USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 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 Set 1.1: A 11 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.5) USER MOD Set 1.2: A 41 THR OG1 : rot 150:sc= 0 USER MOD Single : A 1 ILE N :NH3+ -121:sc= -0.0724 (180deg=-0.61) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.858 USER MOD Single : A 7 GLN : amide:sc= -0.0712 K(o=-0.071,f=-2!) USER MOD Single : A 14 THR OG1 : rot -26:sc= 0.2 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.218 (180deg=-1.07) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -49:sc= 1.06 USER MOD Single : A 32 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 0.680 -1.972 -0.035 1.00 34.30 N ATOM 2 CA ILE A 1 1.564 -1.601 -1.133 1.00 31.43 C ATOM 3 C ILE A 1 1.261 -2.419 -2.383 1.00 74.44 C ATOM 4 O ILE A 1 1.386 -1.928 -3.505 1.00 42.51 O ATOM 5 CB ILE A 1 3.044 -1.794 -0.753 1.00 70.51 C ATOM 6 CG1 ILE A 1 3.405 -0.912 0.444 1.00 65.24 C ATOM 7 CG2 ILE A 1 3.941 -1.479 -1.941 1.00 31.02 C ATOM 8 CD1 ILE A 1 3.325 0.569 0.148 1.00 10.23 C ATOM 0 H1 ILE A 1 0.143 -1.137 0.276 1.00 34.30 H new ATOM 0 HA ILE A 1 1.385 -0.546 -1.340 1.00 31.43 H new ATOM 0 HB ILE A 1 3.199 -2.836 -0.472 1.00 70.51 H new ATOM 0 HG12 ILE A 1 2.736 -1.146 1.272 1.00 65.24 H new ATOM 0 HG13 ILE A 1 4.416 -1.155 0.772 1.00 65.24 H new ATOM 0 HG21 ILE A 1 4.984 -1.620 -1.657 1.00 31.02 H new ATOM 0 HG22 ILE A 1 3.697 -2.146 -2.768 1.00 31.02 H new ATOM 0 HG23 ILE A 1 3.786 -0.445 -2.250 1.00 31.02 H new ATOM 0 HD11 ILE A 1 3.594 1.134 1.041 1.00 10.23 H new ATOM 0 HD12 ILE A 1 4.015 0.817 -0.659 1.00 10.23 H new ATOM 0 HD13 ILE A 1 2.309 0.826 -0.151 1.00 10.23 H new ATOM 20 N TYR A 2 0.859 -3.670 -2.183 1.00 1.42 N ATOM 21 CA TYR A 2 0.538 -4.557 -3.294 1.00 51.23 C ATOM 22 C TYR A 2 -0.845 -4.244 -3.859 1.00 25.31 C ATOM 23 O TYR A 2 -1.274 -4.843 -4.845 1.00 34.33 O ATOM 24 CB TYR A 2 0.598 -6.017 -2.843 1.00 5.03 C ATOM 25 CG TYR A 2 1.991 -6.605 -2.881 1.00 73.52 C ATOM 26 CD1 TYR A 2 2.478 -7.214 -4.031 1.00 52.35 C ATOM 27 CD2 TYR A 2 2.820 -6.552 -1.767 1.00 74.32 C ATOM 28 CE1 TYR A 2 3.749 -7.753 -4.071 1.00 32.33 C ATOM 29 CE2 TYR A 2 4.093 -7.088 -1.798 1.00 14.12 C ATOM 30 CZ TYR A 2 4.552 -7.688 -2.952 1.00 5.24 C ATOM 31 OH TYR A 2 5.820 -8.223 -2.987 1.00 53.11 O ATOM 0 H TYR A 2 0.748 -4.092 -1.261 1.00 1.42 H new ATOM 0 HA TYR A 2 1.277 -4.396 -4.079 1.00 51.23 H new ATOM 0 HB2 TYR A 2 0.209 -6.091 -1.828 1.00 5.03 H new ATOM 0 HB3 TYR A 2 -0.056 -6.613 -3.480 1.00 5.03 H new ATOM 0 HD1 TYR A 2 1.852 -7.267 -4.909 1.00 52.35 H new ATOM 0 HD2 TYR A 2 2.463 -6.084 -0.862 1.00 74.32 H new ATOM 0 HE1 TYR A 2 4.112 -8.223 -4.973 1.00 32.33 H new ATOM 0 HE2 TYR A 2 4.725 -7.037 -0.924 1.00 14.12 H new ATOM 0 HH TYR A 2 6.254 -8.093 -2.118 1.00 53.11 H new ATOM 41 N TRP A 3 -1.535 -3.302 -3.227 1.00 21.21 N ATOM 42 CA TRP A 3 -2.869 -2.908 -3.666 1.00 20.43 C ATOM 43 C TRP A 3 -2.843 -1.530 -4.317 1.00 70.35 C ATOM 44 O TRP A 3 -3.607 -1.257 -5.243 1.00 75.44 O ATOM 45 CB TRP A 3 -3.838 -2.908 -2.482 1.00 71.43 C ATOM 46 CG TRP A 3 -5.244 -2.560 -2.866 1.00 53.41 C ATOM 47 CD1 TRP A 3 -6.200 -3.413 -3.339 1.00 14.44 C ATOM 48 CD2 TRP A 3 -5.851 -1.264 -2.812 1.00 11.12 C ATOM 49 NE1 TRP A 3 -7.365 -2.725 -3.581 1.00 72.23 N ATOM 50 CE2 TRP A 3 -7.177 -1.406 -3.265 1.00 52.33 C ATOM 51 CE3 TRP A 3 -5.404 0.002 -2.422 1.00 73.52 C ATOM 52 CZ2 TRP A 3 -8.057 -0.329 -3.340 1.00 70.21 C ATOM 53 CZ3 TRP A 3 -6.279 1.069 -2.497 1.00 64.13 C ATOM 54 CH2 TRP A 3 -7.593 0.898 -2.952 1.00 41.45 C ATOM 0 H TRP A 3 -1.193 -2.797 -2.409 1.00 21.21 H new ATOM 0 HA TRP A 3 -3.210 -3.632 -4.406 1.00 20.43 H new ATOM 0 HB2 TRP A 3 -3.830 -3.893 -2.015 1.00 71.43 H new ATOM 0 HB3 TRP A 3 -3.487 -2.197 -1.734 1.00 71.43 H new ATOM 0 HD1 TRP A 3 -6.061 -4.472 -3.499 1.00 14.44 H new ATOM 0 HE1 TRP A 3 -8.230 -3.131 -3.938 1.00 72.23 H new ATOM 0 HE3 TRP A 3 -4.393 0.144 -2.069 1.00 73.52 H new ATOM 0 HZ2 TRP A 3 -9.070 -0.458 -3.692 1.00 70.21 H new ATOM 0 HZ3 TRP A 3 -5.944 2.052 -2.200 1.00 64.13 H new ATOM 0 HH2 TRP A 3 -8.253 1.752 -2.997 1.00 41.45 H new ATOM 65 N ILE A 4 -1.960 -0.666 -3.829 1.00 61.10 N ATOM 66 CA ILE A 4 -1.835 0.683 -4.366 1.00 43.20 C ATOM 67 C ILE A 4 -1.156 0.671 -5.731 1.00 61.45 C ATOM 68 O ILE A 4 -1.526 1.430 -6.627 1.00 24.42 O ATOM 69 CB ILE A 4 -1.036 1.595 -3.416 1.00 44.24 C ATOM 70 CG1 ILE A 4 -1.806 1.809 -2.112 1.00 2.52 C ATOM 71 CG2 ILE A 4 -0.738 2.928 -4.087 1.00 74.25 C ATOM 72 CD1 ILE A 4 -1.061 1.331 -0.885 1.00 52.20 C ATOM 0 H ILE A 4 -1.321 -0.876 -3.063 1.00 61.10 H new ATOM 0 HA ILE A 4 -2.846 1.076 -4.470 1.00 43.20 H new ATOM 0 HB ILE A 4 -0.089 1.109 -3.181 1.00 44.24 H new ATOM 0 HG12 ILE A 4 -2.029 2.870 -2.001 1.00 2.52 H new ATOM 0 HG13 ILE A 4 -2.761 1.287 -2.174 1.00 2.52 H new ATOM 0 HG21 ILE A 4 -0.173 3.561 -3.403 1.00 74.25 H new ATOM 0 HG22 ILE A 4 -0.153 2.758 -4.991 1.00 74.25 H new ATOM 0 HG23 ILE A 4 -1.674 3.421 -4.348 1.00 74.25 H new ATOM 0 HD11 ILE A 4 -1.666 1.514 0.003 1.00 52.20 H new ATOM 0 HD12 ILE A 4 -0.861 0.263 -0.974 1.00 52.20 H new ATOM 0 HD13 ILE A 4 -0.118 1.871 -0.799 1.00 52.20 H new ATOM 84 N ALA A 5 -0.162 -0.198 -5.884 1.00 22.10 N ATOM 85 CA ALA A 5 0.566 -0.313 -7.141 1.00 43.25 C ATOM 86 C ALA A 5 -0.368 -0.697 -8.284 1.00 20.02 C ATOM 87 O ALA A 5 -0.046 -0.498 -9.455 1.00 51.13 O ATOM 88 CB ALA A 5 1.689 -1.331 -7.010 1.00 62.12 C ATOM 0 H ALA A 5 0.157 -0.833 -5.152 1.00 22.10 H new ATOM 0 HA ALA A 5 0.998 0.661 -7.372 1.00 43.25 H new ATOM 0 HB1 ALA A 5 2.224 -1.406 -7.957 1.00 62.12 H new ATOM 0 HB2 ALA A 5 2.378 -1.014 -6.228 1.00 62.12 H new ATOM 0 HB3 ALA A 5 1.270 -2.304 -6.752 1.00 62.12 H new ATOM 94 N ASP A 6 -1.525 -1.249 -7.935 1.00 41.12 N ATOM 95 CA ASP A 6 -2.507 -1.661 -8.932 1.00 5.01 C ATOM 96 C ASP A 6 -3.450 -0.512 -9.273 1.00 13.14 C ATOM 97 O ASP A 6 -3.399 0.040 -10.371 1.00 42.42 O ATOM 98 CB ASP A 6 -3.307 -2.861 -8.425 1.00 20.54 C ATOM 99 CG ASP A 6 -2.578 -4.174 -8.635 1.00 1.04 C ATOM 100 OD1 ASP A 6 -2.146 -4.436 -9.776 1.00 44.14 O ATOM 101 OD2 ASP A 6 -2.440 -4.940 -7.657 1.00 52.34 O ATOM 0 H ASP A 6 -1.806 -1.422 -6.970 1.00 41.12 H new ATOM 0 HA ASP A 6 -1.971 -1.948 -9.837 1.00 5.01 H new ATOM 0 HB2 ASP A 6 -3.517 -2.731 -7.363 1.00 20.54 H new ATOM 0 HB3 ASP A 6 -4.268 -2.896 -8.938 1.00 20.54 H new ATOM 106 N GLN A 7 -4.311 -0.159 -8.324 1.00 12.24 N ATOM 107 CA GLN A 7 -5.268 0.923 -8.525 1.00 4.32 C ATOM 108 C GLN A 7 -4.560 2.201 -8.962 1.00 44.41 C ATOM 109 O GLN A 7 -4.783 2.701 -10.065 1.00 62.31 O ATOM 110 CB GLN A 7 -6.059 1.178 -7.241 1.00 2.33 C ATOM 111 CG GLN A 7 -6.804 -0.045 -6.732 1.00 24.31 C ATOM 112 CD GLN A 7 -8.090 -0.303 -7.492 1.00 22.45 C ATOM 113 OE1 GLN A 7 -8.078 -0.495 -8.708 1.00 13.41 O ATOM 114 NE2 GLN A 7 -9.209 -0.310 -6.776 1.00 62.45 N ATOM 0 H GLN A 7 -4.366 -0.606 -7.409 1.00 12.24 H new ATOM 0 HA GLN A 7 -5.957 0.623 -9.314 1.00 4.32 H new ATOM 0 HB2 GLN A 7 -5.376 1.525 -6.466 1.00 2.33 H new ATOM 0 HB3 GLN A 7 -6.774 1.981 -7.418 1.00 2.33 H new ATOM 0 HG2 GLN A 7 -6.158 -0.919 -6.812 1.00 24.31 H new ATOM 0 HG3 GLN A 7 -7.032 0.087 -5.674 1.00 24.31 H new ATOM 0 HE21 GLN A 7 -9.172 -0.146 -5.770 1.00 62.45 H new ATOM 0 HE22 GLN A 7 -10.105 -0.479 -7.232 1.00 62.45 H new ATOM 123 N PHE A 8 -3.705 2.727 -8.090 1.00 73.41 N ATOM 124 CA PHE A 8 -2.965 3.948 -8.386 1.00 31.23 C ATOM 125 C PHE A 8 -1.777 3.656 -9.297 1.00 43.33 C ATOM 126 O PHE A 8 -1.776 4.023 -10.472 1.00 35.03 O ATOM 127 CB PHE A 8 -2.480 4.602 -7.090 1.00 72.32 C ATOM 128 CG PHE A 8 -3.577 4.841 -6.093 1.00 11.35 C ATOM 129 CD1 PHE A 8 -4.004 3.824 -5.254 1.00 64.12 C ATOM 130 CD2 PHE A 8 -4.182 6.084 -5.993 1.00 71.15 C ATOM 131 CE1 PHE A 8 -5.013 4.041 -4.335 1.00 4.22 C ATOM 132 CE2 PHE A 8 -5.191 6.307 -5.076 1.00 11.13 C ATOM 133 CZ PHE A 8 -5.608 5.284 -4.246 1.00 43.23 C ATOM 0 H PHE A 8 -3.508 2.326 -7.173 1.00 73.41 H new ATOM 0 HA PHE A 8 -3.636 4.634 -8.902 1.00 31.23 H new ATOM 0 HB2 PHE A 8 -1.718 3.968 -6.635 1.00 72.32 H new ATOM 0 HB3 PHE A 8 -2.003 5.553 -7.328 1.00 72.32 H new ATOM 0 HD1 PHE A 8 -3.542 2.850 -5.319 1.00 64.12 H new ATOM 0 HD2 PHE A 8 -3.861 6.887 -6.639 1.00 71.15 H new ATOM 0 HE1 PHE A 8 -5.336 3.239 -3.687 1.00 4.22 H new ATOM 0 HE2 PHE A 8 -5.654 7.281 -5.008 1.00 11.13 H new ATOM 0 HZ PHE A 8 -6.397 5.456 -3.529 1.00 43.23 H new ATOM 143 N GLY A 9 -0.764 2.994 -8.746 1.00 60.12 N ATOM 144 CA GLY A 9 0.417 2.665 -9.523 1.00 21.35 C ATOM 145 C GLY A 9 1.327 3.859 -9.728 1.00 43.21 C ATOM 146 O GLY A 9 2.053 3.931 -10.721 1.00 13.55 O ATOM 0 H GLY A 9 -0.740 2.680 -7.776 1.00 60.12 H new ATOM 0 HA2 GLY A 9 0.970 1.873 -9.019 1.00 21.35 H new ATOM 0 HA3 GLY A 9 0.112 2.274 -10.494 1.00 21.35 H new ATOM 150 N ILE A 10 1.289 4.799 -8.790 1.00 34.14 N ATOM 151 CA ILE A 10 2.116 5.996 -8.873 1.00 61.03 C ATOM 152 C ILE A 10 3.571 5.683 -8.539 1.00 53.23 C ATOM 153 O ILE A 10 3.869 5.115 -7.489 1.00 24.43 O ATOM 154 CB ILE A 10 1.609 7.098 -7.925 1.00 11.32 C ATOM 155 CG1 ILE A 10 0.154 7.447 -8.245 1.00 41.50 C ATOM 156 CG2 ILE A 10 2.491 8.334 -8.029 1.00 20.53 C ATOM 157 CD1 ILE A 10 -0.519 8.274 -7.172 1.00 34.53 C ATOM 0 H ILE A 10 0.694 4.755 -7.963 1.00 34.14 H new ATOM 0 HA ILE A 10 2.050 6.354 -9.900 1.00 61.03 H new ATOM 0 HB ILE A 10 1.657 6.726 -6.901 1.00 11.32 H new ATOM 0 HG12 ILE A 10 0.119 7.992 -9.188 1.00 41.50 H new ATOM 0 HG13 ILE A 10 -0.409 6.525 -8.388 1.00 41.50 H new ATOM 0 HG21 ILE A 10 2.120 9.104 -7.353 1.00 20.53 H new ATOM 0 HG22 ILE A 10 3.514 8.075 -7.757 1.00 20.53 H new ATOM 0 HG23 ILE A 10 2.472 8.710 -9.052 1.00 20.53 H new ATOM 0 HD11 ILE A 10 -1.547 8.484 -7.466 1.00 34.53 H new ATOM 0 HD12 ILE A 10 -0.516 7.722 -6.232 1.00 34.53 H new ATOM 0 HD13 ILE A 10 0.020 9.212 -7.044 1.00 34.53 H new ATOM 169 N HIS A 11 4.473 6.060 -9.440 1.00 1.02 N ATOM 170 CA HIS A 11 5.898 5.822 -9.240 1.00 22.02 C ATOM 171 C HIS A 11 6.166 4.351 -8.935 1.00 12.23 C ATOM 172 O HIS A 11 6.896 4.023 -7.998 1.00 51.53 O ATOM 173 CB HIS A 11 6.428 6.695 -8.102 1.00 50.52 C ATOM 174 CG HIS A 11 5.997 8.127 -8.195 1.00 74.33 C ATOM 175 ND1 HIS A 11 5.867 8.947 -7.094 1.00 61.24 N ATOM 176 CD2 HIS A 11 5.666 8.884 -9.268 1.00 21.25 C ATOM 177 CE1 HIS A 11 5.474 10.146 -7.485 1.00 72.12 C ATOM 178 NE2 HIS A 11 5.345 10.134 -8.800 1.00 10.33 N ATOM 0 H HIS A 11 4.243 6.531 -10.315 1.00 1.02 H new ATOM 0 HA HIS A 11 6.417 6.084 -10.162 1.00 22.02 H new ATOM 0 HB2 HIS A 11 6.089 6.283 -7.151 1.00 50.52 H new ATOM 0 HB3 HIS A 11 7.517 6.651 -8.099 1.00 50.52 H new ATOM 0 HD2 HIS A 11 5.656 8.564 -10.299 1.00 21.25 H new ATOM 0 HE1 HIS A 11 5.290 10.992 -6.840 1.00 72.12 H new ATOM 0 HE2 HIS A 11 5.054 10.925 -9.374 1.00 10.33 H new ATOM 186 N LEU A 12 5.570 3.469 -9.730 1.00 1.33 N ATOM 187 CA LEU A 12 5.743 2.033 -9.544 1.00 65.24 C ATOM 188 C LEU A 12 7.049 1.556 -10.173 1.00 51.22 C ATOM 189 O LEU A 12 8.021 1.276 -9.472 1.00 51.24 O ATOM 190 CB LEU A 12 4.564 1.274 -10.154 1.00 75.12 C ATOM 191 CG LEU A 12 4.734 -0.240 -10.283 1.00 72.22 C ATOM 192 CD1 LEU A 12 4.834 -0.885 -8.909 1.00 44.15 C ATOM 193 CD2 LEU A 12 3.580 -0.841 -11.073 1.00 65.23 C ATOM 0 H LEU A 12 4.963 3.723 -10.509 1.00 1.33 H new ATOM 0 HA LEU A 12 5.782 1.832 -8.473 1.00 65.24 H new ATOM 0 HB2 LEU A 12 3.679 1.470 -9.548 1.00 75.12 H new ATOM 0 HB3 LEU A 12 4.368 1.683 -11.145 1.00 75.12 H new ATOM 0 HG LEU A 12 5.660 -0.437 -10.823 1.00 72.22 H new ATOM 0 HD11 LEU A 12 4.955 -1.963 -9.021 1.00 44.15 H new ATOM 0 HD12 LEU A 12 5.693 -0.477 -8.377 1.00 44.15 H new ATOM 0 HD13 LEU A 12 3.926 -0.678 -8.343 1.00 44.15 H new ATOM 0 HD21 LEU A 12 3.718 -1.919 -11.155 1.00 65.23 H new ATOM 0 HD22 LEU A 12 2.641 -0.633 -10.560 1.00 65.23 H new ATOM 0 HD23 LEU A 12 3.554 -0.402 -12.070 1.00 65.23 H new ATOM 205 N ALA A 13 7.064 1.469 -11.499 1.00 74.42 N ATOM 206 CA ALA A 13 8.251 1.030 -12.223 1.00 13.43 C ATOM 207 C ALA A 13 8.671 -0.371 -11.791 1.00 53.40 C ATOM 208 O ALA A 13 9.729 -0.556 -11.190 1.00 3.55 O ATOM 209 CB ALA A 13 9.391 2.014 -12.010 1.00 45.52 C ATOM 0 H ALA A 13 6.267 1.697 -12.094 1.00 74.42 H new ATOM 0 HA ALA A 13 8.008 0.996 -13.285 1.00 13.43 H new ATOM 0 HB1 ALA A 13 10.271 1.675 -12.556 1.00 45.52 H new ATOM 0 HB2 ALA A 13 9.095 2.998 -12.374 1.00 45.52 H new ATOM 0 HB3 ALA A 13 9.625 2.076 -10.947 1.00 45.52 H new ATOM 215 N THR A 14 7.834 -1.356 -12.101 1.00 60.20 N ATOM 216 CA THR A 14 8.118 -2.740 -11.744 1.00 33.35 C ATOM 217 C THR A 14 9.158 -3.347 -12.678 1.00 21.33 C ATOM 218 O THR A 14 9.592 -4.483 -12.486 1.00 13.50 O ATOM 219 CB THR A 14 6.843 -3.603 -11.784 1.00 35.54 C ATOM 220 OG1 THR A 14 7.112 -4.901 -11.242 1.00 22.22 O ATOM 221 CG2 THR A 14 6.326 -3.740 -13.208 1.00 22.30 C ATOM 0 H THR A 14 6.954 -1.221 -12.599 1.00 60.20 H new ATOM 0 HA THR A 14 8.510 -2.730 -10.727 1.00 33.35 H new ATOM 0 HB THR A 14 6.079 -3.110 -11.183 1.00 35.54 H new ATOM 0 HG1 THR A 14 8.064 -5.108 -11.345 1.00 22.22 H new ATOM 0 HG21 THR A 14 5.425 -4.354 -13.211 1.00 22.30 H new ATOM 0 HG22 THR A 14 6.094 -2.753 -13.607 1.00 22.30 H new ATOM 0 HG23 THR A 14 7.088 -4.212 -13.828 1.00 22.30 H new ATOM 229 N GLY A 15 9.556 -2.583 -13.690 1.00 52.42 N ATOM 230 CA GLY A 15 10.543 -3.063 -14.639 1.00 43.41 C ATOM 231 C GLY A 15 11.847 -3.454 -13.971 1.00 75.43 C ATOM 232 O GLY A 15 12.574 -4.315 -14.468 1.00 41.12 O ATOM 0 H GLY A 15 9.212 -1.640 -13.870 1.00 52.42 H new ATOM 0 HA2 GLY A 15 10.140 -3.923 -15.174 1.00 43.41 H new ATOM 0 HA3 GLY A 15 10.736 -2.288 -15.381 1.00 43.41 H new ATOM 236 N THR A 16 12.145 -2.821 -12.841 1.00 52.54 N ATOM 237 CA THR A 16 13.370 -3.105 -12.106 1.00 24.21 C ATOM 238 C THR A 16 13.063 -3.663 -10.721 1.00 25.30 C ATOM 239 O THR A 16 13.909 -4.305 -10.099 1.00 20.41 O ATOM 240 CB THR A 16 14.242 -1.844 -11.957 1.00 40.11 C ATOM 241 OG1 THR A 16 14.584 -1.329 -13.249 1.00 31.40 O ATOM 242 CG2 THR A 16 15.511 -2.152 -11.176 1.00 72.04 C ATOM 0 H THR A 16 11.554 -2.107 -12.415 1.00 52.54 H new ATOM 0 HA THR A 16 13.918 -3.850 -12.682 1.00 24.21 H new ATOM 0 HB THR A 16 13.669 -1.096 -11.408 1.00 40.11 H new ATOM 0 HG1 THR A 16 15.137 -0.527 -13.145 1.00 31.40 H new ATOM 0 HG21 THR A 16 16.110 -1.246 -11.084 1.00 72.04 H new ATOM 0 HG22 THR A 16 15.248 -2.516 -10.183 1.00 72.04 H new ATOM 0 HG23 THR A 16 16.085 -2.915 -11.701 1.00 72.04 H new ATOM 250 N ALA A 17 11.848 -3.415 -10.244 1.00 2.41 N ATOM 251 CA ALA A 17 11.429 -3.895 -8.933 1.00 62.11 C ATOM 252 C ALA A 17 10.870 -5.311 -9.020 1.00 72.04 C ATOM 253 O ALA A 17 10.740 -6.001 -8.009 1.00 10.30 O ATOM 254 CB ALA A 17 10.396 -2.954 -8.331 1.00 43.33 C ATOM 0 H ALA A 17 11.136 -2.884 -10.746 1.00 2.41 H new ATOM 0 HA ALA A 17 12.305 -3.917 -8.285 1.00 62.11 H new ATOM 0 HB1 ALA A 17 10.092 -3.325 -7.352 1.00 43.33 H new ATOM 0 HB2 ALA A 17 10.829 -1.959 -8.224 1.00 43.33 H new ATOM 0 HB3 ALA A 17 9.526 -2.902 -8.985 1.00 43.33 H new ATOM 260 N ARG A 18 10.540 -5.738 -10.235 1.00 15.11 N ATOM 261 CA ARG A 18 9.992 -7.071 -10.453 1.00 61.44 C ATOM 262 C ARG A 18 10.914 -8.139 -9.873 1.00 21.55 C ATOM 263 O ARG A 18 10.458 -9.191 -9.422 1.00 43.14 O ATOM 264 CB ARG A 18 9.783 -7.321 -11.948 1.00 35.30 C ATOM 265 CG ARG A 18 9.461 -8.768 -12.284 1.00 62.34 C ATOM 266 CD ARG A 18 8.159 -9.214 -11.639 1.00 34.22 C ATOM 267 NE ARG A 18 7.871 -10.622 -11.902 1.00 3.25 N ATOM 268 CZ ARG A 18 6.724 -11.210 -11.581 1.00 23.00 C ATOM 269 NH1 ARG A 18 5.762 -10.516 -10.989 1.00 40.24 N ATOM 270 NH2 ARG A 18 6.538 -12.495 -11.853 1.00 33.43 N ATOM 0 H ARG A 18 10.643 -5.180 -11.083 1.00 15.11 H new ATOM 0 HA ARG A 18 9.030 -7.129 -9.943 1.00 61.44 H new ATOM 0 HB2 ARG A 18 8.973 -6.685 -12.304 1.00 35.30 H new ATOM 0 HB3 ARG A 18 10.682 -7.023 -12.487 1.00 35.30 H new ATOM 0 HG2 ARG A 18 9.391 -8.884 -13.365 1.00 62.34 H new ATOM 0 HG3 ARG A 18 10.274 -9.411 -11.946 1.00 62.34 H new ATOM 0 HD2 ARG A 18 8.213 -9.050 -10.563 1.00 34.22 H new ATOM 0 HD3 ARG A 18 7.340 -8.600 -12.014 1.00 34.22 H new ATOM 0 HE ARG A 18 8.590 -11.184 -12.357 1.00 3.25 H new ATOM 0 HH11 ARG A 18 5.902 -9.528 -10.779 1.00 40.24 H new ATOM 0 HH12 ARG A 18 4.882 -10.970 -10.744 1.00 40.24 H new ATOM 0 HH21 ARG A 18 7.276 -13.032 -12.309 1.00 33.43 H new ATOM 0 HH22 ARG A 18 5.657 -12.946 -11.606 1.00 33.43 H new ATOM 284 N LYS A 19 12.214 -7.863 -9.886 1.00 54.12 N ATOM 285 CA LYS A 19 13.201 -8.798 -9.361 1.00 20.33 C ATOM 286 C LYS A 19 13.262 -8.727 -7.838 1.00 42.43 C ATOM 287 O LYS A 19 13.398 -9.748 -7.163 1.00 63.04 O ATOM 288 CB LYS A 19 14.581 -8.501 -9.952 1.00 11.33 C ATOM 289 CG LYS A 19 15.090 -7.105 -9.636 1.00 12.13 C ATOM 290 CD LYS A 19 15.859 -6.514 -10.805 1.00 54.54 C ATOM 291 CE LYS A 19 17.326 -6.911 -10.766 1.00 21.40 C ATOM 292 NZ LYS A 19 17.509 -8.377 -10.954 1.00 34.32 N ATOM 0 H LYS A 19 12.608 -6.998 -10.255 1.00 54.12 H new ATOM 0 HA LYS A 19 12.899 -9.805 -9.648 1.00 20.33 H new ATOM 0 HB2 LYS A 19 15.294 -9.233 -9.574 1.00 11.33 H new ATOM 0 HB3 LYS A 19 14.539 -8.627 -11.034 1.00 11.33 H new ATOM 0 HG2 LYS A 19 14.249 -6.458 -9.388 1.00 12.13 H new ATOM 0 HG3 LYS A 19 15.734 -7.142 -8.757 1.00 12.13 H new ATOM 0 HD2 LYS A 19 15.415 -6.851 -11.742 1.00 54.54 H new ATOM 0 HD3 LYS A 19 15.775 -5.427 -10.785 1.00 54.54 H new ATOM 0 HE2 LYS A 19 17.868 -6.375 -11.545 1.00 21.40 H new ATOM 0 HE3 LYS A 19 17.758 -6.610 -9.812 1.00 21.40 H new ATOM 0 HZ1 LYS A 19 18.469 -8.565 -11.306 1.00 34.32 H new ATOM 0 HZ2 LYS A 19 17.372 -8.863 -10.045 1.00 34.32 H new ATOM 0 HZ3 LYS A 19 16.813 -8.728 -11.643 1.00 34.32 H new ATOM 306 N LEU A 20 13.159 -7.515 -7.303 1.00 65.11 N ATOM 307 CA LEU A 20 13.201 -7.310 -5.859 1.00 65.34 C ATOM 308 C LEU A 20 11.961 -7.893 -5.190 1.00 73.14 C ATOM 309 O LEU A 20 12.049 -8.524 -4.136 1.00 10.52 O ATOM 310 CB LEU A 20 13.315 -5.819 -5.539 1.00 55.20 C ATOM 311 CG LEU A 20 14.700 -5.197 -5.720 1.00 14.35 C ATOM 312 CD1 LEU A 20 14.597 -3.682 -5.812 1.00 34.24 C ATOM 313 CD2 LEU A 20 15.619 -5.602 -4.577 1.00 23.01 C ATOM 0 H LEU A 20 13.046 -6.660 -7.847 1.00 65.11 H new ATOM 0 HA LEU A 20 14.078 -7.827 -5.469 1.00 65.34 H new ATOM 0 HB2 LEU A 20 12.610 -5.278 -6.170 1.00 55.20 H new ATOM 0 HB3 LEU A 20 13.002 -5.665 -4.507 1.00 55.20 H new ATOM 0 HG LEU A 20 15.126 -5.569 -6.652 1.00 14.35 H new ATOM 0 HD11 LEU A 20 15.592 -3.257 -5.941 1.00 34.24 H new ATOM 0 HD12 LEU A 20 13.974 -3.411 -6.664 1.00 34.24 H new ATOM 0 HD13 LEU A 20 14.151 -3.291 -4.897 1.00 34.24 H new ATOM 0 HD21 LEU A 20 16.600 -5.151 -4.722 1.00 23.01 H new ATOM 0 HD22 LEU A 20 15.198 -5.259 -3.632 1.00 23.01 H new ATOM 0 HD23 LEU A 20 15.718 -6.687 -4.557 1.00 23.01 H new ATOM 325 N LEU A 21 10.806 -7.680 -5.811 1.00 35.42 N ATOM 326 CA LEU A 21 9.546 -8.187 -5.277 1.00 12.31 C ATOM 327 C LEU A 21 9.581 -9.706 -5.146 1.00 41.04 C ATOM 328 O LEU A 21 8.792 -10.294 -4.406 1.00 43.12 O ATOM 329 CB LEU A 21 8.382 -7.768 -6.177 1.00 44.35 C ATOM 330 CG LEU A 21 7.914 -6.319 -6.038 1.00 14.12 C ATOM 331 CD1 LEU A 21 6.945 -5.961 -7.155 1.00 22.34 C ATOM 332 CD2 LEU A 21 7.268 -6.096 -4.678 1.00 22.01 C ATOM 0 H LEU A 21 10.716 -7.160 -6.684 1.00 35.42 H new ATOM 0 HA LEU A 21 9.403 -7.759 -4.285 1.00 12.31 H new ATOM 0 HB2 LEU A 21 8.672 -7.937 -7.214 1.00 44.35 H new ATOM 0 HB3 LEU A 21 7.536 -8.423 -5.971 1.00 44.35 H new ATOM 0 HG LEU A 21 8.784 -5.667 -6.117 1.00 14.12 H new ATOM 0 HD11 LEU A 21 6.623 -4.926 -7.039 1.00 22.34 H new ATOM 0 HD12 LEU A 21 7.440 -6.081 -8.119 1.00 22.34 H new ATOM 0 HD13 LEU A 21 6.077 -6.619 -7.108 1.00 22.34 H new ATOM 0 HD21 LEU A 21 6.941 -5.059 -4.596 1.00 22.01 H new ATOM 0 HD22 LEU A 21 6.408 -6.757 -4.571 1.00 22.01 H new ATOM 0 HD23 LEU A 21 7.992 -6.311 -3.892 1.00 22.01 H new ATOM 344 N ASP A 22 10.502 -10.335 -5.868 1.00 72.32 N ATOM 345 CA ASP A 22 10.643 -11.786 -5.831 1.00 34.32 C ATOM 346 C ASP A 22 11.603 -12.211 -4.724 1.00 42.43 C ATOM 347 O ASP A 22 11.988 -13.376 -4.636 1.00 62.14 O ATOM 348 CB ASP A 22 11.138 -12.307 -7.181 1.00 0.01 C ATOM 349 CG ASP A 22 10.930 -13.801 -7.337 1.00 41.50 C ATOM 350 OD1 ASP A 22 9.868 -14.299 -6.910 1.00 71.12 O ATOM 351 OD2 ASP A 22 11.830 -14.471 -7.885 1.00 70.14 O ATOM 0 H ASP A 22 11.162 -9.863 -6.486 1.00 72.32 H new ATOM 0 HA ASP A 22 9.663 -12.216 -5.622 1.00 34.32 H new ATOM 0 HB2 ASP A 22 10.615 -11.785 -7.982 1.00 0.01 H new ATOM 0 HB3 ASP A 22 12.198 -12.077 -7.289 1.00 0.01 H new ATOM 356 N ALA A 23 11.987 -11.256 -3.883 1.00 21.42 N ATOM 357 CA ALA A 23 12.902 -11.531 -2.782 1.00 32.43 C ATOM 358 C ALA A 23 12.436 -10.852 -1.498 1.00 61.24 C ATOM 359 O ALA A 23 12.411 -11.467 -0.432 1.00 60.43 O ATOM 360 CB ALA A 23 14.310 -11.079 -3.140 1.00 13.03 C ATOM 0 H ALA A 23 11.679 -10.286 -3.943 1.00 21.42 H new ATOM 0 HA ALA A 23 12.911 -12.607 -2.610 1.00 32.43 H new ATOM 0 HB1 ALA A 23 14.982 -11.291 -2.309 1.00 13.03 H new ATOM 0 HB2 ALA A 23 14.650 -11.614 -4.027 1.00 13.03 H new ATOM 0 HB3 ALA A 23 14.308 -10.008 -3.342 1.00 13.03 H new ATOM 366 N VAL A 24 12.068 -9.579 -1.608 1.00 23.54 N ATOM 367 CA VAL A 24 11.603 -8.817 -0.456 1.00 11.54 C ATOM 368 C VAL A 24 10.362 -9.453 0.160 1.00 23.45 C ATOM 369 O VAL A 24 10.161 -9.398 1.373 1.00 12.42 O ATOM 370 CB VAL A 24 11.282 -7.360 -0.840 1.00 12.13 C ATOM 371 CG1 VAL A 24 12.520 -6.667 -1.387 1.00 40.51 C ATOM 372 CG2 VAL A 24 10.145 -7.314 -1.849 1.00 53.21 C ATOM 0 H VAL A 24 12.083 -9.055 -2.483 1.00 23.54 H new ATOM 0 HA VAL A 24 12.412 -8.824 0.275 1.00 11.54 H new ATOM 0 HB VAL A 24 10.964 -6.828 0.056 1.00 12.13 H new ATOM 0 HG11 VAL A 24 12.274 -5.639 -1.653 1.00 40.51 H new ATOM 0 HG12 VAL A 24 13.303 -6.668 -0.628 1.00 40.51 H new ATOM 0 HG13 VAL A 24 12.872 -7.196 -2.272 1.00 40.51 H new ATOM 0 HG21 VAL A 24 9.931 -6.277 -2.109 1.00 53.21 H new ATOM 0 HG22 VAL A 24 10.433 -7.862 -2.747 1.00 53.21 H new ATOM 0 HG23 VAL A 24 9.255 -7.770 -1.415 1.00 53.21 H new ATOM 382 N ALA A 25 9.534 -10.059 -0.684 1.00 34.13 N ATOM 383 CA ALA A 25 8.313 -10.709 -0.222 1.00 65.30 C ATOM 384 C ALA A 25 8.624 -11.793 0.805 1.00 13.22 C ATOM 385 O ALA A 25 7.763 -12.174 1.599 1.00 42.14 O ATOM 386 CB ALA A 25 7.551 -11.298 -1.400 1.00 23.53 C ATOM 0 H ALA A 25 9.686 -10.114 -1.691 1.00 34.13 H new ATOM 0 HA ALA A 25 7.689 -9.956 0.260 1.00 65.30 H new ATOM 0 HB1 ALA A 25 6.642 -11.780 -1.041 1.00 23.53 H new ATOM 0 HB2 ALA A 25 7.289 -10.503 -2.098 1.00 23.53 H new ATOM 0 HB3 ALA A 25 8.176 -12.034 -1.906 1.00 23.53 H new ATOM 392 N SER A 26 9.858 -12.286 0.784 1.00 11.43 N ATOM 393 CA SER A 26 10.280 -13.329 1.711 1.00 22.13 C ATOM 394 C SER A 26 11.246 -12.772 2.753 1.00 70.22 C ATOM 395 O SER A 26 11.840 -13.520 3.528 1.00 71.40 O ATOM 396 CB SER A 26 10.941 -14.480 0.950 1.00 1.02 C ATOM 397 OG SER A 26 10.185 -14.836 -0.194 1.00 54.41 O ATOM 0 H SER A 26 10.583 -11.980 0.135 1.00 11.43 H new ATOM 0 HA SER A 26 9.395 -13.703 2.225 1.00 22.13 H new ATOM 0 HB2 SER A 26 11.948 -14.190 0.649 1.00 1.02 H new ATOM 0 HB3 SER A 26 11.041 -15.344 1.607 1.00 1.02 H new ATOM 0 HG SER A 26 10.629 -15.572 -0.664 1.00 54.41 H new ATOM 403 N GLY A 27 11.398 -11.451 2.764 1.00 74.22 N ATOM 404 CA GLY A 27 12.292 -10.815 3.713 1.00 21.12 C ATOM 405 C GLY A 27 13.232 -9.827 3.052 1.00 52.53 C ATOM 406 O GLY A 27 14.339 -10.185 2.651 1.00 74.02 O ATOM 0 H GLY A 27 10.918 -10.810 2.132 1.00 74.22 H new ATOM 0 HA2 GLY A 27 11.704 -10.300 4.472 1.00 21.12 H new ATOM 0 HA3 GLY A 27 12.876 -11.579 4.226 1.00 21.12 H new ATOM 410 N ALA A 28 12.789 -8.579 2.936 1.00 45.33 N ATOM 411 CA ALA A 28 13.599 -7.536 2.318 1.00 0.54 C ATOM 412 C ALA A 28 14.868 -7.277 3.123 1.00 0.14 C ATOM 413 O ALA A 28 15.950 -7.738 2.760 1.00 32.41 O ATOM 414 CB ALA A 28 12.791 -6.254 2.178 1.00 73.25 C ATOM 0 H ALA A 28 11.874 -8.266 3.262 1.00 45.33 H new ATOM 0 HA ALA A 28 13.893 -7.879 1.326 1.00 0.54 H new ATOM 0 HB1 ALA A 28 13.408 -5.484 1.715 1.00 73.25 H new ATOM 0 HB2 ALA A 28 11.916 -6.441 1.555 1.00 73.25 H new ATOM 0 HB3 ALA A 28 12.469 -5.917 3.163 1.00 73.25 H new ATOM 420 N SER A 29 14.728 -6.536 4.218 1.00 43.21 N ATOM 421 CA SER A 29 15.865 -6.212 5.072 1.00 31.01 C ATOM 422 C SER A 29 16.959 -5.507 4.276 1.00 23.51 C ATOM 423 O SER A 29 18.127 -5.509 4.668 1.00 1.30 O ATOM 424 CB SER A 29 16.424 -7.482 5.716 1.00 22.10 C ATOM 425 OG SER A 29 17.483 -8.022 4.944 1.00 53.22 O ATOM 0 H SER A 29 13.839 -6.149 4.534 1.00 43.21 H new ATOM 0 HA SER A 29 15.519 -5.538 5.856 1.00 31.01 H new ATOM 0 HB2 SER A 29 16.781 -7.257 6.721 1.00 22.10 H new ATOM 0 HB3 SER A 29 15.630 -8.222 5.818 1.00 22.10 H new ATOM 0 HG SER A 29 17.204 -8.088 4.007 1.00 53.22 H new ATOM 431 N LEU A 30 16.573 -4.906 3.156 1.00 24.31 N ATOM 432 CA LEU A 30 17.521 -4.197 2.303 1.00 13.11 C ATOM 433 C LEU A 30 17.942 -2.876 2.938 1.00 13.42 C ATOM 434 O LEU A 30 17.573 -2.575 4.073 1.00 64.31 O ATOM 435 CB LEU A 30 16.905 -3.941 0.926 1.00 12.25 C ATOM 436 CG LEU A 30 17.468 -4.773 -0.226 1.00 75.40 C ATOM 437 CD1 LEU A 30 18.988 -4.740 -0.216 1.00 31.43 C ATOM 438 CD2 LEU A 30 16.963 -6.207 -0.145 1.00 12.33 C ATOM 0 H LEU A 30 15.611 -4.895 2.817 1.00 24.31 H new ATOM 0 HA LEU A 30 18.407 -4.822 2.188 1.00 13.11 H new ATOM 0 HB2 LEU A 30 15.832 -4.125 0.990 1.00 12.25 H new ATOM 0 HB3 LEU A 30 17.034 -2.886 0.683 1.00 12.25 H new ATOM 0 HG LEU A 30 17.122 -4.339 -1.164 1.00 75.40 H new ATOM 0 HD11 LEU A 30 19.370 -5.338 -1.043 1.00 31.43 H new ATOM 0 HD12 LEU A 30 19.330 -3.711 -0.324 1.00 31.43 H new ATOM 0 HD13 LEU A 30 19.355 -5.148 0.726 1.00 31.43 H new ATOM 0 HD21 LEU A 30 17.374 -6.785 -0.973 1.00 12.33 H new ATOM 0 HD22 LEU A 30 17.278 -6.651 0.799 1.00 12.33 H new ATOM 0 HD23 LEU A 30 15.875 -6.213 -0.203 1.00 12.33 H new ATOM 450 N GLY A 31 18.715 -2.088 2.197 1.00 71.05 N ATOM 451 CA GLY A 31 19.171 -0.807 2.703 1.00 45.00 C ATOM 452 C GLY A 31 19.887 0.012 1.647 1.00 4.03 C ATOM 453 O GLY A 31 19.801 1.240 1.638 1.00 11.55 O ATOM 0 H GLY A 31 19.034 -2.314 1.255 1.00 71.05 H new ATOM 0 HA2 GLY A 31 18.317 -0.243 3.078 1.00 45.00 H new ATOM 0 HA3 GLY A 31 19.841 -0.971 3.547 1.00 45.00 H new ATOM 457 N THR A 32 20.599 -0.669 0.754 1.00 0.31 N ATOM 458 CA THR A 32 21.335 0.003 -0.309 1.00 4.30 C ATOM 459 C THR A 32 20.650 -0.187 -1.657 1.00 42.44 C ATOM 460 O THR A 32 20.775 0.650 -2.551 1.00 12.31 O ATOM 461 CB THR A 32 22.783 -0.515 -0.404 1.00 11.30 C ATOM 462 OG1 THR A 32 23.463 -0.298 0.837 1.00 4.51 O ATOM 463 CG2 THR A 32 23.534 0.182 -1.529 1.00 21.43 C ATOM 0 H THR A 32 20.681 -1.686 0.746 1.00 0.31 H new ATOM 0 HA THR A 32 21.352 1.064 -0.060 1.00 4.30 H new ATOM 0 HB THR A 32 22.751 -1.583 -0.618 1.00 11.30 H new ATOM 0 HG1 THR A 32 24.382 -0.631 0.769 1.00 4.51 H new ATOM 0 HG21 THR A 32 24.554 -0.200 -1.577 1.00 21.43 H new ATOM 0 HG22 THR A 32 23.030 -0.010 -2.476 1.00 21.43 H new ATOM 0 HG23 THR A 32 23.557 1.255 -1.341 1.00 21.43 H new ATOM 471 N ALA A 33 19.926 -1.292 -1.797 1.00 52.03 N ATOM 472 CA ALA A 33 19.218 -1.590 -3.036 1.00 43.04 C ATOM 473 C ALA A 33 17.834 -0.950 -3.046 1.00 22.01 C ATOM 474 O ALA A 33 17.346 -0.519 -4.091 1.00 12.15 O ATOM 475 CB ALA A 33 19.108 -3.095 -3.232 1.00 55.21 C ATOM 0 H ALA A 33 19.814 -1.996 -1.068 1.00 52.03 H new ATOM 0 HA ALA A 33 19.790 -1.168 -3.863 1.00 43.04 H new ATOM 0 HB1 ALA A 33 18.577 -3.303 -4.161 1.00 55.21 H new ATOM 0 HB2 ALA A 33 20.106 -3.530 -3.279 1.00 55.21 H new ATOM 0 HB3 ALA A 33 18.561 -3.532 -2.396 1.00 55.21 H new ATOM 481 N PHE A 34 17.206 -0.892 -1.876 1.00 43.01 N ATOM 482 CA PHE A 34 15.877 -0.306 -1.750 1.00 51.03 C ATOM 483 C PHE A 34 15.910 1.188 -2.059 1.00 13.12 C ATOM 484 O PHE A 34 14.985 1.728 -2.665 1.00 14.03 O ATOM 485 CB PHE A 34 15.326 -0.535 -0.341 1.00 65.32 C ATOM 486 CG PHE A 34 13.827 -0.492 -0.269 1.00 11.21 C ATOM 487 CD1 PHE A 34 13.061 -1.452 -0.911 1.00 1.31 C ATOM 488 CD2 PHE A 34 13.183 0.509 0.441 1.00 20.43 C ATOM 489 CE1 PHE A 34 11.681 -1.413 -0.847 1.00 21.45 C ATOM 490 CE2 PHE A 34 11.803 0.552 0.509 1.00 21.25 C ATOM 491 CZ PHE A 34 11.051 -0.411 -0.135 1.00 23.25 C ATOM 0 H PHE A 34 17.596 -1.244 -1.002 1.00 43.01 H new ATOM 0 HA PHE A 34 15.222 -0.794 -2.472 1.00 51.03 H new ATOM 0 HB2 PHE A 34 15.672 -1.503 0.023 1.00 65.32 H new ATOM 0 HB3 PHE A 34 15.736 0.222 0.328 1.00 65.32 H new ATOM 0 HD1 PHE A 34 13.548 -2.239 -1.467 1.00 1.31 H new ATOM 0 HD2 PHE A 34 13.766 1.264 0.947 1.00 20.43 H new ATOM 0 HE1 PHE A 34 11.095 -2.166 -1.354 1.00 21.45 H new ATOM 0 HE2 PHE A 34 11.313 1.338 1.065 1.00 21.25 H new ATOM 0 HZ PHE A 34 9.973 -0.381 -0.082 1.00 23.25 H new ATOM 501 N ALA A 35 16.982 1.850 -1.637 1.00 20.14 N ATOM 502 CA ALA A 35 17.137 3.281 -1.868 1.00 60.44 C ATOM 503 C ALA A 35 17.524 3.563 -3.316 1.00 4.41 C ATOM 504 O ALA A 35 17.273 4.651 -3.835 1.00 32.45 O ATOM 505 CB ALA A 35 18.176 3.860 -0.919 1.00 72.52 C ATOM 0 H ALA A 35 17.756 1.418 -1.133 1.00 20.14 H new ATOM 0 HA ALA A 35 16.178 3.762 -1.675 1.00 60.44 H new ATOM 0 HB1 ALA A 35 18.281 4.929 -1.103 1.00 72.52 H new ATOM 0 HB2 ALA A 35 17.858 3.699 0.111 1.00 72.52 H new ATOM 0 HB3 ALA A 35 19.134 3.367 -1.084 1.00 72.52 H new ATOM 511 N ALA A 36 18.138 2.578 -3.963 1.00 5.04 N ATOM 512 CA ALA A 36 18.559 2.721 -5.351 1.00 4.12 C ATOM 513 C ALA A 36 17.377 2.568 -6.301 1.00 60.45 C ATOM 514 O ALA A 36 17.453 2.954 -7.468 1.00 72.43 O ATOM 515 CB ALA A 36 19.641 1.703 -5.682 1.00 11.41 C ATOM 0 H ALA A 36 18.355 1.672 -3.548 1.00 5.04 H new ATOM 0 HA ALA A 36 18.967 3.723 -5.480 1.00 4.12 H new ATOM 0 HB1 ALA A 36 19.946 1.821 -6.722 1.00 11.41 H new ATOM 0 HB2 ALA A 36 20.501 1.862 -5.031 1.00 11.41 H new ATOM 0 HB3 ALA A 36 19.252 0.696 -5.530 1.00 11.41 H new ATOM 521 N ILE A 37 16.287 2.002 -5.795 1.00 74.45 N ATOM 522 CA ILE A 37 15.089 1.798 -6.600 1.00 74.24 C ATOM 523 C ILE A 37 14.008 2.813 -6.244 1.00 51.14 C ATOM 524 O ILE A 37 13.106 3.080 -7.039 1.00 54.42 O ATOM 525 CB ILE A 37 14.523 0.377 -6.418 1.00 14.21 C ATOM 526 CG1 ILE A 37 14.196 0.120 -4.945 1.00 53.15 C ATOM 527 CG2 ILE A 37 15.511 -0.657 -6.935 1.00 61.21 C ATOM 528 CD1 ILE A 37 13.202 -1.000 -4.734 1.00 34.21 C ATOM 0 H ILE A 37 16.209 1.677 -4.832 1.00 74.45 H new ATOM 0 HA ILE A 37 15.382 1.933 -7.641 1.00 74.24 H new ATOM 0 HB ILE A 37 13.603 0.291 -6.996 1.00 14.21 H new ATOM 0 HG12 ILE A 37 15.117 -0.117 -4.413 1.00 53.15 H new ATOM 0 HG13 ILE A 37 13.800 1.035 -4.504 1.00 53.15 H new ATOM 0 HG21 ILE A 37 15.097 -1.656 -6.799 1.00 61.21 H new ATOM 0 HG22 ILE A 37 15.699 -0.483 -7.994 1.00 61.21 H new ATOM 0 HG23 ILE A 37 16.447 -0.574 -6.382 1.00 61.21 H new ATOM 0 HD11 ILE A 37 13.017 -1.126 -3.667 1.00 34.21 H new ATOM 0 HD12 ILE A 37 12.267 -0.756 -5.238 1.00 34.21 H new ATOM 0 HD13 ILE A 37 13.605 -1.926 -5.145 1.00 34.21 H new ATOM 540 N LEU A 38 14.106 3.377 -5.046 1.00 1.51 N ATOM 541 CA LEU A 38 13.138 4.366 -4.584 1.00 52.11 C ATOM 542 C LEU A 38 13.746 5.765 -4.582 1.00 24.32 C ATOM 543 O LEU A 38 13.222 6.680 -3.949 1.00 53.13 O ATOM 544 CB LEU A 38 12.645 4.010 -3.180 1.00 62.54 C ATOM 545 CG LEU A 38 11.307 3.274 -3.105 1.00 54.34 C ATOM 546 CD1 LEU A 38 11.460 1.836 -3.576 1.00 43.44 C ATOM 547 CD2 LEU A 38 10.753 3.317 -1.689 1.00 3.15 C ATOM 0 H LEU A 38 14.846 3.167 -4.376 1.00 1.51 H new ATOM 0 HA LEU A 38 12.293 4.358 -5.272 1.00 52.11 H new ATOM 0 HB2 LEU A 38 13.403 3.394 -2.696 1.00 62.54 H new ATOM 0 HB3 LEU A 38 12.564 4.930 -2.601 1.00 62.54 H new ATOM 0 HG LEU A 38 10.601 3.777 -3.766 1.00 54.34 H new ATOM 0 HD11 LEU A 38 10.497 1.329 -3.515 1.00 43.44 H new ATOM 0 HD12 LEU A 38 11.811 1.827 -4.608 1.00 43.44 H new ATOM 0 HD13 LEU A 38 12.182 1.321 -2.943 1.00 43.44 H new ATOM 0 HD21 LEU A 38 9.800 2.788 -1.655 1.00 3.15 H new ATOM 0 HD22 LEU A 38 11.458 2.840 -1.008 1.00 3.15 H new ATOM 0 HD23 LEU A 38 10.603 4.354 -1.388 1.00 3.15 H new ATOM 559 N GLY A 39 14.857 5.923 -5.296 1.00 72.31 N ATOM 560 CA GLY A 39 15.517 7.213 -5.365 1.00 25.04 C ATOM 561 C GLY A 39 15.365 7.871 -6.722 1.00 21.03 C ATOM 562 O GLY A 39 15.641 9.061 -6.877 1.00 75.34 O ATOM 0 H GLY A 39 15.311 5.180 -5.828 1.00 72.31 H new ATOM 0 HA2 GLY A 39 15.105 7.870 -4.598 1.00 25.04 H new ATOM 0 HA3 GLY A 39 16.577 7.088 -5.142 1.00 25.04 H new ATOM 566 N VAL A 40 14.927 7.095 -7.708 1.00 14.10 N ATOM 567 CA VAL A 40 14.739 7.609 -9.059 1.00 53.43 C ATOM 568 C VAL A 40 13.509 8.507 -9.140 1.00 21.03 C ATOM 569 O VAL A 40 13.465 9.450 -9.931 1.00 32.13 O ATOM 570 CB VAL A 40 14.593 6.465 -10.080 1.00 42.21 C ATOM 571 CG1 VAL A 40 13.486 5.511 -9.659 1.00 11.22 C ATOM 572 CG2 VAL A 40 14.328 7.023 -11.470 1.00 74.43 C ATOM 0 H VAL A 40 14.696 6.108 -7.596 1.00 14.10 H new ATOM 0 HA VAL A 40 15.628 8.192 -9.302 1.00 53.43 H new ATOM 0 HB VAL A 40 15.528 5.906 -10.110 1.00 42.21 H new ATOM 0 HG11 VAL A 40 13.398 4.710 -10.393 1.00 11.22 H new ATOM 0 HG12 VAL A 40 13.723 5.086 -8.684 1.00 11.22 H new ATOM 0 HG13 VAL A 40 12.542 6.053 -9.598 1.00 11.22 H new ATOM 0 HG21 VAL A 40 14.228 6.201 -12.179 1.00 74.43 H new ATOM 0 HG22 VAL A 40 13.408 7.607 -11.458 1.00 74.43 H new ATOM 0 HG23 VAL A 40 15.159 7.662 -11.770 1.00 74.43 H new ATOM 582 N THR A 41 12.510 8.208 -8.315 1.00 1.42 N ATOM 583 CA THR A 41 11.279 8.987 -8.292 1.00 54.43 C ATOM 584 C THR A 41 10.785 9.195 -6.865 1.00 44.20 C ATOM 585 O THR A 41 10.333 10.283 -6.506 1.00 3.24 O ATOM 586 CB THR A 41 10.168 8.306 -9.113 1.00 74.31 C ATOM 587 OG1 THR A 41 8.921 8.978 -8.904 1.00 10.51 O ATOM 588 CG2 THR A 41 10.030 6.841 -8.726 1.00 64.13 C ATOM 0 H THR A 41 12.530 7.431 -7.654 1.00 1.42 H new ATOM 0 HA THR A 41 11.510 9.954 -8.738 1.00 54.43 H new ATOM 0 HB THR A 41 10.439 8.364 -10.167 1.00 74.31 H new ATOM 0 HG1 THR A 41 8.368 8.899 -9.709 1.00 10.51 H new ATOM 0 HG21 THR A 41 9.239 6.381 -9.319 1.00 64.13 H new ATOM 0 HG22 THR A 41 10.971 6.325 -8.914 1.00 64.13 H new ATOM 0 HG23 THR A 41 9.780 6.766 -7.668 1.00 64.13 H new ATOM 596 N LEU A 42 10.875 8.147 -6.054 1.00 64.45 N ATOM 597 CA LEU A 42 10.439 8.214 -4.664 1.00 54.52 C ATOM 598 C LEU A 42 11.432 9.005 -3.819 1.00 42.43 C ATOM 599 O LEU A 42 12.593 9.186 -4.188 1.00 53.24 O ATOM 600 CB LEU A 42 10.273 6.806 -4.092 1.00 31.32 C ATOM 601 CG LEU A 42 8.894 6.168 -4.266 1.00 11.32 C ATOM 602 CD1 LEU A 42 8.842 5.350 -5.546 1.00 70.25 C ATOM 603 CD2 LEU A 42 8.551 5.302 -3.063 1.00 21.03 C ATOM 0 H LEU A 42 11.246 7.240 -6.336 1.00 64.45 H new ATOM 0 HA LEU A 42 9.477 8.726 -4.636 1.00 54.52 H new ATOM 0 HB2 LEU A 42 11.013 6.156 -4.559 1.00 31.32 H new ATOM 0 HB3 LEU A 42 10.504 6.839 -3.027 1.00 31.32 H new ATOM 0 HG LEU A 42 8.153 6.964 -4.338 1.00 11.32 H new ATOM 0 HD11 LEU A 42 7.853 4.904 -5.653 1.00 70.25 H new ATOM 0 HD12 LEU A 42 9.042 5.997 -6.400 1.00 70.25 H new ATOM 0 HD13 LEU A 42 9.593 4.561 -5.505 1.00 70.25 H new ATOM 0 HD21 LEU A 42 7.566 4.856 -3.204 1.00 21.03 H new ATOM 0 HD22 LEU A 42 9.295 4.512 -2.959 1.00 21.03 H new ATOM 0 HD23 LEU A 42 8.545 5.916 -2.162 1.00 21.03 H new ATOM 615 N PRO A 43 10.969 9.487 -2.656 1.00 53.25 N ATOM 616 CA PRO A 43 11.801 10.264 -1.733 1.00 42.14 C ATOM 617 C PRO A 43 12.875 9.413 -1.065 1.00 64.21 C ATOM 618 O PRO A 43 13.090 8.261 -1.440 1.00 70.43 O ATOM 619 CB PRO A 43 10.799 10.773 -0.694 1.00 71.14 C ATOM 620 CG PRO A 43 9.683 9.786 -0.729 1.00 42.34 C ATOM 621 CD PRO A 43 9.596 9.310 -2.153 1.00 62.00 C ATOM 0 HA PRO A 43 12.345 11.058 -2.245 1.00 42.14 H new ATOM 0 HB2 PRO A 43 11.249 10.827 0.297 1.00 71.14 H new ATOM 0 HB3 PRO A 43 10.449 11.776 -0.940 1.00 71.14 H new ATOM 0 HG2 PRO A 43 9.876 8.955 -0.051 1.00 42.34 H new ATOM 0 HG3 PRO A 43 8.746 10.245 -0.413 1.00 42.34 H new ATOM 0 HD2 PRO A 43 9.278 8.269 -2.210 1.00 62.00 H new ATOM 0 HD3 PRO A 43 8.878 9.894 -2.729 1.00 62.00 H new ATOM 629 N ALA A 44 13.547 9.988 -0.073 1.00 63.20 N ATOM 630 CA ALA A 44 14.597 9.280 0.649 1.00 5.40 C ATOM 631 C ALA A 44 14.112 8.831 2.023 1.00 1.10 C ATOM 632 O ALA A 44 14.589 7.834 2.565 1.00 62.25 O ATOM 633 CB ALA A 44 15.830 10.162 0.785 1.00 63.32 C ATOM 0 H ALA A 44 13.383 10.942 0.249 1.00 63.20 H new ATOM 0 HA ALA A 44 14.861 8.390 0.077 1.00 5.40 H new ATOM 0 HB1 ALA A 44 16.606 9.621 1.326 1.00 63.32 H new ATOM 0 HB2 ALA A 44 16.197 10.429 -0.206 1.00 63.32 H new ATOM 0 HB3 ALA A 44 15.571 11.068 1.332 1.00 63.32 H new ATOM 639 N TRP A 45 13.163 9.573 2.581 1.00 34.03 N ATOM 640 CA TRP A 45 12.614 9.251 3.894 1.00 75.55 C ATOM 641 C TRP A 45 11.771 7.981 3.834 1.00 23.02 C ATOM 642 O TRP A 45 11.645 7.262 4.825 1.00 12.30 O ATOM 643 CB TRP A 45 11.769 10.414 4.416 1.00 73.15 C ATOM 644 CG TRP A 45 10.531 10.659 3.607 1.00 71.22 C ATOM 645 CD1 TRP A 45 10.373 11.577 2.608 1.00 33.21 C ATOM 646 CD2 TRP A 45 9.278 9.977 3.730 1.00 51.10 C ATOM 647 NE1 TRP A 45 9.097 11.507 2.103 1.00 73.20 N ATOM 648 CE2 TRP A 45 8.406 10.533 2.774 1.00 75.23 C ATOM 649 CE3 TRP A 45 8.809 8.950 4.553 1.00 14.23 C ATOM 650 CZ2 TRP A 45 7.092 10.095 2.621 1.00 5.54 C ATOM 651 CZ3 TRP A 45 7.505 8.518 4.401 1.00 20.42 C ATOM 652 CH2 TRP A 45 6.659 9.089 3.441 1.00 64.20 C ATOM 0 H TRP A 45 12.757 10.401 2.146 1.00 34.03 H new ATOM 0 HA TRP A 45 13.446 9.081 4.577 1.00 75.55 H new ATOM 0 HB2 TRP A 45 11.485 10.213 5.449 1.00 73.15 H new ATOM 0 HB3 TRP A 45 12.375 11.320 4.423 1.00 73.15 H new ATOM 0 HD1 TRP A 45 11.138 12.258 2.265 1.00 33.21 H new ATOM 0 HE1 TRP A 45 8.725 12.086 1.351 1.00 73.20 H new ATOM 0 HE3 TRP A 45 9.454 8.502 5.295 1.00 14.23 H new ATOM 0 HZ2 TRP A 45 6.439 10.534 1.881 1.00 5.54 H new ATOM 0 HZ3 TRP A 45 7.131 7.726 5.033 1.00 20.42 H new ATOM 0 HH2 TRP A 45 5.646 8.728 3.347 1.00 64.20 H new ATOM 663 N ALA A 46 11.197 7.711 2.666 1.00 23.23 N ATOM 664 CA ALA A 46 10.369 6.526 2.478 1.00 10.31 C ATOM 665 C ALA A 46 11.098 5.268 2.936 1.00 24.11 C ATOM 666 O ALA A 46 10.474 4.299 3.370 1.00 72.00 O ATOM 667 CB ALA A 46 9.955 6.398 1.020 1.00 65.35 C ATOM 0 H ALA A 46 11.290 8.297 1.836 1.00 23.23 H new ATOM 0 HA ALA A 46 9.474 6.638 3.090 1.00 10.31 H new ATOM 0 HB1 ALA A 46 9.337 5.509 0.894 1.00 65.35 H new ATOM 0 HB2 ALA A 46 9.387 7.280 0.724 1.00 65.35 H new ATOM 0 HB3 ALA A 46 10.844 6.313 0.395 1.00 65.35 H new ATOM 673 N LEU A 47 12.423 5.288 2.836 1.00 11.24 N ATOM 674 CA LEU A 47 13.238 4.148 3.240 1.00 22.20 C ATOM 675 C LEU A 47 13.077 3.864 4.730 1.00 25.21 C ATOM 676 O LEU A 47 13.024 2.708 5.149 1.00 1.15 O ATOM 677 CB LEU A 47 14.710 4.407 2.915 1.00 41.45 C ATOM 678 CG LEU A 47 15.004 4.936 1.510 1.00 31.30 C ATOM 679 CD1 LEU A 47 16.474 5.300 1.374 1.00 50.35 C ATOM 680 CD2 LEU A 47 14.608 3.908 0.460 1.00 54.10 C ATOM 0 H LEU A 47 12.955 6.081 2.479 1.00 11.24 H new ATOM 0 HA LEU A 47 12.898 3.275 2.684 1.00 22.20 H new ATOM 0 HB2 LEU A 47 15.101 5.121 3.640 1.00 41.45 H new ATOM 0 HB3 LEU A 47 15.261 3.477 3.054 1.00 41.45 H new ATOM 0 HG LEU A 47 14.411 5.837 1.350 1.00 31.30 H new ATOM 0 HD11 LEU A 47 16.665 5.674 0.368 1.00 50.35 H new ATOM 0 HD12 LEU A 47 16.727 6.071 2.102 1.00 50.35 H new ATOM 0 HD13 LEU A 47 17.086 4.416 1.554 1.00 50.35 H new ATOM 0 HD21 LEU A 47 14.824 4.301 -0.534 1.00 54.10 H new ATOM 0 HD22 LEU A 47 15.174 2.990 0.618 1.00 54.10 H new ATOM 0 HD23 LEU A 47 13.542 3.696 0.542 1.00 54.10 H new ATOM 692 N ALA A 48 12.999 4.926 5.525 1.00 52.34 N ATOM 693 CA ALA A 48 12.840 4.791 6.967 1.00 13.22 C ATOM 694 C ALA A 48 11.480 4.196 7.316 1.00 12.01 C ATOM 695 O ALA A 48 11.311 3.587 8.372 1.00 71.32 O ATOM 696 CB ALA A 48 13.017 6.141 7.646 1.00 1.13 C ATOM 0 H ALA A 48 13.043 5.890 5.194 1.00 52.34 H new ATOM 0 HA ALA A 48 13.610 4.110 7.330 1.00 13.22 H new ATOM 0 HB1 ALA A 48 12.896 6.025 8.723 1.00 1.13 H new ATOM 0 HB2 ALA A 48 14.014 6.528 7.433 1.00 1.13 H new ATOM 0 HB3 ALA A 48 12.269 6.839 7.269 1.00 1.13 H new ATOM 702 N ALA A 49 10.513 4.377 6.423 1.00 52.43 N ATOM 703 CA ALA A 49 9.168 3.857 6.636 1.00 1.01 C ATOM 704 C ALA A 49 9.079 2.387 6.242 1.00 65.41 C ATOM 705 O ALA A 49 8.202 1.661 6.709 1.00 24.21 O ATOM 706 CB ALA A 49 8.154 4.677 5.853 1.00 41.53 C ATOM 0 H ALA A 49 10.636 4.880 5.544 1.00 52.43 H new ATOM 0 HA ALA A 49 8.939 3.936 7.699 1.00 1.01 H new ATOM 0 HB1 ALA A 49 7.154 4.277 6.022 1.00 41.53 H new ATOM 0 HB2 ALA A 49 8.191 5.714 6.185 1.00 41.53 H new ATOM 0 HB3 ALA A 49 8.390 4.628 4.790 1.00 41.53 H new ATOM 712 N ALA A 50 9.993 1.954 5.379 1.00 51.11 N ATOM 713 CA ALA A 50 10.018 0.570 4.923 1.00 22.21 C ATOM 714 C ALA A 50 10.663 -0.339 5.964 1.00 33.20 C ATOM 715 O ALA A 50 10.415 -1.544 5.989 1.00 12.00 O ATOM 716 CB ALA A 50 10.757 0.464 3.597 1.00 1.12 C ATOM 0 H ALA A 50 10.726 2.542 4.982 1.00 51.11 H new ATOM 0 HA ALA A 50 8.988 0.242 4.780 1.00 22.21 H new ATOM 0 HB1 ALA A 50 10.768 -0.575 3.269 1.00 1.12 H new ATOM 0 HB2 ALA A 50 10.252 1.076 2.849 1.00 1.12 H new ATOM 0 HB3 ALA A 50 11.781 0.816 3.722 1.00 1.12 H new ATOM 722 N GLY A 51 11.492 0.246 6.822 1.00 5.53 N ATOM 723 CA GLY A 51 12.160 -0.526 7.853 1.00 24.31 C ATOM 724 C GLY A 51 11.194 -1.360 8.671 1.00 71.25 C ATOM 725 O GLY A 51 11.532 -2.456 9.116 1.00 64.21 O ATOM 0 H GLY A 51 11.713 1.242 6.822 1.00 5.53 H new ATOM 0 HA2 GLY A 51 12.899 -1.181 7.391 1.00 24.31 H new ATOM 0 HA3 GLY A 51 12.702 0.150 8.515 1.00 24.31 H new ATOM 729 N ALA A 52 9.988 -0.839 8.870 1.00 75.43 N ATOM 730 CA ALA A 52 8.969 -1.544 9.639 1.00 40.52 C ATOM 731 C ALA A 52 7.616 -0.850 9.522 1.00 31.12 C ATOM 732 O ALA A 52 7.496 0.347 9.784 1.00 12.52 O ATOM 733 CB ALA A 52 9.387 -1.647 11.098 1.00 22.01 C ATOM 0 H ALA A 52 9.692 0.068 8.510 1.00 75.43 H new ATOM 0 HA ALA A 52 8.869 -2.549 9.229 1.00 40.52 H new ATOM 0 HB1 ALA A 52 8.617 -2.175 11.661 1.00 22.01 H new ATOM 0 HB2 ALA A 52 10.328 -2.193 11.169 1.00 22.01 H new ATOM 0 HB3 ALA A 52 9.516 -0.647 11.511 1.00 22.01 H new ATOM 739 N LEU A 53 6.600 -1.609 9.127 1.00 13.01 N ATOM 740 CA LEU A 53 5.254 -1.067 8.975 1.00 51.10 C ATOM 741 C LEU A 53 4.208 -2.174 9.061 1.00 41.11 C ATOM 742 O LEU A 53 4.543 -3.349 9.200 1.00 64.40 O ATOM 743 CB LEU A 53 5.127 -0.332 7.639 1.00 33.14 C ATOM 744 CG LEU A 53 5.368 1.177 7.678 1.00 1.31 C ATOM 745 CD1 LEU A 53 5.289 1.767 6.278 1.00 35.34 C ATOM 746 CD2 LEU A 53 4.366 1.854 8.602 1.00 54.15 C ATOM 0 H LEU A 53 6.682 -2.601 8.906 1.00 13.01 H new ATOM 0 HA LEU A 53 5.078 -0.363 9.788 1.00 51.10 H new ATOM 0 HB2 LEU A 53 5.832 -0.774 6.935 1.00 33.14 H new ATOM 0 HB3 LEU A 53 4.127 -0.510 7.243 1.00 33.14 H new ATOM 0 HG LEU A 53 6.370 1.355 8.069 1.00 1.31 H new ATOM 0 HD11 LEU A 53 5.463 2.842 6.326 1.00 35.34 H new ATOM 0 HD12 LEU A 53 6.046 1.305 5.645 1.00 35.34 H new ATOM 0 HD13 LEU A 53 4.301 1.578 5.859 1.00 35.34 H new ATOM 0 HD21 LEU A 53 4.553 2.928 8.617 1.00 54.15 H new ATOM 0 HD22 LEU A 53 3.355 1.667 8.242 1.00 54.15 H new ATOM 0 HD23 LEU A 53 4.472 1.453 9.610 1.00 54.15 H new ATOM 758 N GLY A 54 2.938 -1.789 8.975 1.00 21.40 N ATOM 759 CA GLY A 54 1.863 -2.761 9.043 1.00 75.30 C ATOM 760 C GLY A 54 1.180 -2.966 7.705 1.00 45.22 C ATOM 761 O GLY A 54 0.031 -3.401 7.647 1.00 53.43 O ATOM 0 H GLY A 54 2.635 -0.822 8.860 1.00 21.40 H new ATOM 0 HA2 GLY A 54 2.260 -3.713 9.394 1.00 75.30 H new ATOM 0 HA3 GLY A 54 1.127 -2.433 9.777 1.00 75.30 H new ATOM 765 N ALA A 55 1.890 -2.650 6.626 1.00 20.04 N ATOM 766 CA ALA A 55 1.346 -2.802 5.283 1.00 41.13 C ATOM 767 C ALA A 55 2.173 -3.788 4.464 1.00 14.10 C ATOM 768 O ALA A 55 3.200 -3.426 3.888 1.00 34.35 O ATOM 769 CB ALA A 55 1.285 -1.453 4.582 1.00 11.54 C ATOM 0 H ALA A 55 2.843 -2.287 6.657 1.00 20.04 H new ATOM 0 HA ALA A 55 0.335 -3.200 5.371 1.00 41.13 H new ATOM 0 HB1 ALA A 55 0.877 -1.582 3.580 1.00 11.54 H new ATOM 0 HB2 ALA A 55 0.646 -0.776 5.150 1.00 11.54 H new ATOM 0 HB3 ALA A 55 2.288 -1.033 4.514 1.00 11.54 H new ATOM 775 N THR A 56 1.719 -5.037 4.416 1.00 0.30 N ATOM 776 CA THR A 56 2.417 -6.075 3.670 1.00 65.44 C ATOM 777 C THR A 56 1.784 -6.289 2.300 1.00 53.53 C ATOM 778 O THR A 56 2.457 -6.686 1.349 1.00 14.11 O ATOM 779 CB THR A 56 2.420 -7.412 4.435 1.00 31.10 C ATOM 780 OG1 THR A 56 1.115 -8.001 4.397 1.00 0.44 O ATOM 781 CG2 THR A 56 2.848 -7.207 5.880 1.00 31.24 C ATOM 0 H THR A 56 0.871 -5.353 4.886 1.00 0.30 H new ATOM 0 HA THR A 56 3.445 -5.735 3.543 1.00 65.44 H new ATOM 0 HB THR A 56 3.134 -8.080 3.953 1.00 31.10 H new ATOM 0 HG1 THR A 56 1.126 -8.851 4.884 1.00 0.44 H new ATOM 0 HG21 THR A 56 2.843 -8.165 6.400 1.00 31.24 H new ATOM 0 HG22 THR A 56 3.853 -6.786 5.906 1.00 31.24 H new ATOM 0 HG23 THR A 56 2.156 -6.523 6.371 1.00 31.24 H new ATOM 789 N ALA A 57 0.485 -6.021 2.205 1.00 23.15 N ATOM 790 CA ALA A 57 -0.239 -6.181 0.950 1.00 24.24 C ATOM 791 C ALA A 57 -0.810 -4.851 0.473 1.00 54.41 C ATOM 792 O ALA A 57 -1.192 -4.709 -0.688 1.00 74.53 O ATOM 793 CB ALA A 57 -1.349 -7.209 1.109 1.00 14.32 C ATOM 0 H ALA A 57 -0.087 -5.692 2.983 1.00 23.15 H new ATOM 0 HA ALA A 57 0.463 -6.536 0.196 1.00 24.24 H new ATOM 0 HB1 ALA A 57 -1.882 -7.319 0.164 1.00 14.32 H new ATOM 0 HB2 ALA A 57 -0.918 -8.168 1.396 1.00 14.32 H new ATOM 0 HB3 ALA A 57 -2.044 -6.878 1.881 1.00 14.32 H new ATOM 799 N ALA A 58 -0.867 -3.878 1.377 1.00 41.24 N ATOM 800 CA ALA A 58 -1.391 -2.558 1.047 1.00 70.33 C ATOM 801 C ALA A 58 -0.660 -1.961 -0.151 1.00 75.12 C ATOM 802 O ALA A 58 -1.285 -1.555 -1.132 1.00 71.42 O ATOM 803 CB ALA A 58 -1.283 -1.632 2.249 1.00 40.22 C ATOM 0 H ALA A 58 -0.557 -3.979 2.343 1.00 41.24 H new ATOM 0 HA ALA A 58 -2.442 -2.668 0.780 1.00 70.33 H new ATOM 0 HB1 ALA A 58 -1.678 -0.650 1.988 1.00 40.22 H new ATOM 0 HB2 ALA A 58 -1.856 -2.045 3.079 1.00 40.22 H new ATOM 0 HB3 ALA A 58 -0.237 -1.537 2.542 1.00 40.22 H new TER 809 ALA A 58