C ATOM 153 O ILE A 10 3.589 5.334 -12.791 1.00 43.22 O ATOM 154 CB ILE A 10 1.135 6.397 -11.160 1.00 61.41 C ATOM 155 CG1 ILE A 10 -0.379 6.591 -11.061 1.00 12.11 C ATOM 156 CG2 ILE A 10 1.759 7.482 -12.025 1.00 14.01 C ATOM 157 CD1 ILE A 10 -0.780 7.838 -10.304 1.00 41.23 C ATOM 0 H ILE A 10 0.604 4.238 -9.977 1.00 44.51 H new ATOM 0 HA ILE A 10 1.014 4.915 -12.723 1.00 25.45 H new ATOM 0 HB ILE A 10 1.558 6.471 -10.158 1.00 61.41 H new ATOM 0 HG12 ILE A 10 -0.798 6.635 -12.066 1.00 12.11 H new ATOM 0 HG13 ILE A 10 -0.817 5.722 -10.571 1.00 12.11 H new ATOM 0 HG21 ILE A 10 1.522 8.461 -11.608 1.00 14.01 H new ATOM 0 HG22 ILE A 10 2.841 7.351 -12.049 1.00 14.01 H new ATOM 0 HG23 ILE A 10 1.362 7.413 -13.038 1.00 14.01 H new ATOM 0 HD11 ILE A 10 -1.867 7.911 -10.273 1.00 41.23 H new ATOM 0 HD12 ILE A 10 -0.391 7.787 -9.287 1.00 41.23 H new ATOM 0 HD13 ILE A 10 -0.371 8.715 -10.805 1.00 41.23 H new ATOM 169 N HIS A 11 3.566 4.175 -10.863 1.00 22.45 N ATOM 170 CA HIS A 11 5.008 3.956 -10.850 1.00 22.32 C ATOM 171 C HIS A 11 5.336 2.484 -11.083 1.00 44.12 C ATOM 172 O HIS A 11 5.790 1.787 -10.175 1.00 34.43 O ATOM 173 CB HIS A 11 5.604 4.418 -9.520 1.00 11.41 C ATOM 174 CG HIS A 11 4.865 3.906 -8.322 1.00 53.31 C ATOM 175 ND1 HIS A 11 5.277 2.809 -7.595 1.00 42.44 N ATOM 176 CD2 HIS A 11 3.734 4.349 -7.724 1.00 21.33 C ATOM 177 CE1 HIS A 11 4.431 2.598 -6.603 1.00 4.21 C ATOM 178 NE2 HIS A 11 3.486 3.519 -6.658 1.00 71.21 N ATOM 0 H HIS A 11 3.071 3.769 -10.069 1.00 22.45 H new ATOM 0 HA HIS A 11 5.446 4.541 -11.659 1.00 22.32 H new ATOM 0 HB2 HIS A 11 6.642 4.091 -9.463 1.00 11.41 H new ATOM 0 HB3 HIS A 11 5.611 5.508 -9.494 1.00 11.41 H new ATOM 0 HD2 HIS A 11 3.138 5.197 -8.028 1.00 21.33 H new ATOM 0 HE1 HIS A 11 4.500 1.807 -5.871 1.00 4.21 H new ATOM 0 HE2 HIS A 11 2.700 3.601 -6.014 1.00 71.21 H new ATOM 186 N LEU A 12 5.104 2.018 -12.305 1.00 62.13 N ATOM 187 CA LEU A 12 5.375 0.628 -12.658 1.00 55.43 C ATOM 188 C LEU A 12 6.862 0.413 -12.921 1.00 35.44 C ATOM 189 O LEU A 12 7.412 0.929 -13.893 1.00 33.23 O ATOM 190 CB LEU A 12 4.564 0.228 -13.892 1.00 50.23 C ATOM 191 CG LEU A 12 4.990 -1.067 -14.584 1.00 31.31 C ATOM 192 CD1 LEU A 12 4.779 -2.259 -13.663 1.00 13.44 C ATOM 193 CD2 LEU A 12 4.223 -1.254 -15.885 1.00 21.30 C ATOM 0 H LEU A 12 4.729 2.582 -13.068 1.00 62.13 H new ATOM 0 HA LEU A 12 5.079 0.001 -11.817 1.00 55.43 H new ATOM 0 HB2 LEU A 12 3.518 0.133 -13.600 1.00 50.23 H new ATOM 0 HB3 LEU A 12 4.620 1.040 -14.618 1.00 50.23 H new ATOM 0 HG LEU A 12 6.052 -0.998 -14.818 1.00 31.31 H new ATOM 0 HD11 LEU A 12 5.088 -3.172 -14.173 1.00 13.44 H new ATOM 0 HD12 LEU A 12 5.373 -2.130 -12.759 1.00 13.44 H new ATOM 0 HD13 LEU A 12 3.724 -2.331 -13.397 1.00 13.44 H new ATOM 0 HD21 LEU A 12 4.539 -2.181 -16.364 1.00 21.30 H new ATOM 0 HD22 LEU A 12 3.155 -1.301 -15.674 1.00 21.30 H new ATOM 0 HD23 LEU A 12 4.425 -0.415 -16.550 1.00 21.30 H new ATOM 205 N ALA A 13 7.506 -0.355 -12.048 1.00 33.31 N ATOM 206 CA ALA A 13 8.928 -0.643 -12.187 1.00 73.25 C ATOM 207 C ALA A 13 9.152 -2.040 -12.756 1.00 72.15 C ATOM 208 O ALA A 13 9.476 -2.976 -12.024 1.00 50.14 O ATOM 209 CB ALA A 13 9.630 -0.499 -10.845 1.00 73.03 C ATOM 0 H ALA A 13 7.065 -0.789 -11.237 1.00 33.31 H new ATOM 0 HA ALA A 13 9.353 0.078 -12.886 1.00 73.25 H new ATOM 0 HB1 ALA A 13 10.691 -0.717 -10.964 1.00 73.03 H new ATOM 0 HB2 ALA A 13 9.508 0.520 -10.478 1.00 73.03 H new ATOM 0 HB3 ALA A 13 9.194 -1.197 -10.130 1.00 73.03 H new ATOM 215 N THR A 14 8.976 -2.175 -14.067 1.00 64.44 N ATOM 216 CA THR A 14 9.158 -3.459 -14.734 1.00 54.53 C ATOM 217 C THR A 14 10.557 -3.577 -15.328 1.00 14.01 C ATOM 218 O THR A 14 10.770 -4.302 -16.299 1.00 3.32 O ATOM 219 CB THR A 14 8.119 -3.662 -15.853 1.00 54.32 C ATOM 220 OG1 THR A 14 8.235 -4.982 -16.396 1.00 41.41 O ATOM 221 CG2 THR A 14 8.307 -2.635 -16.959 1.00 53.53 C ATOM 0 H THR A 14 8.708 -1.411 -14.688 1.00 64.44 H new ATOM 0 HA THR A 14 9.022 -4.231 -13.977 1.00 54.53 H new ATOM 0 HB THR A 14 7.126 -3.532 -15.424 1.00 54.32 H new ATOM 0 HG1 THR A 14 9.176 -5.173 -16.593 1.00 41.41 H new ATOM 0 HG21 THR A 14 7.562 -2.798 -17.738 1.00 53.53 H new ATOM 0 HG22 THR A 14 8.189 -1.632 -16.548 1.00 53.53 H new ATOM 0 HG23 THR A 14 9.305 -2.737 -17.385 1.00 53.53 H new ATOM 229 N GLY A 15 11.508 -2.860 -14.737 1.00 60.02 N ATOM 230 CA GLY A 15 12.875 -2.900 -15.222 1.00 4.35 C ATOM 231 C GLY A 15 13.777 -3.747 -14.345 1.00 54.21 C ATOM 232 O GLY A 15 14.004 -4.923 -14.629 1.00 23.54 O ATOM 0 H GLY A 15 11.356 -2.253 -13.932 1.00 60.02 H new ATOM 0 HA2 GLY A 15 12.885 -3.295 -16.238 1.00 4.35 H new ATOM 0 HA3 GLY A 15 13.270 -1.885 -15.271 1.00 4.35 H new ATOM 236 N THR A 16 14.293 -3.148 -13.277 1.00 5.04 N ATOM 237 CA THR A 16 15.177 -3.854 -12.357 1.00 42.25 C ATOM 238 C THR A 16 14.465 -4.177 -11.049 1.00 50.00 C ATOM 239 O THR A 16 14.768 -5.175 -10.396 1.00 63.24 O ATOM 240 CB THR A 16 16.442 -3.030 -12.050 1.00 62.35 C ATOM 241 OG1 THR A 16 17.068 -2.620 -13.271 1.00 62.43 O ATOM 242 CG2 THR A 16 17.425 -3.839 -11.217 1.00 41.31 C ATOM 0 H THR A 16 14.114 -2.175 -13.027 1.00 5.04 H new ATOM 0 HA THR A 16 15.467 -4.783 -12.848 1.00 42.25 H new ATOM 0 HB THR A 16 16.146 -2.149 -11.481 1.00 62.35 H new ATOM 0 HG1 THR A 16 17.870 -2.095 -13.067 1.00 62.43 H new ATOM 0 HG21 THR A 16 18.310 -3.237 -11.013 1.00 41.31 H new ATOM 0 HG22 THR A 16 16.955 -4.125 -10.276 1.00 41.31 H new ATOM 0 HG23 THR A 16 17.715 -4.736 -11.765 1.00 41.31 H new ATOM 250 N ALA A 17 13.516 -3.326 -10.672 1.00 21.55 N ATOM 251 CA ALA A 17 12.759 -3.524 -9.442 1.00 13.31 C ATOM 252 C ALA A 17 12.088 -4.893 -9.424 1.00 55.20 C ATOM 253 O ALA A 17 11.816 -5.448 -8.359 1.00 44.21 O ATOM 254 CB ALA A 17 11.721 -2.423 -9.279 1.00 10.11 C ATOM 0 H ALA A 17 13.253 -2.494 -11.200 1.00 21.55 H new ATOM 0 HA ALA A 17 13.455 -3.479 -8.605 1.00 13.31 H new ATOM 0 HB1 ALA A 17 11.163 -2.583 -8.357 1.00 10.11 H new ATOM 0 HB2 ALA A 17 12.221 -1.455 -9.238 1.00 10.11 H new ATOM 0 HB3 ALA A 17 11.035 -2.441 -10.126 1.00 10.11 H new ATOM 260 N ARG A 18 11.821 -5.432 -10.609 1.00 45.34 N ATOM 261 CA ARG A 18 11.180 -6.735 -10.729 1.00 70.42 C ATOM 262 C ARG A 18 11.991 -7.809 -10.009 1.00 42.23 C ATOM 263 O ARG A 18 11.465 -8.543 -9.172 1.00 65.14 O ATOM 264 CB ARG A 18 11.011 -7.111 -12.203 1.00 3.04 C ATOM 265 CG ARG A 18 9.695 -6.646 -12.803 1.00 35.03 C ATOM 266 CD ARG A 18 8.538 -7.530 -12.361 1.00 43.43 C ATOM 267 NE ARG A 18 8.517 -8.802 -13.078 1.00 50.22 N ATOM 268 CZ ARG A 18 7.642 -9.770 -12.830 1.00 64.53 C ATOM 269 NH1 ARG A 18 6.722 -9.612 -11.889 1.00 24.52 N ATOM 270 NH2 ARG A 18 7.687 -10.900 -13.525 1.00 52.13 N ATOM 0 H ARG A 18 12.039 -4.986 -11.500 1.00 45.34 H new ATOM 0 HA ARG A 18 10.197 -6.672 -10.262 1.00 70.42 H new ATOM 0 HB2 ARG A 18 11.833 -6.682 -12.775 1.00 3.04 H new ATOM 0 HB3 ARG A 18 11.084 -8.194 -12.304 1.00 3.04 H new ATOM 0 HG2 ARG A 18 9.502 -5.616 -12.505 1.00 35.03 H new ATOM 0 HG3 ARG A 18 9.766 -6.655 -13.891 1.00 35.03 H new ATOM 0 HD2 ARG A 18 8.614 -7.719 -11.290 1.00 43.43 H new ATOM 0 HD3 ARG A 18 7.597 -7.005 -12.526 1.00 43.43 H new ATOM 0 HE ARG A 18 9.212 -8.955 -13.809 1.00 50.22 H new ATOM 0 HH11 ARG A 18 6.685 -8.745 -11.353 1.00 24.52 H new ATOM 0 HH12 ARG A 18 6.051 -10.357 -11.701 1.00 24.52 H new ATOM 0 HH21 ARG A 18 8.394 -11.025 -14.250 1.00 52.13 H new ATOM 0 HH22 ARG A 18 7.015 -11.643 -13.334 1.00 52.13 H new ATOM 284 N LYS A 19 13.275 -7.895 -10.341 1.00 11.41 N ATOM 285 CA LYS A 19 14.160 -8.877 -9.727 1.00 3.14 C ATOM 286 C LYS A 19 14.171 -8.725 -8.209 1.00 23.51 C ATOM 287 O LYS A 19 14.451 -9.679 -7.482 1.00 31.54 O ATOM 288 CB LYS A 19 15.581 -8.727 -10.275 1.00 41.21 C ATOM 289 CG LYS A 19 15.667 -8.859 -11.786 1.00 21.52 C ATOM 290 CD LYS A 19 16.770 -7.987 -12.360 1.00 42.33 C ATOM 291 CE LYS A 19 17.242 -8.502 -13.711 1.00 52.25 C ATOM 292 NZ LYS A 19 18.626 -8.051 -14.025 1.00 0.33 N ATOM 0 H LYS A 19 13.726 -7.296 -11.032 1.00 11.41 H new ATOM 0 HA LYS A 19 13.785 -9.871 -9.973 1.00 3.14 H new ATOM 0 HB2 LYS A 19 15.974 -7.754 -9.981 1.00 41.21 H new ATOM 0 HB3 LYS A 19 16.220 -9.481 -9.816 1.00 41.21 H new ATOM 0 HG2 LYS A 19 15.850 -9.900 -12.051 1.00 21.52 H new ATOM 0 HG3 LYS A 19 14.712 -8.580 -12.231 1.00 21.52 H new ATOM 0 HD2 LYS A 19 16.409 -6.964 -12.465 1.00 42.33 H new ATOM 0 HD3 LYS A 19 17.610 -7.958 -11.667 1.00 42.33 H new ATOM 0 HE2 LYS A 19 17.205 -9.591 -13.717 1.00 52.25 H new ATOM 0 HE3 LYS A 19 16.562 -8.156 -14.489 1.00 52.25 H new ATOM 0 HZ1 LYS A 19 18.910 -8.423 -14.954 1.00 0.33 H new ATOM 0 HZ2 LYS A 19 18.656 -7.012 -14.044 1.00 0.33 H new ATOM 0 HZ3 LYS A 19 19.279 -8.403 -13.296 1.00 0.33 H new ATOM 306 N LEU A 20 13.864 -7.522 -7.737 1.00 23.32 N ATOM 307 CA LEU A 20 13.837 -7.246 -6.305 1.00 23.44 C ATOM 308 C LEU A 20 12.502 -7.660 -5.695 1.00 74.54 C ATOM 309 O LEU A 20 12.458 -8.281 -4.632 1.00 74.13 O ATOM 310 CB LEU A 20 14.090 -5.760 -6.047 1.00 15.13 C ATOM 311 CG LEU A 20 15.545 -5.300 -6.139 1.00 30.23 C ATOM 312 CD1 LEU A 20 15.622 -3.783 -6.213 1.00 31.15 C ATOM 313 CD2 LEU A 20 16.344 -5.820 -4.952 1.00 43.55 C ATOM 0 H LEU A 20 13.630 -6.722 -8.325 1.00 23.32 H new ATOM 0 HA LEU A 20 14.627 -7.830 -5.833 1.00 23.44 H new ATOM 0 HB2 LEU A 20 13.502 -5.183 -6.761 1.00 15.13 H new ATOM 0 HB3 LEU A 20 13.715 -5.516 -5.053 1.00 15.13 H new ATOM 0 HG LEU A 20 15.979 -5.709 -7.051 1.00 30.23 H new ATOM 0 HD11 LEU A 20 16.665 -3.474 -6.278 1.00 31.15 H new ATOM 0 HD12 LEU A 20 15.085 -3.434 -7.095 1.00 31.15 H new ATOM 0 HD13 LEU A 20 15.171 -3.352 -5.319 1.00 31.15 H new ATOM 0 HD21 LEU A 20 17.377 -5.483 -5.033 1.00 43.55 H new ATOM 0 HD22 LEU A 20 15.910 -5.440 -4.027 1.00 43.55 H new ATOM 0 HD23 LEU A 20 16.317 -6.910 -4.945 1.00 43.55 H new ATOM 325 N LEU A 21 11.415 -7.315 -6.376 1.00 75.12 N ATOM 326 CA LEU A 21 10.076 -7.653 -5.904 1.00 3.14 C ATOM 327 C LEU A 21 9.915 -9.163 -5.758 1.00 50.35 C ATOM 328 O LEU A 21 9.026 -9.637 -5.051 1.00 1.21 O ATOM 329 CB LEU A 21 9.021 -7.106 -6.866 1.00 51.13 C ATOM 330 CG LEU A 21 7.874 -6.321 -6.229 1.00 52.21 C ATOM 331 CD1 LEU A 21 6.837 -5.945 -7.277 1.00 23.43 C ATOM 332 CD2 LEU A 21 7.234 -7.127 -5.108 1.00 50.21 C ATOM 0 H LEU A 21 11.434 -6.801 -7.257 1.00 75.12 H new ATOM 0 HA LEU A 21 9.937 -7.195 -4.925 1.00 3.14 H new ATOM 0 HB2 LEU A 21 9.518 -6.461 -7.590 1.00 51.13 H new ATOM 0 HB3 LEU A 21 8.597 -7.942 -7.422 1.00 51.13 H new ATOM 0 HG LEU A 21 8.280 -5.403 -5.804 1.00 52.21 H new ATOM 0 HD11 LEU A 21 6.028 -5.387 -6.805 1.00 23.43 H new ATOM 0 HD12 LEU A 21 7.303 -5.328 -8.045 1.00 23.43 H new ATOM 0 HD13 LEU A 21 6.435 -6.850 -7.733 1.00 23.43 H new ATOM 0 HD21 LEU A 21 6.420 -6.553 -4.666 1.00 50.21 H new ATOM 0 HD22 LEU A 21 6.843 -8.062 -5.510 1.00 50.21 H new ATOM 0 HD23 LEU A 21 7.981 -7.345 -4.344 1.00 50.21 H new ATOM 344 N ASP A 22 10.781 -9.912 -6.431 1.00 62.22 N ATOM 345 CA ASP A 22 10.737 -11.369 -6.375 1.00 2.22 C ATOM 346 C ASP A 22 11.597 -11.894 -5.230 1.00 22.53 C ATOM 347 O ASP A 22 11.834 -13.097 -5.120 1.00 44.00 O ATOM 348 CB ASP A 22 11.211 -11.966 -7.701 1.00 33.33 C ATOM 349 CG ASP A 22 10.980 -13.463 -7.776 1.00 44.13 C ATOM 350 OD1 ASP A 22 9.822 -13.874 -7.997 1.00 63.12 O ATOM 351 OD2 ASP A 22 11.958 -14.223 -7.614 1.00 1.03 O ATOM 0 H ASP A 22 11.522 -9.535 -7.022 1.00 62.22 H new ATOM 0 HA ASP A 22 9.705 -11.671 -6.198 1.00 2.22 H new ATOM 0 HB2 ASP A 22 10.688 -11.479 -8.524 1.00 33.33 H new ATOM 0 HB3 ASP A 22 12.273 -11.758 -7.831 1.00 33.33 H new ATOM 356 N ALA A 23 12.062 -10.985 -4.380 1.00 3.22 N ATOM 357 CA ALA A 23 12.895 -11.357 -3.243 1.00 2.31 C ATOM 358 C ALA A 23 12.459 -10.623 -1.979 1.00 74.23 C ATOM 359 O ALA A 23 12.327 -11.226 -0.914 1.00 11.43 O ATOM 360 CB ALA A 23 14.358 -11.069 -3.544 1.00 5.51 C ATOM 0 H ALA A 23 11.876 -9.985 -4.457 1.00 3.22 H new ATOM 0 HA ALA A 23 12.774 -12.427 -3.071 1.00 2.31 H new ATOM 0 HB1 ALA A 23 14.968 -11.352 -2.686 1.00 5.51 H new ATOM 0 HB2 ALA A 23 14.670 -11.643 -4.416 1.00 5.51 H new ATOM 0 HB3 ALA A 23 14.486 -10.005 -3.745 1.00 5.51 H new ATOM 366 N VAL A 24 12.236 -9.319 -2.105 1.00 11.32 N ATOM 367 CA VAL A 24 11.814 -8.503 -0.973 1.00 13.24 C ATOM 368 C VAL A 24 10.500 -9.011 -0.389 1.00 10.50 C ATOM 369 O VAL A 24 10.274 -8.933 0.818 1.00 2.22 O ATOM 370 CB VAL A 24 11.647 -7.026 -1.376 1.00 54.15 C ATOM 371 CG1 VAL A 24 12.967 -6.454 -1.868 1.00 44.13 C ATOM 372 CG2 VAL A 24 10.566 -6.883 -2.438 1.00 21.22 C ATOM 0 H VAL A 24 12.341 -8.805 -2.980 1.00 11.32 H new ATOM 0 HA VAL A 24 12.597 -8.579 -0.219 1.00 13.24 H new ATOM 0 HB VAL A 24 11.339 -6.460 -0.497 1.00 54.15 H new ATOM 0 HG11 VAL A 24 12.829 -5.410 -2.148 1.00 44.13 H new ATOM 0 HG12 VAL A 24 13.711 -6.522 -1.074 1.00 44.13 H new ATOM 0 HG13 VAL A 24 13.308 -7.020 -2.735 1.00 44.13 H new ATOM 0 HG21 VAL A 24 10.461 -5.833 -2.711 1.00 21.22 H new ATOM 0 HG22 VAL A 24 10.843 -7.461 -3.319 1.00 21.22 H new ATOM 0 HG23 VAL A 24 9.619 -7.252 -2.045 1.00 21.22 H new ATOM 382 N ALA A 25 9.636 -9.531 -1.255 1.00 2.04 N ATOM 383 CA ALA A 25 8.345 -10.054 -0.825 1.00 24.21 C ATOM 384 C ALA A 25 8.519 -11.165 0.206 1.00 53.51 C ATOM 385 O ALA A 25 7.604 -11.459 0.975 1.00 52.01 O ATOM 386 CB ALA A 25 7.556 -10.562 -2.023 1.00 4.23 C ATOM 0 H ALA A 25 9.807 -9.601 -2.258 1.00 2.04 H new ATOM 0 HA ALA A 25 7.789 -9.242 -0.356 1.00 24.21 H new ATOM 0 HB1 ALA A 25 6.594 -10.950 -1.687 1.00 4.23 H new ATOM 0 HB2 ALA A 25 7.393 -9.744 -2.725 1.00 4.23 H new ATOM 0 HB3 ALA A 25 8.115 -11.357 -2.516 1.00 4.23 H new ATOM 392 N SER A 26 9.698 -11.778 0.215 1.00 32.04 N ATOM 393 CA SER A 26 9.989 -12.860 1.149 1.00 2.41 C ATOM 394 C SER A 26 10.882 -12.371 2.285 1.00 3.43 C ATOM 395 O SER A 26 10.875 -12.931 3.381 1.00 40.43 O ATOM 396 CB SER A 26 10.664 -14.023 0.420 1.00 75.30 C ATOM 397 OG SER A 26 10.960 -15.082 1.314 1.00 4.11 O ATOM 0 H SER A 26 10.467 -11.544 -0.413 1.00 32.04 H new ATOM 0 HA SER A 26 9.046 -13.204 1.573 1.00 2.41 H new ATOM 0 HB2 SER A 26 10.012 -14.385 -0.375 1.00 75.30 H new ATOM 0 HB3 SER A 26 11.582 -13.676 -0.054 1.00 75.30 H new ATOM 0 HG SER A 26 11.389 -15.814 0.824 1.00 4.11 H new ATOM 403 N GLY A 27 11.652 -11.320 2.015 1.00 72.40 N ATOM 404 CA GLY A 27 12.540 -10.773 3.023 1.00 3.42 C ATOM 405 C GLY A 27 13.106 -9.423 2.626 1.00 33.34 C ATOM 406 O GLY A 27 14.288 -9.308 2.306 1.00 23.33 O ATOM 0 H GLY A 27 11.676 -10.839 1.116 1.00 72.40 H new ATOM 0 HA2 GLY A 27 11.999 -10.674 3.964 1.00 3.42 H new ATOM 0 HA3 GLY A 27 13.360 -11.470 3.198 1.00 3.42 H new ATOM 410 N ALA A 28 12.258 -8.400 2.646 1.00 44.42 N ATOM 411 CA ALA A 28 12.680 -7.052 2.286 1.00 45.24 C ATOM 412 C ALA A 28 13.595 -6.459 3.353 1.00 72.35 C ATOM 413 O ALA A 28 13.148 -5.709 4.220 1.00 53.33 O ATOM 414 CB ALA A 28 11.468 -6.158 2.072 1.00 74.32 C ATOM 0 H ALA A 28 11.275 -8.479 2.908 1.00 44.42 H new ATOM 0 HA ALA A 28 13.243 -7.112 1.354 1.00 45.24 H new ATOM 0 HB1 ALA A 28 11.799 -5.155 1.804 1.00 74.32 H new ATOM 0 HB2 ALA A 28 10.853 -6.564 1.269 1.00 74.32 H new ATOM 0 HB3 ALA A 28 10.882 -6.114 2.990 1.00 74.32 H new ATOM 420 N SER A 29 14.877 -6.802 3.283 1.00 22.12 N ATOM 421 CA SER A 29 15.854 -6.307 4.246 1.00 32.44 C ATOM 422 C SER A 29 16.906 -5.444 3.558 1.00 3.31 C ATOM 423 O SER A 29 17.784 -4.876 4.210 1.00 52.01 O ATOM 424 CB SER A 29 16.529 -7.476 4.967 1.00 74.43 C ATOM 425 OG SER A 29 17.237 -8.297 4.054 1.00 30.11 O ATOM 0 H SER A 29 15.263 -7.420 2.570 1.00 22.12 H new ATOM 0 HA SER A 29 15.328 -5.694 4.977 1.00 32.44 H new ATOM 0 HB2 SER A 29 17.214 -7.094 5.724 1.00 74.43 H new ATOM 0 HB3 SER A 29 15.777 -8.069 5.487 1.00 74.43 H new ATOM 0 HG SER A 29 17.661 -9.036 4.539 1.00 30.11 H new ATOM 431 N LEU A 30 16.812 -5.349 2.236 1.00 3.14 N ATOM 432 CA LEU A 30 17.756 -4.554 1.457 1.00 33.52 C ATOM 433 C LEU A 30 17.781 -3.109 1.943 1.00 44.21 C ATOM 434 O LEU A 30 16.754 -2.557 2.336 1.00 45.35 O ATOM 435 CB LEU A 30 17.387 -4.600 -0.027 1.00 0.53 C ATOM 436 CG LEU A 30 18.329 -5.398 -0.928 1.00 72.43 C ATOM 437 CD1 LEU A 30 19.760 -4.910 -0.771 1.00 25.34 C ATOM 438 CD2 LEU A 30 18.233 -6.885 -0.616 1.00 54.32 C ATOM 0 H LEU A 30 16.092 -5.812 1.681 1.00 3.14 H new ATOM 0 HA LEU A 30 18.751 -4.979 1.591 1.00 33.52 H new ATOM 0 HB2 LEU A 30 16.386 -5.021 -0.119 1.00 0.53 H new ATOM 0 HB3 LEU A 30 17.339 -3.577 -0.401 1.00 0.53 H new ATOM 0 HG LEU A 30 18.027 -5.244 -1.964 1.00 72.43 H new ATOM 0 HD11 LEU A 30 20.416 -5.490 -1.420 1.00 25.34 H new ATOM 0 HD12 LEU A 30 19.817 -3.857 -1.045 1.00 25.34 H new ATOM 0 HD13 LEU A 30 20.075 -5.033 0.265 1.00 25.34 H new ATOM 0 HD21 LEU A 30 18.910 -7.438 -1.267 1.00 54.32 H new ATOM 0 HD22 LEU A 30 18.509 -7.057 0.424 1.00 54.32 H new ATOM 0 HD23 LEU A 30 17.211 -7.226 -0.782 1.00 54.32 H new ATOM 450 N GLY A 31 18.963 -2.500 1.911 1.00 1.11 N ATOM 451 CA GLY A 31 19.100 -1.123 2.349 1.00 61.03 C ATOM 452 C GLY A 31 19.625 -0.216 1.253 1.00 21.14 C ATOM 453 O GLY A 31 19.467 1.004 1.317 1.00 22.40 O ATOM 0 H GLY A 31 19.828 -2.936 1.590 1.00 1.11 H new ATOM 0 HA2 GLY A 31 18.132 -0.755 2.689 1.00 61.03 H new ATOM 0 HA3 GLY A 31 19.774 -1.082 3.204 1.00 61.03 H new ATOM 457 N THR A 32 20.254 -0.812 0.245 1.00 51.34 N ATOM 458 CA THR A 32 20.807 -0.050 -0.868 1.00 13.31 C ATOM 459 C THR A 32 19.989 -0.258 -2.137 1.00 53.13 C ATOM 460 O THR A 32 19.783 0.674 -2.914 1.00 61.03 O ATOM 461 CB THR A 32 22.271 -0.441 -1.144 1.00 53.03 C ATOM 462 OG1 THR A 32 22.960 -0.662 0.091 1.00 4.30 O ATOM 463 CG2 THR A 32 22.980 0.644 -1.940 1.00 51.41 C ATOM 0 H THR A 32 20.393 -1.820 0.176 1.00 51.34 H new ATOM 0 HA THR A 32 20.767 1.001 -0.582 1.00 13.31 H new ATOM 0 HB THR A 32 22.274 -1.360 -1.730 1.00 53.03 H new ATOM 0 HG1 THR A 32 23.890 -0.912 -0.093 1.00 4.30 H new ATOM 0 HG21 THR A 32 24.012 0.345 -2.123 1.00 51.41 H new ATOM 0 HG22 THR A 32 22.470 0.789 -2.892 1.00 51.41 H new ATOM 0 HG23 THR A 32 22.966 1.577 -1.376 1.00 51.41 H new ATOM 471 N ALA A 33 19.524 -1.486 -2.341 1.00 75.01 N ATOM 472 CA ALA A 33 18.725 -1.815 -3.515 1.00 62.43 C ATOM 473 C ALA A 33 17.293 -1.315 -3.363 1.00 52.13 C ATOM 474 O ALA A 33 16.599 -1.078 -4.352 1.00 60.15 O ATOM 475 CB ALA A 33 18.739 -3.317 -3.758 1.00 75.33 C ATOM 0 H ALA A 33 19.687 -2.269 -1.708 1.00 75.01 H new ATOM 0 HA ALA A 33 19.167 -1.314 -4.376 1.00 62.43 H new ATOM 0 HB1 ALA A 33 18.138 -3.549 -4.638 1.00 75.33 H new ATOM 0 HB2 ALA A 33 19.764 -3.650 -3.920 1.00 75.33 H new ATOM 0 HB3 ALA A 33 18.324 -3.830 -2.890 1.00 75.33 H new ATOM 481 N PHE A 34 16.855 -1.156 -2.119 1.00 23.44 N ATOM 482 CA PHE A 34 15.504 -0.685 -1.837 1.00 61.52 C ATOM 483 C PHE A 34 15.419 0.832 -1.967 1.00 41.53 C ATOM 484 O PHE A 34 14.394 1.374 -2.380 1.00 1.34 O ATOM 485 CB PHE A 34 15.074 -1.113 -0.432 1.00 64.14 C ATOM 486 CG PHE A 34 13.596 -1.341 -0.301 1.00 74.33 C ATOM 487 CD1 PHE A 34 12.945 -2.245 -1.126 1.00 50.10 C ATOM 488 CD2 PHE A 34 12.856 -0.653 0.647 1.00 43.32 C ATOM 489 CE1 PHE A 34 11.584 -2.456 -1.008 1.00 2.01 C ATOM 490 CE2 PHE A 34 11.495 -0.860 0.770 1.00 42.02 C ATOM 491 CZ PHE A 34 10.859 -1.764 -0.058 1.00 53.31 C ATOM 0 H PHE A 34 17.416 -1.347 -1.289 1.00 23.44 H new ATOM 0 HA PHE A 34 14.830 -1.133 -2.567 1.00 61.52 H new ATOM 0 HB2 PHE A 34 15.600 -2.029 -0.163 1.00 64.14 H new ATOM 0 HB3 PHE A 34 15.380 -0.348 0.282 1.00 64.14 H new ATOM 0 HD1 PHE A 34 13.507 -2.791 -1.869 1.00 50.10 H new ATOM 0 HD2 PHE A 34 13.349 0.054 1.298 1.00 43.32 H new ATOM 0 HE1 PHE A 34 11.088 -3.161 -1.658 1.00 2.01 H new ATOM 0 HE2 PHE A 34 10.930 -0.316 1.512 1.00 42.02 H new ATOM 0 HZ PHE A 34 9.796 -1.930 0.037 1.00 53.31 H new ATOM 501 N ALA A 35 16.504 1.512 -1.612 1.00 2.51 N ATOM 502 CA ALA A 35 16.554 2.967 -1.690 1.00 12.22 C ATOM 503 C ALA A 35 16.763 3.433 -3.127 1.00 11.13 C ATOM 504 O ALA A 35 16.435 4.567 -3.475 1.00 73.35 O ATOM 505 CB ALA A 35 17.657 3.507 -0.792 1.00 65.51 C ATOM 0 H ALA A 35 17.361 1.079 -1.267 1.00 2.51 H new ATOM 0 HA ALA A 35 15.597 3.357 -1.345 1.00 12.22 H new ATOM 0 HB1 ALA A 35 17.682 4.595 -0.861 1.00 65.51 H new ATOM 0 HB2 ALA A 35 17.463 3.213 0.240 1.00 65.51 H new ATOM 0 HB3 ALA A 35 18.617 3.101 -1.111 1.00 65.51 H new ATOM 511 N ALA A 36 17.312 2.551 -3.956 1.00 14.31 N ATOM 512 CA ALA A 36 17.563 2.872 -5.355 1.00 42.42 C ATOM 513 C ALA A 36 16.290 2.744 -6.185 1.00 44.23 C ATOM 514 O ALA A 36 16.219 3.241 -7.310 1.00 10.23 O ATOM 515 CB ALA A 36 18.654 1.972 -5.916 1.00 30.34 C ATOM 0 H ALA A 36 17.591 1.609 -3.683 1.00 14.31 H new ATOM 0 HA ALA A 36 17.898 3.908 -5.410 1.00 42.42 H new ATOM 0 HB1 ALA A 36 18.831 2.223 -6.962 1.00 30.34 H new ATOM 0 HB2 ALA A 36 19.573 2.117 -5.348 1.00 30.34 H new ATOM 0 HB3 ALA A 36 18.341 0.931 -5.841 1.00 30.34 H new ATOM 521 N ILE A 37 15.289 2.075 -5.625 1.00 30.34 N ATOM 522 CA ILE A 37 14.019 1.882 -6.314 1.00 1.13 C ATOM 523 C ILE A 37 12.939 2.793 -5.741 1.00 10.51 C ATOM 524 O ILE A 37 12.016 3.202 -6.448 1.00 25.33 O ATOM 525 CB ILE A 37 13.544 0.420 -6.220 1.00 51.13 C ATOM 526 CG1 ILE A 37 13.513 -0.037 -4.760 1.00 51.43 C ATOM 527 CG2 ILE A 37 14.448 -0.484 -7.045 1.00 33.32 C ATOM 528 CD1 ILE A 37 12.872 -1.393 -4.565 1.00 11.21 C ATOM 0 H ILE A 37 15.332 1.657 -4.696 1.00 30.34 H new ATOM 0 HA ILE A 37 14.187 2.135 -7.361 1.00 1.13 H new ATOM 0 HB ILE A 37 12.533 0.355 -6.622 1.00 51.13 H new ATOM 0 HG12 ILE A 37 14.532 -0.067 -4.375 1.00 51.43 H new ATOM 0 HG13 ILE A 37 12.971 0.701 -4.168 1.00 51.43 H new ATOM 0 HG21 ILE A 37 14.100 -1.514 -6.969 1.00 33.32 H new ATOM 0 HG22 ILE A 37 14.423 -0.169 -8.088 1.00 33.32 H new ATOM 0 HG23 ILE A 37 15.469 -0.418 -6.670 1.00 33.32 H new ATOM 0 HD11 ILE A 37 12.885 -1.653 -3.506 1.00 11.21 H new ATOM 0 HD12 ILE A 37 11.841 -1.363 -4.919 1.00 11.21 H new ATOM 0 HD13 ILE A 37 13.427 -2.142 -5.129 1.00 11.21 H new ATOM 540 N LEU A 38 13.060 3.111 -4.457 1.00 24.44 N ATOM 541 CA LEU A 38 12.095 3.976 -3.788 1.00 4.42 C ATOM 542 C LEU A 38 12.579 5.423 -3.774 1.00 62.13 C ATOM 543 O LEU A 38 12.089 6.245 -3.001 1.00 25.21 O ATOM 544 CB LEU A 38 11.854 3.494 -2.356 1.00 61.04 C ATOM 545 CG LEU A 38 10.638 2.591 -2.148 1.00 73.04 C ATOM 546 CD1 LEU A 38 10.940 1.173 -2.609 1.00 3.52 C ATOM 547 CD2 LEU A 38 10.211 2.600 -0.688 1.00 34.41 C ATOM 0 H LEU A 38 13.817 2.782 -3.858 1.00 24.44 H new ATOM 0 HA LEU A 38 11.158 3.930 -4.343 1.00 4.42 H new ATOM 0 HB2 LEU A 38 12.742 2.958 -2.020 1.00 61.04 H new ATOM 0 HB3 LEU A 38 11.747 4.368 -1.713 1.00 61.04 H new ATOM 0 HG LEU A 38 9.815 2.978 -2.749 1.00 73.04 H new ATOM 0 HD11 LEU A 38 10.063 0.545 -2.453 1.00 3.52 H new ATOM 0 HD12 LEU A 38 11.196 1.182 -3.668 1.00 3.52 H new ATOM 0 HD13 LEU A 38 11.778 0.775 -2.036 1.00 3.52 H new ATOM 0 HD21 LEU A 38 9.344 1.952 -0.558 1.00 34.41 H new ATOM 0 HD22 LEU A 38 11.031 2.238 -0.067 1.00 34.41 H new ATOM 0 HD23 LEU A 38 9.952 3.616 -0.391 1.00 34.41 H new ATOM 559 N GLY A 39 13.543 5.727 -4.638 1.00 43.30 N ATOM 560 CA GLY A 39 14.076 7.075 -4.710 1.00 53.45 C ATOM 561 C GLY A 39 13.696 7.780 -5.997 1.00 54.54 C ATOM 562 O GLY A 39 13.875 8.992 -6.127 1.00 32.43 O ATOM 0 H GLY A 39 13.964 5.064 -5.289 1.00 43.30 H new ATOM 0 HA2 GLY A 39 13.711 7.653 -3.861 1.00 53.45 H new ATOM 0 HA3 GLY A 39 15.162 7.038 -4.626 1.00 53.45 H new ATOM 566 N VAL A 40 13.170 7.021 -6.954 1.00 3.14 N ATOM 567 CA VAL A 40 12.764 7.580 -8.237 1.00 44.25 C ATOM 568 C VAL A 40 11.423 8.295 -8.126 1.00 13.51 C ATOM 569 O VAL A 40 11.167 9.274 -8.829 1.00 1.04 O ATOM 570 CB VAL A 40 12.663 6.488 -9.319 1.00 20.14 C ATOM 571 CG1 VAL A 40 11.750 5.362 -8.857 1.00 10.43 C ATOM 572 CG2 VAL A 40 12.171 7.081 -10.630 1.00 75.10 C ATOM 0 H VAL A 40 13.015 6.017 -6.864 1.00 3.14 H new ATOM 0 HA VAL A 40 13.532 8.298 -8.526 1.00 44.25 H new ATOM 0 HB VAL A 40 13.657 6.073 -9.486 1.00 20.14 H new ATOM 0 HG11 VAL A 40 11.691 4.600 -9.634 1.00 10.43 H new ATOM 0 HG12 VAL A 40 12.151 4.920 -7.945 1.00 10.43 H new ATOM 0 HG13 VAL A 40 10.754 5.759 -8.661 1.00 10.43 H new ATOM 0 HG21 VAL A 40 12.106 6.295 -11.383 1.00 75.10 H new ATOM 0 HG22 VAL A 40 11.186 7.524 -10.482 1.00 75.10 H new ATOM 0 HG23 VAL A 40 12.868 7.849 -10.966 1.00 75.10 H new ATOM 582 N THR A 41 10.567 7.801 -7.237 1.00 13.12 N ATOM 583 CA THR A 41 9.250 8.392 -7.033 1.00 22.02 C ATOM 584 C THR A 41 8.908 8.474 -5.550 1.00 20.45 C ATOM 585 O THR A 41 8.352 9.469 -5.084 1.00 53.10 O ATOM 586 CB THR A 41 8.155 7.587 -7.757 1.00 52.12 C ATOM 587 OG1 THR A 41 6.861 8.062 -7.370 1.00 13.12 O ATOM 588 CG2 THR A 41 8.273 6.104 -7.438 1.00 54.34 C ATOM 0 H THR A 41 10.762 6.993 -6.646 1.00 13.12 H new ATOM 0 HA THR A 41 9.287 9.398 -7.451 1.00 22.02 H new ATOM 0 HB THR A 41 8.285 7.723 -8.831 1.00 52.12 H new ATOM 0 HG1 THR A 41 6.170 7.546 -7.836 1.00 13.12 H new ATOM 0 HG21 THR A 41 7.489 5.556 -7.961 1.00 54.34 H new ATOM 0 HG22 THR A 41 9.248 5.739 -7.761 1.00 54.34 H new ATOM 0 HG23 THR A 41 8.167 5.953 -6.364 1.00 54.34 H new ATOM 596 N LEU A 42 9.244 7.422 -4.811 1.00 61.20 N ATOM 597 CA LEU A 42 8.973 7.375 -3.378 1.00 71.34 C ATOM 598 C LEU A 42 9.950 8.259 -2.610 1.00 21.51 C ATOM 599 O LEU A 42 11.023 8.612 -3.100 1.00 31.12 O ATOM 600 CB LEU A 42 9.061 5.935 -2.870 1.00 24.24 C ATOM 601 CG LEU A 42 7.777 5.111 -2.961 1.00 34.33 C ATOM 602 CD1 LEU A 42 7.745 4.312 -4.255 1.00 2.14 C ATOM 603 CD2 LEU A 42 7.649 4.187 -1.758 1.00 64.43 C ATOM 0 H LEU A 42 9.705 6.590 -5.180 1.00 61.20 H new ATOM 0 HA LEU A 42 7.964 7.751 -3.211 1.00 71.34 H new ATOM 0 HB2 LEU A 42 9.840 5.420 -3.432 1.00 24.24 H new ATOM 0 HB3 LEU A 42 9.381 5.957 -1.828 1.00 24.24 H new ATOM 0 HG LEU A 42 6.929 5.796 -2.960 1.00 34.33 H new ATOM 0 HD11 LEU A 42 6.823 3.732 -4.302 1.00 2.14 H new ATOM 0 HD12 LEU A 42 7.788 4.994 -5.105 1.00 2.14 H new ATOM 0 HD13 LEU A 42 8.600 3.637 -4.287 1.00 2.14 H new ATOM 0 HD21 LEU A 42 6.729 3.608 -1.840 1.00 64.43 H new ATOM 0 HD22 LEU A 42 8.502 3.510 -1.727 1.00 64.43 H new ATOM 0 HD23 LEU A 42 7.624 4.781 -0.844 1.00 64.43 H new ATOM 615 N PRO A 43 9.573 8.623 -1.375 1.00 43.44 N ATOM 616 CA PRO A 43 10.403 9.468 -0.512 1.00 5.04 C ATOM 617 C PRO A 43 11.654 8.745 -0.022 1.00 53.04 C ATOM 618 O PRO A 43 11.967 7.647 -0.482 1.00 11.14 O ATOM 619 CB PRO A 43 9.478 9.791 0.664 1.00 30.12 C ATOM 620 CG PRO A 43 8.506 8.663 0.702 1.00 75.14 C ATOM 621 CD PRO A 43 8.308 8.239 -0.728 1.00 20.25 C ATOM 0 HA PRO A 43 10.771 10.349 -1.037 1.00 5.04 H new ATOM 0 HB2 PRO A 43 10.036 9.865 1.598 1.00 30.12 H new ATOM 0 HB3 PRO A 43 8.972 10.745 0.519 1.00 30.12 H new ATOM 0 HG2 PRO A 43 8.888 7.839 1.304 1.00 75.14 H new ATOM 0 HG3 PRO A 43 7.563 8.975 1.151 1.00 75.14 H new ATOM 0 HD2 PRO A 43 8.125 7.167 -0.808 1.00 20.25 H new ATOM 0 HD3 PRO A 43 7.455 8.743 -1.182 1.00 20.25 H new ATOM 629 N ALA A 44 12.364 9.368 0.912 1.00 23.23 N ATOM 630 CA ALA A 44 13.579 8.782 1.465 1.00 20.03 C ATOM 631 C ALA A 44 13.324 8.194 2.849 1.00 2.11 C ATOM 632 O ALA A 44 13.967 7.223 3.249 1.00 12.31 O ATOM 633 CB ALA A 44 14.686 9.824 1.528 1.00 62.30 C ATOM 0 H ALA A 44 12.119 10.278 1.302 1.00 23.23 H new ATOM 0 HA ALA A 44 13.894 7.972 0.807 1.00 20.03 H new ATOM 0 HB1 ALA A 44 15.587 9.373 1.943 1.00 62.30 H new ATOM 0 HB2 ALA A 44 14.895 10.194 0.524 1.00 62.30 H new ATOM 0 HB3 ALA A 44 14.370 10.652 2.162 1.00 62.30 H new ATOM 639 N TRP A 45 12.384 8.788 3.575 1.00 3.40 N ATOM 640 CA TRP A 45 12.046 8.323 4.915 1.00 13.23 C ATOM 641 C TRP A 45 11.389 6.948 4.864 1.00 11.24 C ATOM 642 O TRP A 45 11.513 6.156 5.798 1.00 15.33 O ATOM 643 CB TRP A 45 11.114 9.322 5.604 1.00 61.11 C ATOM 644 CG TRP A 45 9.768 9.425 4.953 1.00 71.30 C ATOM 645 CD1 TRP A 45 9.369 10.358 4.039 1.00 35.40 C ATOM 646 CD2 TRP A 45 8.644 8.564 5.168 1.00 1.12 C ATOM 647 NE1 TRP A 45 8.064 10.129 3.673 1.00 30.21 N ATOM 648 CE2 TRP A 45 7.597 9.034 4.351 1.00 62.20 C ATOM 649 CE3 TRP A 45 8.421 7.442 5.970 1.00 73.52 C ATOM 650 CZ2 TRP A 45 6.348 8.420 4.315 1.00 22.43 C ATOM 651 CZ3 TRP A 45 7.181 6.833 5.934 1.00 55.25 C ATOM 652 CH2 TRP A 45 6.157 7.322 5.111 1.00 43.45 C ATOM 0 H TRP A 45 11.842 9.592 3.258 1.00 3.40 H new ATOM 0 HA TRP A 45 12.969 8.243 5.489 1.00 13.23 H new ATOM 0 HB2 TRP A 45 10.984 9.028 6.646 1.00 61.11 H new ATOM 0 HB3 TRP A 45 11.585 10.305 5.606 1.00 61.11 H new ATOM 0 HD1 TRP A 45 9.988 11.158 3.660 1.00 35.40 H new ATOM 0 HE1 TRP A 45 7.530 10.684 3.005 1.00 30.21 H new ATOM 0 HE3 TRP A 45 9.204 7.057 6.607 1.00 73.52 H new ATOM 0 HZ2 TRP A 45 5.558 8.796 3.682 1.00 22.43 H new ATOM 0 HZ3 TRP A 45 6.998 5.965 6.551 1.00 55.25 H new ATOM 0 HH2 TRP A 45 5.199 6.823 5.105 1.00 43.45 H new ATOM 663 N ALA A 46 10.691 6.671 3.768 1.00 33.22 N ATOM 664 CA ALA A 46 10.017 5.390 3.596 1.00 55.04 C ATOM 665 C ALA A 46 10.974 4.228 3.838 1.00 44.45 C ATOM 666 O ALA A 46 10.564 3.152 4.274 1.00 53.14 O ATOM 667 CB ALA A 46 9.411 5.296 2.203 1.00 72.10 C ATOM 0 H ALA A 46 10.577 7.316 2.986 1.00 33.22 H new ATOM 0 HA ALA A 46 9.217 5.327 4.334 1.00 55.04 H new ATOM 0 HB1 ALA A 46 8.911 4.334 2.088 1.00 72.10 H new ATOM 0 HB2 ALA A 46 8.688 6.100 2.066 1.00 72.10 H new ATOM 0 HB3 ALA A 46 10.200 5.386 1.456 1.00 72.10 H new ATOM 673 N LEU A 47 12.252 4.452 3.551 1.00 2.14 N ATOM 674 CA LEU A 47 13.269 3.423 3.737 1.00 4.14 C ATOM 675 C LEU A 47 13.391 3.037 5.208 1.00 34.20 C ATOM 676 O LEU A 47 13.627 1.875 5.537 1.00 20.13 O ATOM 677 CB LEU A 47 14.621 3.913 3.214 1.00 15.31 C ATOM 678 CG LEU A 47 14.610 4.557 1.827 1.00 14.53 C ATOM 679 CD1 LEU A 47 15.998 5.058 1.460 1.00 20.51 C ATOM 680 CD2 LEU A 47 14.103 3.571 0.785 1.00 11.21 C ATOM 0 H LEU A 47 12.608 5.337 3.189 1.00 2.14 H new ATOM 0 HA LEU A 47 12.965 2.541 3.172 1.00 4.14 H new ATOM 0 HB2 LEU A 47 15.023 4.635 3.925 1.00 15.31 H new ATOM 0 HB3 LEU A 47 15.309 3.068 3.195 1.00 15.31 H new ATOM 0 HG LEU A 47 13.933 5.411 1.849 1.00 14.53 H new ATOM 0 HD11 LEU A 47 15.971 5.513 0.470 1.00 20.51 H new ATOM 0 HD12 LEU A 47 16.323 5.799 2.191 1.00 20.51 H new ATOM 0 HD13 LEU A 47 16.697 4.222 1.456 1.00 20.51 H new ATOM 0 HD21 LEU A 47 14.102 4.047 -0.196 1.00 11.21 H new ATOM 0 HD22 LEU A 47 14.754 2.697 0.764 1.00 11.21 H new ATOM 0 HD23 LEU A 47 13.089 3.262 1.039 1.00 11.21 H new ATOM 692 N ALA A 48 13.225 4.019 6.088 1.00 32.20 N ATOM 693 CA ALA A 48 13.311 3.781 7.523 1.00 24.15 C ATOM 694 C ALA A 48 12.009 3.199 8.063 1.00 2.10 C ATOM 695 O ALA A 48 12.001 2.512 9.084 1.00 3.31 O ATOM 696 CB ALA A 48 13.657 5.071 8.252 1.00 24.24 C ATOM 0 H ALA A 48 13.030 4.987 5.832 1.00 32.20 H new ATOM 0 HA ALA A 48 14.103 3.053 7.698 1.00 24.15 H new ATOM 0 HB1 ALA A 48 13.718 4.878 9.323 1.00 24.24 H new ATOM 0 HB2 ALA A 48 14.617 5.444 7.895 1.00 24.24 H new ATOM 0 HB3 ALA A 48 12.884 5.816 8.061 1.00 24.24 H new ATOM 702 N ALA A 49 10.910 3.479 7.371 1.00 53.21 N ATOM 703 CA ALA A 49 9.602 2.982 7.780 1.00 0.43 C ATOM 704 C ALA A 49 9.461 1.495 7.478 1.00 74.55 C ATOM 705 O ALA A 49 8.738 0.777 8.168 1.00 21.14 O ATOM 706 CB ALA A 49 8.498 3.771 7.091 1.00 64.55 C ATOM 0 H ALA A 49 10.899 4.048 6.524 1.00 53.21 H new ATOM 0 HA ALA A 49 9.510 3.117 8.858 1.00 0.43 H new ATOM 0 HB1 ALA A 49 7.527 3.389 7.406 1.00 64.55 H new ATOM 0 HB2 ALA A 49 8.579 4.824 7.362 1.00 64.55 H new ATOM 0 HB3 ALA A 49 8.596 3.666 6.010 1.00 64.55 H new ATOM 712 N ALA A 50 10.155 1.038 6.440 1.00 33.12 N ATOM 713 CA ALA A 50 10.107 -0.365 6.047 1.00 1.11 C ATOM 714 C ALA A 50 10.440 -1.276 7.224 1.00 71.24 C ATOM 715 O ALA A 50 9.972 -2.412 7.293 1.00 2.03 O ATOM 716 CB ALA A 50 11.063 -0.622 4.891 1.00 15.22 C ATOM 0 H ALA A 50 10.757 1.619 5.857 1.00 33.12 H new ATOM 0 HA ALA A 50 9.092 -0.592 5.722 1.00 1.11 H new ATOM 0 HB1 ALA A 50 11.017 -1.674 4.608 1.00 15.22 H new ATOM 0 HB2 ALA A 50 10.779 -0.004 4.039 1.00 15.22 H new ATOM 0 HB3 ALA A 50 12.079 -0.373 5.197 1.00 15.22 H new ATOM 722 N GLY A 51 11.252 -0.771 8.147 1.00 41.50 N ATOM 723 CA GLY A 51 11.634 -1.553 9.308 1.00 62.33 C ATOM 724 C GLY A 51 10.438 -2.010 10.119 1.00 54.34 C ATOM 725 O GLY A 51 10.207 -3.208 10.276 1.00 21.24 O ATOM 0 H GLY A 51 11.652 0.166 8.111 1.00 41.50 H new ATOM 0 HA2 GLY A 51 12.203 -2.424 8.984 1.00 62.33 H new ATOM 0 HA3 GLY A 51 12.293 -0.959 9.941 1.00 62.33 H new ATOM 729 N ALA A 52 9.675 -1.052 10.636 1.00 40.03 N ATOM 730 CA ALA A 52 8.496 -1.362 11.434 1.00 31.15 C ATOM 731 C ALA A 52 7.601 -0.137 11.591 1.00 70.33 C ATOM 732 O ALA A 52 8.038 0.995 11.381 1.00 64.14 O ATOM 733 CB ALA A 52 8.908 -1.895 12.799 1.00 52.31 C ATOM 0 H ALA A 52 9.853 -0.055 10.516 1.00 40.03 H new ATOM 0 HA ALA A 52 7.927 -2.131 10.912 1.00 31.15 H new ATOM 0 HB1 ALA A 52 8.017 -2.122 13.385 1.00 52.31 H new ATOM 0 HB2 ALA A 52 9.500 -2.801 12.672 1.00 52.31 H new ATOM 0 HB3 ALA A 52 9.502 -1.143 13.319 1.00 52.31 H new ATOM 739 N LEU A 53 6.346 -0.370 11.960 1.00 63.42 N ATOM 740 CA LEU A 53 5.389 0.715 12.144 1.00 73.34 C ATOM 741 C LEU A 53 5.212 1.510 10.854 1.00 64.31 C ATOM 742 O LEU A 53 5.278 2.738 10.856 1.00 50.20 O ATOM 743 CB LEU A 53 5.849 1.643 13.269 1.00 24.52 C ATOM 744 CG LEU A 53 4.743 2.358 14.045 1.00 54.05 C ATOM 745 CD1 LEU A 53 4.044 1.394 14.991 1.00 64.44 C ATOM 746 CD2 LEU A 53 5.310 3.544 14.812 1.00 74.35 C ATOM 0 H LEU A 53 5.968 -1.300 12.138 1.00 63.42 H new ATOM 0 HA LEU A 53 4.428 0.276 12.414 1.00 73.34 H new ATOM 0 HB2 LEU A 53 6.441 1.060 13.974 1.00 24.52 H new ATOM 0 HB3 LEU A 53 6.512 2.396 12.843 1.00 24.52 H new ATOM 0 HG LEU A 53 4.008 2.730 13.331 1.00 54.05 H new ATOM 0 HD11 LEU A 53 3.260 1.922 15.534 1.00 64.44 H new ATOM 0 HD12 LEU A 53 3.603 0.578 14.418 1.00 64.44 H new ATOM 0 HD13 LEU A 53 4.768 0.990 15.699 1.00 64.44 H new ATOM 0 HD21 LEU A 53 4.508 4.041 15.358 1.00 74.35 H new ATOM 0 HD22 LEU A 53 6.066 3.195 15.515 1.00 74.35 H new ATOM 0 HD23 LEU A 53 5.762 4.247 14.113 1.00 74.35 H new ATOM 758 N GLY A 54 4.986 0.799 9.753 1.00 52.31 N ATOM 759 CA GLY A 54 4.801 1.455 8.472 1.00 41.43 C ATOM 760 C GLY A 54 3.988 0.619 7.504 1.00 71.01 C ATOM 761 O GLY A 54 3.743 -0.562 7.748 1.00 13.01 O ATOM 0 H GLY A 54 4.928 -0.219 9.726 1.00 52.31 H new ATOM 0 HA2 GLY A 54 4.304 2.413 8.626 1.00 41.43 H new ATOM 0 HA3 GLY A 54 5.775 1.669 8.033 1.00 41.43 H new ATOM 765 N ALA A 55 3.567 1.233 6.403 1.00 61.32 N ATOM 766 CA ALA A 55 2.777 0.537 5.395 1.00 70.32 C ATOM 767 C ALA A 55 3.496 -0.714 4.900 1.00 4.34 C ATOM 768 O ALA A 55 4.647 -0.650 4.465 1.00 33.21 O ATOM 769 CB ALA A 55 2.470 1.467 4.230 1.00 32.53 C ATOM 0 H ALA A 55 3.760 2.211 6.187 1.00 61.32 H new ATOM 0 HA ALA A 55 1.839 0.227 5.855 1.00 70.32 H new ATOM 0 HB1 ALA A 55 1.880 0.934 3.485 1.00 32.53 H new ATOM 0 HB2 ALA A 55 1.908 2.328 4.590 1.00 32.53 H new ATOM 0 HB3 ALA A 55 3.403 1.806 3.779 1.00 32.53 H new ATOM 775 N THR A 56 2.812 -1.851 4.971 1.00 61.45 N ATOM 776 CA THR A 56 3.386 -3.117 4.532 1.00 45.01 C ATOM 777 C THR A 56 2.625 -3.682 3.338 1.00 3.20 C ATOM 778 O THR A 56 3.197 -4.376 2.497 1.00 13.55 O ATOM 779 CB THR A 56 3.384 -4.158 5.667 1.00 63.30 C ATOM 780 OG1 THR A 56 4.019 -5.364 5.227 1.00 43.10 O ATOM 781 CG2 THR A 56 1.964 -4.463 6.119 1.00 21.00 C ATOM 0 H THR A 56 1.859 -1.921 5.329 1.00 61.45 H new ATOM 0 HA THR A 56 4.416 -2.912 4.239 1.00 45.01 H new ATOM 0 HB THR A 56 3.936 -3.744 6.511 1.00 63.30 H new ATOM 0 HG1 THR A 56 4.015 -6.020 5.955 1.00 43.10 H new ATOM 0 HG21 THR A 56 1.988 -5.201 6.921 1.00 21.00 H new ATOM 0 HG22 THR A 56 1.493 -3.549 6.481 1.00 21.00 H new ATOM 0 HG23 THR A 56 1.392 -4.858 5.280 1.00 21.00 H new ATOM 789 N ALA A 57 1.333 -3.380 3.269 1.00 11.35 N ATOM 790 CA ALA A 57 0.494 -3.855 2.176 1.00 21.34 C ATOM 791 C ALA A 57 -0.186 -2.693 1.460 1.00 23.33 C ATOM 792 O ALA A 57 -0.856 -2.884 0.446 1.00 42.32 O ATOM 793 CB ALA A 57 -0.545 -4.837 2.697 1.00 22.42 C ATOM 0 H ALA A 57 0.844 -2.808 3.958 1.00 11.35 H new ATOM 0 HA ALA A 57 1.133 -4.366 1.456 1.00 21.34 H new ATOM 0 HB1 ALA A 57 -1.165 -5.184 1.870 1.00 22.42 H new ATOM 0 HB2 ALA A 57 -0.043 -5.689 3.156 1.00 22.42 H new ATOM 0 HB3 ALA A 57 -1.173 -4.343 3.439 1.00 22.42 H new ATOM 799 N ALA A 58 -0.009 -1.490 1.996 1.00 51.35 N ATOM 800 CA ALA A 58 -0.605 -0.297 1.406 1.00 3.15 C ATOM 801 C ALA A 58 -0.016 -0.013 0.029 1.00 55.25 C ATOM 802 O ALA A 58 -0.749 0.151 -0.948 1.00 31.11 O ATOM 803 CB ALA A 58 -0.406 0.900 2.324 1.00 12.42 C ATOM 0 H ALA A 58 0.542 -1.315 2.837 1.00 51.35 H new ATOM 0 HA ALA A 58 -1.673 -0.476 1.285 1.00 3.15 H new ATOM 0 HB1 ALA A 58 -0.856 1.784 1.872 1.00 12.42 H new ATOM 0 HB2 ALA A 58 -0.880 0.704 3.286 1.00 12.42 H new ATOM 0 HB3 ALA A 58 0.660 1.071 2.473 1.00 12.42 H new