USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 ILE H2 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -138:sc= -0.223 (180deg=-1.3) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.23 K(o=-0.23,f=-3.8!) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -1.63! C(o=-3.3!,f=-1.6!) USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.767 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0639 (180deg=-0.347) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -39:sc= 1.06 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 65:sc= 0.842 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.546 0.165 -1.151 1.00 72.14 N ATOM 2 CA ILE A 1 2.247 0.152 -2.429 1.00 74.04 C ATOM 3 C ILE A 1 2.013 -1.160 -3.171 1.00 3.10 C ATOM 4 O ILE A 1 2.127 -1.222 -4.395 1.00 54.54 O ATOM 5 CB ILE A 1 3.761 0.361 -2.243 1.00 41.00 C ATOM 6 CG1 ILE A 1 4.031 1.693 -1.540 1.00 45.14 C ATOM 7 CG2 ILE A 1 4.472 0.311 -3.587 1.00 50.02 C ATOM 8 CD1 ILE A 1 3.600 2.899 -2.345 1.00 12.10 C ATOM 0 H1 ILE A 1 1.107 1.096 -1.005 1.00 72.14 H new ATOM 0 H3 ILE A 1 2.221 -0.023 -0.383 1.00 72.14 H new ATOM 0 HA ILE A 1 1.845 0.976 -3.018 1.00 74.04 H new ATOM 0 HB ILE A 1 4.150 -0.443 -1.619 1.00 41.00 H new ATOM 0 HG12 ILE A 1 3.511 1.701 -0.582 1.00 45.14 H new ATOM 0 HG13 ILE A 1 5.097 1.772 -1.325 1.00 45.14 H new ATOM 0 HG21 ILE A 1 5.541 0.460 -3.439 1.00 50.02 H new ATOM 0 HG22 ILE A 1 4.302 -0.660 -4.052 1.00 50.02 H new ATOM 0 HG23 ILE A 1 4.082 1.097 -4.234 1.00 50.02 H new ATOM 0 HD11 ILE A 1 3.822 3.808 -1.786 1.00 12.10 H new ATOM 0 HD12 ILE A 1 4.139 2.916 -3.292 1.00 12.10 H new ATOM 0 HD13 ILE A 1 2.529 2.844 -2.538 1.00 12.10 H new ATOM 20 N TYR A 2 1.685 -2.206 -2.421 1.00 64.45 N ATOM 21 CA TYR A 2 1.436 -3.518 -3.007 1.00 63.14 C ATOM 22 C TYR A 2 0.071 -3.561 -3.686 1.00 73.03 C ATOM 23 O TYR A 2 -0.273 -4.537 -4.353 1.00 62.12 O ATOM 24 CB TYR A 2 1.518 -4.604 -1.933 1.00 45.31 C ATOM 25 CG TYR A 2 2.934 -4.964 -1.543 1.00 63.04 C ATOM 26 CD1 TYR A 2 3.731 -4.069 -0.839 1.00 34.42 C ATOM 27 CD2 TYR A 2 3.476 -6.198 -1.881 1.00 21.15 C ATOM 28 CE1 TYR A 2 5.025 -4.394 -0.481 1.00 40.22 C ATOM 29 CE2 TYR A 2 4.769 -6.532 -1.526 1.00 11.42 C ATOM 30 CZ TYR A 2 5.539 -5.626 -0.826 1.00 64.25 C ATOM 31 OH TYR A 2 6.828 -5.954 -0.473 1.00 21.05 O ATOM 0 H TYR A 2 1.585 -2.171 -1.406 1.00 64.45 H new ATOM 0 HA TYR A 2 2.202 -3.703 -3.760 1.00 63.14 H new ATOM 0 HB2 TYR A 2 0.980 -4.268 -1.047 1.00 45.31 H new ATOM 0 HB3 TYR A 2 1.011 -5.499 -2.293 1.00 45.31 H new ATOM 0 HD1 TYR A 2 3.332 -3.103 -0.567 1.00 34.42 H new ATOM 0 HD2 TYR A 2 2.876 -6.908 -2.431 1.00 21.15 H new ATOM 0 HE1 TYR A 2 5.631 -3.687 0.066 1.00 40.22 H new ATOM 0 HE2 TYR A 2 5.174 -7.496 -1.795 1.00 11.42 H new ATOM 0 HH TYR A 2 7.034 -6.858 -0.791 1.00 21.05 H new ATOM 41 N TRP A 3 -0.703 -2.496 -3.512 1.00 1.25 N ATOM 42 CA TRP A 3 -2.031 -2.410 -4.107 1.00 75.34 C ATOM 43 C TRP A 3 -2.056 -1.389 -5.239 1.00 2.41 C ATOM 44 O TRP A 3 -2.779 -1.555 -6.222 1.00 2.13 O ATOM 45 CB TRP A 3 -3.066 -2.038 -3.045 1.00 15.53 C ATOM 46 CG TRP A 3 -4.471 -2.007 -3.568 1.00 24.31 C ATOM 47 CD1 TRP A 3 -5.321 -3.068 -3.695 1.00 31.44 C ATOM 48 CD2 TRP A 3 -5.186 -0.859 -4.036 1.00 70.04 C ATOM 49 NE1 TRP A 3 -6.522 -2.649 -4.214 1.00 12.24 N ATOM 50 CE2 TRP A 3 -6.465 -1.298 -4.431 1.00 52.41 C ATOM 51 CE3 TRP A 3 -4.872 0.497 -4.159 1.00 4.01 C ATOM 52 CZ2 TRP A 3 -7.426 -0.428 -4.940 1.00 2.40 C ATOM 53 CZ3 TRP A 3 -5.826 1.359 -4.664 1.00 40.13 C ATOM 54 CH2 TRP A 3 -7.091 0.895 -5.049 1.00 62.31 C ATOM 0 H TRP A 3 -0.433 -1.680 -2.963 1.00 1.25 H new ATOM 0 HA TRP A 3 -2.280 -3.388 -4.520 1.00 75.34 H new ATOM 0 HB2 TRP A 3 -3.007 -2.753 -2.225 1.00 15.53 H new ATOM 0 HB3 TRP A 3 -2.818 -1.060 -2.633 1.00 15.53 H new ATOM 0 HD1 TRP A 3 -5.084 -4.087 -3.427 1.00 31.44 H new ATOM 0 HE1 TRP A 3 -7.326 -3.247 -4.406 1.00 12.24 H new ATOM 0 HE3 TRP A 3 -3.900 0.865 -3.864 1.00 4.01 H new ATOM 0 HZ2 TRP A 3 -8.401 -0.784 -5.238 1.00 2.40 H new ATOM 0 HZ3 TRP A 3 -5.593 2.409 -4.764 1.00 40.13 H new ATOM 0 HH2 TRP A 3 -7.816 1.594 -5.439 1.00 62.31 H new ATOM 65 N ILE A 4 -1.262 -0.333 -5.094 1.00 52.21 N ATOM 66 CA ILE A 4 -1.193 0.714 -6.106 1.00 2.44 C ATOM 67 C ILE A 4 -0.389 0.256 -7.317 1.00 62.25 C ATOM 68 O ILE A 4 -0.688 0.630 -8.451 1.00 62.21 O ATOM 69 CB ILE A 4 -0.561 2.001 -5.542 1.00 33.14 C ATOM 70 CG1 ILE A 4 -1.446 2.589 -4.440 1.00 62.22 C ATOM 71 CG2 ILE A 4 -0.345 3.016 -6.654 1.00 13.54 C ATOM 72 CD1 ILE A 4 -0.819 2.527 -3.065 1.00 35.23 C ATOM 0 H ILE A 4 -0.658 -0.180 -4.286 1.00 52.21 H new ATOM 0 HA ILE A 4 -2.218 0.925 -6.412 1.00 2.44 H new ATOM 0 HB ILE A 4 0.409 1.753 -5.110 1.00 33.14 H new ATOM 0 HG12 ILE A 4 -1.671 3.628 -4.681 1.00 62.22 H new ATOM 0 HG13 ILE A 4 -2.395 2.053 -4.422 1.00 62.22 H new ATOM 0 HG21 ILE A 4 0.102 3.920 -6.240 1.00 13.54 H new ATOM 0 HG22 ILE A 4 0.320 2.594 -7.407 1.00 13.54 H new ATOM 0 HG23 ILE A 4 -1.303 3.262 -7.113 1.00 13.54 H new ATOM 0 HD11 ILE A 4 -1.501 2.961 -2.334 1.00 35.23 H new ATOM 0 HD12 ILE A 4 -0.619 1.488 -2.803 1.00 35.23 H new ATOM 0 HD13 ILE A 4 0.116 3.087 -3.066 1.00 35.23 H new ATOM 84 N ALA A 5 0.632 -0.558 -7.070 1.00 22.12 N ATOM 85 CA ALA A 5 1.477 -1.071 -8.141 1.00 22.42 C ATOM 86 C ALA A 5 0.696 -2.010 -9.054 1.00 41.24 C ATOM 87 O ALA A 5 1.110 -2.281 -10.182 1.00 23.34 O ATOM 88 CB ALA A 5 2.690 -1.784 -7.561 1.00 33.42 C ATOM 0 H ALA A 5 0.894 -0.876 -6.137 1.00 22.12 H new ATOM 0 HA ALA A 5 1.818 -0.225 -8.738 1.00 22.42 H new ATOM 0 HB1 ALA A 5 3.312 -2.162 -8.372 1.00 33.42 H new ATOM 0 HB2 ALA A 5 3.268 -1.085 -6.956 1.00 33.42 H new ATOM 0 HB3 ALA A 5 2.360 -2.616 -6.939 1.00 33.42 H new ATOM 94 N ASP A 6 -0.435 -2.503 -8.561 1.00 45.30 N ATOM 95 CA ASP A 6 -1.274 -3.411 -9.334 1.00 20.14 C ATOM 96 C ASP A 6 -2.334 -2.640 -10.114 1.00 70.10 C ATOM 97 O ASP A 6 -2.357 -2.672 -11.344 1.00 15.00 O ATOM 98 CB ASP A 6 -1.943 -4.431 -8.410 1.00 53.55 C ATOM 99 CG ASP A 6 -2.620 -5.549 -9.178 1.00 31.45 C ATOM 100 OD1 ASP A 6 -1.905 -6.442 -9.678 1.00 21.21 O ATOM 101 OD2 ASP A 6 -3.865 -5.532 -9.278 1.00 41.23 O ATOM 0 H ASP A 6 -0.792 -2.289 -7.630 1.00 45.30 H new ATOM 0 HA ASP A 6 -0.638 -3.938 -10.045 1.00 20.14 H new ATOM 0 HB2 ASP A 6 -1.195 -4.855 -7.740 1.00 53.55 H new ATOM 0 HB3 ASP A 6 -2.680 -3.924 -7.786 1.00 53.55 H new ATOM 106 N GLN A 7 -3.209 -1.950 -9.390 1.00 52.21 N ATOM 107 CA GLN A 7 -4.273 -1.173 -10.015 1.00 43.44 C ATOM 108 C GLN A 7 -3.695 -0.093 -10.924 1.00 52.43 C ATOM 109 O GLN A 7 -3.914 -0.104 -12.136 1.00 15.22 O ATOM 110 CB GLN A 7 -5.163 -0.535 -8.947 1.00 44.42 C ATOM 111 CG GLN A 7 -5.710 -1.530 -7.938 1.00 32.45 C ATOM 112 CD GLN A 7 -6.877 -2.331 -8.481 1.00 53.30 C ATOM 113 OE1 GLN A 7 -6.965 -2.585 -9.683 1.00 3.03 O ATOM 114 NE2 GLN A 7 -7.783 -2.733 -7.597 1.00 4.13 N ATOM 0 H GLN A 7 -3.202 -1.913 -8.371 1.00 52.21 H new ATOM 0 HA GLN A 7 -4.875 -1.850 -10.622 1.00 43.44 H new ATOM 0 HB2 GLN A 7 -4.592 0.229 -8.419 1.00 44.42 H new ATOM 0 HB3 GLN A 7 -5.996 -0.030 -9.435 1.00 44.42 H new ATOM 0 HG2 GLN A 7 -4.914 -2.212 -7.638 1.00 32.45 H new ATOM 0 HG3 GLN A 7 -6.026 -0.996 -7.042 1.00 32.45 H new ATOM 0 HE21 GLN A 7 -7.671 -2.500 -6.610 1.00 4.13 H new ATOM 0 HE22 GLN A 7 -8.591 -3.274 -7.905 1.00 4.13 H new ATOM 123 N PHE A 8 -2.957 0.840 -10.332 1.00 23.22 N ATOM 124 CA PHE A 8 -2.349 1.928 -11.088 1.00 45.30 C ATOM 125 C PHE A 8 -1.096 1.451 -11.817 1.00 73.44 C ATOM 126 O PHE A 8 -1.086 1.329 -13.042 1.00 20.14 O ATOM 127 CB PHE A 8 -1.998 3.091 -10.157 1.00 21.20 C ATOM 128 CG PHE A 8 -3.170 3.602 -9.369 1.00 22.03 C ATOM 129 CD1 PHE A 8 -3.590 2.946 -8.223 1.00 4.44 C ATOM 130 CD2 PHE A 8 -3.852 4.738 -9.774 1.00 61.23 C ATOM 131 CE1 PHE A 8 -4.667 3.414 -7.495 1.00 15.34 C ATOM 132 CE2 PHE A 8 -4.930 5.211 -9.050 1.00 70.42 C ATOM 133 CZ PHE A 8 -5.339 4.547 -7.910 1.00 11.42 C ATOM 0 H PHE A 8 -2.766 0.864 -9.330 1.00 23.22 H new ATOM 0 HA PHE A 8 -3.072 2.269 -11.829 1.00 45.30 H new ATOM 0 HB2 PHE A 8 -1.218 2.771 -9.466 1.00 21.20 H new ATOM 0 HB3 PHE A 8 -1.584 3.908 -10.749 1.00 21.20 H new ATOM 0 HD1 PHE A 8 -3.069 2.058 -7.895 1.00 4.44 H new ATOM 0 HD2 PHE A 8 -3.538 5.260 -10.666 1.00 61.23 H new ATOM 0 HE1 PHE A 8 -4.983 2.894 -6.602 1.00 15.34 H new ATOM 0 HE2 PHE A 8 -5.452 6.099 -9.375 1.00 70.42 H new ATOM 0 HZ PHE A 8 -6.183 4.913 -7.344 1.00 11.42 H new ATOM 143 N GLY A 9 -0.041 1.182 -11.055 1.00 23.41 N ATOM 144 CA GLY A 9 1.203 0.721 -11.645 1.00 14.21 C ATOM 145 C GLY A 9 1.709 1.651 -12.729 1.00 43.42 C ATOM 146 O GLY A 9 1.495 1.406 -13.917 1.00 13.13 O ATOM 0 H GLY A 9 -0.025 1.275 -10.039 1.00 23.41 H new ATOM 0 HA2 GLY A 9 1.960 0.630 -10.866 1.00 14.21 H new ATOM 0 HA3 GLY A 9 1.056 -0.275 -12.064 1.00 14.21 H new ATOM 150 N ILE A 10 2.382 2.722 -12.321 1.00 53.31 N ATOM 151 CA ILE A 10 2.919 3.692 -13.267 1.00 3.30 C ATOM 152 C ILE A 10 4.391 3.419 -13.559 1.00 32.44 C ATOM 153 O ILE A 10 4.743 2.946 -14.640 1.00 22.02 O ATOM 154 CB ILE A 10 2.771 5.133 -12.742 1.00 31.52 C ATOM 155 CG1 ILE A 10 1.298 5.453 -12.479 1.00 2.44 C ATOM 156 CG2 ILE A 10 3.365 6.122 -13.733 1.00 62.33 C ATOM 157 CD1 ILE A 10 0.844 5.104 -11.079 1.00 25.44 C ATOM 0 H ILE A 10 2.568 2.940 -11.342 1.00 53.31 H new ATOM 0 HA ILE A 10 2.343 3.588 -14.186 1.00 3.30 H new ATOM 0 HB ILE A 10 3.316 5.220 -11.802 1.00 31.52 H new ATOM 0 HG12 ILE A 10 1.129 6.516 -12.653 1.00 2.44 H new ATOM 0 HG13 ILE A 10 0.683 4.911 -13.197 1.00 2.44 H new ATOM 0 HG21 ILE A 10 3.253 7.135 -13.348 1.00 62.33 H new ATOM 0 HG22 ILE A 10 4.423 5.903 -13.875 1.00 62.33 H new ATOM 0 HG23 ILE A 10 2.845 6.037 -14.687 1.00 62.33 H new ATOM 0 HD11 ILE A 10 -0.210 5.358 -10.964 1.00 25.44 H new ATOM 0 HD12 ILE A 10 0.981 4.036 -10.908 1.00 25.44 H new ATOM 0 HD13 ILE A 10 1.433 5.666 -10.355 1.00 25.44 H new ATOM 169 N HIS A 11 5.247 3.717 -12.586 1.00 54.02 N ATOM 170 CA HIS A 11 6.681 3.501 -12.737 1.00 62.33 C ATOM 171 C HIS A 11 7.183 2.465 -11.735 1.00 40.34 C ATOM 172 O HIS A 11 8.176 1.779 -11.981 1.00 4.34 O ATOM 173 CB HIS A 11 7.439 4.816 -12.552 1.00 71.31 C ATOM 174 CG HIS A 11 7.381 5.714 -13.749 1.00 13.31 C ATOM 175 ND1 HIS A 11 6.515 5.749 -14.789 1.00 72.13 N flip ATOM 176 CD2 HIS A 11 8.291 6.725 -13.976 1.00 32.13 C flip ATOM 177 CE1 HIS A 11 6.913 6.770 -15.616 1.00 43.42 C flip ATOM 178 NE2 HIS A 11 7.986 7.343 -15.103 1.00 73.02 N flip ATOM 0 H HIS A 11 4.972 4.109 -11.685 1.00 54.02 H new ATOM 0 HA HIS A 11 6.863 3.125 -13.744 1.00 62.33 H new ATOM 0 HB2 HIS A 11 7.029 5.344 -11.691 1.00 71.31 H new ATOM 0 HB3 HIS A 11 8.482 4.596 -12.323 1.00 71.31 H new ATOM 0 HD2 HIS A 11 9.123 6.973 -13.333 1.00 32.13 H new ATOM 0 HE1 HIS A 11 6.427 7.058 -16.537 1.00 43.42 H new ATOM 0 HE2 HIS A 11 8.494 8.130 -15.508 1.00 73.02 H new ATOM 186 N LEU A 12 6.491 2.358 -10.607 1.00 21.24 N ATOM 187 CA LEU A 12 6.867 1.406 -9.567 1.00 12.35 C ATOM 188 C LEU A 12 7.031 0.004 -10.145 1.00 3.43 C ATOM 189 O LEU A 12 8.141 -0.523 -10.213 1.00 70.21 O ATOM 190 CB LEU A 12 5.815 1.392 -8.456 1.00 55.24 C ATOM 191 CG LEU A 12 6.331 1.640 -7.039 1.00 1.32 C ATOM 192 CD1 LEU A 12 7.472 0.689 -6.712 1.00 43.54 C ATOM 193 CD2 LEU A 12 6.777 3.086 -6.879 1.00 41.41 C ATOM 0 H LEU A 12 5.667 2.918 -10.389 1.00 21.24 H new ATOM 0 HA LEU A 12 7.823 1.721 -9.150 1.00 12.35 H new ATOM 0 HB2 LEU A 12 5.064 2.148 -8.685 1.00 55.24 H new ATOM 0 HB3 LEU A 12 5.310 0.426 -8.473 1.00 55.24 H new ATOM 0 HG LEU A 12 5.517 1.452 -6.339 1.00 1.32 H new ATOM 0 HD11 LEU A 12 7.826 0.881 -5.699 1.00 43.54 H new ATOM 0 HD12 LEU A 12 7.120 -0.340 -6.785 1.00 43.54 H new ATOM 0 HD13 LEU A 12 8.288 0.844 -7.417 1.00 43.54 H new ATOM 0 HD21 LEU A 12 7.141 3.244 -5.864 1.00 41.41 H new ATOM 0 HD22 LEU A 12 7.576 3.301 -7.589 1.00 41.41 H new ATOM 0 HD23 LEU A 12 5.934 3.750 -7.069 1.00 41.41 H new ATOM 205 N ALA A 13 5.919 -0.592 -10.562 1.00 24.44 N ATOM 206 CA ALA A 13 5.941 -1.931 -11.138 1.00 50.00 C ATOM 207 C ALA A 13 6.284 -1.884 -12.623 1.00 42.20 C ATOM 208 O ALA A 13 5.527 -2.372 -13.462 1.00 71.24 O ATOM 209 CB ALA A 13 4.600 -2.619 -10.926 1.00 4.42 C ATOM 0 H ALA A 13 4.992 -0.169 -10.512 1.00 24.44 H new ATOM 0 HA ALA A 13 6.716 -2.505 -10.631 1.00 50.00 H new ATOM 0 HB1 ALA A 13 4.631 -3.618 -11.361 1.00 4.42 H new ATOM 0 HB2 ALA A 13 4.395 -2.694 -9.858 1.00 4.42 H new ATOM 0 HB3 ALA A 13 3.813 -2.038 -11.407 1.00 4.42 H new ATOM 215 N THR A 14 7.431 -1.292 -12.942 1.00 41.22 N ATOM 216 CA THR A 14 7.874 -1.179 -14.326 1.00 53.02 C ATOM 217 C THR A 14 8.785 -2.340 -14.708 1.00 53.14 C ATOM 218 O THR A 14 9.736 -2.171 -15.470 1.00 52.42 O ATOM 219 CB THR A 14 8.620 0.146 -14.571 1.00 54.32 C ATOM 220 OG1 THR A 14 8.905 0.297 -15.966 1.00 40.13 O ATOM 221 CG2 THR A 14 9.915 0.193 -13.775 1.00 42.24 C ATOM 0 H THR A 14 8.070 -0.883 -12.260 1.00 41.22 H new ATOM 0 HA THR A 14 6.979 -1.203 -14.947 1.00 53.02 H new ATOM 0 HB THR A 14 7.980 0.964 -14.241 1.00 54.32 H new ATOM 0 HG1 THR A 14 9.367 -0.503 -16.294 1.00 40.13 H new ATOM 0 HG21 THR A 14 10.424 1.138 -13.964 1.00 42.24 H new ATOM 0 HG22 THR A 14 9.692 0.108 -12.712 1.00 42.24 H new ATOM 0 HG23 THR A 14 10.559 -0.633 -14.078 1.00 42.24 H new ATOM 229 N GLY A 15 8.487 -3.521 -14.174 1.00 51.35 N ATOM 230 CA GLY A 15 9.289 -4.693 -14.472 1.00 51.13 C ATOM 231 C GLY A 15 10.413 -4.895 -13.476 1.00 3.40 C ATOM 232 O GLY A 15 10.676 -6.017 -13.043 1.00 64.21 O ATOM 0 H GLY A 15 7.705 -3.687 -13.541 1.00 51.35 H new ATOM 0 HA2 GLY A 15 8.649 -5.575 -14.477 1.00 51.13 H new ATOM 0 HA3 GLY A 15 9.708 -4.597 -15.474 1.00 51.13 H new ATOM 236 N THR A 16 11.081 -3.805 -13.111 1.00 3.40 N ATOM 237 CA THR A 16 12.186 -3.867 -12.162 1.00 15.11 C ATOM 238 C THR A 16 11.691 -4.230 -10.766 1.00 62.24 C ATOM 239 O THR A 16 12.005 -5.300 -10.245 1.00 44.14 O ATOM 240 CB THR A 16 12.943 -2.528 -12.093 1.00 44.41 C ATOM 241 OG1 THR A 16 13.103 -1.987 -13.409 1.00 41.04 O ATOM 242 CG2 THR A 16 14.308 -2.711 -11.446 1.00 13.44 C ATOM 0 H THR A 16 10.876 -2.868 -13.458 1.00 3.40 H new ATOM 0 HA THR A 16 12.865 -4.642 -12.518 1.00 15.11 H new ATOM 0 HB THR A 16 12.359 -1.837 -11.485 1.00 44.41 H new ATOM 0 HG1 THR A 16 13.584 -1.135 -13.356 1.00 41.04 H new ATOM 0 HG21 THR A 16 14.824 -1.752 -11.408 1.00 13.44 H new ATOM 0 HG22 THR A 16 14.182 -3.096 -10.434 1.00 13.44 H new ATOM 0 HG23 THR A 16 14.897 -3.417 -12.032 1.00 13.44 H new ATOM 250 N ALA A 17 10.916 -3.333 -10.166 1.00 74.43 N ATOM 251 CA ALA A 17 10.376 -3.561 -8.832 1.00 35.43 C ATOM 252 C ALA A 17 9.676 -4.914 -8.746 1.00 44.12 C ATOM 253 O ALA A 17 9.651 -5.544 -7.689 1.00 34.20 O ATOM 254 CB ALA A 17 9.415 -2.444 -8.453 1.00 2.21 C ATOM 0 H ALA A 17 10.648 -2.441 -10.583 1.00 74.43 H new ATOM 0 HA ALA A 17 11.208 -3.565 -8.127 1.00 35.43 H new ATOM 0 HB1 ALA A 17 9.019 -2.628 -7.454 1.00 2.21 H new ATOM 0 HB2 ALA A 17 9.943 -1.490 -8.465 1.00 2.21 H new ATOM 0 HB3 ALA A 17 8.593 -2.413 -9.168 1.00 2.21 H new ATOM 260 N ARG A 18 9.110 -5.354 -9.865 1.00 51.21 N ATOM 261 CA ARG A 18 8.409 -6.631 -9.915 1.00 54.14 C ATOM 262 C ARG A 18 9.311 -7.766 -9.439 1.00 15.45 C ATOM 263 O ARG A 18 8.880 -8.644 -8.691 1.00 14.43 O ATOM 264 CB ARG A 18 7.923 -6.915 -11.338 1.00 50.40 C ATOM 265 CG ARG A 18 6.522 -6.397 -11.618 1.00 13.41 C ATOM 266 CD ARG A 18 5.471 -7.201 -10.869 1.00 14.42 C ATOM 267 NE ARG A 18 5.376 -8.572 -11.362 1.00 23.11 N ATOM 268 CZ ARG A 18 4.872 -8.893 -12.548 1.00 62.51 C ATOM 269 NH1 ARG A 18 4.420 -7.947 -13.358 1.00 52.35 N ATOM 270 NH2 ARG A 18 4.821 -10.164 -12.926 1.00 75.41 N ATOM 0 H ARG A 18 9.123 -4.845 -10.749 1.00 51.21 H new ATOM 0 HA ARG A 18 7.548 -6.570 -9.249 1.00 54.14 H new ATOM 0 HB2 ARG A 18 8.617 -6.463 -12.047 1.00 50.40 H new ATOM 0 HB3 ARG A 18 7.945 -7.991 -11.512 1.00 50.40 H new ATOM 0 HG2 ARG A 18 6.456 -5.349 -11.327 1.00 13.41 H new ATOM 0 HG3 ARG A 18 6.323 -6.444 -12.689 1.00 13.41 H new ATOM 0 HD2 ARG A 18 5.714 -7.214 -9.806 1.00 14.42 H new ATOM 0 HD3 ARG A 18 4.502 -6.712 -10.968 1.00 14.42 H new ATOM 0 HE ARG A 18 5.715 -9.324 -10.763 1.00 23.11 H new ATOM 0 HH11 ARG A 18 4.459 -6.969 -13.071 1.00 52.35 H new ATOM 0 HH12 ARG A 18 4.034 -8.197 -14.268 1.00 52.35 H new ATOM 0 HH21 ARG A 18 5.169 -10.895 -12.306 1.00 75.41 H new ATOM 0 HH22 ARG A 18 4.434 -10.410 -13.837 1.00 75.41 H new ATOM 284 N LYS A 19 10.565 -7.742 -9.877 1.00 14.52 N ATOM 285 CA LYS A 19 11.529 -8.767 -9.495 1.00 52.42 C ATOM 286 C LYS A 19 11.998 -8.564 -8.058 1.00 62.11 C ATOM 287 O LYS A 19 12.431 -9.509 -7.397 1.00 0.23 O ATOM 288 CB LYS A 19 12.730 -8.744 -10.443 1.00 71.33 C ATOM 289 CG LYS A 19 12.360 -8.965 -11.900 1.00 35.54 C ATOM 290 CD LYS A 19 13.237 -8.143 -12.829 1.00 75.41 C ATOM 291 CE LYS A 19 14.682 -8.614 -12.793 1.00 23.53 C ATOM 292 NZ LYS A 19 14.814 -10.035 -13.219 1.00 35.44 N ATOM 0 H LYS A 19 10.938 -7.023 -10.497 1.00 14.52 H new ATOM 0 HA LYS A 19 11.037 -9.737 -9.564 1.00 52.42 H new ATOM 0 HB2 LYS A 19 13.239 -7.785 -10.348 1.00 71.33 H new ATOM 0 HB3 LYS A 19 13.439 -9.513 -10.136 1.00 71.33 H new ATOM 0 HG2 LYS A 19 12.460 -10.022 -12.145 1.00 35.54 H new ATOM 0 HG3 LYS A 19 11.314 -8.699 -12.055 1.00 35.54 H new ATOM 0 HD2 LYS A 19 12.856 -8.213 -13.848 1.00 75.41 H new ATOM 0 HD3 LYS A 19 13.188 -7.093 -12.542 1.00 75.41 H new ATOM 0 HE2 LYS A 19 15.286 -7.982 -13.444 1.00 23.53 H new ATOM 0 HE3 LYS A 19 15.076 -8.500 -11.783 1.00 23.53 H new ATOM 0 HZ1 LYS A 19 15.809 -10.240 -13.442 1.00 35.44 H new ATOM 0 HZ2 LYS A 19 14.496 -10.659 -12.450 1.00 35.44 H new ATOM 0 HZ3 LYS A 19 14.229 -10.200 -14.063 1.00 35.44 H new ATOM 306 N LEU A 20 11.909 -7.328 -7.580 1.00 53.01 N ATOM 307 CA LEU A 20 12.323 -7.002 -6.220 1.00 10.21 C ATOM 308 C LEU A 20 11.288 -7.479 -5.206 1.00 71.02 C ATOM 309 O LEU A 20 11.632 -8.074 -4.184 1.00 44.11 O ATOM 310 CB LEU A 20 12.535 -5.494 -6.078 1.00 52.50 C ATOM 311 CG LEU A 20 13.846 -4.944 -6.640 1.00 63.14 C ATOM 312 CD1 LEU A 20 13.858 -3.425 -6.579 1.00 42.45 C ATOM 313 CD2 LEU A 20 15.034 -5.519 -5.883 1.00 30.43 C ATOM 0 H LEU A 20 11.554 -6.535 -8.114 1.00 53.01 H new ATOM 0 HA LEU A 20 13.263 -7.516 -6.020 1.00 10.21 H new ATOM 0 HB2 LEU A 20 11.709 -4.983 -6.572 1.00 52.50 H new ATOM 0 HB3 LEU A 20 12.481 -5.238 -5.020 1.00 52.50 H new ATOM 0 HG LEU A 20 13.925 -5.246 -7.684 1.00 63.14 H new ATOM 0 HD11 LEU A 20 14.799 -3.052 -6.983 1.00 42.45 H new ATOM 0 HD12 LEU A 20 13.029 -3.031 -7.167 1.00 42.45 H new ATOM 0 HD13 LEU A 20 13.755 -3.102 -5.543 1.00 42.45 H new ATOM 0 HD21 LEU A 20 15.959 -5.116 -6.297 1.00 30.43 H new ATOM 0 HD22 LEU A 20 14.960 -5.248 -4.830 1.00 30.43 H new ATOM 0 HD23 LEU A 20 15.036 -6.605 -5.979 1.00 30.43 H new ATOM 325 N LEU A 21 10.018 -7.216 -5.497 1.00 25.54 N ATOM 326 CA LEU A 21 8.932 -7.621 -4.612 1.00 33.15 C ATOM 327 C LEU A 21 8.925 -9.134 -4.413 1.00 44.51 C ATOM 328 O LEU A 21 8.345 -9.641 -3.453 1.00 63.33 O ATOM 329 CB LEU A 21 7.587 -7.164 -5.181 1.00 23.44 C ATOM 330 CG LEU A 21 7.383 -5.653 -5.289 1.00 41.14 C ATOM 331 CD1 LEU A 21 6.208 -5.337 -6.202 1.00 21.31 C ATOM 332 CD2 LEU A 21 7.170 -5.043 -3.912 1.00 12.03 C ATOM 0 H LEU A 21 9.716 -6.725 -6.338 1.00 25.54 H new ATOM 0 HA LEU A 21 9.091 -7.147 -3.643 1.00 33.15 H new ATOM 0 HB2 LEU A 21 7.469 -7.598 -6.174 1.00 23.44 H new ATOM 0 HB3 LEU A 21 6.793 -7.574 -4.557 1.00 23.44 H new ATOM 0 HG LEU A 21 8.282 -5.215 -5.723 1.00 41.14 H new ATOM 0 HD11 LEU A 21 6.078 -4.257 -6.267 1.00 21.31 H new ATOM 0 HD12 LEU A 21 6.401 -5.740 -7.196 1.00 21.31 H new ATOM 0 HD13 LEU A 21 5.302 -5.788 -5.798 1.00 21.31 H new ATOM 0 HD21 LEU A 21 7.027 -3.967 -4.009 1.00 12.03 H new ATOM 0 HD22 LEU A 21 6.288 -5.486 -3.450 1.00 12.03 H new ATOM 0 HD23 LEU A 21 8.043 -5.238 -3.289 1.00 12.03 H new ATOM 344 N ASP A 22 9.576 -9.847 -5.325 1.00 71.24 N ATOM 345 CA ASP A 22 9.648 -11.302 -5.249 1.00 44.32 C ATOM 346 C ASP A 22 10.856 -11.743 -4.429 1.00 23.42 C ATOM 347 O ASP A 22 11.186 -12.928 -4.380 1.00 3.10 O ATOM 348 CB ASP A 22 9.722 -11.904 -6.653 1.00 72.20 C ATOM 349 CG ASP A 22 9.358 -13.376 -6.671 1.00 41.12 C ATOM 350 OD1 ASP A 22 8.235 -13.714 -6.242 1.00 64.43 O ATOM 351 OD2 ASP A 22 10.197 -14.189 -7.113 1.00 74.34 O ATOM 0 H ASP A 22 10.061 -9.442 -6.125 1.00 71.24 H new ATOM 0 HA ASP A 22 8.745 -11.661 -4.755 1.00 44.32 H new ATOM 0 HB2 ASP A 22 9.050 -11.358 -7.315 1.00 72.20 H new ATOM 0 HB3 ASP A 22 10.730 -11.777 -7.047 1.00 72.20 H new ATOM 356 N ALA A 23 11.512 -10.782 -3.787 1.00 25.43 N ATOM 357 CA ALA A 23 12.683 -11.072 -2.968 1.00 20.31 C ATOM 358 C ALA A 23 12.624 -10.323 -1.641 1.00 60.10 C ATOM 359 O ALA A 23 12.869 -10.898 -0.580 1.00 74.24 O ATOM 360 CB ALA A 23 13.956 -10.716 -3.722 1.00 13.55 C ATOM 0 H ALA A 23 11.253 -9.796 -3.818 1.00 25.43 H new ATOM 0 HA ALA A 23 12.689 -12.140 -2.752 1.00 20.31 H new ATOM 0 HB1 ALA A 23 14.822 -10.938 -3.099 1.00 13.55 H new ATOM 0 HB2 ALA A 23 14.011 -11.301 -4.640 1.00 13.55 H new ATOM 0 HB3 ALA A 23 13.948 -9.654 -3.968 1.00 13.55 H new ATOM 366 N VAL A 24 12.299 -9.036 -1.707 1.00 54.14 N ATOM 367 CA VAL A 24 12.207 -8.208 -0.511 1.00 3.21 C ATOM 368 C VAL A 24 11.160 -8.751 0.455 1.00 63.21 C ATOM 369 O VAL A 24 11.312 -8.651 1.672 1.00 43.10 O ATOM 370 CB VAL A 24 11.857 -6.750 -0.863 1.00 4.32 C ATOM 371 CG1 VAL A 24 12.924 -6.147 -1.764 1.00 61.13 C ATOM 372 CG2 VAL A 24 10.488 -6.675 -1.520 1.00 54.32 C ATOM 0 H VAL A 24 12.095 -8.544 -2.577 1.00 54.14 H new ATOM 0 HA VAL A 24 13.186 -8.234 -0.033 1.00 3.21 H new ATOM 0 HB VAL A 24 11.824 -6.170 0.059 1.00 4.32 H new ATOM 0 HG11 VAL A 24 12.659 -5.117 -2.002 1.00 61.13 H new ATOM 0 HG12 VAL A 24 13.886 -6.166 -1.252 1.00 61.13 H new ATOM 0 HG13 VAL A 24 12.992 -6.726 -2.685 1.00 61.13 H new ATOM 0 HG21 VAL A 24 10.257 -5.638 -1.762 1.00 54.32 H new ATOM 0 HG22 VAL A 24 10.490 -7.269 -2.434 1.00 54.32 H new ATOM 0 HG23 VAL A 24 9.734 -7.065 -0.836 1.00 54.32 H new ATOM 382 N ALA A 25 10.097 -9.328 -0.096 1.00 43.24 N ATOM 383 CA ALA A 25 9.026 -9.890 0.716 1.00 13.21 C ATOM 384 C ALA A 25 9.558 -10.960 1.663 1.00 61.33 C ATOM 385 O ALA A 25 8.934 -11.271 2.678 1.00 45.15 O ATOM 386 CB ALA A 25 7.935 -10.465 -0.174 1.00 75.54 C ATOM 0 H ALA A 25 9.955 -9.418 -1.102 1.00 43.24 H new ATOM 0 HA ALA A 25 8.602 -9.087 1.319 1.00 13.21 H new ATOM 0 HB1 ALA A 25 7.141 -10.881 0.446 1.00 75.54 H new ATOM 0 HB2 ALA A 25 7.526 -9.676 -0.805 1.00 75.54 H new ATOM 0 HB3 ALA A 25 8.354 -11.251 -0.802 1.00 75.54 H new ATOM 392 N SER A 26 10.714 -11.522 1.324 1.00 42.44 N ATOM 393 CA SER A 26 11.328 -12.561 2.141 1.00 23.04 C ATOM 394 C SER A 26 12.397 -11.972 3.057 1.00 42.43 C ATOM 395 O SER A 26 12.765 -12.571 4.066 1.00 3.32 O ATOM 396 CB SER A 26 11.943 -13.643 1.252 1.00 70.15 C ATOM 397 OG SER A 26 10.940 -14.351 0.543 1.00 24.01 O ATOM 0 H SER A 26 11.244 -11.275 0.488 1.00 42.44 H new ATOM 0 HA SER A 26 10.550 -13.008 2.760 1.00 23.04 H new ATOM 0 HB2 SER A 26 12.638 -13.187 0.547 1.00 70.15 H new ATOM 0 HB3 SER A 26 12.519 -14.337 1.864 1.00 70.15 H new ATOM 0 HG SER A 26 11.359 -15.036 -0.019 1.00 24.01 H new ATOM 403 N GLY A 27 12.892 -10.792 2.695 1.00 10.51 N ATOM 404 CA GLY A 27 13.914 -10.140 3.493 1.00 12.42 C ATOM 405 C GLY A 27 13.669 -8.652 3.646 1.00 51.55 C ATOM 406 O GLY A 27 13.358 -8.175 4.737 1.00 64.40 O ATOM 0 H GLY A 27 12.604 -10.276 1.864 1.00 10.51 H new ATOM 0 HA2 GLY A 27 13.950 -10.602 4.479 1.00 12.42 H new ATOM 0 HA3 GLY A 27 14.888 -10.299 3.030 1.00 12.42 H new ATOM 410 N ALA A 28 13.810 -7.915 2.549 1.00 43.25 N ATOM 411 CA ALA A 28 13.602 -6.472 2.565 1.00 72.20 C ATOM 412 C ALA A 28 14.524 -5.796 3.574 1.00 52.12 C ATOM 413 O ALA A 28 14.067 -5.246 4.576 1.00 55.03 O ATOM 414 CB ALA A 28 12.148 -6.153 2.879 1.00 52.41 C ATOM 0 H ALA A 28 14.068 -8.294 1.638 1.00 43.25 H new ATOM 0 HA ALA A 28 13.843 -6.083 1.575 1.00 72.20 H new ATOM 0 HB1 ALA A 28 12.006 -5.072 2.888 1.00 52.41 H new ATOM 0 HB2 ALA A 28 11.506 -6.597 2.118 1.00 52.41 H new ATOM 0 HB3 ALA A 28 11.889 -6.561 3.856 1.00 52.41 H new ATOM 420 N SER A 29 15.824 -5.841 3.303 1.00 4.10 N ATOM 421 CA SER A 29 16.811 -5.236 4.190 1.00 63.10 C ATOM 422 C SER A 29 18.080 -4.873 3.424 1.00 54.41 C ATOM 423 O SER A 29 19.161 -4.770 4.004 1.00 45.11 O ATOM 424 CB SER A 29 17.150 -6.190 5.337 1.00 62.43 C ATOM 425 OG SER A 29 18.066 -5.596 6.241 1.00 72.53 O ATOM 0 H SER A 29 16.219 -6.290 2.477 1.00 4.10 H new ATOM 0 HA SER A 29 16.382 -4.322 4.601 1.00 63.10 H new ATOM 0 HB2 SER A 29 16.238 -6.465 5.867 1.00 62.43 H new ATOM 0 HB3 SER A 29 17.575 -7.110 4.935 1.00 62.43 H new ATOM 0 HG SER A 29 18.735 -5.084 5.740 1.00 72.53 H new ATOM 431 N LEU A 30 17.939 -4.679 2.117 1.00 31.13 N ATOM 432 CA LEU A 30 19.073 -4.327 1.269 1.00 14.25 C ATOM 433 C LEU A 30 19.814 -3.116 1.827 1.00 54.42 C ATOM 434 O LEU A 30 20.892 -3.247 2.404 1.00 10.43 O ATOM 435 CB LEU A 30 18.598 -4.037 -0.156 1.00 23.43 C ATOM 436 CG LEU A 30 19.029 -5.043 -1.224 1.00 25.12 C ATOM 437 CD1 LEU A 30 20.537 -5.239 -1.195 1.00 3.01 C ATOM 438 CD2 LEU A 30 18.313 -6.371 -1.026 1.00 24.22 C ATOM 0 H LEU A 30 17.051 -4.759 1.622 1.00 31.13 H new ATOM 0 HA LEU A 30 19.759 -5.173 1.251 1.00 14.25 H new ATOM 0 HB2 LEU A 30 17.509 -3.986 -0.152 1.00 23.43 H new ATOM 0 HB3 LEU A 30 18.962 -3.051 -0.446 1.00 23.43 H new ATOM 0 HG LEU A 30 18.753 -4.647 -2.201 1.00 25.12 H new ATOM 0 HD11 LEU A 30 20.825 -5.958 -1.962 1.00 3.01 H new ATOM 0 HD12 LEU A 30 21.031 -4.287 -1.386 1.00 3.01 H new ATOM 0 HD13 LEU A 30 20.837 -5.613 -0.216 1.00 3.01 H new ATOM 0 HD21 LEU A 30 18.632 -7.075 -1.795 1.00 24.22 H new ATOM 0 HD22 LEU A 30 18.557 -6.773 -0.043 1.00 24.22 H new ATOM 0 HD23 LEU A 30 17.236 -6.218 -1.098 1.00 24.22 H new ATOM 450 N GLY A 31 19.226 -1.936 1.651 1.00 12.00 N ATOM 451 CA GLY A 31 19.843 -0.719 2.144 1.00 44.32 C ATOM 452 C GLY A 31 20.580 0.039 1.057 1.00 61.31 C ATOM 453 O GLY A 31 21.059 1.151 1.280 1.00 51.35 O ATOM 0 H GLY A 31 18.333 -1.802 1.176 1.00 12.00 H new ATOM 0 HA2 GLY A 31 19.076 -0.076 2.575 1.00 44.32 H new ATOM 0 HA3 GLY A 31 20.539 -0.967 2.945 1.00 44.32 H new ATOM 457 N THR A 32 20.674 -0.565 -0.124 1.00 33.12 N ATOM 458 CA THR A 32 21.360 0.058 -1.249 1.00 31.24 C ATOM 459 C THR A 32 20.486 0.052 -2.498 1.00 31.45 C ATOM 460 O THR A 32 20.426 1.039 -3.229 1.00 51.14 O ATOM 461 CB THR A 32 22.688 -0.656 -1.562 1.00 22.42 C ATOM 462 OG1 THR A 32 23.611 -0.470 -0.483 1.00 11.02 O ATOM 463 CG2 THR A 32 23.296 -0.128 -2.852 1.00 53.24 C ATOM 0 H THR A 32 20.283 -1.485 -0.326 1.00 33.12 H new ATOM 0 HA THR A 32 21.569 1.088 -0.960 1.00 31.24 H new ATOM 0 HB THR A 32 22.482 -1.719 -1.685 1.00 22.42 H new ATOM 0 HG1 THR A 32 24.452 -0.929 -0.689 1.00 11.02 H new ATOM 0 HG21 THR A 32 24.233 -0.648 -3.052 1.00 53.24 H new ATOM 0 HG22 THR A 32 22.604 -0.298 -3.677 1.00 53.24 H new ATOM 0 HG23 THR A 32 23.487 0.941 -2.753 1.00 53.24 H new ATOM 471 N ALA A 33 19.809 -1.067 -2.735 1.00 21.20 N ATOM 472 CA ALA A 33 18.936 -1.200 -3.894 1.00 71.35 C ATOM 473 C ALA A 33 17.511 -0.773 -3.560 1.00 74.32 C ATOM 474 O ALA A 33 16.748 -0.376 -4.441 1.00 41.15 O ATOM 475 CB ALA A 33 18.953 -2.633 -4.407 1.00 3.04 C ATOM 0 H ALA A 33 19.849 -1.894 -2.140 1.00 21.20 H new ATOM 0 HA ALA A 33 19.311 -0.541 -4.677 1.00 71.35 H new ATOM 0 HB1 ALA A 33 18.296 -2.717 -5.273 1.00 3.04 H new ATOM 0 HB2 ALA A 33 19.969 -2.905 -4.694 1.00 3.04 H new ATOM 0 HB3 ALA A 33 18.606 -3.305 -3.622 1.00 3.04 H new ATOM 481 N PHE A 34 17.157 -0.859 -2.282 1.00 53.52 N ATOM 482 CA PHE A 34 15.822 -0.482 -1.832 1.00 33.41 C ATOM 483 C PHE A 34 15.638 1.032 -1.880 1.00 72.45 C ATOM 484 O PHE A 34 14.577 1.527 -2.261 1.00 23.14 O ATOM 485 CB PHE A 34 15.578 -0.992 -0.410 1.00 14.31 C ATOM 486 CG PHE A 34 14.134 -1.284 -0.117 1.00 54.43 C ATOM 487 CD1 PHE A 34 13.432 -2.205 -0.878 1.00 15.13 C ATOM 488 CD2 PHE A 34 13.478 -0.637 0.918 1.00 24.24 C ATOM 489 CE1 PHE A 34 12.103 -2.475 -0.611 1.00 15.41 C ATOM 490 CE2 PHE A 34 12.150 -0.903 1.190 1.00 35.21 C ATOM 491 CZ PHE A 34 11.461 -1.824 0.425 1.00 41.01 C ATOM 0 H PHE A 34 17.776 -1.186 -1.540 1.00 53.52 H new ATOM 0 HA PHE A 34 15.096 -0.939 -2.505 1.00 33.41 H new ATOM 0 HB2 PHE A 34 16.163 -1.898 -0.252 1.00 14.31 H new ATOM 0 HB3 PHE A 34 15.942 -0.250 0.301 1.00 14.31 H new ATOM 0 HD1 PHE A 34 13.929 -2.717 -1.689 1.00 15.13 H new ATOM 0 HD2 PHE A 34 14.012 0.084 1.519 1.00 24.24 H new ATOM 0 HE1 PHE A 34 11.567 -3.194 -1.212 1.00 15.41 H new ATOM 0 HE2 PHE A 34 11.651 -0.391 2.000 1.00 35.21 H new ATOM 0 HZ PHE A 34 10.423 -2.035 0.636 1.00 41.01 H new ATOM 501 N ALA A 35 16.679 1.761 -1.492 1.00 33.21 N ATOM 502 CA ALA A 35 16.634 3.218 -1.492 1.00 75.32 C ATOM 503 C ALA A 35 16.702 3.769 -2.912 1.00 64.13 C ATOM 504 O ALA A 35 16.306 4.906 -3.167 1.00 34.41 O ATOM 505 CB ALA A 35 17.768 3.781 -0.650 1.00 4.13 C ATOM 0 H ALA A 35 17.564 1.366 -1.174 1.00 33.21 H new ATOM 0 HA ALA A 35 15.684 3.528 -1.055 1.00 75.32 H new ATOM 0 HB1 ALA A 35 17.722 4.870 -0.659 1.00 4.13 H new ATOM 0 HB2 ALA A 35 17.673 3.422 0.375 1.00 4.13 H new ATOM 0 HB3 ALA A 35 18.723 3.455 -1.061 1.00 4.13 H new ATOM 511 N ALA A 36 17.209 2.956 -3.834 1.00 1.14 N ATOM 512 CA ALA A 36 17.329 3.362 -5.228 1.00 54.44 C ATOM 513 C ALA A 36 16.004 3.194 -5.965 1.00 12.04 C ATOM 514 O ALA A 36 15.786 3.798 -7.015 1.00 50.03 O ATOM 515 CB ALA A 36 18.424 2.563 -5.919 1.00 13.10 C ATOM 0 H ALA A 36 17.543 2.012 -3.640 1.00 1.14 H new ATOM 0 HA ALA A 36 17.596 4.418 -5.251 1.00 54.44 H new ATOM 0 HB1 ALA A 36 18.502 2.877 -6.960 1.00 13.10 H new ATOM 0 HB2 ALA A 36 19.375 2.737 -5.415 1.00 13.10 H new ATOM 0 HB3 ALA A 36 18.181 1.501 -5.878 1.00 13.10 H new ATOM 521 N ILE A 37 15.123 2.370 -5.407 1.00 62.23 N ATOM 522 CA ILE A 37 13.820 2.123 -6.012 1.00 11.14 C ATOM 523 C ILE A 37 12.727 2.916 -5.304 1.00 13.42 C ATOM 524 O ILE A 37 11.660 3.165 -5.868 1.00 44.01 O ATOM 525 CB ILE A 37 13.457 0.627 -5.976 1.00 63.33 C ATOM 526 CG1 ILE A 37 13.461 0.112 -4.535 1.00 43.43 C ATOM 527 CG2 ILE A 37 14.427 -0.174 -6.833 1.00 0.42 C ATOM 528 CD1 ILE A 37 12.632 -1.137 -4.337 1.00 70.13 C ATOM 0 H ILE A 37 15.288 1.863 -4.538 1.00 62.23 H new ATOM 0 HA ILE A 37 13.888 2.447 -7.050 1.00 11.14 H new ATOM 0 HB ILE A 37 12.454 0.502 -6.383 1.00 63.33 H new ATOM 0 HG12 ILE A 37 14.488 -0.092 -4.234 1.00 43.43 H new ATOM 0 HG13 ILE A 37 13.086 0.896 -3.877 1.00 43.43 H new ATOM 0 HG21 ILE A 37 14.158 -1.230 -6.798 1.00 0.42 H new ATOM 0 HG22 ILE A 37 14.379 0.178 -7.863 1.00 0.42 H new ATOM 0 HG23 ILE A 37 15.440 -0.045 -6.453 1.00 0.42 H new ATOM 0 HD11 ILE A 37 12.681 -1.445 -3.292 1.00 70.13 H new ATOM 0 HD12 ILE A 37 11.596 -0.933 -4.607 1.00 70.13 H new ATOM 0 HD13 ILE A 37 13.021 -1.936 -4.969 1.00 70.13 H new ATOM 540 N LEU A 38 12.999 3.313 -4.066 1.00 32.05 N ATOM 541 CA LEU A 38 12.039 4.081 -3.280 1.00 20.12 C ATOM 542 C LEU A 38 12.409 5.560 -3.262 1.00 44.43 C ATOM 543 O LEU A 38 11.885 6.333 -2.461 1.00 24.43 O ATOM 544 CB LEU A 38 11.974 3.543 -1.849 1.00 64.34 C ATOM 545 CG LEU A 38 10.851 2.547 -1.557 1.00 10.52 C ATOM 546 CD1 LEU A 38 11.221 1.161 -2.062 1.00 11.44 C ATOM 547 CD2 LEU A 38 10.546 2.510 -0.066 1.00 50.54 C ATOM 0 H LEU A 38 13.876 3.116 -3.584 1.00 32.05 H new ATOM 0 HA LEU A 38 11.059 3.976 -3.746 1.00 20.12 H new ATOM 0 HB2 LEU A 38 12.926 3.065 -1.618 1.00 64.34 H new ATOM 0 HB3 LEU A 38 11.869 4.388 -1.169 1.00 64.34 H new ATOM 0 HG LEU A 38 9.955 2.875 -2.083 1.00 10.52 H new ATOM 0 HD11 LEU A 38 10.410 0.466 -1.845 1.00 11.44 H new ATOM 0 HD12 LEU A 38 11.389 1.199 -3.138 1.00 11.44 H new ATOM 0 HD13 LEU A 38 12.130 0.823 -1.565 1.00 11.44 H new ATOM 0 HD21 LEU A 38 9.744 1.796 0.124 1.00 50.54 H new ATOM 0 HD22 LEU A 38 11.439 2.207 0.481 1.00 50.54 H new ATOM 0 HD23 LEU A 38 10.236 3.501 0.267 1.00 50.54 H new ATOM 559 N GLY A 39 13.316 5.949 -4.154 1.00 55.25 N ATOM 560 CA GLY A 39 13.739 7.335 -4.226 1.00 50.40 C ATOM 561 C GLY A 39 13.194 8.046 -5.449 1.00 72.31 C ATOM 562 O GLY A 39 13.238 9.273 -5.534 1.00 52.14 O ATOM 0 H GLY A 39 13.765 5.329 -4.828 1.00 55.25 H new ATOM 0 HA2 GLY A 39 13.410 7.859 -3.329 1.00 50.40 H new ATOM 0 HA3 GLY A 39 14.828 7.379 -4.240 1.00 50.40 H new ATOM 566 N VAL A 40 12.679 7.273 -6.400 1.00 64.24 N ATOM 567 CA VAL A 40 12.124 7.835 -7.625 1.00 51.34 C ATOM 568 C VAL A 40 10.778 8.502 -7.363 1.00 61.21 C ATOM 569 O VAL A 40 10.410 9.469 -8.031 1.00 4.11 O ATOM 570 CB VAL A 40 11.947 6.755 -8.709 1.00 51.21 C ATOM 571 CG1 VAL A 40 11.121 5.594 -8.176 1.00 43.12 C ATOM 572 CG2 VAL A 40 11.305 7.350 -9.953 1.00 72.24 C ATOM 0 H VAL A 40 12.635 6.255 -6.345 1.00 64.24 H new ATOM 0 HA VAL A 40 12.834 8.582 -7.980 1.00 51.34 H new ATOM 0 HB VAL A 40 12.931 6.374 -8.982 1.00 51.21 H new ATOM 0 HG11 VAL A 40 11.006 4.841 -8.956 1.00 43.12 H new ATOM 0 HG12 VAL A 40 11.626 5.153 -7.317 1.00 43.12 H new ATOM 0 HG13 VAL A 40 10.138 5.955 -7.873 1.00 43.12 H new ATOM 0 HG21 VAL A 40 11.187 6.573 -10.709 1.00 72.24 H new ATOM 0 HG22 VAL A 40 10.327 7.759 -9.698 1.00 72.24 H new ATOM 0 HG23 VAL A 40 11.940 8.145 -10.345 1.00 72.24 H new ATOM 582 N THR A 41 10.045 7.979 -6.385 1.00 23.40 N ATOM 583 CA THR A 41 8.739 8.522 -6.034 1.00 23.01 C ATOM 584 C THR A 41 8.533 8.525 -4.524 1.00 31.24 C ATOM 585 O THR A 41 8.008 9.486 -3.960 1.00 55.02 O ATOM 586 CB THR A 41 7.602 7.721 -6.695 1.00 35.14 C ATOM 587 OG1 THR A 41 6.336 8.152 -6.180 1.00 64.42 O ATOM 588 CG2 THR A 41 7.774 6.230 -6.447 1.00 5.15 C ATOM 0 H THR A 41 10.334 7.179 -5.822 1.00 23.40 H new ATOM 0 HA THR A 41 8.713 9.547 -6.403 1.00 23.01 H new ATOM 0 HB THR A 41 7.638 7.901 -7.769 1.00 35.14 H new ATOM 0 HG1 THR A 41 5.618 7.639 -6.606 1.00 64.42 H new ATOM 0 HG21 THR A 41 6.959 5.685 -6.924 1.00 5.15 H new ATOM 0 HG22 THR A 41 8.725 5.899 -6.865 1.00 5.15 H new ATOM 0 HG23 THR A 41 7.762 6.036 -5.375 1.00 5.15 H new ATOM 596 N LEU A 42 8.950 7.445 -3.872 1.00 72.33 N ATOM 597 CA LEU A 42 8.811 7.323 -2.425 1.00 62.11 C ATOM 598 C LEU A 42 9.795 8.240 -1.705 1.00 32.31 C ATOM 599 O LEU A 42 10.796 8.683 -2.269 1.00 34.42 O ATOM 600 CB LEU A 42 9.036 5.873 -1.992 1.00 5.33 C ATOM 601 CG LEU A 42 7.804 4.969 -2.007 1.00 73.24 C ATOM 602 CD1 LEU A 42 7.730 4.189 -3.311 1.00 41.42 C ATOM 603 CD2 LEU A 42 7.823 4.021 -0.817 1.00 71.53 C ATOM 0 H LEU A 42 9.387 6.641 -4.323 1.00 72.33 H new ATOM 0 HA LEU A 42 7.799 7.623 -2.155 1.00 62.11 H new ATOM 0 HB2 LEU A 42 9.792 5.434 -2.643 1.00 5.33 H new ATOM 0 HB3 LEU A 42 9.447 5.876 -0.983 1.00 5.33 H new ATOM 0 HG LEU A 42 6.916 5.597 -1.932 1.00 73.24 H new ATOM 0 HD11 LEU A 42 6.846 3.551 -3.304 1.00 41.42 H new ATOM 0 HD12 LEU A 42 7.668 4.885 -4.148 1.00 41.42 H new ATOM 0 HD13 LEU A 42 8.622 3.572 -3.417 1.00 41.42 H new ATOM 0 HD21 LEU A 42 6.938 3.385 -0.844 1.00 71.53 H new ATOM 0 HD22 LEU A 42 8.718 3.400 -0.861 1.00 71.53 H new ATOM 0 HD23 LEU A 42 7.827 4.598 0.108 1.00 71.53 H new ATOM 615 N PRO A 43 9.506 8.530 -0.428 1.00 5.54 N ATOM 616 CA PRO A 43 10.355 9.395 0.398 1.00 32.34 C ATOM 617 C PRO A 43 11.687 8.738 0.746 1.00 54.51 C ATOM 618 O PRO A 43 12.026 7.682 0.215 1.00 72.43 O ATOM 619 CB PRO A 43 9.518 9.609 1.662 1.00 5.33 C ATOM 620 CG PRO A 43 8.626 8.418 1.733 1.00 43.30 C ATOM 621 CD PRO A 43 8.330 8.038 0.309 1.00 64.43 C ATOM 0 HA PRO A 43 10.620 10.319 -0.117 1.00 32.34 H new ATOM 0 HB2 PRO A 43 10.150 9.683 2.547 1.00 5.33 H new ATOM 0 HB3 PRO A 43 8.942 10.532 1.603 1.00 5.33 H new ATOM 0 HG2 PRO A 43 9.111 7.598 2.263 1.00 43.30 H new ATOM 0 HG3 PRO A 43 7.708 8.649 2.274 1.00 43.30 H new ATOM 0 HD2 PRO A 43 8.208 6.961 0.198 1.00 64.43 H new ATOM 0 HD3 PRO A 43 7.410 8.501 -0.047 1.00 64.43 H new ATOM 629 N ALA A 44 12.437 9.372 1.641 1.00 23.23 N ATOM 630 CA ALA A 44 13.731 8.848 2.061 1.00 31.44 C ATOM 631 C ALA A 44 13.652 8.248 3.461 1.00 31.12 C ATOM 632 O ALA A 44 14.433 7.364 3.813 1.00 60.13 O ATOM 633 CB ALA A 44 14.785 9.944 2.013 1.00 22.54 C ATOM 0 H ALA A 44 12.171 10.249 2.089 1.00 23.23 H new ATOM 0 HA ALA A 44 14.016 8.055 1.370 1.00 31.44 H new ATOM 0 HB1 ALA A 44 15.746 9.539 2.329 1.00 22.54 H new ATOM 0 HB2 ALA A 44 14.869 10.324 0.995 1.00 22.54 H new ATOM 0 HB3 ALA A 44 14.496 10.756 2.681 1.00 22.54 H new ATOM 639 N TRP A 45 12.705 8.735 4.255 1.00 23.44 N ATOM 640 CA TRP A 45 12.525 8.246 5.618 1.00 44.40 C ATOM 641 C TRP A 45 11.947 6.836 5.619 1.00 72.21 C ATOM 642 O TRP A 45 12.223 6.042 6.518 1.00 1.40 O ATOM 643 CB TRP A 45 11.609 9.187 6.402 1.00 2.30 C ATOM 644 CG TRP A 45 10.202 9.212 5.886 1.00 1.35 C ATOM 645 CD1 TRP A 45 9.659 10.126 5.029 1.00 5.41 C ATOM 646 CD2 TRP A 45 9.159 8.282 6.197 1.00 11.35 C ATOM 647 NE1 TRP A 45 8.342 9.821 4.788 1.00 34.34 N ATOM 648 CE2 TRP A 45 8.011 8.693 5.493 1.00 54.44 C ATOM 649 CE3 TRP A 45 9.083 7.141 7.001 1.00 44.42 C ATOM 650 CZ2 TRP A 45 6.804 8.004 5.570 1.00 74.43 C ATOM 651 CZ3 TRP A 45 7.885 6.458 7.076 1.00 13.14 C ATOM 652 CH2 TRP A 45 6.758 6.890 6.364 1.00 42.12 C ATOM 0 H TRP A 45 12.051 9.467 3.979 1.00 23.44 H new ATOM 0 HA TRP A 45 13.503 8.217 6.099 1.00 44.40 H new ATOM 0 HB2 TRP A 45 11.599 8.884 7.449 1.00 2.30 H new ATOM 0 HB3 TRP A 45 12.020 10.196 6.366 1.00 2.30 H new ATOM 0 HD1 TRP A 45 10.188 10.966 4.603 1.00 5.41 H new ATOM 0 HE1 TRP A 45 7.712 10.348 4.183 1.00 34.34 H new ATOM 0 HE3 TRP A 45 9.946 6.800 7.554 1.00 44.42 H new ATOM 0 HZ2 TRP A 45 5.934 8.337 5.023 1.00 74.43 H new ATOM 0 HZ3 TRP A 45 7.816 5.575 7.694 1.00 13.14 H new ATOM 0 HH2 TRP A 45 5.836 6.334 6.443 1.00 42.12 H new ATOM 663 N ALA A 46 11.143 6.530 4.606 1.00 70.23 N ATOM 664 CA ALA A 46 10.528 5.214 4.489 1.00 34.33 C ATOM 665 C ALA A 46 11.574 4.108 4.579 1.00 43.45 C ATOM 666 O ALA A 46 11.280 2.994 5.014 1.00 4.44 O ATOM 667 CB ALA A 46 9.754 5.106 3.184 1.00 51.45 C ATOM 0 H ALA A 46 10.902 7.176 3.854 1.00 70.23 H new ATOM 0 HA ALA A 46 9.835 5.090 5.321 1.00 34.33 H new ATOM 0 HB1 ALA A 46 9.300 4.118 3.111 1.00 51.45 H new ATOM 0 HB2 ALA A 46 8.973 5.866 3.160 1.00 51.45 H new ATOM 0 HB3 ALA A 46 10.433 5.257 2.345 1.00 51.45 H new ATOM 673 N LEU A 47 12.796 4.422 4.163 1.00 43.43 N ATOM 674 CA LEU A 47 13.888 3.455 4.195 1.00 33.01 C ATOM 675 C LEU A 47 14.217 3.053 5.629 1.00 34.13 C ATOM 676 O LEU A 47 14.599 1.913 5.893 1.00 45.54 O ATOM 677 CB LEU A 47 15.131 4.036 3.518 1.00 35.24 C ATOM 678 CG LEU A 47 14.900 4.734 2.177 1.00 24.54 C ATOM 679 CD1 LEU A 47 16.194 5.349 1.667 1.00 61.43 C ATOM 680 CD2 LEU A 47 14.334 3.756 1.158 1.00 14.10 C ATOM 0 H LEU A 47 13.056 5.339 3.799 1.00 43.43 H new ATOM 0 HA LEU A 47 13.569 2.566 3.652 1.00 33.01 H new ATOM 0 HB2 LEU A 47 15.593 4.749 4.201 1.00 35.24 H new ATOM 0 HB3 LEU A 47 15.848 3.229 3.366 1.00 35.24 H new ATOM 0 HG LEU A 47 14.175 5.534 2.325 1.00 24.54 H new ATOM 0 HD11 LEU A 47 16.011 5.841 0.712 1.00 61.43 H new ATOM 0 HD12 LEU A 47 16.558 6.080 2.388 1.00 61.43 H new ATOM 0 HD13 LEU A 47 16.941 4.567 1.535 1.00 61.43 H new ATOM 0 HD21 LEU A 47 14.176 4.270 0.210 1.00 14.10 H new ATOM 0 HD22 LEU A 47 15.036 2.935 1.013 1.00 14.10 H new ATOM 0 HD23 LEU A 47 13.384 3.362 1.520 1.00 14.10 H new ATOM 692 N ALA A 48 14.062 3.996 6.553 1.00 45.01 N ATOM 693 CA ALA A 48 14.339 3.739 7.961 1.00 71.13 C ATOM 694 C ALA A 48 13.160 3.045 8.634 1.00 74.11 C ATOM 695 O ALA A 48 13.329 2.334 9.624 1.00 74.32 O ATOM 696 CB ALA A 48 14.669 5.039 8.680 1.00 64.54 C ATOM 0 H ALA A 48 13.746 4.945 6.352 1.00 45.01 H new ATOM 0 HA ALA A 48 15.201 3.075 8.021 1.00 71.13 H new ATOM 0 HB1 ALA A 48 14.874 4.832 9.730 1.00 64.54 H new ATOM 0 HB2 ALA A 48 15.547 5.495 8.222 1.00 64.54 H new ATOM 0 HB3 ALA A 48 13.823 5.722 8.603 1.00 64.54 H new ATOM 702 N ALA A 49 11.965 3.257 8.091 1.00 44.14 N ATOM 703 CA ALA A 49 10.758 2.651 8.638 1.00 24.33 C ATOM 704 C ALA A 49 10.604 1.210 8.164 1.00 62.32 C ATOM 705 O ALA A 49 10.117 0.353 8.900 1.00 35.31 O ATOM 706 CB ALA A 49 9.535 3.469 8.253 1.00 40.11 C ATOM 0 H ALA A 49 11.808 3.844 7.272 1.00 44.14 H new ATOM 0 HA ALA A 49 10.847 2.641 9.724 1.00 24.33 H new ATOM 0 HB1 ALA A 49 8.641 3.004 8.669 1.00 40.11 H new ATOM 0 HB2 ALA A 49 9.635 4.480 8.647 1.00 40.11 H new ATOM 0 HB3 ALA A 49 9.451 3.509 7.167 1.00 40.11 H new ATOM 712 N ALA A 50 11.022 0.950 6.929 1.00 3.13 N ATOM 713 CA ALA A 50 10.932 -0.388 6.358 1.00 54.45 C ATOM 714 C ALA A 50 11.565 -1.423 7.280 1.00 20.23 C ATOM 715 O ALA A 50 11.161 -2.585 7.296 1.00 73.01 O ATOM 716 CB ALA A 50 11.594 -0.422 4.988 1.00 23.33 C ATOM 0 H ALA A 50 11.426 1.649 6.305 1.00 3.13 H new ATOM 0 HA ALA A 50 9.877 -0.638 6.246 1.00 54.45 H new ATOM 0 HB1 ALA A 50 11.520 -1.427 4.573 1.00 23.33 H new ATOM 0 HB2 ALA A 50 11.093 0.283 4.324 1.00 23.33 H new ATOM 0 HB3 ALA A 50 12.644 -0.146 5.084 1.00 23.33 H new ATOM 722 N GLY A 51 12.562 -0.994 8.049 1.00 52.14 N ATOM 723 CA GLY A 51 13.236 -1.897 8.963 1.00 34.10 C ATOM 724 C GLY A 51 12.310 -2.429 10.039 1.00 22.42 C ATOM 725 O GLY A 51 12.355 -3.612 10.376 1.00 20.13 O ATOM 0 H GLY A 51 12.915 -0.037 8.055 1.00 52.14 H new ATOM 0 HA2 GLY A 51 13.654 -2.733 8.402 1.00 34.10 H new ATOM 0 HA3 GLY A 51 14.072 -1.378 9.431 1.00 34.10 H new ATOM 729 N ALA A 52 11.470 -1.554 10.581 1.00 0.10 N ATOM 730 CA ALA A 52 10.530 -1.943 11.625 1.00 0.40 C ATOM 731 C ALA A 52 9.127 -2.132 11.058 1.00 63.21 C ATOM 732 O ALA A 52 8.623 -3.254 10.982 1.00 4.32 O ATOM 733 CB ALA A 52 10.516 -0.903 12.736 1.00 21.32 C ATOM 0 H ALA A 52 11.421 -0.571 10.314 1.00 0.10 H new ATOM 0 HA ALA A 52 10.858 -2.897 12.038 1.00 0.40 H new ATOM 0 HB1 ALA A 52 9.810 -1.206 13.509 1.00 21.32 H new ATOM 0 HB2 ALA A 52 11.513 -0.819 13.168 1.00 21.32 H new ATOM 0 HB3 ALA A 52 10.215 0.062 12.328 1.00 21.32 H new ATOM 739 N LEU A 53 8.501 -1.030 10.661 1.00 33.11 N ATOM 740 CA LEU A 53 7.154 -1.075 10.101 1.00 45.02 C ATOM 741 C LEU A 53 6.860 0.182 9.289 1.00 45.32 C ATOM 742 O LEU A 53 7.281 1.280 9.651 1.00 0.21 O ATOM 743 CB LEU A 53 6.121 -1.228 11.218 1.00 12.40 C ATOM 744 CG LEU A 53 4.656 -1.254 10.779 1.00 44.45 C ATOM 745 CD1 LEU A 53 4.367 -2.501 9.959 1.00 63.44 C ATOM 746 CD2 LEU A 53 3.735 -1.183 11.988 1.00 44.42 C ATOM 0 H LEU A 53 8.904 -0.095 10.716 1.00 33.11 H new ATOM 0 HA LEU A 53 7.092 -1.937 9.437 1.00 45.02 H new ATOM 0 HB2 LEU A 53 6.334 -2.150 11.759 1.00 12.40 H new ATOM 0 HB3 LEU A 53 6.254 -0.407 11.923 1.00 12.40 H new ATOM 0 HG LEU A 53 4.469 -0.381 10.154 1.00 44.45 H new ATOM 0 HD11 LEU A 53 3.320 -2.502 9.655 1.00 63.44 H new ATOM 0 HD12 LEU A 53 5.002 -2.509 9.073 1.00 63.44 H new ATOM 0 HD13 LEU A 53 4.572 -3.387 10.560 1.00 63.44 H new ATOM 0 HD21 LEU A 53 2.697 -1.203 11.656 1.00 44.42 H new ATOM 0 HD22 LEU A 53 3.924 -2.036 12.640 1.00 44.42 H new ATOM 0 HD23 LEU A 53 3.924 -0.259 12.535 1.00 44.42 H new ATOM 758 N GLY A 54 6.133 0.014 8.189 1.00 61.45 N ATOM 759 CA GLY A 54 5.793 1.143 7.343 1.00 2.35 C ATOM 760 C GLY A 54 4.620 0.851 6.429 1.00 42.11 C ATOM 761 O GLY A 54 3.503 0.628 6.894 1.00 52.24 O ATOM 0 H GLY A 54 5.773 -0.885 7.868 1.00 61.45 H new ATOM 0 HA2 GLY A 54 5.556 2.004 7.969 1.00 2.35 H new ATOM 0 HA3 GLY A 54 6.660 1.416 6.741 1.00 2.35 H new ATOM 765 N ALA A 55 4.874 0.854 5.124 1.00 21.44 N ATOM 766 CA ALA A 55 3.830 0.587 4.143 1.00 64.54 C ATOM 767 C ALA A 55 3.148 -0.749 4.417 1.00 74.22 C ATOM 768 O ALA A 55 3.746 -1.812 4.244 1.00 11.30 O ATOM 769 CB ALA A 55 4.411 0.606 2.736 1.00 22.34 C ATOM 0 H ALA A 55 5.793 1.038 4.722 1.00 21.44 H new ATOM 0 HA ALA A 55 3.079 1.372 4.225 1.00 64.54 H new ATOM 0 HB1 ALA A 55 3.620 0.405 2.013 1.00 22.34 H new ATOM 0 HB2 ALA A 55 4.846 1.585 2.535 1.00 22.34 H new ATOM 0 HB3 ALA A 55 5.183 -0.159 2.651 1.00 22.34 H new ATOM 775 N THR A 56 1.891 -0.689 4.846 1.00 32.11 N ATOM 776 CA THR A 56 1.127 -1.894 5.146 1.00 2.31 C ATOM 777 C THR A 56 0.570 -2.522 3.874 1.00 32.42 C ATOM 778 O THR A 56 -0.639 -2.714 3.743 1.00 2.34 O ATOM 779 CB THR A 56 -0.036 -1.596 6.110 1.00 13.44 C ATOM 780 OG1 THR A 56 -1.029 -0.803 5.450 1.00 52.11 O ATOM 781 CG2 THR A 56 0.461 -0.866 7.349 1.00 11.12 C ATOM 0 H THR A 56 1.380 0.182 4.994 1.00 32.11 H new ATOM 0 HA THR A 56 1.814 -2.594 5.623 1.00 2.31 H new ATOM 0 HB THR A 56 -0.475 -2.545 6.418 1.00 13.44 H new ATOM 0 HG1 THR A 56 -1.433 -1.323 4.724 1.00 52.11 H new ATOM 0 HG21 THR A 56 -0.379 -0.666 8.015 1.00 11.12 H new ATOM 0 HG22 THR A 56 1.195 -1.484 7.866 1.00 11.12 H new ATOM 0 HG23 THR A 56 0.923 0.076 7.055 1.00 11.12 H new ATOM 789 N ALA A 57 1.458 -2.842 2.939 1.00 24.33 N ATOM 790 CA ALA A 57 1.055 -3.452 1.678 1.00 32.35 C ATOM 791 C ALA A 57 0.237 -2.480 0.835 1.00 32.03 C ATOM 792 O ALA A 57 -0.538 -2.892 -0.028 1.00 0.15 O ATOM 793 CB ALA A 57 0.262 -4.725 1.938 1.00 42.02 C ATOM 0 H ALA A 57 2.462 -2.689 3.031 1.00 24.33 H new ATOM 0 HA ALA A 57 1.957 -3.706 1.120 1.00 32.35 H new ATOM 0 HB1 ALA A 57 -0.033 -5.170 0.988 1.00 42.02 H new ATOM 0 HB2 ALA A 57 0.879 -5.431 2.494 1.00 42.02 H new ATOM 0 HB3 ALA A 57 -0.629 -4.486 2.519 1.00 42.02 H new ATOM 799 N ALA A 58 0.414 -1.188 1.091 1.00 22.13 N ATOM 800 CA ALA A 58 -0.307 -0.157 0.355 1.00 63.44 C ATOM 801 C ALA A 58 0.218 -0.033 -1.072 1.00 24.14 C ATOM 802 O ALA A 58 -0.536 -0.171 -2.035 1.00 53.43 O ATOM 803 CB ALA A 58 -0.202 1.178 1.076 1.00 4.10 C ATOM 0 H ALA A 58 1.051 -0.830 1.803 1.00 22.13 H new ATOM 0 HA ALA A 58 -1.356 -0.448 0.305 1.00 63.44 H new ATOM 0 HB1 ALA A 58 -0.745 1.938 0.515 1.00 4.10 H new ATOM 0 HB2 ALA A 58 -0.631 1.087 2.074 1.00 4.10 H new ATOM 0 HB3 ALA A 58 0.846 1.466 1.157 1.00 4.10 H new