USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 ILE H2 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -147:sc= -0.115 (180deg=-0.619) USER MOD Single : A 2 TYR OH : rot 172:sc= -0.513 USER MOD Single : A 7 GLN : amide:sc= -0.41 K(o=-0.41,f=-2.4!) USER MOD Single : A 11 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.96) USER MOD Single : A 14 THR OG1 : rot -54:sc= 0.718 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -48:sc= 0.0155 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -53:sc= 0.949 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 2.297 -0.701 -1.375 1.00 43.03 N ATOM 2 CA ILE A 1 2.759 -0.707 -2.758 1.00 0.32 C ATOM 3 C ILE A 1 2.121 -1.845 -3.546 1.00 33.51 C ATOM 4 O ILE A 1 1.935 -1.747 -4.759 1.00 51.00 O ATOM 5 CB ILE A 1 4.291 -0.837 -2.839 1.00 25.11 C ATOM 6 CG1 ILE A 1 4.964 0.329 -2.112 1.00 14.41 C ATOM 7 CG2 ILE A 1 4.742 -0.894 -4.291 1.00 0.31 C ATOM 8 CD1 ILE A 1 4.714 1.672 -2.763 1.00 61.43 C ATOM 0 H1 ILE A 1 2.253 0.278 -1.028 1.00 43.03 H new ATOM 0 HA ILE A 1 2.460 0.246 -3.195 1.00 0.32 H new ATOM 0 HB ILE A 1 4.588 -1.765 -2.350 1.00 25.11 H new ATOM 0 HG12 ILE A 1 4.606 0.361 -1.083 1.00 14.41 H new ATOM 0 HG13 ILE A 1 6.038 0.149 -2.070 1.00 14.41 H new ATOM 0 HG21 ILE A 1 5.827 -0.986 -4.332 1.00 0.31 H new ATOM 0 HG22 ILE A 1 4.286 -1.755 -4.780 1.00 0.31 H new ATOM 0 HG23 ILE A 1 4.436 0.018 -4.803 1.00 0.31 H new ATOM 0 HD11 ILE A 1 5.221 2.452 -2.195 1.00 61.43 H new ATOM 0 HD12 ILE A 1 5.098 1.659 -3.783 1.00 61.43 H new ATOM 0 HD13 ILE A 1 3.643 1.874 -2.781 1.00 61.43 H new ATOM 20 N TYR A 2 1.785 -2.925 -2.848 1.00 44.12 N ATOM 21 CA TYR A 2 1.168 -4.083 -3.482 1.00 72.55 C ATOM 22 C TYR A 2 -0.328 -3.862 -3.682 1.00 74.31 C ATOM 23 O TYR A 2 -1.022 -4.707 -4.250 1.00 5.52 O ATOM 24 CB TYR A 2 1.401 -5.338 -2.639 1.00 1.12 C ATOM 25 CG TYR A 2 2.862 -5.690 -2.468 1.00 54.03 C ATOM 26 CD1 TYR A 2 3.655 -5.018 -1.547 1.00 4.11 C ATOM 27 CD2 TYR A 2 3.448 -6.694 -3.229 1.00 41.31 C ATOM 28 CE1 TYR A 2 4.990 -5.336 -1.388 1.00 45.50 C ATOM 29 CE2 TYR A 2 4.782 -7.019 -3.076 1.00 31.11 C ATOM 30 CZ TYR A 2 5.549 -6.337 -2.154 1.00 71.15 C ATOM 31 OH TYR A 2 6.878 -6.657 -2.000 1.00 23.30 O ATOM 0 H TYR A 2 1.930 -3.022 -1.843 1.00 44.12 H new ATOM 0 HA TYR A 2 1.631 -4.219 -4.459 1.00 72.55 H new ATOM 0 HB2 TYR A 2 0.953 -5.193 -1.656 1.00 1.12 H new ATOM 0 HB3 TYR A 2 0.885 -6.178 -3.104 1.00 1.12 H new ATOM 0 HD1 TYR A 2 3.221 -4.234 -0.945 1.00 4.11 H new ATOM 0 HD2 TYR A 2 2.851 -7.229 -3.952 1.00 41.31 H new ATOM 0 HE1 TYR A 2 5.593 -4.803 -0.667 1.00 45.50 H new ATOM 0 HE2 TYR A 2 5.222 -7.803 -3.675 1.00 31.11 H new ATOM 0 HH TYR A 2 7.083 -7.462 -2.520 1.00 23.30 H new ATOM 41 N TRP A 3 -0.819 -2.721 -3.212 1.00 24.11 N ATOM 42 CA TRP A 3 -2.233 -2.387 -3.339 1.00 23.12 C ATOM 43 C TRP A 3 -2.430 -1.202 -4.278 1.00 31.31 C ATOM 44 O TRP A 3 -3.359 -1.188 -5.087 1.00 4.14 O ATOM 45 CB TRP A 3 -2.828 -2.070 -1.966 1.00 32.41 C ATOM 46 CG TRP A 3 -4.303 -1.806 -2.005 1.00 30.43 C ATOM 47 CD1 TRP A 3 -5.303 -2.737 -1.988 1.00 2.42 C ATOM 48 CD2 TRP A 3 -4.943 -0.527 -2.069 1.00 33.50 C ATOM 49 NE1 TRP A 3 -6.526 -2.113 -2.038 1.00 11.14 N ATOM 50 CE2 TRP A 3 -6.333 -0.758 -2.087 1.00 41.31 C ATOM 51 CE3 TRP A 3 -4.478 0.790 -2.111 1.00 34.32 C ATOM 52 CZ2 TRP A 3 -7.258 0.281 -2.147 1.00 34.35 C ATOM 53 CZ3 TRP A 3 -5.398 1.819 -2.170 1.00 52.21 C ATOM 54 CH2 TRP A 3 -6.775 1.560 -2.187 1.00 13.43 C ATOM 0 H TRP A 3 -0.259 -2.011 -2.739 1.00 24.11 H new ATOM 0 HA TRP A 3 -2.749 -3.250 -3.760 1.00 23.12 H new ATOM 0 HB2 TRP A 3 -2.633 -2.904 -1.292 1.00 32.41 H new ATOM 0 HB3 TRP A 3 -2.321 -1.199 -1.550 1.00 32.41 H new ATOM 0 HD1 TRP A 3 -5.154 -3.806 -1.942 1.00 2.42 H new ATOM 0 HE1 TRP A 3 -7.431 -2.583 -2.039 1.00 11.14 H new ATOM 0 HE3 TRP A 3 -3.419 1.000 -2.098 1.00 34.32 H new ATOM 0 HZ2 TRP A 3 -8.320 0.084 -2.161 1.00 34.35 H new ATOM 0 HZ3 TRP A 3 -5.050 2.841 -2.204 1.00 52.21 H new ATOM 0 HH2 TRP A 3 -7.469 2.387 -2.233 1.00 13.43 H new ATOM 65 N ILE A 4 -1.552 -0.211 -4.166 1.00 32.33 N ATOM 66 CA ILE A 4 -1.631 0.977 -5.006 1.00 65.25 C ATOM 67 C ILE A 4 -1.371 0.633 -6.469 1.00 50.13 C ATOM 68 O ILE A 4 -2.011 1.178 -7.368 1.00 61.23 O ATOM 69 CB ILE A 4 -0.624 2.052 -4.557 1.00 64.00 C ATOM 70 CG1 ILE A 4 -1.011 2.602 -3.183 1.00 54.41 C ATOM 71 CG2 ILE A 4 -0.553 3.174 -5.582 1.00 74.45 C ATOM 72 CD1 ILE A 4 0.045 2.381 -2.123 1.00 41.03 C ATOM 0 H ILE A 4 -0.778 -0.207 -3.502 1.00 32.33 H new ATOM 0 HA ILE A 4 -2.642 1.371 -4.901 1.00 65.25 H new ATOM 0 HB ILE A 4 0.362 1.595 -4.480 1.00 64.00 H new ATOM 0 HG12 ILE A 4 -1.208 3.671 -3.271 1.00 54.41 H new ATOM 0 HG13 ILE A 4 -1.941 2.132 -2.861 1.00 54.41 H new ATOM 0 HG21 ILE A 4 0.163 3.926 -5.250 1.00 74.45 H new ATOM 0 HG22 ILE A 4 -0.235 2.769 -6.543 1.00 74.45 H new ATOM 0 HG23 ILE A 4 -1.536 3.632 -5.689 1.00 74.45 H new ATOM 0 HD11 ILE A 4 -0.298 2.797 -1.176 1.00 41.03 H new ATOM 0 HD12 ILE A 4 0.225 1.312 -2.006 1.00 41.03 H new ATOM 0 HD13 ILE A 4 0.970 2.875 -2.422 1.00 41.03 H new ATOM 84 N ALA A 5 -0.429 -0.276 -6.700 1.00 11.42 N ATOM 85 CA ALA A 5 -0.087 -0.695 -8.053 1.00 74.42 C ATOM 86 C ALA A 5 -1.284 -1.336 -8.748 1.00 13.01 C ATOM 87 O ALA A 5 -1.329 -1.422 -9.975 1.00 51.52 O ATOM 88 CB ALA A 5 1.088 -1.661 -8.025 1.00 41.04 C ATOM 0 H ALA A 5 0.111 -0.736 -5.967 1.00 11.42 H new ATOM 0 HA ALA A 5 0.198 0.191 -8.620 1.00 74.42 H new ATOM 0 HB1 ALA A 5 1.333 -1.966 -9.042 1.00 41.04 H new ATOM 0 HB2 ALA A 5 1.951 -1.171 -7.575 1.00 41.04 H new ATOM 0 HB3 ALA A 5 0.823 -2.540 -7.437 1.00 41.04 H new ATOM 94 N ASP A 6 -2.251 -1.785 -7.956 1.00 35.14 N ATOM 95 CA ASP A 6 -3.449 -2.418 -8.495 1.00 15.01 C ATOM 96 C ASP A 6 -4.507 -1.374 -8.840 1.00 61.13 C ATOM 97 O ASP A 6 -4.746 -1.085 -10.012 1.00 54.52 O ATOM 98 CB ASP A 6 -4.016 -3.424 -7.492 1.00 14.33 C ATOM 99 CG ASP A 6 -3.148 -4.659 -7.357 1.00 75.44 C ATOM 100 OD1 ASP A 6 -2.049 -4.679 -7.949 1.00 52.02 O ATOM 101 OD2 ASP A 6 -3.569 -5.607 -6.661 1.00 61.42 O ATOM 0 H ASP A 6 -2.229 -1.722 -6.938 1.00 35.14 H new ATOM 0 HA ASP A 6 -3.172 -2.944 -9.408 1.00 15.01 H new ATOM 0 HB2 ASP A 6 -4.115 -2.945 -6.518 1.00 14.33 H new ATOM 0 HB3 ASP A 6 -5.017 -3.720 -7.805 1.00 14.33 H new ATOM 106 N GLN A 7 -5.136 -0.814 -7.812 1.00 74.23 N ATOM 107 CA GLN A 7 -6.170 0.196 -8.008 1.00 45.01 C ATOM 108 C GLN A 7 -5.673 1.312 -8.922 1.00 14.04 C ATOM 109 O GLN A 7 -6.222 1.535 -10.001 1.00 70.31 O ATOM 110 CB GLN A 7 -6.605 0.778 -6.662 1.00 41.12 C ATOM 111 CG GLN A 7 -7.230 -0.247 -5.730 1.00 15.21 C ATOM 112 CD GLN A 7 -8.618 -0.667 -6.172 1.00 34.23 C ATOM 113 OE1 GLN A 7 -8.794 -1.236 -7.249 1.00 65.44 O ATOM 114 NE2 GLN A 7 -9.615 -0.388 -5.339 1.00 63.52 N ATOM 0 H GLN A 7 -4.948 -1.042 -6.836 1.00 74.23 H new ATOM 0 HA GLN A 7 -7.027 -0.283 -8.482 1.00 45.01 H new ATOM 0 HB2 GLN A 7 -5.739 1.223 -6.171 1.00 41.12 H new ATOM 0 HB3 GLN A 7 -7.320 1.582 -6.837 1.00 41.12 H new ATOM 0 HG2 GLN A 7 -6.587 -1.126 -5.679 1.00 15.21 H new ATOM 0 HG3 GLN A 7 -7.283 0.168 -4.723 1.00 15.21 H new ATOM 0 HE21 GLN A 7 -9.424 0.085 -4.456 1.00 63.52 H new ATOM 0 HE22 GLN A 7 -10.571 -0.647 -5.583 1.00 63.52 H new ATOM 123 N PHE A 8 -4.633 2.011 -8.482 1.00 4.44 N ATOM 124 CA PHE A 8 -4.063 3.106 -9.259 1.00 72.31 C ATOM 125 C PHE A 8 -3.189 2.572 -10.391 1.00 34.05 C ATOM 126 O PHE A 8 -3.481 2.783 -11.567 1.00 61.30 O ATOM 127 CB PHE A 8 -3.241 4.027 -8.356 1.00 1.31 C ATOM 128 CG PHE A 8 -4.003 4.536 -7.166 1.00 21.13 C ATOM 129 CD1 PHE A 8 -4.120 3.765 -6.020 1.00 70.04 C ATOM 130 CD2 PHE A 8 -4.603 5.785 -7.192 1.00 65.33 C ATOM 131 CE1 PHE A 8 -4.820 4.230 -4.923 1.00 52.11 C ATOM 132 CE2 PHE A 8 -5.304 6.255 -6.098 1.00 45.31 C ATOM 133 CZ PHE A 8 -5.414 5.477 -4.963 1.00 24.44 C ATOM 0 H PHE A 8 -4.167 1.839 -7.591 1.00 4.44 H new ATOM 0 HA PHE A 8 -4.884 3.675 -9.695 1.00 72.31 H new ATOM 0 HB2 PHE A 8 -2.358 3.489 -8.009 1.00 1.31 H new ATOM 0 HB3 PHE A 8 -2.888 4.876 -8.941 1.00 1.31 H new ATOM 0 HD1 PHE A 8 -3.659 2.789 -5.984 1.00 70.04 H new ATOM 0 HD2 PHE A 8 -4.522 6.398 -8.077 1.00 65.33 H new ATOM 0 HE1 PHE A 8 -4.903 3.620 -4.036 1.00 52.11 H new ATOM 0 HE2 PHE A 8 -5.766 7.231 -6.131 1.00 45.31 H new ATOM 0 HZ PHE A 8 -5.963 5.842 -4.108 1.00 24.44 H new ATOM 143 N GLY A 9 -2.115 1.879 -10.024 1.00 50.44 N ATOM 144 CA GLY A 9 -1.214 1.327 -11.019 1.00 74.40 C ATOM 145 C GLY A 9 -0.671 2.383 -11.960 1.00 4.41 C ATOM 146 O GLY A 9 -1.085 2.467 -13.116 1.00 73.44 O ATOM 0 H GLY A 9 -1.853 1.690 -9.056 1.00 50.44 H new ATOM 0 HA2 GLY A 9 -0.383 0.831 -10.517 1.00 74.40 H new ATOM 0 HA3 GLY A 9 -1.738 0.565 -11.596 1.00 74.40 H new ATOM 150 N ILE A 10 0.258 3.193 -11.464 1.00 4.42 N ATOM 151 CA ILE A 10 0.859 4.250 -12.269 1.00 14.15 C ATOM 152 C ILE A 10 1.687 3.669 -13.409 1.00 43.12 C ATOM 153 O ILE A 10 2.247 2.579 -13.291 1.00 65.22 O ATOM 154 CB ILE A 10 1.753 5.168 -11.415 1.00 42.51 C ATOM 155 CG1 ILE A 10 1.005 5.624 -10.161 1.00 35.22 C ATOM 156 CG2 ILE A 10 2.211 6.369 -12.230 1.00 73.34 C ATOM 157 CD1 ILE A 10 -0.290 6.347 -10.459 1.00 33.20 C ATOM 0 H ILE A 10 0.611 3.138 -10.509 1.00 4.42 H new ATOM 0 HA ILE A 10 0.039 4.837 -12.682 1.00 14.15 H new ATOM 0 HB ILE A 10 2.634 4.605 -11.105 1.00 42.51 H new ATOM 0 HG12 ILE A 10 0.792 4.755 -9.539 1.00 35.22 H new ATOM 0 HG13 ILE A 10 1.653 6.280 -9.580 1.00 35.22 H new ATOM 0 HG21 ILE A 10 2.842 7.008 -11.613 1.00 73.34 H new ATOM 0 HG22 ILE A 10 2.778 6.026 -13.096 1.00 73.34 H new ATOM 0 HG23 ILE A 10 1.341 6.933 -12.566 1.00 73.34 H new ATOM 0 HD11 ILE A 10 -0.766 6.641 -9.524 1.00 33.20 H new ATOM 0 HD12 ILE A 10 -0.082 7.235 -11.055 1.00 33.20 H new ATOM 0 HD13 ILE A 10 -0.956 5.686 -11.013 1.00 33.20 H new ATOM 169 N HIS A 11 1.763 4.405 -14.513 1.00 55.34 N ATOM 170 CA HIS A 11 2.525 3.964 -15.676 1.00 5.33 C ATOM 171 C HIS A 11 4.020 4.187 -15.461 1.00 74.41 C ATOM 172 O HIS A 11 4.667 4.904 -16.225 1.00 22.02 O ATOM 173 CB HIS A 11 2.062 4.708 -16.929 1.00 1.35 C ATOM 174 CG HIS A 11 2.039 6.197 -16.767 1.00 14.13 C ATOM 175 ND1 HIS A 11 0.928 6.889 -16.331 1.00 43.33 N ATOM 176 CD2 HIS A 11 2.999 7.126 -16.983 1.00 54.42 C ATOM 177 CE1 HIS A 11 1.206 8.180 -16.289 1.00 11.24 C ATOM 178 NE2 HIS A 11 2.456 8.351 -16.679 1.00 21.31 N ATOM 0 H HIS A 11 1.306 5.310 -14.627 1.00 55.34 H new ATOM 0 HA HIS A 11 2.349 2.897 -15.811 1.00 5.33 H new ATOM 0 HB2 HIS A 11 2.721 4.451 -17.758 1.00 1.35 H new ATOM 0 HB3 HIS A 11 1.063 4.364 -17.197 1.00 1.35 H new ATOM 0 HD2 HIS A 11 4.005 6.939 -17.330 1.00 54.42 H new ATOM 0 HE1 HIS A 11 0.526 8.963 -15.987 1.00 11.24 H new ATOM 0 HE2 HIS A 11 2.940 9.247 -16.744 1.00 21.31 H new ATOM 186 N LEU A 12 4.561 3.568 -14.418 1.00 32.05 N ATOM 187 CA LEU A 12 5.979 3.699 -14.102 1.00 30.44 C ATOM 188 C LEU A 12 6.731 2.413 -14.430 1.00 33.42 C ATOM 189 O LEU A 12 6.179 1.317 -14.332 1.00 54.23 O ATOM 190 CB LEU A 12 6.162 4.047 -12.623 1.00 44.05 C ATOM 191 CG LEU A 12 7.570 3.853 -12.058 1.00 12.41 C ATOM 192 CD1 LEU A 12 8.549 4.808 -12.724 1.00 14.25 C ATOM 193 CD2 LEU A 12 7.570 4.052 -10.549 1.00 43.22 C ATOM 0 H LEU A 12 4.039 2.970 -13.777 1.00 32.05 H new ATOM 0 HA LEU A 12 6.389 4.504 -14.712 1.00 30.44 H new ATOM 0 HB2 LEU A 12 5.873 5.088 -12.477 1.00 44.05 H new ATOM 0 HB3 LEU A 12 5.471 3.439 -12.039 1.00 44.05 H new ATOM 0 HG LEU A 12 7.889 2.833 -12.270 1.00 12.41 H new ATOM 0 HD11 LEU A 12 9.545 4.655 -12.309 1.00 14.25 H new ATOM 0 HD12 LEU A 12 8.570 4.618 -13.797 1.00 14.25 H new ATOM 0 HD13 LEU A 12 8.234 5.836 -12.544 1.00 14.25 H new ATOM 0 HD21 LEU A 12 8.580 3.910 -10.163 1.00 43.22 H new ATOM 0 HD22 LEU A 12 7.230 5.061 -10.315 1.00 43.22 H new ATOM 0 HD23 LEU A 12 6.900 3.327 -10.086 1.00 43.22 H new ATOM 205 N ALA A 13 7.994 2.554 -14.817 1.00 41.32 N ATOM 206 CA ALA A 13 8.823 1.404 -15.155 1.00 71.14 C ATOM 207 C ALA A 13 9.298 0.681 -13.899 1.00 40.44 C ATOM 208 O ALA A 13 10.495 0.629 -13.615 1.00 42.41 O ATOM 209 CB ALA A 13 10.013 1.840 -15.998 1.00 14.03 C ATOM 0 H ALA A 13 8.466 3.454 -14.904 1.00 41.32 H new ATOM 0 HA ALA A 13 8.217 0.708 -15.735 1.00 71.14 H new ATOM 0 HB1 ALA A 13 10.623 0.971 -16.243 1.00 14.03 H new ATOM 0 HB2 ALA A 13 9.657 2.304 -16.918 1.00 14.03 H new ATOM 0 HB3 ALA A 13 10.612 2.558 -15.438 1.00 14.03 H new ATOM 215 N THR A 14 8.352 0.125 -13.149 1.00 24.51 N ATOM 216 CA THR A 14 8.674 -0.593 -11.922 1.00 61.41 C ATOM 217 C THR A 14 8.831 -2.087 -12.184 1.00 55.01 C ATOM 218 O THR A 14 8.735 -2.901 -11.267 1.00 24.32 O ATOM 219 CB THR A 14 7.591 -0.383 -10.847 1.00 51.14 C ATOM 220 OG1 THR A 14 8.034 -0.916 -9.594 1.00 51.23 O ATOM 221 CG2 THR A 14 6.287 -1.051 -11.256 1.00 14.04 C ATOM 0 H THR A 14 7.357 0.158 -13.370 1.00 24.51 H new ATOM 0 HA THR A 14 9.619 -0.189 -11.559 1.00 61.41 H new ATOM 0 HB THR A 14 7.416 0.688 -10.743 1.00 51.14 H new ATOM 0 HG1 THR A 14 8.301 -1.851 -9.713 1.00 51.23 H new ATOM 0 HG21 THR A 14 5.537 -0.889 -10.482 1.00 14.04 H new ATOM 0 HG22 THR A 14 5.937 -0.622 -12.195 1.00 14.04 H new ATOM 0 HG23 THR A 14 6.451 -2.121 -11.385 1.00 14.04 H new ATOM 229 N GLY A 15 9.072 -2.440 -13.443 1.00 30.40 N ATOM 230 CA GLY A 15 9.238 -3.837 -13.803 1.00 4.54 C ATOM 231 C GLY A 15 10.501 -4.439 -13.219 1.00 32.13 C ATOM 232 O GLY A 15 10.558 -5.639 -12.947 1.00 52.02 O ATOM 0 H GLY A 15 9.155 -1.784 -14.220 1.00 30.40 H new ATOM 0 HA2 GLY A 15 8.374 -4.404 -13.455 1.00 4.54 H new ATOM 0 HA3 GLY A 15 9.264 -3.929 -14.889 1.00 4.54 H new ATOM 236 N THR A 16 11.518 -3.605 -13.026 1.00 24.52 N ATOM 237 CA THR A 16 12.787 -4.063 -12.473 1.00 60.04 C ATOM 238 C THR A 16 12.657 -4.380 -10.988 1.00 64.51 C ATOM 239 O THR A 16 13.138 -5.412 -10.520 1.00 73.31 O ATOM 240 CB THR A 16 13.896 -3.012 -12.667 1.00 51.41 C ATOM 241 OG1 THR A 16 13.953 -2.607 -14.040 1.00 22.24 O ATOM 242 CG2 THR A 16 15.247 -3.565 -12.239 1.00 51.25 C ATOM 0 H THR A 16 11.488 -2.609 -13.244 1.00 24.52 H new ATOM 0 HA THR A 16 13.058 -4.970 -13.013 1.00 60.04 H new ATOM 0 HB THR A 16 13.661 -2.149 -12.044 1.00 51.41 H new ATOM 0 HG1 THR A 16 14.659 -1.937 -14.155 1.00 22.24 H new ATOM 0 HG21 THR A 16 16.014 -2.805 -12.385 1.00 51.25 H new ATOM 0 HG22 THR A 16 15.209 -3.844 -11.186 1.00 51.25 H new ATOM 0 HG23 THR A 16 15.487 -4.443 -12.839 1.00 51.25 H new ATOM 250 N ALA A 17 12.005 -3.487 -10.252 1.00 32.34 N ATOM 251 CA ALA A 17 11.810 -3.674 -8.819 1.00 72.22 C ATOM 252 C ALA A 17 11.016 -4.945 -8.534 1.00 64.04 C ATOM 253 O ALA A 17 11.084 -5.497 -7.436 1.00 62.33 O ATOM 254 CB ALA A 17 11.107 -2.465 -8.220 1.00 75.31 C ATOM 0 H ALA A 17 11.603 -2.627 -10.624 1.00 32.34 H new ATOM 0 HA ALA A 17 12.791 -3.778 -8.354 1.00 72.22 H new ATOM 0 HB1 ALA A 17 10.968 -2.618 -7.150 1.00 75.31 H new ATOM 0 HB2 ALA A 17 11.713 -1.574 -8.383 1.00 75.31 H new ATOM 0 HB3 ALA A 17 10.136 -2.336 -8.697 1.00 75.31 H new ATOM 260 N ARG A 18 10.265 -5.403 -9.530 1.00 35.21 N ATOM 261 CA ARG A 18 9.457 -6.608 -9.385 1.00 74.11 C ATOM 262 C ARG A 18 10.301 -7.771 -8.872 1.00 3.41 C ATOM 263 O ARG A 18 9.903 -8.482 -7.949 1.00 42.02 O ATOM 264 CB ARG A 18 8.815 -6.981 -10.723 1.00 20.43 C ATOM 265 CG ARG A 18 7.350 -7.368 -10.608 1.00 75.14 C ATOM 266 CD ARG A 18 6.439 -6.169 -10.819 1.00 12.51 C ATOM 267 NE ARG A 18 6.336 -5.800 -12.228 1.00 61.04 N ATOM 268 CZ ARG A 18 5.693 -6.529 -13.134 1.00 20.14 C ATOM 269 NH1 ARG A 18 5.098 -7.660 -12.778 1.00 43.53 N ATOM 270 NH2 ARG A 18 5.643 -6.127 -14.397 1.00 65.43 N ATOM 0 H ARG A 18 10.199 -4.958 -10.446 1.00 35.21 H new ATOM 0 HA ARG A 18 8.672 -6.403 -8.657 1.00 74.11 H new ATOM 0 HB2 ARG A 18 8.907 -6.138 -11.408 1.00 20.43 H new ATOM 0 HB3 ARG A 18 9.368 -7.811 -11.163 1.00 20.43 H new ATOM 0 HG2 ARG A 18 7.117 -8.137 -11.344 1.00 75.14 H new ATOM 0 HG3 ARG A 18 7.163 -7.800 -9.625 1.00 75.14 H new ATOM 0 HD2 ARG A 18 5.446 -6.396 -10.430 1.00 12.51 H new ATOM 0 HD3 ARG A 18 6.819 -5.321 -10.249 1.00 12.51 H new ATOM 0 HE ARG A 18 6.782 -4.935 -12.534 1.00 61.04 H new ATOM 0 HH11 ARG A 18 5.134 -7.971 -11.807 1.00 43.53 H new ATOM 0 HH12 ARG A 18 4.605 -8.218 -13.475 1.00 43.53 H new ATOM 0 HH21 ARG A 18 6.098 -5.257 -14.674 1.00 65.43 H new ATOM 0 HH22 ARG A 18 5.149 -6.688 -15.091 1.00 65.43 H new ATOM 284 N LYS A 19 11.470 -7.958 -9.476 1.00 74.33 N ATOM 285 CA LYS A 19 12.372 -9.033 -9.081 1.00 70.33 C ATOM 286 C LYS A 19 12.795 -8.881 -7.624 1.00 35.04 C ATOM 287 O LYS A 19 13.133 -9.861 -6.959 1.00 61.30 O ATOM 288 CB LYS A 19 13.608 -9.046 -9.983 1.00 64.31 C ATOM 289 CG LYS A 19 13.282 -9.169 -11.461 1.00 52.34 C ATOM 290 CD LYS A 19 14.299 -8.436 -12.320 1.00 2.02 C ATOM 291 CE LYS A 19 14.405 -9.052 -13.707 1.00 12.44 C ATOM 292 NZ LYS A 19 15.297 -10.244 -13.718 1.00 12.03 N ATOM 0 H LYS A 19 11.815 -7.378 -10.241 1.00 74.33 H new ATOM 0 HA LYS A 19 11.840 -9.978 -9.190 1.00 70.33 H new ATOM 0 HB2 LYS A 19 14.176 -8.130 -9.820 1.00 64.31 H new ATOM 0 HB3 LYS A 19 14.251 -9.876 -9.691 1.00 64.31 H new ATOM 0 HG2 LYS A 19 13.258 -10.222 -11.743 1.00 52.34 H new ATOM 0 HG3 LYS A 19 12.287 -8.766 -11.650 1.00 52.34 H new ATOM 0 HD2 LYS A 19 14.015 -7.387 -12.407 1.00 2.02 H new ATOM 0 HD3 LYS A 19 15.274 -8.462 -11.834 1.00 2.02 H new ATOM 0 HE2 LYS A 19 13.412 -9.338 -14.054 1.00 12.44 H new ATOM 0 HE3 LYS A 19 14.785 -8.308 -14.407 1.00 12.44 H new ATOM 0 HZ1 LYS A 19 15.343 -10.635 -14.681 1.00 12.03 H new ATOM 0 HZ2 LYS A 19 16.251 -9.966 -13.411 1.00 12.03 H new ATOM 0 HZ3 LYS A 19 14.921 -10.965 -13.070 1.00 12.03 H new ATOM 306 N LEU A 20 12.771 -7.647 -7.132 1.00 23.34 N ATOM 307 CA LEU A 20 13.151 -7.367 -5.751 1.00 54.11 C ATOM 308 C LEU A 20 11.972 -7.583 -4.808 1.00 15.12 C ATOM 309 O LEU A 20 12.115 -8.192 -3.747 1.00 72.40 O ATOM 310 CB LEU A 20 13.664 -5.931 -5.624 1.00 72.50 C ATOM 311 CG LEU A 20 15.086 -5.680 -6.127 1.00 31.24 C ATOM 312 CD1 LEU A 20 15.346 -4.189 -6.268 1.00 41.54 C ATOM 313 CD2 LEU A 20 16.103 -6.314 -5.189 1.00 32.14 C ATOM 0 H LEU A 20 12.493 -6.825 -7.668 1.00 23.34 H new ATOM 0 HA LEU A 20 13.947 -8.057 -5.472 1.00 54.11 H new ATOM 0 HB2 LEU A 20 12.986 -5.275 -6.169 1.00 72.50 H new ATOM 0 HB3 LEU A 20 13.614 -5.640 -4.575 1.00 72.50 H new ATOM 0 HG LEU A 20 15.190 -6.141 -7.109 1.00 31.24 H new ATOM 0 HD11 LEU A 20 16.363 -4.029 -6.627 1.00 41.54 H new ATOM 0 HD12 LEU A 20 14.639 -3.762 -6.979 1.00 41.54 H new ATOM 0 HD13 LEU A 20 15.223 -3.705 -5.299 1.00 41.54 H new ATOM 0 HD21 LEU A 20 17.110 -6.125 -5.562 1.00 32.14 H new ATOM 0 HD22 LEU A 20 15.999 -5.882 -4.194 1.00 32.14 H new ATOM 0 HD23 LEU A 20 15.930 -7.389 -5.138 1.00 32.14 H new ATOM 325 N LEU A 21 10.806 -7.081 -5.202 1.00 21.53 N ATOM 326 CA LEU A 21 9.600 -7.221 -4.392 1.00 64.45 C ATOM 327 C LEU A 21 9.267 -8.692 -4.162 1.00 11.22 C ATOM 328 O LEU A 21 8.533 -9.034 -3.235 1.00 31.14 O ATOM 329 CB LEU A 21 8.423 -6.520 -5.071 1.00 74.03 C ATOM 330 CG LEU A 21 8.437 -4.992 -5.030 1.00 44.54 C ATOM 331 CD1 LEU A 21 7.497 -4.420 -6.080 1.00 64.35 C ATOM 332 CD2 LEU A 21 8.058 -4.491 -3.644 1.00 25.50 C ATOM 0 H LEU A 21 10.670 -6.574 -6.077 1.00 21.53 H new ATOM 0 HA LEU A 21 9.784 -6.754 -3.425 1.00 64.45 H new ATOM 0 HB2 LEU A 21 8.391 -6.835 -6.114 1.00 74.03 H new ATOM 0 HB3 LEU A 21 7.501 -6.867 -4.605 1.00 74.03 H new ATOM 0 HG LEU A 21 9.448 -4.652 -5.253 1.00 44.54 H new ATOM 0 HD11 LEU A 21 7.521 -3.331 -6.035 1.00 64.35 H new ATOM 0 HD12 LEU A 21 7.813 -4.749 -7.070 1.00 64.35 H new ATOM 0 HD13 LEU A 21 6.482 -4.769 -5.889 1.00 64.35 H new ATOM 0 HD21 LEU A 21 8.073 -3.401 -3.634 1.00 25.50 H new ATOM 0 HD22 LEU A 21 7.057 -4.842 -3.391 1.00 25.50 H new ATOM 0 HD23 LEU A 21 8.771 -4.871 -2.912 1.00 25.50 H new ATOM 344 N ASP A 22 9.813 -9.557 -5.010 1.00 14.34 N ATOM 345 CA ASP A 22 9.576 -10.991 -4.896 1.00 71.34 C ATOM 346 C ASP A 22 10.592 -11.637 -3.960 1.00 21.41 C ATOM 347 O ASP A 22 10.648 -12.861 -3.837 1.00 51.45 O ATOM 348 CB ASP A 22 9.642 -11.651 -6.275 1.00 24.03 C ATOM 349 CG ASP A 22 8.803 -12.911 -6.355 1.00 14.33 C ATOM 350 OD1 ASP A 22 7.563 -12.806 -6.242 1.00 50.15 O ATOM 351 OD2 ASP A 22 9.385 -14.001 -6.530 1.00 73.23 O ATOM 0 H ASP A 22 10.422 -9.290 -5.783 1.00 14.34 H new ATOM 0 HA ASP A 22 8.580 -11.138 -4.478 1.00 71.34 H new ATOM 0 HB2 ASP A 22 9.301 -10.943 -7.030 1.00 24.03 H new ATOM 0 HB3 ASP A 22 10.679 -11.893 -6.509 1.00 24.03 H new ATOM 356 N ALA A 23 11.394 -10.807 -3.302 1.00 65.00 N ATOM 357 CA ALA A 23 12.408 -11.297 -2.376 1.00 71.31 C ATOM 358 C ALA A 23 12.392 -10.503 -1.074 1.00 62.33 C ATOM 359 O ALA A 23 12.413 -11.077 0.015 1.00 43.12 O ATOM 360 CB ALA A 23 13.785 -11.233 -3.019 1.00 64.21 C ATOM 0 H ALA A 23 11.361 -9.792 -3.393 1.00 65.00 H new ATOM 0 HA ALA A 23 12.178 -12.336 -2.140 1.00 71.31 H new ATOM 0 HB1 ALA A 23 14.532 -11.602 -2.316 1.00 64.21 H new ATOM 0 HB2 ALA A 23 13.796 -11.850 -3.917 1.00 64.21 H new ATOM 0 HB3 ALA A 23 14.015 -10.201 -3.285 1.00 64.21 H new ATOM 366 N VAL A 24 12.356 -9.180 -1.194 1.00 11.10 N ATOM 367 CA VAL A 24 12.337 -8.307 -0.026 1.00 40.14 C ATOM 368 C VAL A 24 11.110 -8.573 0.839 1.00 42.43 C ATOM 369 O VAL A 24 11.161 -8.444 2.061 1.00 14.25 O ATOM 370 CB VAL A 24 12.351 -6.822 -0.435 1.00 64.15 C ATOM 371 CG1 VAL A 24 13.593 -6.506 -1.255 1.00 51.14 C ATOM 372 CG2 VAL A 24 11.089 -6.470 -1.207 1.00 73.45 C ATOM 0 H VAL A 24 12.339 -8.689 -2.088 1.00 11.10 H new ATOM 0 HA VAL A 24 13.237 -8.527 0.548 1.00 40.14 H new ATOM 0 HB VAL A 24 12.377 -6.214 0.469 1.00 64.15 H new ATOM 0 HG11 VAL A 24 13.586 -5.453 -1.535 1.00 51.14 H new ATOM 0 HG12 VAL A 24 14.483 -6.718 -0.663 1.00 51.14 H new ATOM 0 HG13 VAL A 24 13.601 -7.121 -2.155 1.00 51.14 H new ATOM 0 HG21 VAL A 24 11.116 -5.417 -1.488 1.00 73.45 H new ATOM 0 HG22 VAL A 24 11.029 -7.084 -2.106 1.00 73.45 H new ATOM 0 HG23 VAL A 24 10.216 -6.656 -0.582 1.00 73.45 H new ATOM 382 N ALA A 25 10.009 -8.945 0.195 1.00 15.31 N ATOM 383 CA ALA A 25 8.769 -9.231 0.906 1.00 74.42 C ATOM 384 C ALA A 25 8.949 -10.392 1.879 1.00 41.33 C ATOM 385 O ALA A 25 8.175 -10.548 2.823 1.00 22.51 O ATOM 386 CB ALA A 25 7.653 -9.537 -0.082 1.00 74.21 C ATOM 0 H ALA A 25 9.950 -9.055 -0.817 1.00 15.31 H new ATOM 0 HA ALA A 25 8.497 -8.347 1.482 1.00 74.42 H new ATOM 0 HB1 ALA A 25 6.733 -9.749 0.463 1.00 74.21 H new ATOM 0 HB2 ALA A 25 7.499 -8.678 -0.734 1.00 74.21 H new ATOM 0 HB3 ALA A 25 7.927 -10.404 -0.683 1.00 74.21 H new ATOM 392 N SER A 26 9.975 -11.203 1.641 1.00 0.24 N ATOM 393 CA SER A 26 10.254 -12.352 2.495 1.00 42.05 C ATOM 394 C SER A 26 11.509 -12.117 3.329 1.00 3.44 C ATOM 395 O SER A 26 11.978 -13.011 4.032 1.00 70.21 O ATOM 396 CB SER A 26 10.421 -13.615 1.647 1.00 41.41 C ATOM 397 OG SER A 26 10.134 -14.778 2.403 1.00 23.22 O ATOM 0 H SER A 26 10.626 -11.086 0.865 1.00 0.24 H new ATOM 0 HA SER A 26 9.409 -12.485 3.171 1.00 42.05 H new ATOM 0 HB2 SER A 26 9.759 -13.567 0.783 1.00 41.41 H new ATOM 0 HB3 SER A 26 11.440 -13.668 1.265 1.00 41.41 H new ATOM 0 HG SER A 26 10.612 -14.739 3.258 1.00 23.22 H new ATOM 403 N GLY A 27 12.049 -10.904 3.246 1.00 21.34 N ATOM 404 CA GLY A 27 13.245 -10.572 3.998 1.00 11.44 C ATOM 405 C GLY A 27 13.342 -9.091 4.308 1.00 42.15 C ATOM 406 O GLY A 27 13.139 -8.673 5.447 1.00 22.32 O ATOM 0 H GLY A 27 11.680 -10.146 2.672 1.00 21.34 H new ATOM 0 HA2 GLY A 27 13.253 -11.137 4.930 1.00 11.44 H new ATOM 0 HA3 GLY A 27 14.124 -10.880 3.432 1.00 11.44 H new ATOM 410 N ALA A 28 13.655 -8.295 3.290 1.00 2.14 N ATOM 411 CA ALA A 28 13.779 -6.852 3.459 1.00 32.41 C ATOM 412 C ALA A 28 14.883 -6.509 4.453 1.00 44.54 C ATOM 413 O ALA A 28 14.623 -5.937 5.511 1.00 4.13 O ATOM 414 CB ALA A 28 12.454 -6.259 3.914 1.00 53.21 C ATOM 0 H ALA A 28 13.827 -8.625 2.340 1.00 2.14 H new ATOM 0 HA ALA A 28 14.047 -6.419 2.495 1.00 32.41 H new ATOM 0 HB1 ALA A 28 12.561 -5.181 4.036 1.00 53.21 H new ATOM 0 HB2 ALA A 28 11.687 -6.465 3.167 1.00 53.21 H new ATOM 0 HB3 ALA A 28 12.163 -6.705 4.865 1.00 53.21 H new ATOM 420 N SER A 29 16.117 -6.861 4.105 1.00 72.24 N ATOM 421 CA SER A 29 17.261 -6.594 4.968 1.00 12.24 C ATOM 422 C SER A 29 18.159 -5.519 4.363 1.00 12.14 C ATOM 423 O SER A 29 18.749 -4.710 5.081 1.00 52.01 O ATOM 424 CB SER A 29 18.064 -7.875 5.198 1.00 70.50 C ATOM 425 OG SER A 29 19.184 -7.633 6.032 1.00 71.02 O ATOM 0 H SER A 29 16.350 -7.332 3.231 1.00 72.24 H new ATOM 0 HA SER A 29 16.885 -6.233 5.925 1.00 12.24 H new ATOM 0 HB2 SER A 29 17.425 -8.632 5.653 1.00 70.50 H new ATOM 0 HB3 SER A 29 18.399 -8.274 4.241 1.00 70.50 H new ATOM 0 HG SER A 29 19.680 -8.468 6.165 1.00 71.02 H new ATOM 431 N LEU A 30 18.258 -5.517 3.039 1.00 53.43 N ATOM 432 CA LEU A 30 19.084 -4.542 2.335 1.00 55.52 C ATOM 433 C LEU A 30 18.743 -3.121 2.774 1.00 74.12 C ATOM 434 O LEU A 30 17.586 -2.807 3.051 1.00 0.04 O ATOM 435 CB LEU A 30 18.894 -4.680 0.823 1.00 11.32 C ATOM 436 CG LEU A 30 20.100 -5.201 0.040 1.00 14.33 C ATOM 437 CD1 LEU A 30 21.334 -4.365 0.342 1.00 12.13 C ATOM 438 CD2 LEU A 30 20.353 -6.666 0.364 1.00 2.22 C ATOM 0 H LEU A 30 17.777 -6.179 2.431 1.00 53.43 H new ATOM 0 HA LEU A 30 20.127 -4.739 2.584 1.00 55.52 H new ATOM 0 HB2 LEU A 30 18.052 -5.349 0.642 1.00 11.32 H new ATOM 0 HB3 LEU A 30 18.619 -3.705 0.421 1.00 11.32 H new ATOM 0 HG LEU A 30 19.882 -5.117 -1.025 1.00 14.33 H new ATOM 0 HD11 LEU A 30 22.182 -4.750 -0.224 1.00 12.13 H new ATOM 0 HD12 LEU A 30 21.150 -3.329 0.059 1.00 12.13 H new ATOM 0 HD13 LEU A 30 21.556 -4.416 1.408 1.00 12.13 H new ATOM 0 HD21 LEU A 30 21.215 -7.020 -0.202 1.00 2.22 H new ATOM 0 HD22 LEU A 30 20.550 -6.774 1.431 1.00 2.22 H new ATOM 0 HD23 LEU A 30 19.476 -7.255 0.096 1.00 2.22 H new ATOM 450 N GLY A 31 19.758 -2.265 2.832 1.00 25.13 N ATOM 451 CA GLY A 31 19.545 -0.888 3.236 1.00 5.40 C ATOM 452 C GLY A 31 19.956 0.101 2.163 1.00 42.20 C ATOM 453 O GLY A 31 19.484 1.238 2.141 1.00 11.44 O ATOM 0 H GLY A 31 20.724 -2.501 2.606 1.00 25.13 H new ATOM 0 HA2 GLY A 31 18.492 -0.742 3.476 1.00 5.40 H new ATOM 0 HA3 GLY A 31 20.110 -0.688 4.146 1.00 5.40 H new ATOM 457 N THR A 32 20.841 -0.331 1.269 1.00 15.03 N ATOM 458 CA THR A 32 21.317 0.525 0.190 1.00 23.22 C ATOM 459 C THR A 32 20.633 0.181 -1.128 1.00 15.14 C ATOM 460 O THR A 32 20.294 1.067 -1.912 1.00 2.13 O ATOM 461 CB THR A 32 22.842 0.405 0.010 1.00 63.41 C ATOM 462 OG1 THR A 32 23.472 0.209 1.281 1.00 1.20 O ATOM 463 CG2 THR A 32 23.408 1.650 -0.656 1.00 63.41 C ATOM 0 H THR A 32 21.242 -1.269 1.272 1.00 15.03 H new ATOM 0 HA THR A 32 21.070 1.550 0.467 1.00 23.22 H new ATOM 0 HB THR A 32 23.043 -0.454 -0.631 1.00 63.41 H new ATOM 0 HG1 THR A 32 24.441 0.132 1.157 1.00 1.20 H new ATOM 0 HG21 THR A 32 24.486 1.542 -0.772 1.00 63.41 H new ATOM 0 HG22 THR A 32 22.948 1.779 -1.636 1.00 63.41 H new ATOM 0 HG23 THR A 32 23.195 2.522 -0.038 1.00 63.41 H new ATOM 471 N ALA A 33 20.431 -1.111 -1.365 1.00 14.12 N ATOM 472 CA ALA A 33 19.783 -1.571 -2.587 1.00 63.10 C ATOM 473 C ALA A 33 18.292 -1.255 -2.571 1.00 13.22 C ATOM 474 O ALA A 33 17.671 -1.087 -3.621 1.00 0.12 O ATOM 475 CB ALA A 33 20.006 -3.065 -2.772 1.00 1.11 C ATOM 0 H ALA A 33 20.707 -1.857 -0.727 1.00 14.12 H new ATOM 0 HA ALA A 33 20.230 -1.041 -3.428 1.00 63.10 H new ATOM 0 HB1 ALA A 33 19.517 -3.395 -3.688 1.00 1.11 H new ATOM 0 HB2 ALA A 33 21.075 -3.268 -2.838 1.00 1.11 H new ATOM 0 HB3 ALA A 33 19.586 -3.603 -1.922 1.00 1.11 H new ATOM 481 N PHE A 34 17.721 -1.176 -1.373 1.00 43.52 N ATOM 482 CA PHE A 34 16.301 -0.881 -1.221 1.00 3.04 C ATOM 483 C PHE A 34 16.043 0.619 -1.324 1.00 11.44 C ATOM 484 O PHE A 34 14.978 1.048 -1.768 1.00 63.41 O ATOM 485 CB PHE A 34 15.791 -1.407 0.123 1.00 41.24 C ATOM 486 CG PHE A 34 14.352 -1.836 0.091 1.00 61.01 C ATOM 487 CD1 PHE A 34 13.916 -2.774 -0.830 1.00 74.44 C ATOM 488 CD2 PHE A 34 13.436 -1.302 0.983 1.00 41.35 C ATOM 489 CE1 PHE A 34 12.592 -3.170 -0.862 1.00 71.42 C ATOM 490 CE2 PHE A 34 12.111 -1.694 0.956 1.00 61.22 C ATOM 491 CZ PHE A 34 11.689 -2.631 0.033 1.00 52.33 C ATOM 0 H PHE A 34 18.220 -1.312 -0.494 1.00 43.52 H new ATOM 0 HA PHE A 34 15.763 -1.380 -2.027 1.00 3.04 H new ATOM 0 HB2 PHE A 34 16.407 -2.252 0.431 1.00 41.24 H new ATOM 0 HB3 PHE A 34 15.914 -0.631 0.878 1.00 41.24 H new ATOM 0 HD1 PHE A 34 14.618 -3.201 -1.531 1.00 74.44 H new ATOM 0 HD2 PHE A 34 13.761 -0.571 1.708 1.00 41.35 H new ATOM 0 HE1 PHE A 34 12.264 -3.901 -1.587 1.00 71.42 H new ATOM 0 HE2 PHE A 34 11.407 -1.268 1.655 1.00 61.22 H new ATOM 0 HZ PHE A 34 10.655 -2.941 0.011 1.00 52.33 H new ATOM 501 N ALA A 35 17.025 1.413 -0.909 1.00 21.33 N ATOM 502 CA ALA A 35 16.906 2.865 -0.955 1.00 73.41 C ATOM 503 C ALA A 35 17.148 3.391 -2.366 1.00 31.52 C ATOM 504 O ALA A 35 16.680 4.470 -2.725 1.00 14.53 O ATOM 505 CB ALA A 35 17.878 3.506 0.024 1.00 64.24 C ATOM 0 H ALA A 35 17.912 1.074 -0.537 1.00 21.33 H new ATOM 0 HA ALA A 35 15.889 3.131 -0.666 1.00 73.41 H new ATOM 0 HB1 ALA A 35 17.778 4.590 -0.021 1.00 64.24 H new ATOM 0 HB2 ALA A 35 17.656 3.163 1.034 1.00 64.24 H new ATOM 0 HB3 ALA A 35 18.898 3.224 -0.239 1.00 64.24 H new ATOM 511 N ALA A 36 17.883 2.620 -3.161 1.00 51.43 N ATOM 512 CA ALA A 36 18.186 3.009 -4.533 1.00 60.42 C ATOM 513 C ALA A 36 17.018 2.697 -5.463 1.00 11.43 C ATOM 514 O ALA A 36 16.953 3.203 -6.584 1.00 12.04 O ATOM 515 CB ALA A 36 19.447 2.306 -5.014 1.00 42.21 C ATOM 0 H ALA A 36 18.279 1.723 -2.879 1.00 51.43 H new ATOM 0 HA ALA A 36 18.353 4.086 -4.551 1.00 60.42 H new ATOM 0 HB1 ALA A 36 19.662 2.605 -6.040 1.00 42.21 H new ATOM 0 HB2 ALA A 36 20.284 2.582 -4.373 1.00 42.21 H new ATOM 0 HB3 ALA A 36 19.300 1.227 -4.974 1.00 42.21 H new ATOM 521 N ILE A 37 16.098 1.863 -4.990 1.00 63.45 N ATOM 522 CA ILE A 37 14.933 1.485 -5.780 1.00 33.11 C ATOM 523 C ILE A 37 13.692 2.246 -5.326 1.00 75.04 C ATOM 524 O ILE A 37 12.761 2.458 -6.105 1.00 34.23 O ATOM 525 CB ILE A 37 14.656 -0.027 -5.688 1.00 21.34 C ATOM 526 CG1 ILE A 37 14.492 -0.450 -4.226 1.00 42.41 C ATOM 527 CG2 ILE A 37 15.779 -0.812 -6.349 1.00 20.52 C ATOM 528 CD1 ILE A 37 13.941 -1.848 -4.059 1.00 73.35 C ATOM 0 H ILE A 37 16.137 1.437 -4.064 1.00 63.45 H new ATOM 0 HA ILE A 37 15.157 1.742 -6.815 1.00 33.11 H new ATOM 0 HB ILE A 37 13.727 -0.244 -6.216 1.00 21.34 H new ATOM 0 HG12 ILE A 37 15.459 -0.388 -3.728 1.00 42.41 H new ATOM 0 HG13 ILE A 37 13.829 0.255 -3.725 1.00 42.41 H new ATOM 0 HG21 ILE A 37 15.569 -1.879 -6.276 1.00 20.52 H new ATOM 0 HG22 ILE A 37 15.853 -0.528 -7.399 1.00 20.52 H new ATOM 0 HG23 ILE A 37 16.721 -0.592 -5.847 1.00 20.52 H new ATOM 0 HD11 ILE A 37 13.852 -2.080 -2.998 1.00 73.35 H new ATOM 0 HD12 ILE A 37 12.959 -1.910 -4.528 1.00 73.35 H new ATOM 0 HD13 ILE A 37 14.615 -2.563 -4.531 1.00 73.35 H new ATOM 540 N LEU A 38 13.685 2.657 -4.063 1.00 61.31 N ATOM 541 CA LEU A 38 12.559 3.397 -3.505 1.00 33.00 C ATOM 542 C LEU A 38 12.819 4.899 -3.548 1.00 5.20 C ATOM 543 O LEU A 38 12.147 5.676 -2.872 1.00 32.05 O ATOM 544 CB LEU A 38 12.296 2.954 -2.065 1.00 13.55 C ATOM 545 CG LEU A 38 11.194 1.912 -1.873 1.00 72.43 C ATOM 546 CD1 LEU A 38 11.693 0.529 -2.264 1.00 44.41 C ATOM 547 CD2 LEU A 38 10.700 1.915 -0.434 1.00 3.12 C ATOM 0 H LEU A 38 14.447 2.490 -3.406 1.00 61.31 H new ATOM 0 HA LEU A 38 11.679 3.182 -4.111 1.00 33.00 H new ATOM 0 HB2 LEU A 38 13.223 2.553 -1.655 1.00 13.55 H new ATOM 0 HB3 LEU A 38 12.042 3.835 -1.476 1.00 13.55 H new ATOM 0 HG LEU A 38 10.358 2.172 -2.523 1.00 72.43 H new ATOM 0 HD11 LEU A 38 10.895 -0.200 -2.121 1.00 44.41 H new ATOM 0 HD12 LEU A 38 11.996 0.534 -3.311 1.00 44.41 H new ATOM 0 HD13 LEU A 38 12.546 0.260 -1.641 1.00 44.41 H new ATOM 0 HD21 LEU A 38 9.916 1.167 -0.317 1.00 3.12 H new ATOM 0 HD22 LEU A 38 11.528 1.681 0.235 1.00 3.12 H new ATOM 0 HD23 LEU A 38 10.302 2.899 -0.188 1.00 3.12 H new ATOM 559 N GLY A 39 13.800 5.302 -4.350 1.00 63.14 N ATOM 560 CA GLY A 39 14.131 6.710 -4.469 1.00 22.14 C ATOM 561 C GLY A 39 13.727 7.290 -5.810 1.00 20.15 C ATOM 562 O GLY A 39 13.707 8.508 -5.987 1.00 23.02 O ATOM 0 H GLY A 39 14.372 4.678 -4.920 1.00 63.14 H new ATOM 0 HA2 GLY A 39 13.635 7.265 -3.673 1.00 22.14 H new ATOM 0 HA3 GLY A 39 15.204 6.841 -4.329 1.00 22.14 H new ATOM 566 N VAL A 40 13.405 6.416 -6.758 1.00 30.22 N ATOM 567 CA VAL A 40 13.000 6.848 -8.090 1.00 70.21 C ATOM 568 C VAL A 40 11.577 7.395 -8.082 1.00 1.25 C ATOM 569 O VAL A 40 11.241 8.295 -8.852 1.00 52.02 O ATOM 570 CB VAL A 40 13.088 5.693 -9.106 1.00 11.05 C ATOM 571 CG1 VAL A 40 12.296 4.490 -8.616 1.00 40.12 C ATOM 572 CG2 VAL A 40 12.595 6.146 -10.471 1.00 50.44 C ATOM 0 H VAL A 40 13.417 5.404 -6.628 1.00 30.22 H new ATOM 0 HA VAL A 40 13.688 7.639 -8.389 1.00 70.21 H new ATOM 0 HB VAL A 40 14.132 5.396 -9.203 1.00 11.05 H new ATOM 0 HG11 VAL A 40 12.369 3.684 -9.346 1.00 40.12 H new ATOM 0 HG12 VAL A 40 12.700 4.153 -7.661 1.00 40.12 H new ATOM 0 HG13 VAL A 40 11.250 4.770 -8.489 1.00 40.12 H new ATOM 0 HG21 VAL A 40 12.664 5.318 -11.176 1.00 50.44 H new ATOM 0 HG22 VAL A 40 11.557 6.471 -10.394 1.00 50.44 H new ATOM 0 HG23 VAL A 40 13.209 6.975 -10.823 1.00 50.44 H new ATOM 582 N THR A 41 10.743 6.846 -7.204 1.00 10.44 N ATOM 583 CA THR A 41 9.355 7.279 -7.094 1.00 65.33 C ATOM 584 C THR A 41 8.928 7.390 -5.635 1.00 74.24 C ATOM 585 O THR A 41 8.230 8.330 -5.252 1.00 61.02 O ATOM 586 CB THR A 41 8.406 6.310 -7.824 1.00 20.54 C ATOM 587 OG1 THR A 41 7.045 6.639 -7.524 1.00 40.13 O ATOM 588 CG2 THR A 41 8.686 4.870 -7.418 1.00 14.31 C ATOM 0 H THR A 41 11.005 6.101 -6.559 1.00 10.44 H new ATOM 0 HA THR A 41 9.291 8.261 -7.563 1.00 65.33 H new ATOM 0 HB THR A 41 8.576 6.408 -8.896 1.00 20.54 H new ATOM 0 HG1 THR A 41 6.448 6.020 -7.993 1.00 40.13 H new ATOM 0 HG21 THR A 41 8.004 4.204 -7.946 1.00 14.31 H new ATOM 0 HG22 THR A 41 9.714 4.613 -7.673 1.00 14.31 H new ATOM 0 HG23 THR A 41 8.541 4.760 -6.343 1.00 14.31 H new ATOM 596 N LEU A 42 9.350 6.426 -4.825 1.00 74.50 N ATOM 597 CA LEU A 42 9.010 6.415 -3.406 1.00 44.52 C ATOM 598 C LEU A 42 9.822 7.459 -2.645 1.00 32.11 C ATOM 599 O LEU A 42 10.866 7.924 -3.103 1.00 12.15 O ATOM 600 CB LEU A 42 9.258 5.028 -2.812 1.00 73.33 C ATOM 601 CG LEU A 42 8.093 4.042 -2.903 1.00 34.44 C ATOM 602 CD1 LEU A 42 8.224 3.173 -4.144 1.00 33.43 C ATOM 603 CD2 LEU A 42 8.025 3.180 -1.650 1.00 63.54 C ATOM 0 H LEU A 42 9.928 5.642 -5.126 1.00 74.50 H new ATOM 0 HA LEU A 42 7.952 6.661 -3.309 1.00 44.52 H new ATOM 0 HB2 LEU A 42 10.120 4.588 -3.314 1.00 73.33 H new ATOM 0 HB3 LEU A 42 9.526 5.147 -1.762 1.00 73.33 H new ATOM 0 HG LEU A 42 7.166 4.610 -2.980 1.00 34.44 H new ATOM 0 HD11 LEU A 42 7.386 2.478 -4.191 1.00 33.43 H new ATOM 0 HD12 LEU A 42 8.222 3.805 -5.032 1.00 33.43 H new ATOM 0 HD13 LEU A 42 9.158 2.613 -4.099 1.00 33.43 H new ATOM 0 HD21 LEU A 42 7.190 2.484 -1.732 1.00 63.54 H new ATOM 0 HD22 LEU A 42 8.954 2.621 -1.542 1.00 63.54 H new ATOM 0 HD23 LEU A 42 7.882 3.817 -0.777 1.00 63.54 H new ATOM 615 N PRO A 43 9.333 7.835 -1.454 1.00 24.14 N ATOM 616 CA PRO A 43 9.999 8.825 -0.602 1.00 40.21 C ATOM 617 C PRO A 43 11.303 8.299 -0.011 1.00 53.25 C ATOM 618 O PRO A 43 11.781 7.231 -0.391 1.00 74.34 O ATOM 619 CB PRO A 43 8.976 9.085 0.507 1.00 70.44 C ATOM 620 CG PRO A 43 8.156 7.842 0.564 1.00 51.25 C ATOM 621 CD PRO A 43 8.094 7.322 -0.846 1.00 21.10 C ATOM 0 HA PRO A 43 10.280 9.718 -1.160 1.00 40.21 H new ATOM 0 HB2 PRO A 43 9.467 9.280 1.461 1.00 70.44 H new ATOM 0 HB3 PRO A 43 8.360 9.956 0.282 1.00 70.44 H new ATOM 0 HG2 PRO A 43 8.607 7.107 1.231 1.00 51.25 H new ATOM 0 HG3 PRO A 43 7.157 8.051 0.947 1.00 51.25 H new ATOM 0 HD2 PRO A 43 8.055 6.233 -0.871 1.00 21.10 H new ATOM 0 HD3 PRO A 43 7.209 7.685 -1.369 1.00 21.10 H new ATOM 629 N ALA A 44 11.873 9.056 0.920 1.00 41.51 N ATOM 630 CA ALA A 44 13.120 8.665 1.565 1.00 63.24 C ATOM 631 C ALA A 44 12.868 8.132 2.971 1.00 74.32 C ATOM 632 O ALA A 44 13.625 7.303 3.476 1.00 73.34 O ATOM 633 CB ALA A 44 14.084 9.842 1.610 1.00 75.35 C ATOM 0 H ALA A 44 11.491 9.944 1.245 1.00 41.51 H new ATOM 0 HA ALA A 44 13.568 7.865 0.976 1.00 63.24 H new ATOM 0 HB1 ALA A 44 15.011 9.535 2.094 1.00 75.35 H new ATOM 0 HB2 ALA A 44 14.299 10.176 0.595 1.00 75.35 H new ATOM 0 HB3 ALA A 44 13.634 10.660 2.173 1.00 75.35 H new ATOM 639 N TRP A 45 11.800 8.613 3.598 1.00 63.24 N ATOM 640 CA TRP A 45 11.449 8.184 4.947 1.00 52.52 C ATOM 641 C TRP A 45 10.965 6.739 4.950 1.00 21.52 C ATOM 642 O TRP A 45 11.197 5.999 5.906 1.00 1.22 O ATOM 643 CB TRP A 45 10.369 9.098 5.529 1.00 72.10 C ATOM 644 CG TRP A 45 9.056 8.997 4.813 1.00 61.13 C ATOM 645 CD1 TRP A 45 8.601 9.813 3.817 1.00 11.41 C ATOM 646 CD2 TRP A 45 8.029 8.025 5.039 1.00 42.33 C ATOM 647 NE1 TRP A 45 7.353 9.408 3.411 1.00 75.25 N ATOM 648 CE2 TRP A 45 6.980 8.312 4.144 1.00 51.43 C ATOM 649 CE3 TRP A 45 7.895 6.940 5.908 1.00 34.41 C ATOM 650 CZ2 TRP A 45 5.814 7.553 4.096 1.00 14.44 C ATOM 651 CZ3 TRP A 45 6.736 6.187 5.860 1.00 4.41 C ATOM 652 CH2 TRP A 45 5.709 6.496 4.959 1.00 14.31 C ATOM 0 H TRP A 45 11.163 9.300 3.194 1.00 63.24 H new ATOM 0 HA TRP A 45 12.343 8.249 5.567 1.00 52.52 H new ATOM 0 HB2 TRP A 45 10.221 8.850 6.580 1.00 72.10 H new ATOM 0 HB3 TRP A 45 10.717 10.130 5.490 1.00 72.10 H new ATOM 0 HD1 TRP A 45 9.143 10.653 3.409 1.00 11.41 H new ATOM 0 HE1 TRP A 45 6.794 9.851 2.682 1.00 75.25 H new ATOM 0 HE3 TRP A 45 8.682 6.693 6.605 1.00 34.41 H new ATOM 0 HZ2 TRP A 45 5.021 7.790 3.403 1.00 14.44 H new ATOM 0 HZ3 TRP A 45 6.621 5.347 6.528 1.00 4.41 H new ATOM 0 HH2 TRP A 45 4.816 5.888 4.945 1.00 14.31 H new ATOM 663 N ALA A 46 10.292 6.342 3.875 1.00 22.41 N ATOM 664 CA ALA A 46 9.778 4.983 3.754 1.00 2.01 C ATOM 665 C ALA A 46 10.872 3.956 4.024 1.00 24.15 C ATOM 666 O ALA A 46 10.600 2.857 4.509 1.00 24.33 O ATOM 667 CB ALA A 46 9.178 4.767 2.373 1.00 63.23 C ATOM 0 H ALA A 46 10.090 6.942 3.075 1.00 22.41 H new ATOM 0 HA ALA A 46 8.997 4.848 4.503 1.00 2.01 H new ATOM 0 HB1 ALA A 46 8.798 3.748 2.297 1.00 63.23 H new ATOM 0 HB2 ALA A 46 8.361 5.472 2.217 1.00 63.23 H new ATOM 0 HB3 ALA A 46 9.944 4.926 1.614 1.00 63.23 H new ATOM 673 N LEU A 47 12.110 4.320 3.708 1.00 61.13 N ATOM 674 CA LEU A 47 13.246 3.429 3.916 1.00 5.20 C ATOM 675 C LEU A 47 13.419 3.103 5.396 1.00 10.51 C ATOM 676 O LEU A 47 13.724 1.968 5.761 1.00 52.34 O ATOM 677 CB LEU A 47 14.526 4.066 3.370 1.00 74.12 C ATOM 678 CG LEU A 47 14.416 4.715 1.990 1.00 53.32 C ATOM 679 CD1 LEU A 47 15.749 5.318 1.576 1.00 62.12 C ATOM 680 CD2 LEU A 47 13.944 3.700 0.959 1.00 40.32 C ATOM 0 H LEU A 47 12.353 5.226 3.307 1.00 61.13 H new ATOM 0 HA LEU A 47 13.051 2.501 3.379 1.00 5.20 H new ATOM 0 HB2 LEU A 47 14.863 4.822 4.079 1.00 74.12 H new ATOM 0 HB3 LEU A 47 15.300 3.300 3.329 1.00 74.12 H new ATOM 0 HG LEU A 47 13.679 5.517 2.044 1.00 53.32 H new ATOM 0 HD11 LEU A 47 15.651 5.775 0.591 1.00 62.12 H new ATOM 0 HD12 LEU A 47 16.046 6.076 2.300 1.00 62.12 H new ATOM 0 HD13 LEU A 47 16.507 4.535 1.539 1.00 62.12 H new ATOM 0 HD21 LEU A 47 13.872 4.180 -0.017 1.00 40.32 H new ATOM 0 HD22 LEU A 47 14.656 2.876 0.907 1.00 40.32 H new ATOM 0 HD23 LEU A 47 12.966 3.316 1.248 1.00 40.32 H new ATOM 692 N ALA A 48 13.220 4.107 6.245 1.00 73.24 N ATOM 693 CA ALA A 48 13.349 3.926 7.685 1.00 11.12 C ATOM 694 C ALA A 48 12.129 3.214 8.261 1.00 43.42 C ATOM 695 O ALA A 48 12.209 2.575 9.309 1.00 3.13 O ATOM 696 CB ALA A 48 13.550 5.270 8.370 1.00 62.13 C ATOM 0 H ALA A 48 12.969 5.054 5.960 1.00 73.24 H new ATOM 0 HA ALA A 48 14.223 3.301 7.871 1.00 11.12 H new ATOM 0 HB1 ALA A 48 13.645 5.120 9.445 1.00 62.13 H new ATOM 0 HB2 ALA A 48 14.456 5.741 7.988 1.00 62.13 H new ATOM 0 HB3 ALA A 48 12.694 5.913 8.168 1.00 62.13 H new ATOM 702 N ALA A 49 11.001 3.330 7.568 1.00 12.44 N ATOM 703 CA ALA A 49 9.765 2.697 8.011 1.00 72.25 C ATOM 704 C ALA A 49 9.801 1.192 7.765 1.00 12.20 C ATOM 705 O ALA A 49 9.081 0.431 8.410 1.00 14.24 O ATOM 706 CB ALA A 49 8.570 3.320 7.304 1.00 1.41 C ATOM 0 H ALA A 49 10.918 3.856 6.698 1.00 12.44 H new ATOM 0 HA ALA A 49 9.665 2.862 9.084 1.00 72.25 H new ATOM 0 HB1 ALA A 49 7.654 2.838 7.644 1.00 1.41 H new ATOM 0 HB2 ALA A 49 8.526 4.385 7.533 1.00 1.41 H new ATOM 0 HB3 ALA A 49 8.673 3.184 6.227 1.00 1.41 H new ATOM 712 N ALA A 50 10.643 0.770 6.828 1.00 42.33 N ATOM 713 CA ALA A 50 10.774 -0.644 6.498 1.00 15.42 C ATOM 714 C ALA A 50 11.030 -1.477 7.749 1.00 35.40 C ATOM 715 O ALA A 50 10.651 -2.646 7.816 1.00 22.10 O ATOM 716 CB ALA A 50 11.891 -0.849 5.487 1.00 45.12 C ATOM 0 H ALA A 50 11.245 1.387 6.283 1.00 42.33 H new ATOM 0 HA ALA A 50 9.835 -0.978 6.057 1.00 15.42 H new ATOM 0 HB1 ALA A 50 11.977 -1.909 5.250 1.00 45.12 H new ATOM 0 HB2 ALA A 50 11.666 -0.291 4.578 1.00 45.12 H new ATOM 0 HB3 ALA A 50 12.832 -0.493 5.907 1.00 45.12 H new ATOM 722 N GLY A 51 11.676 -0.868 8.739 1.00 75.41 N ATOM 723 CA GLY A 51 11.972 -1.571 9.974 1.00 13.50 C ATOM 724 C GLY A 51 10.820 -1.524 10.958 1.00 54.00 C ATOM 725 O GLY A 51 10.693 -2.395 11.818 1.00 64.33 O ATOM 0 H GLY A 51 11.999 0.099 8.708 1.00 75.41 H new ATOM 0 HA2 GLY A 51 12.211 -2.610 9.749 1.00 13.50 H new ATOM 0 HA3 GLY A 51 12.857 -1.133 10.435 1.00 13.50 H new ATOM 729 N ALA A 52 9.978 -0.503 10.833 1.00 33.22 N ATOM 730 CA ALA A 52 8.830 -0.347 11.718 1.00 4.34 C ATOM 731 C ALA A 52 7.617 -1.100 11.183 1.00 41.51 C ATOM 732 O ALA A 52 7.242 -2.148 11.709 1.00 21.04 O ATOM 733 CB ALA A 52 8.501 1.128 11.900 1.00 22.40 C ATOM 0 H ALA A 52 10.069 0.228 10.128 1.00 33.22 H new ATOM 0 HA ALA A 52 9.089 -0.773 12.687 1.00 4.34 H new ATOM 0 HB1 ALA A 52 7.642 1.230 12.563 1.00 22.40 H new ATOM 0 HB2 ALA A 52 9.358 1.641 12.336 1.00 22.40 H new ATOM 0 HB3 ALA A 52 8.267 1.571 10.932 1.00 22.40 H new ATOM 739 N LEU A 53 7.007 -0.559 10.134 1.00 14.44 N ATOM 740 CA LEU A 53 5.834 -1.179 9.527 1.00 22.25 C ATOM 741 C LEU A 53 6.135 -1.636 8.104 1.00 44.34 C ATOM 742 O LEU A 53 5.728 -2.720 7.689 1.00 25.23 O ATOM 743 CB LEU A 53 4.659 -0.200 9.524 1.00 71.14 C ATOM 744 CG LEU A 53 4.996 1.252 9.182 1.00 20.22 C ATOM 745 CD1 LEU A 53 3.817 1.927 8.499 1.00 50.00 C ATOM 746 CD2 LEU A 53 5.397 2.015 10.436 1.00 41.20 C ATOM 0 H LEU A 53 7.305 0.308 9.686 1.00 14.44 H new ATOM 0 HA LEU A 53 5.568 -2.054 10.120 1.00 22.25 H new ATOM 0 HB2 LEU A 53 3.916 -0.557 8.811 1.00 71.14 H new ATOM 0 HB3 LEU A 53 4.192 -0.221 10.509 1.00 71.14 H new ATOM 0 HG LEU A 53 5.840 1.257 8.492 1.00 20.22 H new ATOM 0 HD11 LEU A 53 4.075 2.959 8.263 1.00 50.00 H new ATOM 0 HD12 LEU A 53 3.576 1.394 7.579 1.00 50.00 H new ATOM 0 HD13 LEU A 53 2.954 1.912 9.164 1.00 50.00 H new ATOM 0 HD21 LEU A 53 5.633 3.046 10.174 1.00 41.20 H new ATOM 0 HD22 LEU A 53 4.573 2.001 11.149 1.00 41.20 H new ATOM 0 HD23 LEU A 53 6.272 1.545 10.884 1.00 41.20 H new ATOM 758 N GLY A 54 6.853 -0.800 7.359 1.00 65.20 N ATOM 759 CA GLY A 54 7.199 -1.136 5.990 1.00 30.42 C ATOM 760 C GLY A 54 6.007 -1.065 5.057 1.00 34.30 C ATOM 761 O GLY A 54 4.920 -0.651 5.459 1.00 75.44 O ATOM 0 H GLY A 54 7.201 0.104 7.679 1.00 65.20 H new ATOM 0 HA2 GLY A 54 7.974 -0.456 5.637 1.00 30.42 H new ATOM 0 HA3 GLY A 54 7.620 -2.141 5.961 1.00 30.42 H new ATOM 765 N ALA A 55 6.210 -1.468 3.807 1.00 25.41 N ATOM 766 CA ALA A 55 5.143 -1.449 2.814 1.00 3.35 C ATOM 767 C ALA A 55 3.924 -2.223 3.304 1.00 61.03 C ATOM 768 O ALA A 55 2.788 -1.900 2.954 1.00 63.13 O ATOM 769 CB ALA A 55 5.639 -2.021 1.495 1.00 45.33 C ATOM 0 H ALA A 55 7.105 -1.812 3.458 1.00 25.41 H new ATOM 0 HA ALA A 55 4.844 -0.413 2.658 1.00 3.35 H new ATOM 0 HB1 ALA A 55 4.832 -2.001 0.763 1.00 45.33 H new ATOM 0 HB2 ALA A 55 6.475 -1.423 1.131 1.00 45.33 H new ATOM 0 HB3 ALA A 55 5.967 -3.050 1.645 1.00 45.33 H new ATOM 775 N THR A 56 4.166 -3.248 4.115 1.00 1.02 N ATOM 776 CA THR A 56 3.088 -4.070 4.651 1.00 2.30 C ATOM 777 C THR A 56 1.980 -4.263 3.622 1.00 44.41 C ATOM 778 O THR A 56 0.797 -4.158 3.943 1.00 40.41 O ATOM 779 CB THR A 56 2.487 -3.447 5.925 1.00 1.31 C ATOM 780 OG1 THR A 56 1.456 -4.294 6.445 1.00 3.22 O ATOM 781 CG2 THR A 56 1.918 -2.066 5.636 1.00 72.04 C ATOM 0 H THR A 56 5.099 -3.529 4.415 1.00 1.02 H new ATOM 0 HA THR A 56 3.522 -5.038 4.899 1.00 2.30 H new ATOM 0 HB THR A 56 3.282 -3.347 6.664 1.00 1.31 H new ATOM 0 HG1 THR A 56 0.801 -4.483 5.741 1.00 3.22 H new ATOM 0 HG21 THR A 56 1.499 -1.646 6.551 1.00 72.04 H new ATOM 0 HG22 THR A 56 2.711 -1.415 5.268 1.00 72.04 H new ATOM 0 HG23 THR A 56 1.135 -2.146 4.882 1.00 72.04 H new ATOM 789 N ALA A 57 2.372 -4.546 2.384 1.00 71.11 N ATOM 790 CA ALA A 57 1.411 -4.757 1.308 1.00 1.42 C ATOM 791 C ALA A 57 0.625 -3.483 1.017 1.00 12.23 C ATOM 792 O ALA A 57 -0.603 -3.470 1.092 1.00 54.34 O ATOM 793 CB ALA A 57 0.465 -5.894 1.661 1.00 34.41 C ATOM 0 H ALA A 57 3.348 -4.634 2.101 1.00 71.11 H new ATOM 0 HA ALA A 57 1.964 -5.026 0.408 1.00 1.42 H new ATOM 0 HB1 ALA A 57 -0.247 -6.040 0.849 1.00 34.41 H new ATOM 0 HB2 ALA A 57 1.037 -6.810 1.812 1.00 34.41 H new ATOM 0 HB3 ALA A 57 -0.074 -5.648 2.576 1.00 34.41 H new ATOM 799 N ALA A 58 1.341 -2.413 0.687 1.00 62.33 N ATOM 800 CA ALA A 58 0.710 -1.135 0.383 1.00 11.05 C ATOM 801 C ALA A 58 0.990 -0.712 -1.054 1.00 41.34 C ATOM 802 O ALA A 58 0.066 -0.511 -1.844 1.00 2.43 O ATOM 803 CB ALA A 58 1.190 -0.066 1.354 1.00 43.24 C ATOM 0 H ALA A 58 2.359 -2.406 0.623 1.00 62.33 H new ATOM 0 HA ALA A 58 -0.368 -1.254 0.494 1.00 11.05 H new ATOM 0 HB1 ALA A 58 0.711 0.884 1.116 1.00 43.24 H new ATOM 0 HB2 ALA A 58 0.932 -0.357 2.372 1.00 43.24 H new ATOM 0 HB3 ALA A 58 2.271 0.042 1.271 1.00 43.24 H new