USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, 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 Set 1.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -174:sc= -0.497 (180deg=-0.531) USER MOD Single : A 1 ILE N :NH3+ -130:sc= -0.22 (180deg=-1.35) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.254 K(o=-0.25,f=-3.6!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.4) USER MOD Single : A 14 THR OG1 : rot -25:sc= 0.37 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 120:sc= -0.108 USER MOD Single : A 56 THR OG1 : rot -65:sc= 0.75 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 2.901 -1.277 0.089 1.00 33.43 N ATOM 2 CA ILE A 1 3.406 -1.295 -1.278 1.00 32.52 C ATOM 3 C ILE A 1 2.517 -2.144 -2.181 1.00 51.41 C ATOM 4 O ILE A 1 2.377 -1.863 -3.372 1.00 33.32 O ATOM 5 CB ILE A 1 4.846 -1.837 -1.339 1.00 22.33 C ATOM 6 CG1 ILE A 1 5.779 -0.963 -0.498 1.00 21.31 C ATOM 7 CG2 ILE A 1 5.328 -1.901 -2.781 1.00 14.05 C ATOM 8 CD1 ILE A 1 5.939 0.442 -1.036 1.00 35.54 C ATOM 0 H1 ILE A 1 2.844 -0.294 0.425 1.00 33.43 H new ATOM 0 H3 ILE A 1 3.543 -1.817 0.704 1.00 33.43 H new ATOM 0 HA ILE A 1 3.399 -0.264 -1.631 1.00 32.52 H new ATOM 0 HB ILE A 1 4.856 -2.847 -0.928 1.00 22.33 H new ATOM 0 HG12 ILE A 1 5.395 -0.912 0.521 1.00 21.31 H new ATOM 0 HG13 ILE A 1 6.759 -1.437 -0.446 1.00 21.31 H new ATOM 0 HG21 ILE A 1 6.347 -2.286 -2.807 1.00 14.05 H new ATOM 0 HG22 ILE A 1 4.676 -2.561 -3.354 1.00 14.05 H new ATOM 0 HG23 ILE A 1 5.306 -0.902 -3.217 1.00 14.05 H new ATOM 0 HD11 ILE A 1 6.613 1.004 -0.390 1.00 35.54 H new ATOM 0 HD12 ILE A 1 6.352 0.401 -2.044 1.00 35.54 H new ATOM 0 HD13 ILE A 1 4.967 0.935 -1.062 1.00 35.54 H new ATOM 20 N TYR A 2 1.917 -3.180 -1.607 1.00 23.33 N ATOM 21 CA TYR A 2 1.042 -4.070 -2.360 1.00 33.42 C ATOM 22 C TYR A 2 -0.333 -3.440 -2.561 1.00 71.20 C ATOM 23 O TYR A 2 -1.195 -4.007 -3.232 1.00 54.34 O ATOM 24 CB TYR A 2 0.900 -5.411 -1.638 1.00 33.32 C ATOM 25 CG TYR A 2 2.197 -6.180 -1.527 1.00 1.20 C ATOM 26 CD1 TYR A 2 3.133 -5.864 -0.550 1.00 1.41 C ATOM 27 CD2 TYR A 2 2.488 -7.221 -2.400 1.00 34.13 C ATOM 28 CE1 TYR A 2 4.320 -6.562 -0.445 1.00 62.41 C ATOM 29 CE2 TYR A 2 3.671 -7.926 -2.301 1.00 63.24 C ATOM 30 CZ TYR A 2 4.584 -7.593 -1.323 1.00 25.12 C ATOM 31 OH TYR A 2 5.766 -8.292 -1.223 1.00 35.25 O ATOM 0 H TYR A 2 2.021 -3.424 -0.622 1.00 23.33 H new ATOM 0 HA TYR A 2 1.492 -4.238 -3.339 1.00 33.42 H new ATOM 0 HB2 TYR A 2 0.505 -5.235 -0.637 1.00 33.32 H new ATOM 0 HB3 TYR A 2 0.169 -6.023 -2.166 1.00 33.32 H new ATOM 0 HD1 TYR A 2 2.929 -5.058 0.140 1.00 1.41 H new ATOM 0 HD2 TYR A 2 1.777 -7.483 -3.169 1.00 34.13 H new ATOM 0 HE1 TYR A 2 5.037 -6.302 0.320 1.00 62.41 H new ATOM 0 HE2 TYR A 2 3.880 -8.734 -2.986 1.00 63.24 H new ATOM 0 HH TYR A 2 5.795 -8.986 -1.915 1.00 35.25 H new ATOM 41 N TRP A 3 -0.529 -2.265 -1.975 1.00 1.31 N ATOM 42 CA TRP A 3 -1.798 -1.556 -2.090 1.00 14.25 C ATOM 43 C TRP A 3 -1.659 -0.331 -2.986 1.00 44.50 C ATOM 44 O TRP A 3 -2.602 0.055 -3.677 1.00 13.12 O ATOM 45 CB TRP A 3 -2.299 -1.137 -0.706 1.00 44.52 C ATOM 46 CG TRP A 3 -3.631 -0.450 -0.739 1.00 63.31 C ATOM 47 CD1 TRP A 3 -4.860 -1.045 -0.711 1.00 42.01 C ATOM 48 CD2 TRP A 3 -3.867 0.960 -0.808 1.00 44.11 C ATOM 49 NE1 TRP A 3 -5.846 -0.089 -0.759 1.00 23.04 N ATOM 50 CE2 TRP A 3 -5.263 1.149 -0.818 1.00 5.04 C ATOM 51 CE3 TRP A 3 -3.035 2.082 -0.861 1.00 21.24 C ATOM 52 CZ2 TRP A 3 -5.842 2.414 -0.879 1.00 22.42 C ATOM 53 CZ3 TRP A 3 -3.611 3.336 -0.922 1.00 14.24 C ATOM 54 CH2 TRP A 3 -5.004 3.494 -0.930 1.00 3.25 C ATOM 0 H TRP A 3 0.174 -1.783 -1.415 1.00 1.31 H new ATOM 0 HA TRP A 3 -2.523 -2.232 -2.542 1.00 14.25 H new ATOM 0 HB2 TRP A 3 -2.369 -2.020 -0.070 1.00 44.52 H new ATOM 0 HB3 TRP A 3 -1.567 -0.472 -0.248 1.00 44.52 H new ATOM 0 HD1 TRP A 3 -5.032 -2.110 -0.659 1.00 42.01 H new ATOM 0 HE1 TRP A 3 -6.849 -0.272 -0.752 1.00 23.04 H new ATOM 0 HE3 TRP A 3 -1.961 1.970 -0.854 1.00 21.24 H new ATOM 0 HZ2 TRP A 3 -6.915 2.538 -0.886 1.00 22.42 H new ATOM 0 HZ3 TRP A 3 -2.977 4.210 -0.964 1.00 14.24 H new ATOM 0 HH2 TRP A 3 -5.424 4.488 -0.977 1.00 3.25 H new ATOM 65 N ILE A 4 -0.477 0.277 -2.971 1.00 21.14 N ATOM 66 CA ILE A 4 -0.215 1.458 -3.784 1.00 21.21 C ATOM 67 C ILE A 4 -0.037 1.086 -5.252 1.00 24.31 C ATOM 68 O ILE A 4 -0.394 1.853 -6.145 1.00 75.11 O ATOM 69 CB ILE A 4 1.040 2.208 -3.300 1.00 23.51 C ATOM 70 CG1 ILE A 4 0.799 2.808 -1.914 1.00 2.35 C ATOM 71 CG2 ILE A 4 1.425 3.293 -4.294 1.00 21.00 C ATOM 72 CD1 ILE A 4 1.732 2.271 -0.851 1.00 63.53 C ATOM 0 H ILE A 4 0.314 -0.029 -2.405 1.00 21.14 H new ATOM 0 HA ILE A 4 -1.081 2.111 -3.680 1.00 21.21 H new ATOM 0 HB ILE A 4 1.865 1.499 -3.229 1.00 23.51 H new ATOM 0 HG12 ILE A 4 0.912 3.891 -1.971 1.00 2.35 H new ATOM 0 HG13 ILE A 4 -0.231 2.610 -1.616 1.00 2.35 H new ATOM 0 HG21 ILE A 4 2.314 3.814 -3.938 1.00 21.00 H new ATOM 0 HG22 ILE A 4 1.634 2.841 -5.264 1.00 21.00 H new ATOM 0 HG23 ILE A 4 0.604 4.003 -4.394 1.00 21.00 H new ATOM 0 HD11 ILE A 4 1.503 2.741 0.105 1.00 63.53 H new ATOM 0 HD12 ILE A 4 1.603 1.192 -0.765 1.00 63.53 H new ATOM 0 HD13 ILE A 4 2.763 2.492 -1.126 1.00 63.53 H new ATOM 84 N ALA A 5 0.518 -0.098 -5.494 1.00 15.24 N ATOM 85 CA ALA A 5 0.740 -0.574 -6.853 1.00 52.12 C ATOM 86 C ALA A 5 -0.581 -0.883 -7.550 1.00 13.15 C ATOM 87 O ALA A 5 -0.646 -0.951 -8.777 1.00 62.20 O ATOM 88 CB ALA A 5 1.633 -1.805 -6.842 1.00 22.52 C ATOM 0 H ALA A 5 0.822 -0.744 -4.766 1.00 15.24 H new ATOM 0 HA ALA A 5 1.239 0.218 -7.411 1.00 52.12 H new ATOM 0 HB1 ALA A 5 1.790 -2.150 -7.864 1.00 22.52 H new ATOM 0 HB2 ALA A 5 2.593 -1.554 -6.392 1.00 22.52 H new ATOM 0 HB3 ALA A 5 1.156 -2.595 -6.262 1.00 22.52 H new ATOM 94 N ASP A 6 -1.632 -1.069 -6.758 1.00 70.44 N ATOM 95 CA ASP A 6 -2.952 -1.371 -7.299 1.00 53.03 C ATOM 96 C ASP A 6 -3.711 -0.089 -7.628 1.00 1.24 C ATOM 97 O ASP A 6 -4.004 0.189 -8.790 1.00 71.00 O ATOM 98 CB ASP A 6 -3.754 -2.212 -6.305 1.00 72.41 C ATOM 99 CG ASP A 6 -5.241 -2.200 -6.603 1.00 4.02 C ATOM 100 OD1 ASP A 6 -5.621 -2.551 -7.739 1.00 74.24 O ATOM 101 OD2 ASP A 6 -6.023 -1.840 -5.699 1.00 53.21 O ATOM 0 H ASP A 6 -1.595 -1.016 -5.740 1.00 70.44 H new ATOM 0 HA ASP A 6 -2.819 -1.939 -8.219 1.00 53.03 H new ATOM 0 HB2 ASP A 6 -3.390 -3.239 -6.327 1.00 72.41 H new ATOM 0 HB3 ASP A 6 -3.586 -1.835 -5.296 1.00 72.41 H new ATOM 106 N GLN A 7 -4.026 0.687 -6.595 1.00 41.15 N ATOM 107 CA GLN A 7 -4.752 1.939 -6.775 1.00 31.30 C ATOM 108 C GLN A 7 -3.984 2.887 -7.690 1.00 12.23 C ATOM 109 O GLN A 7 -4.447 3.226 -8.779 1.00 62.33 O ATOM 110 CB GLN A 7 -5.002 2.607 -5.422 1.00 24.33 C ATOM 111 CG GLN A 7 -5.749 1.723 -4.436 1.00 4.24 C ATOM 112 CD GLN A 7 -7.238 1.669 -4.713 1.00 10.24 C ATOM 113 OE1 GLN A 7 -7.674 1.811 -5.855 1.00 72.55 O ATOM 114 NE2 GLN A 7 -8.028 1.464 -3.665 1.00 72.44 N ATOM 0 H GLN A 7 -3.790 0.471 -5.626 1.00 41.15 H new ATOM 0 HA GLN A 7 -5.710 1.710 -7.242 1.00 31.30 H new ATOM 0 HB2 GLN A 7 -4.045 2.895 -4.986 1.00 24.33 H new ATOM 0 HB3 GLN A 7 -5.570 3.524 -5.578 1.00 24.33 H new ATOM 0 HG2 GLN A 7 -5.339 0.714 -4.476 1.00 4.24 H new ATOM 0 HG3 GLN A 7 -5.585 2.094 -3.424 1.00 4.24 H new ATOM 0 HE21 GLN A 7 -7.623 1.352 -2.736 1.00 72.44 H new ATOM 0 HE22 GLN A 7 -9.039 1.419 -3.790 1.00 72.44 H new ATOM 123 N PHE A 8 -2.809 3.313 -7.239 1.00 42.43 N ATOM 124 CA PHE A 8 -1.977 4.224 -8.017 1.00 1.42 C ATOM 125 C PHE A 8 -1.285 3.488 -9.160 1.00 23.43 C ATOM 126 O PHE A 8 -1.539 3.759 -10.332 1.00 51.23 O ATOM 127 CB PHE A 8 -0.933 4.889 -7.117 1.00 41.11 C ATOM 128 CG PHE A 8 -1.525 5.584 -5.924 1.00 62.12 C ATOM 129 CD1 PHE A 8 -1.830 4.875 -4.774 1.00 34.22 C ATOM 130 CD2 PHE A 8 -1.776 6.946 -5.954 1.00 0.24 C ATOM 131 CE1 PHE A 8 -2.375 5.511 -3.674 1.00 43.22 C ATOM 132 CE2 PHE A 8 -2.320 7.588 -4.857 1.00 2.00 C ATOM 133 CZ PHE A 8 -2.621 6.870 -3.716 1.00 63.54 C ATOM 0 H PHE A 8 -2.411 3.042 -6.339 1.00 42.43 H new ATOM 0 HA PHE A 8 -2.623 4.992 -8.442 1.00 1.42 H new ATOM 0 HB2 PHE A 8 -0.227 4.133 -6.774 1.00 41.11 H new ATOM 0 HB3 PHE A 8 -0.366 5.612 -7.704 1.00 41.11 H new ATOM 0 HD1 PHE A 8 -1.640 3.813 -4.736 1.00 34.22 H new ATOM 0 HD2 PHE A 8 -1.544 7.512 -6.844 1.00 0.24 H new ATOM 0 HE1 PHE A 8 -2.608 4.946 -2.783 1.00 43.22 H new ATOM 0 HE2 PHE A 8 -2.510 8.651 -4.892 1.00 2.00 H new ATOM 0 HZ PHE A 8 -3.048 7.370 -2.859 1.00 63.54 H new ATOM 143 N GLY A 9 -0.407 2.553 -8.808 1.00 3.03 N ATOM 144 CA GLY A 9 0.310 1.792 -9.814 1.00 73.42 C ATOM 145 C GLY A 9 1.059 2.679 -10.788 1.00 4.01 C ATOM 146 O GLY A 9 0.538 3.028 -11.847 1.00 51.53 O ATOM 0 H GLY A 9 -0.180 2.309 -7.844 1.00 3.03 H new ATOM 0 HA2 GLY A 9 1.015 1.121 -9.323 1.00 73.42 H new ATOM 0 HA3 GLY A 9 -0.395 1.168 -10.364 1.00 73.42 H new ATOM 150 N ILE A 10 2.285 3.046 -10.429 1.00 30.33 N ATOM 151 CA ILE A 10 3.107 3.898 -11.279 1.00 13.44 C ATOM 152 C ILE A 10 3.784 3.089 -12.379 1.00 21.52 C ATOM 153 O ILE A 10 4.716 2.326 -12.119 1.00 74.14 O ATOM 154 CB ILE A 10 4.184 4.636 -10.462 1.00 42.11 C ATOM 155 CG1 ILE A 10 3.533 5.496 -9.377 1.00 41.53 C ATOM 156 CG2 ILE A 10 5.048 5.491 -11.377 1.00 4.55 C ATOM 157 CD1 ILE A 10 3.394 4.789 -8.047 1.00 41.15 C ATOM 0 H ILE A 10 2.731 2.766 -9.555 1.00 30.33 H new ATOM 0 HA ILE A 10 2.439 4.631 -11.731 1.00 13.44 H new ATOM 0 HB ILE A 10 4.822 3.897 -9.978 1.00 42.11 H new ATOM 0 HG12 ILE A 10 4.125 6.401 -9.238 1.00 41.53 H new ATOM 0 HG13 ILE A 10 2.546 5.810 -9.717 1.00 41.53 H new ATOM 0 HG21 ILE A 10 5.805 6.007 -10.786 1.00 4.55 H new ATOM 0 HG22 ILE A 10 5.536 4.855 -12.116 1.00 4.55 H new ATOM 0 HG23 ILE A 10 4.423 6.225 -11.886 1.00 4.55 H new ATOM 0 HD11 ILE A 10 2.925 5.459 -7.326 1.00 41.15 H new ATOM 0 HD12 ILE A 10 2.777 3.899 -8.171 1.00 41.15 H new ATOM 0 HD13 ILE A 10 4.380 4.499 -7.684 1.00 41.15 H new ATOM 169 N HIS A 11 3.311 3.260 -13.609 1.00 43.52 N ATOM 170 CA HIS A 11 3.873 2.547 -14.751 1.00 1.22 C ATOM 171 C HIS A 11 5.372 2.807 -14.870 1.00 31.04 C ATOM 172 O HIS A 11 5.794 3.884 -15.292 1.00 43.11 O ATOM 173 CB HIS A 11 3.167 2.968 -16.040 1.00 11.21 C ATOM 174 CG HIS A 11 1.797 2.381 -16.192 1.00 4.33 C ATOM 175 ND1 HIS A 11 1.022 1.992 -15.120 1.00 2.43 N ATOM 176 CD2 HIS A 11 1.064 2.119 -17.299 1.00 3.21 C ATOM 177 CE1 HIS A 11 -0.128 1.515 -15.561 1.00 62.10 C ATOM 178 NE2 HIS A 11 -0.128 1.581 -16.880 1.00 43.22 N ATOM 0 H HIS A 11 2.540 3.886 -13.841 1.00 43.52 H new ATOM 0 HA HIS A 11 3.719 1.480 -14.593 1.00 1.22 H new ATOM 0 HB2 HIS A 11 3.092 4.055 -16.065 1.00 11.21 H new ATOM 0 HB3 HIS A 11 3.777 2.671 -16.893 1.00 11.21 H new ATOM 0 HD2 HIS A 11 1.361 2.299 -18.322 1.00 3.21 H new ATOM 0 HE1 HIS A 11 -0.932 1.136 -14.947 1.00 62.10 H new ATOM 0 HE2 HIS A 11 -0.890 1.281 -17.489 1.00 43.22 H new ATOM 186 N LEU A 12 6.171 1.814 -14.494 1.00 11.51 N ATOM 187 CA LEU A 12 7.623 1.936 -14.558 1.00 23.44 C ATOM 188 C LEU A 12 8.257 0.636 -15.042 1.00 64.23 C ATOM 189 O LEU A 12 8.694 0.536 -16.189 1.00 15.14 O ATOM 190 CB LEU A 12 8.184 2.309 -13.184 1.00 43.14 C ATOM 191 CG LEU A 12 9.708 2.307 -13.059 1.00 23.23 C ATOM 192 CD1 LEU A 12 10.303 3.522 -13.754 1.00 70.51 C ATOM 193 CD2 LEU A 12 10.123 2.272 -11.595 1.00 34.01 C ATOM 0 H LEU A 12 5.838 0.916 -14.142 1.00 11.51 H new ATOM 0 HA LEU A 12 7.866 2.725 -15.270 1.00 23.44 H new ATOM 0 HB2 LEU A 12 7.819 3.302 -12.922 1.00 43.14 H new ATOM 0 HB3 LEU A 12 7.778 1.616 -12.447 1.00 43.14 H new ATOM 0 HG LEU A 12 10.092 1.411 -13.547 1.00 23.23 H new ATOM 0 HD11 LEU A 12 11.388 3.503 -13.654 1.00 70.51 H new ATOM 0 HD12 LEU A 12 10.035 3.504 -14.810 1.00 70.51 H new ATOM 0 HD13 LEU A 12 9.912 4.431 -13.296 1.00 70.51 H new ATOM 0 HD21 LEU A 12 11.211 2.271 -11.525 1.00 34.01 H new ATOM 0 HD22 LEU A 12 9.727 3.149 -11.084 1.00 34.01 H new ATOM 0 HD23 LEU A 12 9.729 1.370 -11.126 1.00 34.01 H new ATOM 205 N ALA A 13 8.303 -0.359 -14.162 1.00 11.33 N ATOM 206 CA ALA A 13 8.879 -1.654 -14.501 1.00 44.31 C ATOM 207 C ALA A 13 10.278 -1.495 -15.087 1.00 61.34 C ATOM 208 O ALA A 13 10.504 -1.770 -16.266 1.00 71.54 O ATOM 209 CB ALA A 13 7.977 -2.394 -15.477 1.00 13.20 C ATOM 0 H ALA A 13 7.948 -0.292 -13.208 1.00 11.33 H new ATOM 0 HA ALA A 13 8.961 -2.239 -13.585 1.00 44.31 H new ATOM 0 HB1 ALA A 13 8.420 -3.360 -15.721 1.00 13.20 H new ATOM 0 HB2 ALA A 13 6.998 -2.548 -15.023 1.00 13.20 H new ATOM 0 HB3 ALA A 13 7.866 -1.805 -16.387 1.00 13.20 H new ATOM 215 N THR A 14 11.216 -1.049 -14.257 1.00 71.13 N ATOM 216 CA THR A 14 12.592 -0.852 -14.694 1.00 23.10 C ATOM 217 C THR A 14 13.297 -2.187 -14.909 1.00 2.41 C ATOM 218 O THR A 14 14.405 -2.236 -15.441 1.00 5.32 O ATOM 219 CB THR A 14 13.392 -0.021 -13.673 1.00 50.43 C ATOM 220 OG1 THR A 14 14.747 0.122 -14.112 1.00 45.23 O ATOM 221 CG2 THR A 14 13.364 -0.676 -12.301 1.00 24.31 C ATOM 0 H THR A 14 11.047 -0.817 -13.278 1.00 71.13 H new ATOM 0 HA THR A 14 12.549 -0.310 -15.639 1.00 23.10 H new ATOM 0 HB THR A 14 12.930 0.963 -13.597 1.00 50.43 H new ATOM 0 HG1 THR A 14 14.980 -0.624 -14.703 1.00 45.23 H new ATOM 0 HG21 THR A 14 13.936 -0.071 -11.597 1.00 24.31 H new ATOM 0 HG22 THR A 14 12.333 -0.756 -11.957 1.00 24.31 H new ATOM 0 HG23 THR A 14 13.804 -1.671 -12.364 1.00 24.31 H new ATOM 229 N GLY A 15 12.646 -3.269 -14.492 1.00 43.41 N ATOM 230 CA GLY A 15 13.227 -4.589 -14.649 1.00 35.53 C ATOM 231 C GLY A 15 14.043 -5.011 -13.443 1.00 41.31 C ATOM 232 O GLY A 15 14.381 -6.185 -13.291 1.00 74.31 O ATOM 0 H GLY A 15 11.727 -3.255 -14.049 1.00 43.41 H new ATOM 0 HA2 GLY A 15 12.432 -5.315 -14.818 1.00 35.53 H new ATOM 0 HA3 GLY A 15 13.862 -4.600 -15.535 1.00 35.53 H new ATOM 236 N THR A 16 14.364 -4.050 -12.582 1.00 42.55 N ATOM 237 CA THR A 16 15.149 -4.326 -11.386 1.00 12.12 C ATOM 238 C THR A 16 14.273 -4.308 -10.138 1.00 63.10 C ATOM 239 O THR A 16 14.632 -4.878 -9.108 1.00 63.23 O ATOM 240 CB THR A 16 16.289 -3.305 -11.214 1.00 2.14 C ATOM 241 OG1 THR A 16 17.154 -3.339 -12.354 1.00 61.53 O ATOM 242 CG2 THR A 16 17.091 -3.596 -9.954 1.00 32.40 C ATOM 0 H THR A 16 14.092 -3.073 -12.691 1.00 42.55 H new ATOM 0 HA THR A 16 15.578 -5.320 -11.512 1.00 12.12 H new ATOM 0 HB THR A 16 15.847 -2.313 -11.124 1.00 2.14 H new ATOM 0 HG1 THR A 16 17.875 -2.686 -12.237 1.00 61.53 H new ATOM 0 HG21 THR A 16 17.890 -2.862 -9.854 1.00 32.40 H new ATOM 0 HG22 THR A 16 16.436 -3.540 -9.085 1.00 32.40 H new ATOM 0 HG23 THR A 16 17.522 -4.595 -10.020 1.00 32.40 H new ATOM 250 N ALA A 17 13.123 -3.650 -10.237 1.00 73.34 N ATOM 251 CA ALA A 17 12.195 -3.561 -9.117 1.00 54.01 C ATOM 252 C ALA A 17 11.425 -4.865 -8.937 1.00 14.23 C ATOM 253 O ALA A 17 11.330 -5.392 -7.828 1.00 74.34 O ATOM 254 CB ALA A 17 11.232 -2.401 -9.321 1.00 15.22 C ATOM 0 H ALA A 17 12.812 -3.171 -11.082 1.00 73.34 H new ATOM 0 HA ALA A 17 12.774 -3.383 -8.211 1.00 54.01 H new ATOM 0 HB1 ALA A 17 10.544 -2.346 -8.477 1.00 15.22 H new ATOM 0 HB2 ALA A 17 11.794 -1.470 -9.392 1.00 15.22 H new ATOM 0 HB3 ALA A 17 10.667 -2.555 -10.240 1.00 15.22 H new ATOM 260 N ARG A 18 10.876 -5.379 -10.033 1.00 20.15 N ATOM 261 CA ARG A 18 10.113 -6.620 -9.994 1.00 75.53 C ATOM 262 C ARG A 18 10.928 -7.741 -9.355 1.00 13.45 C ATOM 263 O ARG A 18 10.373 -8.674 -8.775 1.00 74.42 O ATOM 264 CB ARG A 18 9.688 -7.027 -11.407 1.00 1.23 C ATOM 265 CG ARG A 18 8.265 -7.556 -11.487 1.00 4.14 C ATOM 266 CD ARG A 18 7.284 -6.459 -11.870 1.00 30.42 C ATOM 267 NE ARG A 18 7.159 -6.318 -13.318 1.00 43.01 N ATOM 268 CZ ARG A 18 6.224 -5.581 -13.907 1.00 33.43 C ATOM 269 NH1 ARG A 18 5.336 -4.923 -13.175 1.00 12.32 N ATOM 270 NH2 ARG A 18 6.175 -5.502 -15.230 1.00 61.34 N ATOM 0 H ARG A 18 10.946 -4.955 -10.958 1.00 20.15 H new ATOM 0 HA ARG A 18 9.223 -6.450 -9.388 1.00 75.53 H new ATOM 0 HB2 ARG A 18 9.784 -6.166 -12.068 1.00 1.23 H new ATOM 0 HB3 ARG A 18 10.372 -7.791 -11.777 1.00 1.23 H new ATOM 0 HG2 ARG A 18 8.216 -8.362 -12.219 1.00 4.14 H new ATOM 0 HG3 ARG A 18 7.979 -7.982 -10.525 1.00 4.14 H new ATOM 0 HD2 ARG A 18 6.307 -6.681 -11.442 1.00 30.42 H new ATOM 0 HD3 ARG A 18 7.613 -5.513 -11.441 1.00 30.42 H new ATOM 0 HE ARG A 18 7.826 -6.813 -13.910 1.00 43.01 H new ATOM 0 HH11 ARG A 18 5.370 -4.982 -12.157 1.00 12.32 H new ATOM 0 HH12 ARG A 18 4.619 -4.358 -13.630 1.00 12.32 H new ATOM 0 HH21 ARG A 18 6.856 -6.008 -15.797 1.00 61.34 H new ATOM 0 HH22 ARG A 18 5.456 -4.936 -15.681 1.00 61.34 H new ATOM 284 N LYS A 19 12.248 -7.641 -9.464 1.00 21.01 N ATOM 285 CA LYS A 19 13.141 -8.644 -8.896 1.00 61.12 C ATOM 286 C LYS A 19 13.095 -8.613 -7.372 1.00 24.11 C ATOM 287 O LYS A 19 13.256 -9.642 -6.715 1.00 32.53 O ATOM 288 CB LYS A 19 14.575 -8.412 -9.379 1.00 33.11 C ATOM 289 CG LYS A 19 14.664 -7.960 -10.826 1.00 74.54 C ATOM 290 CD LYS A 19 16.092 -8.017 -11.341 1.00 60.15 C ATOM 291 CE LYS A 19 17.032 -7.201 -10.468 1.00 24.34 C ATOM 292 NZ LYS A 19 18.173 -6.647 -11.248 1.00 25.14 N ATOM 0 H LYS A 19 12.724 -6.875 -9.941 1.00 21.01 H new ATOM 0 HA LYS A 19 12.805 -9.625 -9.232 1.00 61.12 H new ATOM 0 HB2 LYS A 19 15.047 -7.663 -8.743 1.00 33.11 H new ATOM 0 HB3 LYS A 19 15.143 -9.334 -9.260 1.00 33.11 H new ATOM 0 HG2 LYS A 19 14.027 -8.592 -11.445 1.00 74.54 H new ATOM 0 HG3 LYS A 19 14.285 -6.942 -10.914 1.00 74.54 H new ATOM 0 HD2 LYS A 19 16.428 -9.053 -11.370 1.00 60.15 H new ATOM 0 HD3 LYS A 19 16.126 -7.642 -12.364 1.00 60.15 H new ATOM 0 HE2 LYS A 19 16.479 -6.384 -10.004 1.00 24.34 H new ATOM 0 HE3 LYS A 19 17.414 -7.827 -9.661 1.00 24.34 H new ATOM 0 HZ1 LYS A 19 18.843 -6.184 -10.601 1.00 25.14 H new ATOM 0 HZ2 LYS A 19 18.655 -7.418 -11.753 1.00 25.14 H new ATOM 0 HZ3 LYS A 19 17.819 -5.952 -11.935 1.00 25.14 H new ATOM 306 N LEU A 20 12.874 -7.427 -6.815 1.00 64.33 N ATOM 307 CA LEU A 20 12.806 -7.263 -5.367 1.00 52.45 C ATOM 308 C LEU A 20 11.538 -7.899 -4.806 1.00 64.34 C ATOM 309 O LEU A 20 11.584 -8.633 -3.818 1.00 64.33 O ATOM 310 CB LEU A 20 12.850 -5.778 -5.001 1.00 32.23 C ATOM 311 CG LEU A 20 14.224 -5.111 -5.065 1.00 24.54 C ATOM 312 CD1 LEU A 20 14.081 -3.600 -5.149 1.00 41.23 C ATOM 313 CD2 LEU A 20 15.064 -5.503 -3.857 1.00 14.41 C ATOM 0 H LEU A 20 12.739 -6.565 -7.344 1.00 64.33 H new ATOM 0 HA LEU A 20 13.667 -7.766 -4.928 1.00 52.45 H new ATOM 0 HB2 LEU A 20 12.176 -5.240 -5.668 1.00 32.23 H new ATOM 0 HB3 LEU A 20 12.459 -5.662 -3.990 1.00 32.23 H new ATOM 0 HG LEU A 20 14.733 -5.457 -5.965 1.00 24.54 H new ATOM 0 HD11 LEU A 20 15.070 -3.143 -5.194 1.00 41.23 H new ATOM 0 HD12 LEU A 20 13.519 -3.337 -6.045 1.00 41.23 H new ATOM 0 HD13 LEU A 20 13.552 -3.235 -4.269 1.00 41.23 H new ATOM 0 HD21 LEU A 20 16.039 -5.019 -3.919 1.00 14.41 H new ATOM 0 HD22 LEU A 20 14.559 -5.186 -2.944 1.00 14.41 H new ATOM 0 HD23 LEU A 20 15.196 -6.585 -3.841 1.00 14.41 H new ATOM 325 N LEU A 21 10.408 -7.616 -5.444 1.00 40.40 N ATOM 326 CA LEU A 21 9.127 -8.162 -5.010 1.00 70.53 C ATOM 327 C LEU A 21 9.148 -9.687 -5.039 1.00 60.42 C ATOM 328 O LEU A 21 8.328 -10.342 -4.395 1.00 0.21 O ATOM 329 CB LEU A 21 7.999 -7.640 -5.901 1.00 50.44 C ATOM 330 CG LEU A 21 7.291 -6.374 -5.415 1.00 61.52 C ATOM 331 CD1 LEU A 21 6.631 -5.651 -6.579 1.00 30.41 C ATOM 332 CD2 LEU A 21 6.264 -6.716 -4.345 1.00 41.33 C ATOM 0 H LEU A 21 10.353 -7.012 -6.264 1.00 40.40 H new ATOM 0 HA LEU A 21 8.951 -7.838 -3.984 1.00 70.53 H new ATOM 0 HB2 LEU A 21 8.407 -7.446 -6.893 1.00 50.44 H new ATOM 0 HB3 LEU A 21 7.255 -8.429 -6.011 1.00 50.44 H new ATOM 0 HG LEU A 21 8.035 -5.709 -4.977 1.00 61.52 H new ATOM 0 HD11 LEU A 21 6.132 -4.753 -6.214 1.00 30.41 H new ATOM 0 HD12 LEU A 21 7.389 -5.373 -7.311 1.00 30.41 H new ATOM 0 HD13 LEU A 21 5.898 -6.308 -7.047 1.00 30.41 H new ATOM 0 HD21 LEU A 21 5.770 -5.804 -4.010 1.00 41.33 H new ATOM 0 HD22 LEU A 21 5.523 -7.400 -4.758 1.00 41.33 H new ATOM 0 HD23 LEU A 21 6.763 -7.189 -3.499 1.00 41.33 H new ATOM 344 N ASP A 22 10.092 -10.247 -5.789 1.00 13.45 N ATOM 345 CA ASP A 22 10.222 -11.695 -5.899 1.00 1.11 C ATOM 346 C ASP A 22 11.224 -12.229 -4.881 1.00 23.45 C ATOM 347 O ASP A 22 11.653 -13.380 -4.962 1.00 33.13 O ATOM 348 CB ASP A 22 10.657 -12.083 -7.313 1.00 12.10 C ATOM 349 CG ASP A 22 10.436 -13.554 -7.603 1.00 74.44 C ATOM 350 OD1 ASP A 22 9.271 -13.947 -7.822 1.00 54.21 O ATOM 351 OD2 ASP A 22 11.427 -14.314 -7.611 1.00 43.32 O ATOM 0 H ASP A 22 10.778 -9.720 -6.329 1.00 13.45 H new ATOM 0 HA ASP A 22 9.249 -12.140 -5.692 1.00 1.11 H new ATOM 0 HB2 ASP A 22 10.103 -11.486 -8.037 1.00 12.10 H new ATOM 0 HB3 ASP A 22 11.713 -11.844 -7.444 1.00 12.10 H new ATOM 356 N ALA A 23 11.595 -11.385 -3.923 1.00 74.31 N ATOM 357 CA ALA A 23 12.545 -11.773 -2.889 1.00 25.14 C ATOM 358 C ALA A 23 12.098 -11.278 -1.518 1.00 14.13 C ATOM 359 O ALA A 23 12.204 -11.994 -0.522 1.00 64.33 O ATOM 360 CB ALA A 23 13.931 -11.238 -3.218 1.00 62.23 C ATOM 0 H ALA A 23 11.251 -10.428 -3.842 1.00 74.31 H new ATOM 0 HA ALA A 23 12.585 -12.862 -2.858 1.00 25.14 H new ATOM 0 HB1 ALA A 23 14.631 -11.535 -2.437 1.00 62.23 H new ATOM 0 HB2 ALA A 23 14.260 -11.644 -4.174 1.00 62.23 H new ATOM 0 HB3 ALA A 23 13.896 -10.150 -3.279 1.00 62.23 H new ATOM 366 N VAL A 24 11.596 -10.048 -1.473 1.00 2.43 N ATOM 367 CA VAL A 24 11.132 -9.457 -0.224 1.00 15.45 C ATOM 368 C VAL A 24 9.957 -10.240 0.351 1.00 13.25 C ATOM 369 O VAL A 24 9.790 -10.324 1.568 1.00 73.22 O ATOM 370 CB VAL A 24 10.709 -7.989 -0.420 1.00 54.42 C ATOM 371 CG1 VAL A 24 11.870 -7.166 -0.957 1.00 54.42 C ATOM 372 CG2 VAL A 24 9.507 -7.901 -1.349 1.00 43.33 C ATOM 0 H VAL A 24 11.500 -9.442 -2.288 1.00 2.43 H new ATOM 0 HA VAL A 24 11.968 -9.496 0.474 1.00 15.45 H new ATOM 0 HB VAL A 24 10.422 -7.579 0.548 1.00 54.42 H new ATOM 0 HG11 VAL A 24 11.552 -6.132 -1.089 1.00 54.42 H new ATOM 0 HG12 VAL A 24 12.700 -7.203 -0.251 1.00 54.42 H new ATOM 0 HG13 VAL A 24 12.191 -7.572 -1.916 1.00 54.42 H new ATOM 0 HG21 VAL A 24 9.221 -6.857 -1.476 1.00 43.33 H new ATOM 0 HG22 VAL A 24 9.764 -8.328 -2.318 1.00 43.33 H new ATOM 0 HG23 VAL A 24 8.673 -8.455 -0.918 1.00 43.33 H new ATOM 382 N ALA A 25 9.145 -10.812 -0.532 1.00 1.12 N ATOM 383 CA ALA A 25 7.987 -11.591 -0.112 1.00 52.02 C ATOM 384 C ALA A 25 8.412 -12.828 0.671 1.00 71.41 C ATOM 385 O ALA A 25 7.599 -13.454 1.351 1.00 12.34 O ATOM 386 CB ALA A 25 7.153 -11.990 -1.321 1.00 11.51 C ATOM 0 H ALA A 25 9.268 -10.750 -1.543 1.00 1.12 H new ATOM 0 HA ALA A 25 7.380 -10.968 0.545 1.00 52.02 H new ATOM 0 HB1 ALA A 25 6.291 -12.571 -0.993 1.00 11.51 H new ATOM 0 HB2 ALA A 25 6.810 -11.094 -1.838 1.00 11.51 H new ATOM 0 HB3 ALA A 25 7.759 -12.591 -1.999 1.00 11.51 H new ATOM 392 N SER A 26 9.691 -13.177 0.569 1.00 14.05 N ATOM 393 CA SER A 26 10.223 -14.343 1.265 1.00 35.00 C ATOM 394 C SER A 26 11.443 -13.967 2.100 1.00 31.51 C ATOM 395 O SER A 26 12.225 -14.829 2.499 1.00 62.11 O ATOM 396 CB SER A 26 10.594 -15.436 0.261 1.00 30.34 C ATOM 397 OG SER A 26 9.446 -16.148 -0.165 1.00 75.43 O ATOM 0 H SER A 26 10.378 -12.669 0.011 1.00 14.05 H new ATOM 0 HA SER A 26 9.450 -14.721 1.934 1.00 35.00 H new ATOM 0 HB2 SER A 26 11.089 -14.989 -0.601 1.00 30.34 H new ATOM 0 HB3 SER A 26 11.305 -16.125 0.716 1.00 30.34 H new ATOM 0 HG SER A 26 9.710 -16.840 -0.807 1.00 75.43 H new ATOM 403 N GLY A 27 11.598 -12.673 2.361 1.00 44.13 N ATOM 404 CA GLY A 27 12.725 -12.204 3.146 1.00 20.55 C ATOM 405 C GLY A 27 13.093 -10.768 2.833 1.00 12.34 C ATOM 406 O GLY A 27 14.173 -10.497 2.309 1.00 55.41 O ATOM 0 H GLY A 27 10.963 -11.941 2.043 1.00 44.13 H new ATOM 0 HA2 GLY A 27 12.487 -12.292 4.206 1.00 20.55 H new ATOM 0 HA3 GLY A 27 13.586 -12.845 2.959 1.00 20.55 H new ATOM 410 N ALA A 28 12.192 -9.845 3.154 1.00 1.42 N ATOM 411 CA ALA A 28 12.428 -8.428 2.904 1.00 33.12 C ATOM 412 C ALA A 28 13.478 -7.869 3.858 1.00 32.44 C ATOM 413 O ALA A 28 13.145 -7.274 4.883 1.00 41.31 O ATOM 414 CB ALA A 28 11.128 -7.647 3.030 1.00 3.41 C ATOM 0 H ALA A 28 11.292 -10.053 3.587 1.00 1.42 H new ATOM 0 HA ALA A 28 12.806 -8.322 1.887 1.00 33.12 H new ATOM 0 HB1 ALA A 28 11.318 -6.591 2.841 1.00 3.41 H new ATOM 0 HB2 ALA A 28 10.407 -8.021 2.304 1.00 3.41 H new ATOM 0 HB3 ALA A 28 10.726 -7.769 4.036 1.00 3.41 H new ATOM 420 N SER A 29 14.747 -8.066 3.516 1.00 71.44 N ATOM 421 CA SER A 29 15.846 -7.586 4.345 1.00 40.14 C ATOM 422 C SER A 29 16.513 -6.369 3.711 1.00 60.04 C ATOM 423 O SER A 29 16.956 -5.455 4.408 1.00 71.31 O ATOM 424 CB SER A 29 16.878 -8.696 4.554 1.00 12.10 C ATOM 425 OG SER A 29 17.822 -8.334 5.547 1.00 34.22 O ATOM 0 H SER A 29 15.040 -8.555 2.670 1.00 71.44 H new ATOM 0 HA SER A 29 15.438 -7.293 5.312 1.00 40.14 H new ATOM 0 HB2 SER A 29 16.373 -9.616 4.846 1.00 12.10 H new ATOM 0 HB3 SER A 29 17.393 -8.900 3.615 1.00 12.10 H new ATOM 0 HG SER A 29 18.470 -9.060 5.663 1.00 34.22 H new ATOM 431 N LEU A 30 16.581 -6.364 2.384 1.00 63.00 N ATOM 432 CA LEU A 30 17.194 -5.260 1.654 1.00 41.14 C ATOM 433 C LEU A 30 16.618 -3.922 2.105 1.00 11.22 C ATOM 434 O LEU A 30 15.427 -3.813 2.395 1.00 61.12 O ATOM 435 CB LEU A 30 16.982 -5.438 0.149 1.00 1.31 C ATOM 436 CG LEU A 30 18.248 -5.603 -0.692 1.00 61.22 C ATOM 437 CD1 LEU A 30 19.256 -4.514 -0.360 1.00 1.01 C ATOM 438 CD2 LEU A 30 18.857 -6.981 -0.474 1.00 42.41 C ATOM 0 H LEU A 30 16.219 -7.112 1.792 1.00 63.00 H new ATOM 0 HA LEU A 30 18.263 -5.265 1.868 1.00 41.14 H new ATOM 0 HB2 LEU A 30 16.349 -6.312 -0.008 1.00 1.31 H new ATOM 0 HB3 LEU A 30 16.432 -4.575 -0.225 1.00 1.31 H new ATOM 0 HG LEU A 30 17.977 -5.509 -1.744 1.00 61.22 H new ATOM 0 HD11 LEU A 30 20.150 -4.648 -0.969 1.00 1.01 H new ATOM 0 HD12 LEU A 30 18.819 -3.538 -0.568 1.00 1.01 H new ATOM 0 HD13 LEU A 30 19.523 -4.575 0.695 1.00 1.01 H new ATOM 0 HD21 LEU A 30 19.757 -7.081 -1.080 1.00 42.41 H new ATOM 0 HD22 LEU A 30 19.113 -7.103 0.578 1.00 42.41 H new ATOM 0 HD23 LEU A 30 18.137 -7.747 -0.764 1.00 42.41 H new ATOM 450 N GLY A 31 17.472 -2.904 2.161 1.00 53.10 N ATOM 451 CA GLY A 31 17.028 -1.586 2.576 1.00 44.21 C ATOM 452 C GLY A 31 17.457 -0.499 1.610 1.00 24.21 C ATOM 453 O GLY A 31 16.732 0.472 1.394 1.00 43.50 O ATOM 0 H GLY A 31 18.463 -2.969 1.927 1.00 53.10 H new ATOM 0 HA2 GLY A 31 15.941 -1.583 2.663 1.00 44.21 H new ATOM 0 HA3 GLY A 31 17.428 -1.366 3.566 1.00 44.21 H new ATOM 457 N THR A 32 18.641 -0.661 1.027 1.00 24.03 N ATOM 458 CA THR A 32 19.168 0.315 0.082 1.00 54.13 C ATOM 459 C THR A 32 18.540 0.139 -1.296 1.00 41.24 C ATOM 460 O THR A 32 18.019 1.091 -1.877 1.00 73.54 O ATOM 461 CB THR A 32 20.699 0.205 -0.046 1.00 74.21 C ATOM 462 OG1 THR A 32 21.280 -0.047 1.238 1.00 65.32 O ATOM 463 CG2 THR A 32 21.286 1.479 -0.633 1.00 51.33 C ATOM 0 H THR A 32 19.253 -1.460 1.193 1.00 24.03 H new ATOM 0 HA THR A 32 18.914 1.301 0.472 1.00 54.13 H new ATOM 0 HB THR A 32 20.927 -0.623 -0.717 1.00 74.21 H new ATOM 0 HG1 THR A 32 22.253 -0.117 1.148 1.00 65.32 H new ATOM 0 HG21 THR A 32 22.368 1.377 -0.714 1.00 51.33 H new ATOM 0 HG22 THR A 32 20.863 1.652 -1.623 1.00 51.33 H new ATOM 0 HG23 THR A 32 21.048 2.322 0.016 1.00 51.33 H new ATOM 471 N ALA A 33 18.593 -1.084 -1.814 1.00 3.30 N ATOM 472 CA ALA A 33 18.027 -1.384 -3.123 1.00 63.41 C ATOM 473 C ALA A 33 16.567 -0.953 -3.202 1.00 51.41 C ATOM 474 O ALA A 33 16.095 -0.515 -4.251 1.00 55.34 O ATOM 475 CB ALA A 33 18.158 -2.870 -3.426 1.00 14.22 C ATOM 0 H ALA A 33 19.022 -1.883 -1.347 1.00 3.30 H new ATOM 0 HA ALA A 33 18.585 -0.821 -3.871 1.00 63.41 H new ATOM 0 HB1 ALA A 33 17.731 -3.080 -4.407 1.00 14.22 H new ATOM 0 HB2 ALA A 33 19.211 -3.151 -3.421 1.00 14.22 H new ATOM 0 HB3 ALA A 33 17.625 -3.444 -2.668 1.00 14.22 H new ATOM 481 N PHE A 34 15.856 -1.080 -2.087 1.00 10.54 N ATOM 482 CA PHE A 34 14.448 -0.704 -2.030 1.00 41.24 C ATOM 483 C PHE A 34 14.287 0.812 -2.091 1.00 10.41 C ATOM 484 O PHE A 34 13.271 1.321 -2.563 1.00 35.13 O ATOM 485 CB PHE A 34 13.804 -1.246 -0.752 1.00 43.25 C ATOM 486 CG PHE A 34 12.326 -1.477 -0.878 1.00 34.22 C ATOM 487 CD1 PHE A 34 11.827 -2.367 -1.816 1.00 24.23 C ATOM 488 CD2 PHE A 34 11.434 -0.805 -0.058 1.00 32.35 C ATOM 489 CE1 PHE A 34 10.467 -2.581 -1.934 1.00 21.34 C ATOM 490 CE2 PHE A 34 10.072 -1.016 -0.170 1.00 43.35 C ATOM 491 CZ PHE A 34 9.589 -1.906 -1.109 1.00 54.32 C ATOM 0 H PHE A 34 16.232 -1.441 -1.210 1.00 10.54 H new ATOM 0 HA PHE A 34 13.946 -1.140 -2.894 1.00 41.24 H new ATOM 0 HB2 PHE A 34 14.288 -2.184 -0.480 1.00 43.25 H new ATOM 0 HB3 PHE A 34 13.986 -0.545 0.063 1.00 43.25 H new ATOM 0 HD1 PHE A 34 12.509 -2.899 -2.462 1.00 24.23 H new ATOM 0 HD2 PHE A 34 11.807 -0.108 0.678 1.00 32.35 H new ATOM 0 HE1 PHE A 34 10.091 -3.275 -2.671 1.00 21.34 H new ATOM 0 HE2 PHE A 34 9.387 -0.486 0.476 1.00 43.35 H new ATOM 0 HZ PHE A 34 8.526 -2.074 -1.198 1.00 54.32 H new ATOM 501 N ALA A 35 15.298 1.528 -1.609 1.00 15.50 N ATOM 502 CA ALA A 35 15.270 2.986 -1.609 1.00 75.21 C ATOM 503 C ALA A 35 15.614 3.541 -2.987 1.00 11.42 C ATOM 504 O ALA A 35 15.267 4.676 -3.314 1.00 34.25 O ATOM 505 CB ALA A 35 16.229 3.532 -0.563 1.00 3.24 C ATOM 0 H ALA A 35 16.146 1.122 -1.214 1.00 15.50 H new ATOM 0 HA ALA A 35 14.258 3.306 -1.360 1.00 75.21 H new ATOM 0 HB1 ALA A 35 16.198 4.621 -0.574 1.00 3.24 H new ATOM 0 HB2 ALA A 35 15.936 3.171 0.423 1.00 3.24 H new ATOM 0 HB3 ALA A 35 17.241 3.196 -0.787 1.00 3.24 H new ATOM 511 N ALA A 36 16.299 2.735 -3.791 1.00 23.24 N ATOM 512 CA ALA A 36 16.689 3.146 -5.134 1.00 24.25 C ATOM 513 C ALA A 36 15.535 2.978 -6.116 1.00 2.21 C ATOM 514 O ALA A 36 15.553 3.542 -7.210 1.00 53.14 O ATOM 515 CB ALA A 36 17.900 2.350 -5.598 1.00 43.31 C ATOM 0 H ALA A 36 16.596 1.793 -3.536 1.00 23.24 H new ATOM 0 HA ALA A 36 16.953 4.203 -5.102 1.00 24.25 H new ATOM 0 HB1 ALA A 36 18.181 2.667 -6.602 1.00 43.31 H new ATOM 0 HB2 ALA A 36 18.733 2.524 -4.917 1.00 43.31 H new ATOM 0 HB3 ALA A 36 17.655 1.288 -5.608 1.00 43.31 H new ATOM 521 N ILE A 37 14.535 2.200 -5.718 1.00 75.45 N ATOM 522 CA ILE A 37 13.372 1.959 -6.565 1.00 23.34 C ATOM 523 C ILE A 37 12.192 2.824 -6.136 1.00 73.51 C ATOM 524 O ILE A 37 11.282 3.086 -6.924 1.00 32.21 O ATOM 525 CB ILE A 37 12.949 0.478 -6.531 1.00 53.40 C ATOM 526 CG1 ILE A 37 12.670 0.037 -5.093 1.00 2.54 C ATOM 527 CG2 ILE A 37 14.025 -0.395 -7.159 1.00 55.35 C ATOM 528 CD1 ILE A 37 11.796 -1.193 -4.996 1.00 54.13 C ATOM 0 H ILE A 37 14.506 1.726 -4.815 1.00 75.45 H new ATOM 0 HA ILE A 37 13.661 2.222 -7.582 1.00 23.34 H new ATOM 0 HB ILE A 37 12.033 0.364 -7.110 1.00 53.40 H new ATOM 0 HG12 ILE A 37 13.618 -0.160 -4.592 1.00 2.54 H new ATOM 0 HG13 ILE A 37 12.191 0.856 -4.557 1.00 2.54 H new ATOM 0 HG21 ILE A 37 13.711 -1.438 -7.127 1.00 55.35 H new ATOM 0 HG22 ILE A 37 14.179 -0.094 -8.195 1.00 55.35 H new ATOM 0 HG23 ILE A 37 14.957 -0.279 -6.605 1.00 55.35 H new ATOM 0 HD11 ILE A 37 11.641 -1.447 -3.947 1.00 54.13 H new ATOM 0 HD12 ILE A 37 10.834 -0.994 -5.468 1.00 54.13 H new ATOM 0 HD13 ILE A 37 12.283 -2.026 -5.503 1.00 54.13 H new ATOM 540 N LEU A 38 12.213 3.266 -4.884 1.00 22.44 N ATOM 541 CA LEU A 38 11.145 4.104 -4.350 1.00 21.44 C ATOM 542 C LEU A 38 11.531 5.578 -4.405 1.00 11.32 C ATOM 543 O LEU A 38 10.893 6.421 -3.775 1.00 5.21 O ATOM 544 CB LEU A 38 10.827 3.702 -2.908 1.00 72.55 C ATOM 545 CG LEU A 38 9.647 2.746 -2.723 1.00 44.21 C ATOM 546 CD1 LEU A 38 10.048 1.326 -3.091 1.00 71.00 C ATOM 547 CD2 LEU A 38 9.134 2.804 -1.292 1.00 23.33 C ATOM 0 H LEU A 38 12.958 3.058 -4.219 1.00 22.44 H new ATOM 0 HA LEU A 38 10.258 3.956 -4.966 1.00 21.44 H new ATOM 0 HB2 LEU A 38 11.715 3.240 -2.477 1.00 72.55 H new ATOM 0 HB3 LEU A 38 10.629 4.608 -2.335 1.00 72.55 H new ATOM 0 HG LEU A 38 8.843 3.058 -3.389 1.00 44.21 H new ATOM 0 HD11 LEU A 38 9.196 0.660 -2.953 1.00 71.00 H new ATOM 0 HD12 LEU A 38 10.367 1.296 -4.133 1.00 71.00 H new ATOM 0 HD13 LEU A 38 10.869 1.002 -2.451 1.00 71.00 H new ATOM 0 HD21 LEU A 38 8.295 2.118 -1.178 1.00 23.33 H new ATOM 0 HD22 LEU A 38 9.932 2.517 -0.607 1.00 23.33 H new ATOM 0 HD23 LEU A 38 8.807 3.818 -1.064 1.00 23.33 H new ATOM 559 N GLY A 39 12.578 5.883 -5.165 1.00 25.10 N ATOM 560 CA GLY A 39 13.030 7.256 -5.290 1.00 52.52 C ATOM 561 C GLY A 39 12.709 7.851 -6.647 1.00 61.44 C ATOM 562 O GLY A 39 12.781 9.065 -6.834 1.00 43.32 O ATOM 0 H GLY A 39 13.122 5.203 -5.697 1.00 25.10 H new ATOM 0 HA2 GLY A 39 12.564 7.861 -4.512 1.00 52.52 H new ATOM 0 HA3 GLY A 39 14.106 7.297 -5.124 1.00 52.52 H new ATOM 566 N VAL A 40 12.355 6.992 -7.599 1.00 0.42 N ATOM 567 CA VAL A 40 12.023 7.439 -8.946 1.00 53.23 C ATOM 568 C VAL A 40 10.654 8.109 -8.981 1.00 53.12 C ATOM 569 O VAL A 40 10.417 9.024 -9.771 1.00 2.34 O ATOM 570 CB VAL A 40 12.034 6.267 -9.945 1.00 71.31 C ATOM 571 CG1 VAL A 40 11.132 5.143 -9.459 1.00 71.52 C ATOM 572 CG2 VAL A 40 11.611 6.741 -11.327 1.00 64.13 C ATOM 0 H VAL A 40 12.291 5.983 -7.461 1.00 0.42 H new ATOM 0 HA VAL A 40 12.786 8.162 -9.236 1.00 53.23 H new ATOM 0 HB VAL A 40 13.051 5.881 -10.014 1.00 71.31 H new ATOM 0 HG11 VAL A 40 11.152 4.324 -10.178 1.00 71.52 H new ATOM 0 HG12 VAL A 40 11.485 4.786 -8.491 1.00 71.52 H new ATOM 0 HG13 VAL A 40 10.111 5.513 -9.359 1.00 71.52 H new ATOM 0 HG21 VAL A 40 11.625 5.900 -12.020 1.00 64.13 H new ATOM 0 HG22 VAL A 40 10.604 7.154 -11.277 1.00 64.13 H new ATOM 0 HG23 VAL A 40 12.301 7.509 -11.675 1.00 64.13 H new ATOM 582 N THR A 41 9.753 7.648 -8.119 1.00 72.52 N ATOM 583 CA THR A 41 8.406 8.201 -8.051 1.00 43.02 C ATOM 584 C THR A 41 7.958 8.381 -6.605 1.00 61.33 C ATOM 585 O THR A 41 7.338 9.387 -6.257 1.00 62.41 O ATOM 586 CB THR A 41 7.392 7.302 -8.783 1.00 52.43 C ATOM 587 OG1 THR A 41 6.058 7.747 -8.512 1.00 41.30 O ATOM 588 CG2 THR A 41 7.545 5.851 -8.353 1.00 42.32 C ATOM 0 H THR A 41 9.932 6.892 -7.458 1.00 72.52 H new ATOM 0 HA THR A 41 8.438 9.174 -8.542 1.00 43.02 H new ATOM 0 HB THR A 41 7.587 7.369 -9.853 1.00 52.43 H new ATOM 0 HG1 THR A 41 5.618 7.994 -9.352 1.00 41.30 H new ATOM 0 HG21 THR A 41 6.818 5.236 -8.883 1.00 42.32 H new ATOM 0 HG22 THR A 41 8.552 5.506 -8.587 1.00 42.32 H new ATOM 0 HG23 THR A 41 7.374 5.770 -7.280 1.00 42.32 H new ATOM 596 N LEU A 42 8.275 7.401 -5.766 1.00 65.25 N ATOM 597 CA LEU A 42 7.906 7.451 -4.356 1.00 52.22 C ATOM 598 C LEU A 42 8.790 8.434 -3.596 1.00 44.42 C ATOM 599 O LEU A 42 9.880 8.798 -4.040 1.00 12.13 O ATOM 600 CB LEU A 42 8.015 6.060 -3.730 1.00 22.11 C ATOM 601 CG LEU A 42 6.762 5.187 -3.811 1.00 64.12 C ATOM 602 CD1 LEU A 42 6.801 4.312 -5.054 1.00 64.42 C ATOM 603 CD2 LEU A 42 6.625 4.333 -2.559 1.00 65.33 C ATOM 0 H LEU A 42 8.787 6.562 -6.038 1.00 65.25 H new ATOM 0 HA LEU A 42 6.873 7.793 -4.288 1.00 52.22 H new ATOM 0 HB2 LEU A 42 8.835 5.529 -4.214 1.00 22.11 H new ATOM 0 HB3 LEU A 42 8.285 6.176 -2.680 1.00 22.11 H new ATOM 0 HG LEU A 42 5.891 5.839 -3.878 1.00 64.12 H new ATOM 0 HD11 LEU A 42 5.901 3.698 -5.095 1.00 64.42 H new ATOM 0 HD12 LEU A 42 6.850 4.943 -5.942 1.00 64.42 H new ATOM 0 HD13 LEU A 42 7.679 3.667 -5.018 1.00 64.42 H new ATOM 0 HD21 LEU A 42 5.728 3.718 -2.634 1.00 65.33 H new ATOM 0 HD22 LEU A 42 7.499 3.689 -2.460 1.00 65.33 H new ATOM 0 HD23 LEU A 42 6.550 4.979 -1.684 1.00 65.33 H new ATOM 615 N PRO A 43 8.314 8.874 -2.422 1.00 53.21 N ATOM 616 CA PRO A 43 9.047 9.819 -1.574 1.00 74.20 C ATOM 617 C PRO A 43 10.288 9.193 -0.947 1.00 74.31 C ATOM 618 O PRO A 43 10.677 8.079 -1.297 1.00 73.12 O ATOM 619 CB PRO A 43 8.029 10.187 -0.492 1.00 12.42 C ATOM 620 CG PRO A 43 7.102 9.022 -0.431 1.00 3.44 C ATOM 621 CD PRO A 43 7.023 8.483 -1.832 1.00 33.41 C ATOM 0 HA PRO A 43 9.416 10.674 -2.141 1.00 74.20 H new ATOM 0 HB2 PRO A 43 8.516 10.356 0.468 1.00 12.42 H new ATOM 0 HB3 PRO A 43 7.496 11.104 -0.745 1.00 12.42 H new ATOM 0 HG2 PRO A 43 7.473 8.264 0.259 1.00 3.44 H new ATOM 0 HG3 PRO A 43 6.118 9.324 -0.073 1.00 3.44 H new ATOM 0 HD2 PRO A 43 6.889 7.401 -1.839 1.00 33.41 H new ATOM 0 HD3 PRO A 43 6.184 8.912 -2.381 1.00 33.41 H new ATOM 629 N ALA A 44 10.905 9.916 -0.018 1.00 73.24 N ATOM 630 CA ALA A 44 12.100 9.429 0.659 1.00 3.50 C ATOM 631 C ALA A 44 11.775 8.949 2.069 1.00 2.54 C ATOM 632 O ALA A 44 12.422 8.041 2.590 1.00 4.14 O ATOM 633 CB ALA A 44 13.162 10.518 0.702 1.00 44.15 C ATOM 0 H ALA A 44 10.597 10.841 0.283 1.00 73.24 H new ATOM 0 HA ALA A 44 12.487 8.580 0.095 1.00 3.50 H new ATOM 0 HB1 ALA A 44 14.049 10.141 1.210 1.00 44.15 H new ATOM 0 HB2 ALA A 44 13.423 10.812 -0.315 1.00 44.15 H new ATOM 0 HB3 ALA A 44 12.775 11.383 1.241 1.00 44.15 H new ATOM 639 N TRP A 45 10.770 9.565 2.682 1.00 44.23 N ATOM 640 CA TRP A 45 10.361 9.200 4.033 1.00 15.51 C ATOM 641 C TRP A 45 9.807 7.780 4.069 1.00 13.44 C ATOM 642 O TRP A 45 9.942 7.077 5.070 1.00 10.11 O ATOM 643 CB TRP A 45 9.311 10.184 4.553 1.00 54.04 C ATOM 644 CG TRP A 45 8.018 10.127 3.797 1.00 74.22 C ATOM 645 CD1 TRP A 45 7.616 10.964 2.795 1.00 21.21 C ATOM 646 CD2 TRP A 45 6.957 9.184 3.984 1.00 72.43 C ATOM 647 NE1 TRP A 45 6.369 10.598 2.348 1.00 24.31 N ATOM 648 CE2 TRP A 45 5.944 9.508 3.060 1.00 15.04 C ATOM 649 CE3 TRP A 45 6.765 8.096 4.839 1.00 30.43 C ATOM 650 CZ2 TRP A 45 4.758 8.783 2.972 1.00 51.52 C ATOM 651 CZ3 TRP A 45 5.588 7.378 4.750 1.00 34.34 C ATOM 652 CH2 TRP A 45 4.597 7.723 3.822 1.00 53.32 C ATOM 0 H TRP A 45 10.224 10.319 2.265 1.00 44.23 H new ATOM 0 HA TRP A 45 11.240 9.243 4.676 1.00 15.51 H new ATOM 0 HB2 TRP A 45 9.118 9.976 5.605 1.00 54.04 H new ATOM 0 HB3 TRP A 45 9.712 11.196 4.497 1.00 54.04 H new ATOM 0 HD1 TRP A 45 8.193 11.792 2.411 1.00 21.21 H new ATOM 0 HE1 TRP A 45 5.845 11.063 1.606 1.00 24.31 H new ATOM 0 HE3 TRP A 45 7.523 7.821 5.557 1.00 30.43 H new ATOM 0 HZ2 TRP A 45 3.992 9.048 2.258 1.00 51.52 H new ATOM 0 HZ3 TRP A 45 5.429 6.536 5.407 1.00 34.34 H new ATOM 0 HH2 TRP A 45 3.688 7.141 3.777 1.00 53.32 H new ATOM 663 N ALA A 46 9.183 7.365 2.972 1.00 61.22 N ATOM 664 CA ALA A 46 8.611 6.027 2.878 1.00 10.42 C ATOM 665 C ALA A 46 9.668 4.959 3.135 1.00 22.11 C ATOM 666 O ALA A 46 9.353 3.853 3.577 1.00 5.11 O ATOM 667 CB ALA A 46 7.971 5.822 1.514 1.00 75.35 C ATOM 0 H ALA A 46 9.060 7.936 2.136 1.00 61.22 H new ATOM 0 HA ALA A 46 7.843 5.932 3.645 1.00 10.42 H new ATOM 0 HB1 ALA A 46 7.548 4.819 1.458 1.00 75.35 H new ATOM 0 HB2 ALA A 46 7.180 6.558 1.369 1.00 75.35 H new ATOM 0 HB3 ALA A 46 8.725 5.942 0.736 1.00 75.35 H new ATOM 673 N LEU A 47 10.922 5.295 2.855 1.00 45.10 N ATOM 674 CA LEU A 47 12.027 4.364 3.055 1.00 22.42 C ATOM 675 C LEU A 47 12.327 4.185 4.540 1.00 15.02 C ATOM 676 O LEU A 47 12.696 3.098 4.983 1.00 72.33 O ATOM 677 CB LEU A 47 13.277 4.860 2.327 1.00 5.54 C ATOM 678 CG LEU A 47 13.050 5.473 0.945 1.00 4.51 C ATOM 679 CD1 LEU A 47 14.364 5.961 0.355 1.00 4.41 C ATOM 680 CD2 LEU A 47 12.388 4.465 0.017 1.00 45.51 C ATOM 0 H LEU A 47 11.199 6.206 2.489 1.00 45.10 H new ATOM 0 HA LEU A 47 11.734 3.398 2.643 1.00 22.42 H new ATOM 0 HB2 LEU A 47 13.768 5.603 2.956 1.00 5.54 H new ATOM 0 HB3 LEU A 47 13.968 4.024 2.222 1.00 5.54 H new ATOM 0 HG LEU A 47 12.384 6.329 1.053 1.00 4.51 H new ATOM 0 HD11 LEU A 47 14.183 6.394 -0.629 1.00 4.41 H new ATOM 0 HD12 LEU A 47 14.798 6.717 1.010 1.00 4.41 H new ATOM 0 HD13 LEU A 47 15.054 5.123 0.261 1.00 4.41 H new ATOM 0 HD21 LEU A 47 12.234 4.918 -0.962 1.00 45.51 H new ATOM 0 HD22 LEU A 47 13.029 3.589 -0.085 1.00 45.51 H new ATOM 0 HD23 LEU A 47 11.426 4.164 0.433 1.00 45.51 H new ATOM 692 N ALA A 48 12.163 5.260 5.305 1.00 74.50 N ATOM 693 CA ALA A 48 12.411 5.220 6.741 1.00 41.43 C ATOM 694 C ALA A 48 11.301 4.470 7.470 1.00 43.44 C ATOM 695 O ALA A 48 11.528 3.880 8.525 1.00 61.40 O ATOM 696 CB ALA A 48 12.547 6.632 7.292 1.00 53.25 C ATOM 0 H ALA A 48 11.860 6.168 4.954 1.00 74.50 H new ATOM 0 HA ALA A 48 13.345 4.684 6.909 1.00 41.43 H new ATOM 0 HB1 ALA A 48 12.732 6.588 8.365 1.00 53.25 H new ATOM 0 HB2 ALA A 48 13.380 7.136 6.801 1.00 53.25 H new ATOM 0 HB3 ALA A 48 11.627 7.186 7.105 1.00 53.25 H new ATOM 702 N ALA A 49 10.101 4.499 6.900 1.00 11.30 N ATOM 703 CA ALA A 49 8.956 3.821 7.495 1.00 24.04 C ATOM 704 C ALA A 49 9.049 2.312 7.298 1.00 72.33 C ATOM 705 O ALA A 49 8.484 1.539 8.071 1.00 2.24 O ATOM 706 CB ALA A 49 7.660 4.354 6.903 1.00 2.44 C ATOM 0 H ALA A 49 9.896 4.985 6.027 1.00 11.30 H new ATOM 0 HA ALA A 49 8.962 4.022 8.566 1.00 24.04 H new ATOM 0 HB1 ALA A 49 6.814 3.838 7.357 1.00 2.44 H new ATOM 0 HB2 ALA A 49 7.582 5.423 7.101 1.00 2.44 H new ATOM 0 HB3 ALA A 49 7.654 4.183 5.827 1.00 2.44 H new ATOM 712 N ALA A 50 9.764 1.899 6.256 1.00 33.22 N ATOM 713 CA ALA A 50 9.931 0.482 5.958 1.00 72.21 C ATOM 714 C ALA A 50 11.080 -0.117 6.762 1.00 43.54 C ATOM 715 O ALA A 50 11.096 -1.314 7.043 1.00 25.02 O ATOM 716 CB ALA A 50 10.165 0.280 4.468 1.00 13.11 C ATOM 0 H ALA A 50 10.237 2.526 5.605 1.00 33.22 H new ATOM 0 HA ALA A 50 9.015 -0.034 6.244 1.00 72.21 H new ATOM 0 HB1 ALA A 50 10.288 -0.783 4.260 1.00 13.11 H new ATOM 0 HB2 ALA A 50 9.310 0.662 3.910 1.00 13.11 H new ATOM 0 HB3 ALA A 50 11.065 0.816 4.165 1.00 13.11 H new ATOM 722 N GLY A 51 12.042 0.726 7.128 1.00 71.31 N ATOM 723 CA GLY A 51 13.183 0.261 7.895 1.00 33.20 C ATOM 724 C GLY A 51 12.786 -0.282 9.254 1.00 55.15 C ATOM 725 O GLY A 51 13.055 -1.440 9.570 1.00 71.35 O ATOM 0 H GLY A 51 12.051 1.722 6.907 1.00 71.31 H new ATOM 0 HA2 GLY A 51 13.702 -0.516 7.334 1.00 33.20 H new ATOM 0 HA3 GLY A 51 13.887 1.082 8.027 1.00 33.20 H new ATOM 729 N ALA A 52 12.145 0.558 10.060 1.00 75.30 N ATOM 730 CA ALA A 52 11.710 0.156 11.392 1.00 75.42 C ATOM 731 C ALA A 52 10.566 -0.850 11.315 1.00 21.44 C ATOM 732 O ALA A 52 10.651 -1.946 11.872 1.00 62.12 O ATOM 733 CB ALA A 52 11.290 1.374 12.200 1.00 12.23 C ATOM 0 H ALA A 52 11.915 1.521 9.814 1.00 75.30 H new ATOM 0 HA ALA A 52 12.550 -0.326 11.892 1.00 75.42 H new ATOM 0 HB1 ALA A 52 10.968 1.059 13.192 1.00 12.23 H new ATOM 0 HB2 ALA A 52 12.134 2.058 12.293 1.00 12.23 H new ATOM 0 HB3 ALA A 52 10.467 1.880 11.695 1.00 12.23 H new ATOM 739 N LEU A 53 9.497 -0.472 10.624 1.00 13.01 N ATOM 740 CA LEU A 53 8.335 -1.341 10.475 1.00 33.34 C ATOM 741 C LEU A 53 8.291 -1.959 9.081 1.00 5.23 C ATOM 742 O LEU A 53 8.661 -1.320 8.097 1.00 62.52 O ATOM 743 CB LEU A 53 7.049 -0.556 10.738 1.00 54.12 C ATOM 744 CG LEU A 53 6.826 -0.094 12.178 1.00 4.14 C ATOM 745 CD1 LEU A 53 7.456 1.272 12.404 1.00 25.42 C ATOM 746 CD2 LEU A 53 5.340 -0.058 12.504 1.00 63.02 C ATOM 0 H LEU A 53 9.410 0.431 10.158 1.00 13.01 H new ATOM 0 HA LEU A 53 8.418 -2.145 11.206 1.00 33.34 H new ATOM 0 HB2 LEU A 53 7.044 0.322 10.091 1.00 54.12 H new ATOM 0 HB3 LEU A 53 6.202 -1.175 10.441 1.00 54.12 H new ATOM 0 HG LEU A 53 7.306 -0.809 12.846 1.00 4.14 H new ATOM 0 HD11 LEU A 53 7.287 1.585 13.434 1.00 25.42 H new ATOM 0 HD12 LEU A 53 8.528 1.214 12.213 1.00 25.42 H new ATOM 0 HD13 LEU A 53 7.005 1.997 11.726 1.00 25.42 H new ATOM 0 HD21 LEU A 53 5.201 0.273 13.533 1.00 63.02 H new ATOM 0 HD22 LEU A 53 4.836 0.634 11.829 1.00 63.02 H new ATOM 0 HD23 LEU A 53 4.917 -1.055 12.384 1.00 63.02 H new ATOM 758 N GLY A 54 7.835 -3.205 9.005 1.00 30.45 N ATOM 759 CA GLY A 54 7.750 -3.888 7.727 1.00 14.45 C ATOM 760 C GLY A 54 6.512 -3.499 6.944 1.00 15.42 C ATOM 761 O GLY A 54 5.431 -3.349 7.513 1.00 13.41 O ATOM 0 H GLY A 54 7.523 -3.754 9.806 1.00 30.45 H new ATOM 0 HA2 GLY A 54 8.637 -3.659 7.136 1.00 14.45 H new ATOM 0 HA3 GLY A 54 7.747 -4.965 7.893 1.00 14.45 H new ATOM 765 N ALA A 55 6.669 -3.333 5.635 1.00 62.20 N ATOM 766 CA ALA A 55 5.555 -2.959 4.773 1.00 61.44 C ATOM 767 C ALA A 55 4.389 -3.930 4.930 1.00 3.32 C ATOM 768 O ALA A 55 4.405 -5.031 4.378 1.00 13.44 O ATOM 769 CB ALA A 55 6.007 -2.905 3.321 1.00 73.34 C ATOM 0 H ALA A 55 7.557 -3.452 5.148 1.00 62.20 H new ATOM 0 HA ALA A 55 5.212 -1.969 5.073 1.00 61.44 H new ATOM 0 HB1 ALA A 55 5.165 -2.624 2.688 1.00 73.34 H new ATOM 0 HB2 ALA A 55 6.802 -2.167 3.215 1.00 73.34 H new ATOM 0 HB3 ALA A 55 6.378 -3.884 3.019 1.00 73.34 H new ATOM 775 N THR A 56 3.378 -3.515 5.688 1.00 64.14 N ATOM 776 CA THR A 56 2.205 -4.348 5.919 1.00 23.25 C ATOM 777 C THR A 56 1.279 -4.342 4.709 1.00 33.20 C ATOM 778 O THR A 56 0.131 -3.907 4.796 1.00 1.33 O ATOM 779 CB THR A 56 1.418 -3.878 7.157 1.00 52.31 C ATOM 780 OG1 THR A 56 0.208 -4.634 7.284 1.00 4.35 O ATOM 781 CG2 THR A 56 1.088 -2.396 7.057 1.00 34.10 C ATOM 0 H THR A 56 3.349 -2.607 6.152 1.00 64.14 H new ATOM 0 HA THR A 56 2.566 -5.362 6.091 1.00 23.25 H new ATOM 0 HB THR A 56 2.040 -4.037 8.038 1.00 52.31 H new ATOM 0 HG1 THR A 56 -0.381 -4.439 6.525 1.00 4.35 H new ATOM 0 HG21 THR A 56 0.532 -2.086 7.942 1.00 34.10 H new ATOM 0 HG22 THR A 56 2.012 -1.821 6.989 1.00 34.10 H new ATOM 0 HG23 THR A 56 0.483 -2.217 6.168 1.00 34.10 H new ATOM 789 N ALA A 57 1.784 -4.829 3.580 1.00 2.23 N ATOM 790 CA ALA A 57 1.000 -4.882 2.353 1.00 42.34 C ATOM 791 C ALA A 57 0.643 -3.481 1.869 1.00 52.54 C ATOM 792 O ALA A 57 -0.361 -3.288 1.183 1.00 45.24 O ATOM 793 CB ALA A 57 -0.261 -5.706 2.567 1.00 43.12 C ATOM 0 H ALA A 57 2.733 -5.192 3.490 1.00 2.23 H new ATOM 0 HA ALA A 57 1.607 -5.360 1.584 1.00 42.34 H new ATOM 0 HB1 ALA A 57 -0.837 -5.737 1.642 1.00 43.12 H new ATOM 0 HB2 ALA A 57 0.012 -6.720 2.858 1.00 43.12 H new ATOM 0 HB3 ALA A 57 -0.863 -5.252 3.354 1.00 43.12 H new ATOM 799 N ALA A 58 1.470 -2.505 2.231 1.00 32.41 N ATOM 800 CA ALA A 58 1.241 -1.122 1.832 1.00 22.24 C ATOM 801 C ALA A 58 1.643 -0.896 0.379 1.00 63.11 C ATOM 802 O ALA A 58 0.836 -0.448 -0.436 1.00 11.41 O ATOM 803 CB ALA A 58 2.005 -0.176 2.747 1.00 65.23 C ATOM 0 H ALA A 58 2.305 -2.647 2.800 1.00 32.41 H new ATOM 0 HA ALA A 58 0.175 -0.915 1.922 1.00 22.24 H new ATOM 0 HB1 ALA A 58 1.825 0.854 2.438 1.00 65.23 H new ATOM 0 HB2 ALA A 58 1.666 -0.311 3.774 1.00 65.23 H new ATOM 0 HB3 ALA A 58 3.072 -0.392 2.685 1.00 65.23 H new