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 Single : A 1 ILE N :NH3+ -132:sc= -0.253 (180deg=-1.32) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.7!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.0016) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= -0.0252 (180deg=-1.02) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -52:sc= 0.267 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 -68:sc= 0.766 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.895 0.127 -1.031 1.00 73.12 N ATOM 2 CA ILE A 1 2.431 0.009 -2.382 1.00 35.24 C ATOM 3 C ILE A 1 1.845 -1.201 -3.102 1.00 32.14 C ATOM 4 O ILE A 1 1.746 -1.218 -4.329 1.00 32.53 O ATOM 5 CB ILE A 1 3.966 -0.109 -2.370 1.00 1.24 C ATOM 6 CG1 ILE A 1 4.588 1.122 -1.706 1.00 64.44 C ATOM 7 CG2 ILE A 1 4.495 -0.278 -3.786 1.00 23.52 C ATOM 8 CD1 ILE A 1 4.346 2.406 -2.468 1.00 1.03 C ATOM 0 H1 ILE A 1 1.586 1.106 -0.864 1.00 73.12 H new ATOM 0 H3 ILE A 1 2.632 -0.126 -0.342 1.00 73.12 H new ATOM 0 HA ILE A 1 2.149 0.917 -2.914 1.00 35.24 H new ATOM 0 HB ILE A 1 4.244 -0.990 -1.792 1.00 1.24 H new ATOM 0 HG12 ILE A 1 4.184 1.225 -0.699 1.00 64.44 H new ATOM 0 HG13 ILE A 1 5.662 0.966 -1.604 1.00 64.44 H new ATOM 0 HG21 ILE A 1 5.582 -0.360 -3.761 1.00 23.52 H new ATOM 0 HG22 ILE A 1 4.073 -1.181 -4.227 1.00 23.52 H new ATOM 0 HG23 ILE A 1 4.210 0.586 -4.386 1.00 23.52 H new ATOM 0 HD11 ILE A 1 4.815 3.236 -1.940 1.00 1.03 H new ATOM 0 HD12 ILE A 1 4.775 2.323 -3.467 1.00 1.03 H new ATOM 0 HD13 ILE A 1 3.274 2.585 -2.547 1.00 1.03 H new ATOM 20 N TYR A 2 1.456 -2.210 -2.330 1.00 64.54 N ATOM 21 CA TYR A 2 0.880 -3.425 -2.894 1.00 64.53 C ATOM 22 C TYR A 2 -0.589 -3.219 -3.247 1.00 54.22 C ATOM 23 O TYR A 2 -1.243 -4.116 -3.779 1.00 53.44 O ATOM 24 CB TYR A 2 1.021 -4.587 -1.909 1.00 4.22 C ATOM 25 CG TYR A 2 2.452 -5.026 -1.691 1.00 12.44 C ATOM 26 CD1 TYR A 2 3.278 -4.351 -0.800 1.00 34.25 C ATOM 27 CD2 TYR A 2 2.978 -6.114 -2.376 1.00 52.40 C ATOM 28 CE1 TYR A 2 4.585 -4.748 -0.597 1.00 44.03 C ATOM 29 CE2 TYR A 2 4.284 -6.518 -2.179 1.00 72.31 C ATOM 30 CZ TYR A 2 5.084 -5.832 -1.289 1.00 74.30 C ATOM 31 OH TYR A 2 6.386 -6.231 -1.091 1.00 74.41 O ATOM 0 H TYR A 2 1.529 -2.210 -1.313 1.00 64.54 H new ATOM 0 HA TYR A 2 1.424 -3.664 -3.808 1.00 64.53 H new ATOM 0 HB2 TYR A 2 0.589 -4.295 -0.952 1.00 4.22 H new ATOM 0 HB3 TYR A 2 0.441 -5.435 -2.275 1.00 4.22 H new ATOM 0 HD1 TYR A 2 2.891 -3.501 -0.257 1.00 34.25 H new ATOM 0 HD2 TYR A 2 2.355 -6.653 -3.074 1.00 52.40 H new ATOM 0 HE1 TYR A 2 5.213 -4.213 0.100 1.00 44.03 H new ATOM 0 HE2 TYR A 2 4.677 -7.367 -2.719 1.00 72.31 H new ATOM 0 HH TYR A 2 6.579 -7.010 -1.654 1.00 74.41 H new ATOM 41 N TRP A 3 -1.101 -2.031 -2.947 1.00 52.42 N ATOM 42 CA TRP A 3 -2.494 -1.704 -3.233 1.00 22.31 C ATOM 43 C TRP A 3 -2.592 -0.665 -4.344 1.00 74.33 C ATOM 44 O TRP A 3 -3.515 -0.701 -5.159 1.00 51.30 O ATOM 45 CB TRP A 3 -3.187 -1.187 -1.971 1.00 60.23 C ATOM 46 CG TRP A 3 -4.637 -0.870 -2.178 1.00 50.42 C ATOM 47 CD1 TRP A 3 -5.684 -1.744 -2.117 1.00 14.24 C ATOM 48 CD2 TRP A 3 -5.199 0.412 -2.482 1.00 22.13 C ATOM 49 NE1 TRP A 3 -6.864 -1.083 -2.364 1.00 5.03 N ATOM 50 CE2 TRP A 3 -6.593 0.241 -2.590 1.00 22.43 C ATOM 51 CE3 TRP A 3 -4.660 1.687 -2.671 1.00 14.53 C ATOM 52 CZ2 TRP A 3 -7.452 1.297 -2.879 1.00 50.23 C ATOM 53 CZ3 TRP A 3 -5.514 2.735 -2.958 1.00 55.04 C ATOM 54 CH2 TRP A 3 -6.898 2.535 -3.060 1.00 3.33 C ATOM 0 H TRP A 3 -0.573 -1.278 -2.506 1.00 52.42 H new ATOM 0 HA TRP A 3 -2.994 -2.613 -3.567 1.00 22.31 H new ATOM 0 HB2 TRP A 3 -3.095 -1.934 -1.182 1.00 60.23 H new ATOM 0 HB3 TRP A 3 -2.672 -0.291 -1.624 1.00 60.23 H new ATOM 0 HD1 TRP A 3 -5.598 -2.800 -1.906 1.00 14.24 H new ATOM 0 HE1 TRP A 3 -7.791 -1.509 -2.377 1.00 5.03 H new ATOM 0 HE3 TRP A 3 -3.595 1.851 -2.594 1.00 14.53 H new ATOM 0 HZ2 TRP A 3 -8.518 1.145 -2.958 1.00 50.23 H new ATOM 0 HZ3 TRP A 3 -5.108 3.725 -3.106 1.00 55.04 H new ATOM 0 HH2 TRP A 3 -7.539 3.374 -3.286 1.00 3.33 H new ATOM 65 N ILE A 4 -1.637 0.258 -4.372 1.00 31.20 N ATOM 66 CA ILE A 4 -1.617 1.306 -5.385 1.00 71.51 C ATOM 67 C ILE A 4 -1.258 0.739 -6.755 1.00 12.23 C ATOM 68 O ILE A 4 -1.833 1.131 -7.770 1.00 2.22 O ATOM 69 CB ILE A 4 -0.616 2.419 -5.024 1.00 21.30 C ATOM 70 CG1 ILE A 4 -1.068 3.150 -3.759 1.00 0.54 C ATOM 71 CG2 ILE A 4 -0.468 3.394 -6.182 1.00 41.12 C ATOM 72 CD1 ILE A 4 -0.094 3.025 -2.608 1.00 14.13 C ATOM 0 H ILE A 4 -0.867 0.302 -3.705 1.00 31.20 H new ATOM 0 HA ILE A 4 -2.621 1.730 -5.421 1.00 71.51 H new ATOM 0 HB ILE A 4 0.356 1.965 -4.831 1.00 21.30 H new ATOM 0 HG12 ILE A 4 -1.211 4.206 -3.990 1.00 0.54 H new ATOM 0 HG13 ILE A 4 -2.037 2.758 -3.449 1.00 0.54 H new ATOM 0 HG21 ILE A 4 0.243 4.175 -5.912 1.00 41.12 H new ATOM 0 HG22 ILE A 4 -0.105 2.862 -7.062 1.00 41.12 H new ATOM 0 HG23 ILE A 4 -1.435 3.845 -6.404 1.00 41.12 H new ATOM 0 HD11 ILE A 4 -0.479 3.568 -1.745 1.00 14.13 H new ATOM 0 HD12 ILE A 4 0.031 1.973 -2.349 1.00 14.13 H new ATOM 0 HD13 ILE A 4 0.869 3.444 -2.899 1.00 14.13 H new ATOM 84 N ALA A 5 -0.305 -0.187 -6.775 1.00 12.13 N ATOM 85 CA ALA A 5 0.128 -0.811 -8.019 1.00 11.31 C ATOM 86 C ALA A 5 -1.028 -1.533 -8.702 1.00 72.22 C ATOM 87 O ALA A 5 -0.979 -1.807 -9.901 1.00 74.15 O ATOM 88 CB ALA A 5 1.274 -1.776 -7.754 1.00 73.14 C ATOM 0 H ALA A 5 0.182 -0.522 -5.944 1.00 12.13 H new ATOM 0 HA ALA A 5 0.477 -0.025 -8.689 1.00 11.31 H new ATOM 0 HB1 ALA A 5 1.587 -2.235 -8.692 1.00 73.14 H new ATOM 0 HB2 ALA A 5 2.113 -1.234 -7.317 1.00 73.14 H new ATOM 0 HB3 ALA A 5 0.944 -2.552 -7.063 1.00 73.14 H new ATOM 94 N ASP A 6 -2.066 -1.840 -7.932 1.00 11.42 N ATOM 95 CA ASP A 6 -3.235 -2.530 -8.463 1.00 72.43 C ATOM 96 C ASP A 6 -4.240 -1.536 -9.037 1.00 21.01 C ATOM 97 O ASP A 6 -4.402 -1.435 -10.253 1.00 20.43 O ATOM 98 CB ASP A 6 -3.898 -3.371 -7.371 1.00 21.02 C ATOM 99 CG ASP A 6 -3.149 -4.661 -7.098 1.00 40.24 C ATOM 100 OD1 ASP A 6 -2.143 -4.920 -7.791 1.00 73.15 O ATOM 101 OD2 ASP A 6 -3.569 -5.411 -6.193 1.00 31.33 O ATOM 0 H ASP A 6 -2.121 -1.622 -6.937 1.00 11.42 H new ATOM 0 HA ASP A 6 -2.903 -3.188 -9.266 1.00 72.43 H new ATOM 0 HB2 ASP A 6 -3.957 -2.787 -6.452 1.00 21.02 H new ATOM 0 HB3 ASP A 6 -4.921 -3.604 -7.667 1.00 21.02 H new ATOM 106 N GLN A 7 -4.912 -0.805 -8.153 1.00 63.03 N ATOM 107 CA GLN A 7 -5.902 0.180 -8.573 1.00 22.14 C ATOM 108 C GLN A 7 -5.314 1.137 -9.604 1.00 52.14 C ATOM 109 O GLN A 7 -5.764 1.184 -10.749 1.00 51.54 O ATOM 110 CB GLN A 7 -6.414 0.965 -7.364 1.00 51.52 C ATOM 111 CG GLN A 7 -7.006 0.087 -6.274 1.00 30.11 C ATOM 112 CD GLN A 7 -8.367 -0.467 -6.646 1.00 14.14 C ATOM 113 OE1 GLN A 7 -8.499 -1.232 -7.601 1.00 53.14 O ATOM 114 NE2 GLN A 7 -9.389 -0.083 -5.890 1.00 15.12 N ATOM 0 H GLN A 7 -4.789 -0.876 -7.143 1.00 63.03 H new ATOM 0 HA GLN A 7 -6.735 -0.352 -9.032 1.00 22.14 H new ATOM 0 HB2 GLN A 7 -5.593 1.546 -6.945 1.00 51.52 H new ATOM 0 HB3 GLN A 7 -7.170 1.676 -7.697 1.00 51.52 H new ATOM 0 HG2 GLN A 7 -6.325 -0.739 -6.069 1.00 30.11 H new ATOM 0 HG3 GLN A 7 -7.092 0.665 -5.354 1.00 30.11 H new ATOM 0 HE21 GLN A 7 -9.234 0.553 -5.108 1.00 15.12 H new ATOM 0 HE22 GLN A 7 -10.329 -0.424 -6.092 1.00 15.12 H new ATOM 123 N PHE A 8 -4.307 1.899 -9.191 1.00 41.02 N ATOM 124 CA PHE A 8 -3.658 2.857 -10.079 1.00 73.44 C ATOM 125 C PHE A 8 -2.677 2.154 -11.013 1.00 41.20 C ATOM 126 O PHE A 8 -2.914 2.049 -12.216 1.00 2.43 O ATOM 127 CB PHE A 8 -2.928 3.926 -9.265 1.00 12.52 C ATOM 128 CG PHE A 8 -3.791 4.579 -8.223 1.00 41.51 C ATOM 129 CD1 PHE A 8 -3.948 4.002 -6.973 1.00 41.33 C ATOM 130 CD2 PHE A 8 -4.445 5.770 -8.494 1.00 15.31 C ATOM 131 CE1 PHE A 8 -4.741 4.601 -6.012 1.00 62.22 C ATOM 132 CE2 PHE A 8 -5.239 6.374 -7.537 1.00 32.43 C ATOM 133 CZ PHE A 8 -5.388 5.788 -6.295 1.00 31.51 C ATOM 0 H PHE A 8 -3.922 1.872 -8.247 1.00 41.02 H new ATOM 0 HA PHE A 8 -4.429 3.335 -10.683 1.00 73.44 H new ATOM 0 HB2 PHE A 8 -2.064 3.474 -8.778 1.00 12.52 H new ATOM 0 HB3 PHE A 8 -2.548 4.691 -9.942 1.00 12.52 H new ATOM 0 HD1 PHE A 8 -3.445 3.073 -6.747 1.00 41.33 H new ATOM 0 HD2 PHE A 8 -4.333 6.232 -9.464 1.00 15.31 H new ATOM 0 HE1 PHE A 8 -4.854 4.141 -5.041 1.00 62.22 H new ATOM 0 HE2 PHE A 8 -5.742 7.303 -7.760 1.00 32.43 H new ATOM 0 HZ PHE A 8 -6.009 6.257 -5.547 1.00 31.51 H new ATOM 143 N GLY A 9 -1.572 1.675 -10.449 1.00 34.31 N ATOM 144 CA GLY A 9 -0.571 0.989 -11.244 1.00 42.03 C ATOM 145 C GLY A 9 0.287 1.947 -12.047 1.00 61.44 C ATOM 146 O GLY A 9 0.028 2.182 -13.228 1.00 34.11 O ATOM 0 H GLY A 9 -1.353 1.750 -9.456 1.00 34.31 H new ATOM 0 HA2 GLY A 9 0.067 0.397 -10.588 1.00 42.03 H new ATOM 0 HA3 GLY A 9 -1.064 0.292 -11.922 1.00 42.03 H new ATOM 150 N ILE A 10 1.310 2.501 -11.406 1.00 42.45 N ATOM 151 CA ILE A 10 2.208 3.439 -12.069 1.00 41.21 C ATOM 152 C ILE A 10 3.292 2.704 -12.850 1.00 61.00 C ATOM 153 O ILE A 10 3.833 1.700 -12.387 1.00 24.35 O ATOM 154 CB ILE A 10 2.875 4.390 -11.058 1.00 2.02 C ATOM 155 CG1 ILE A 10 1.813 5.109 -10.223 1.00 62.13 C ATOM 156 CG2 ILE A 10 3.759 5.396 -11.780 1.00 23.30 C ATOM 157 CD1 ILE A 10 0.828 5.903 -11.053 1.00 24.13 C ATOM 0 H ILE A 10 1.538 2.317 -10.429 1.00 42.45 H new ATOM 0 HA ILE A 10 1.600 4.024 -12.759 1.00 41.21 H new ATOM 0 HB ILE A 10 3.501 3.802 -10.387 1.00 2.02 H new ATOM 0 HG12 ILE A 10 1.268 4.373 -9.632 1.00 62.13 H new ATOM 0 HG13 ILE A 10 2.307 5.780 -9.520 1.00 62.13 H new ATOM 0 HG21 ILE A 10 4.223 6.061 -11.052 1.00 23.30 H new ATOM 0 HG22 ILE A 10 4.534 4.867 -12.334 1.00 23.30 H new ATOM 0 HG23 ILE A 10 3.154 5.982 -12.472 1.00 23.30 H new ATOM 0 HD11 ILE A 10 0.105 6.386 -10.396 1.00 24.13 H new ATOM 0 HD12 ILE A 10 1.362 6.662 -11.624 1.00 24.13 H new ATOM 0 HD13 ILE A 10 0.307 5.234 -11.737 1.00 24.13 H new ATOM 169 N HIS A 11 3.606 3.212 -14.038 1.00 32.13 N ATOM 170 CA HIS A 11 4.628 2.605 -14.883 1.00 32.10 C ATOM 171 C HIS A 11 6.025 2.927 -14.362 1.00 43.34 C ATOM 172 O HIS A 11 6.763 3.703 -14.972 1.00 54.20 O ATOM 173 CB HIS A 11 4.483 3.093 -16.325 1.00 31.32 C ATOM 174 CG HIS A 11 3.314 2.495 -17.045 1.00 34.43 C ATOM 175 ND1 HIS A 11 2.441 3.238 -17.810 1.00 53.44 N ATOM 176 CD2 HIS A 11 2.876 1.215 -17.114 1.00 4.51 C ATOM 177 CE1 HIS A 11 1.516 2.443 -18.318 1.00 21.12 C ATOM 178 NE2 HIS A 11 1.758 1.210 -17.911 1.00 21.13 N ATOM 0 H HIS A 11 3.167 4.042 -14.437 1.00 32.13 H new ATOM 0 HA HIS A 11 4.491 1.524 -14.858 1.00 32.10 H new ATOM 0 HB2 HIS A 11 4.382 4.178 -16.324 1.00 31.32 H new ATOM 0 HB3 HIS A 11 5.396 2.858 -16.873 1.00 31.32 H new ATOM 0 HD2 HIS A 11 3.323 0.358 -16.632 1.00 4.51 H new ATOM 0 HE1 HIS A 11 0.701 2.749 -18.957 1.00 21.12 H new ATOM 0 HE2 HIS A 11 1.204 0.387 -18.150 1.00 21.13 H new ATOM 186 N LEU A 12 6.383 2.328 -13.232 1.00 61.12 N ATOM 187 CA LEU A 12 7.692 2.552 -12.629 1.00 22.43 C ATOM 188 C LEU A 12 8.531 1.278 -12.660 1.00 30.03 C ATOM 189 O LEU A 12 9.479 1.128 -11.889 1.00 54.21 O ATOM 190 CB LEU A 12 7.535 3.037 -11.187 1.00 13.23 C ATOM 191 CG LEU A 12 6.314 2.510 -10.431 1.00 4.53 C ATOM 192 CD1 LEU A 12 6.303 0.990 -10.429 1.00 22.24 C ATOM 193 CD2 LEU A 12 6.296 3.048 -9.007 1.00 63.31 C ATOM 0 H LEU A 12 5.785 1.683 -12.715 1.00 61.12 H new ATOM 0 HA LEU A 12 8.206 3.318 -13.210 1.00 22.43 H new ATOM 0 HB2 LEU A 12 8.430 2.758 -10.631 1.00 13.23 H new ATOM 0 HB3 LEU A 12 7.491 4.126 -11.194 1.00 13.23 H new ATOM 0 HG LEU A 12 5.416 2.858 -10.941 1.00 4.53 H new ATOM 0 HD11 LEU A 12 5.427 0.633 -9.887 1.00 22.24 H new ATOM 0 HD12 LEU A 12 6.268 0.625 -11.455 1.00 22.24 H new ATOM 0 HD13 LEU A 12 7.206 0.620 -9.943 1.00 22.24 H new ATOM 0 HD21 LEU A 12 5.421 2.663 -8.484 1.00 63.31 H new ATOM 0 HD22 LEU A 12 7.199 2.730 -8.486 1.00 63.31 H new ATOM 0 HD23 LEU A 12 6.255 4.137 -9.030 1.00 63.31 H new ATOM 205 N ALA A 13 8.177 0.364 -13.557 1.00 74.01 N ATOM 206 CA ALA A 13 8.899 -0.895 -13.692 1.00 1.23 C ATOM 207 C ALA A 13 10.193 -0.704 -14.476 1.00 72.11 C ATOM 208 O ALA A 13 10.309 -1.146 -15.620 1.00 23.13 O ATOM 209 CB ALA A 13 8.020 -1.938 -14.365 1.00 63.40 C ATOM 0 H ALA A 13 7.394 0.472 -14.202 1.00 74.01 H new ATOM 0 HA ALA A 13 9.159 -1.246 -12.693 1.00 1.23 H new ATOM 0 HB1 ALA A 13 8.572 -2.873 -14.459 1.00 63.40 H new ATOM 0 HB2 ALA A 13 7.126 -2.103 -13.764 1.00 63.40 H new ATOM 0 HB3 ALA A 13 7.731 -1.586 -15.355 1.00 63.40 H new ATOM 215 N THR A 14 11.164 -0.042 -13.855 1.00 22.21 N ATOM 216 CA THR A 14 12.449 0.209 -14.496 1.00 30.24 C ATOM 217 C THR A 14 13.053 -1.081 -15.040 1.00 52.54 C ATOM 218 O THR A 14 13.789 -1.065 -16.026 1.00 1.32 O ATOM 219 CB THR A 14 13.447 0.857 -13.518 1.00 23.33 C ATOM 220 OG1 THR A 14 14.665 1.175 -14.200 1.00 63.32 O ATOM 221 CG2 THR A 14 13.742 -0.073 -12.350 1.00 41.03 C ATOM 0 H THR A 14 11.085 0.330 -12.909 1.00 22.21 H new ATOM 0 HA THR A 14 12.262 0.896 -15.321 1.00 30.24 H new ATOM 0 HB THR A 14 12.999 1.772 -13.130 1.00 23.33 H new ATOM 0 HG1 THR A 14 15.294 1.588 -13.572 1.00 63.32 H new ATOM 0 HG21 THR A 14 14.449 0.406 -11.673 1.00 41.03 H new ATOM 0 HG22 THR A 14 12.817 -0.290 -11.815 1.00 41.03 H new ATOM 0 HG23 THR A 14 14.171 -1.002 -12.724 1.00 41.03 H new ATOM 229 N GLY A 15 12.736 -2.197 -14.392 1.00 74.54 N ATOM 230 CA GLY A 15 13.255 -3.481 -14.827 1.00 44.45 C ATOM 231 C GLY A 15 13.899 -4.259 -13.697 1.00 52.01 C ATOM 232 O GLY A 15 14.059 -5.477 -13.783 1.00 42.04 O ATOM 0 H GLY A 15 12.129 -2.235 -13.573 1.00 74.54 H new ATOM 0 HA2 GLY A 15 12.444 -4.071 -15.254 1.00 44.45 H new ATOM 0 HA3 GLY A 15 13.987 -3.324 -15.619 1.00 44.45 H new ATOM 236 N THR A 16 14.271 -3.555 -12.632 1.00 40.15 N ATOM 237 CA THR A 16 14.903 -4.187 -11.481 1.00 43.53 C ATOM 238 C THR A 16 13.969 -4.194 -10.277 1.00 25.35 C ATOM 239 O THR A 16 14.084 -5.046 -9.396 1.00 5.03 O ATOM 240 CB THR A 16 16.213 -3.472 -11.097 1.00 54.31 C ATOM 241 OG1 THR A 16 17.129 -3.503 -12.197 1.00 53.31 O ATOM 242 CG2 THR A 16 16.850 -4.127 -9.881 1.00 40.11 C ATOM 0 H THR A 16 14.145 -2.547 -12.543 1.00 40.15 H new ATOM 0 HA THR A 16 15.129 -5.214 -11.768 1.00 43.53 H new ATOM 0 HB THR A 16 15.977 -2.437 -10.851 1.00 54.31 H new ATOM 0 HG1 THR A 16 17.958 -3.045 -11.945 1.00 53.31 H new ATOM 0 HG21 THR A 16 17.773 -3.605 -9.629 1.00 40.11 H new ATOM 0 HG22 THR A 16 16.162 -4.075 -9.037 1.00 40.11 H new ATOM 0 HG23 THR A 16 17.072 -5.170 -10.104 1.00 40.11 H new ATOM 250 N ALA A 17 13.044 -3.241 -10.245 1.00 3.23 N ATOM 251 CA ALA A 17 12.089 -3.140 -9.149 1.00 34.03 C ATOM 252 C ALA A 17 11.256 -4.412 -9.028 1.00 12.21 C ATOM 253 O ALA A 17 11.120 -4.975 -7.942 1.00 23.32 O ATOM 254 CB ALA A 17 11.185 -1.932 -9.346 1.00 11.11 C ATOM 0 H ALA A 17 12.936 -2.528 -10.966 1.00 3.23 H new ATOM 0 HA ALA A 17 12.649 -3.014 -8.222 1.00 34.03 H new ATOM 0 HB1 ALA A 17 10.477 -1.869 -8.520 1.00 11.11 H new ATOM 0 HB2 ALA A 17 11.790 -1.026 -9.375 1.00 11.11 H new ATOM 0 HB3 ALA A 17 10.640 -2.035 -10.284 1.00 11.11 H new ATOM 260 N ARG A 18 10.700 -4.858 -10.149 1.00 75.13 N ATOM 261 CA ARG A 18 9.878 -6.062 -10.168 1.00 23.50 C ATOM 262 C ARG A 18 10.666 -7.266 -9.658 1.00 42.24 C ATOM 263 O ARG A 18 10.089 -8.248 -9.191 1.00 55.43 O ATOM 264 CB ARG A 18 9.368 -6.336 -11.584 1.00 44.11 C ATOM 265 CG ARG A 18 8.715 -7.699 -11.744 1.00 23.02 C ATOM 266 CD ARG A 18 7.478 -7.830 -10.869 1.00 50.24 C ATOM 267 NE ARG A 18 6.840 -9.136 -11.015 1.00 4.41 N ATOM 268 CZ ARG A 18 5.576 -9.377 -10.686 1.00 41.25 C ATOM 269 NH1 ARG A 18 4.818 -8.406 -10.197 1.00 0.51 N ATOM 270 NH2 ARG A 18 5.068 -10.592 -10.848 1.00 54.32 N ATOM 0 H ARG A 18 10.804 -4.404 -11.056 1.00 75.13 H new ATOM 0 HA ARG A 18 9.026 -5.900 -9.508 1.00 23.50 H new ATOM 0 HB2 ARG A 18 8.649 -5.564 -11.858 1.00 44.11 H new ATOM 0 HB3 ARG A 18 10.201 -6.258 -12.282 1.00 44.11 H new ATOM 0 HG2 ARG A 18 8.442 -7.852 -12.788 1.00 23.02 H new ATOM 0 HG3 ARG A 18 9.430 -8.479 -11.484 1.00 23.02 H new ATOM 0 HD2 ARG A 18 7.754 -7.676 -9.826 1.00 50.24 H new ATOM 0 HD3 ARG A 18 6.765 -7.047 -11.129 1.00 50.24 H new ATOM 0 HE ARG A 18 7.396 -9.905 -11.390 1.00 4.41 H new ATOM 0 HH11 ARG A 18 5.205 -7.471 -10.072 1.00 0.51 H new ATOM 0 HH12 ARG A 18 3.848 -8.594 -9.945 1.00 0.51 H new ATOM 0 HH21 ARG A 18 5.648 -11.341 -11.225 1.00 54.32 H new ATOM 0 HH22 ARG A 18 4.097 -10.777 -10.595 1.00 54.32 H new ATOM 284 N LYS A 19 11.989 -7.183 -9.752 1.00 40.11 N ATOM 285 CA LYS A 19 12.858 -8.263 -9.301 1.00 33.44 C ATOM 286 C LYS A 19 13.037 -8.220 -7.786 1.00 64.45 C ATOM 287 O LYS A 19 13.188 -9.258 -7.139 1.00 52.52 O ATOM 288 CB LYS A 19 14.221 -8.171 -9.990 1.00 21.05 C ATOM 289 CG LYS A 19 14.144 -7.696 -11.430 1.00 73.01 C ATOM 290 CD LYS A 19 13.189 -8.549 -12.248 1.00 73.21 C ATOM 291 CE LYS A 19 13.639 -10.001 -12.294 1.00 72.42 C ATOM 292 NZ LYS A 19 12.650 -10.909 -11.649 1.00 62.22 N ATOM 0 H LYS A 19 12.483 -6.378 -10.137 1.00 40.11 H new ATOM 0 HA LYS A 19 12.388 -9.210 -9.567 1.00 33.44 H new ATOM 0 HB2 LYS A 19 14.859 -7.491 -9.426 1.00 21.05 H new ATOM 0 HB3 LYS A 19 14.698 -9.151 -9.964 1.00 21.05 H new ATOM 0 HG2 LYS A 19 13.817 -6.657 -11.454 1.00 73.01 H new ATOM 0 HG3 LYS A 19 15.137 -7.728 -11.878 1.00 73.01 H new ATOM 0 HD2 LYS A 19 12.189 -8.490 -11.819 1.00 73.21 H new ATOM 0 HD3 LYS A 19 13.125 -8.155 -13.262 1.00 73.21 H new ATOM 0 HE2 LYS A 19 13.787 -10.303 -13.331 1.00 72.42 H new ATOM 0 HE3 LYS A 19 14.602 -10.099 -11.793 1.00 72.42 H new ATOM 0 HZ1 LYS A 19 12.688 -11.843 -12.104 1.00 62.22 H new ATOM 0 HZ2 LYS A 19 12.876 -11.006 -10.638 1.00 62.22 H new ATOM 0 HZ3 LYS A 19 11.694 -10.512 -11.754 1.00 62.22 H new ATOM 306 N LEU A 20 13.020 -7.016 -7.227 1.00 54.43 N ATOM 307 CA LEU A 20 13.179 -6.838 -5.788 1.00 40.42 C ATOM 308 C LEU A 20 11.908 -7.239 -5.046 1.00 4.22 C ATOM 309 O LEU A 20 11.967 -7.818 -3.960 1.00 43.22 O ATOM 310 CB LEU A 20 13.532 -5.383 -5.470 1.00 75.42 C ATOM 311 CG LEU A 20 15.001 -4.996 -5.642 1.00 32.02 C ATOM 312 CD1 LEU A 20 15.187 -3.501 -5.431 1.00 32.41 C ATOM 313 CD2 LEU A 20 15.876 -5.785 -4.679 1.00 63.34 C ATOM 0 H LEU A 20 12.898 -6.148 -7.748 1.00 54.43 H new ATOM 0 HA LEU A 20 13.991 -7.484 -5.454 1.00 40.42 H new ATOM 0 HB2 LEU A 20 12.930 -4.736 -6.108 1.00 75.42 H new ATOM 0 HB3 LEU A 20 13.241 -5.176 -4.440 1.00 75.42 H new ATOM 0 HG LEU A 20 15.305 -5.239 -6.660 1.00 32.02 H new ATOM 0 HD11 LEU A 20 16.239 -3.244 -5.557 1.00 32.41 H new ATOM 0 HD12 LEU A 20 14.589 -2.954 -6.160 1.00 32.41 H new ATOM 0 HD13 LEU A 20 14.866 -3.233 -4.424 1.00 32.41 H new ATOM 0 HD21 LEU A 20 16.918 -5.497 -4.815 1.00 63.34 H new ATOM 0 HD22 LEU A 20 15.572 -5.573 -3.654 1.00 63.34 H new ATOM 0 HD23 LEU A 20 15.765 -6.851 -4.877 1.00 63.34 H new ATOM 325 N LEU A 21 10.761 -6.929 -5.639 1.00 35.45 N ATOM 326 CA LEU A 21 9.474 -7.260 -5.035 1.00 3.33 C ATOM 327 C LEU A 21 9.318 -8.769 -4.877 1.00 41.22 C ATOM 328 O LEU A 21 8.466 -9.239 -4.123 1.00 64.41 O ATOM 329 CB LEU A 21 8.331 -6.703 -5.886 1.00 23.34 C ATOM 330 CG LEU A 21 7.854 -5.295 -5.530 1.00 43.44 C ATOM 331 CD1 LEU A 21 7.192 -4.637 -6.731 1.00 2.40 C ATOM 332 CD2 LEU A 21 6.897 -5.338 -4.348 1.00 72.04 C ATOM 0 H LEU A 21 10.695 -6.449 -6.537 1.00 35.45 H new ATOM 0 HA LEU A 21 9.437 -6.805 -4.045 1.00 3.33 H new ATOM 0 HB2 LEU A 21 8.647 -6.705 -6.929 1.00 23.34 H new ATOM 0 HB3 LEU A 21 7.482 -7.383 -5.809 1.00 23.34 H new ATOM 0 HG LEU A 21 8.722 -4.699 -5.247 1.00 43.44 H new ATOM 0 HD11 LEU A 21 6.859 -3.635 -6.459 1.00 2.40 H new ATOM 0 HD12 LEU A 21 7.908 -4.571 -7.550 1.00 2.40 H new ATOM 0 HD13 LEU A 21 6.334 -5.232 -7.045 1.00 2.40 H new ATOM 0 HD21 LEU A 21 6.568 -4.327 -4.109 1.00 72.04 H new ATOM 0 HD22 LEU A 21 6.032 -5.950 -4.602 1.00 72.04 H new ATOM 0 HD23 LEU A 21 7.404 -5.768 -3.484 1.00 72.04 H new ATOM 344 N ASP A 22 10.147 -9.522 -5.592 1.00 10.32 N ATOM 345 CA ASP A 22 10.104 -10.978 -5.529 1.00 75.01 C ATOM 346 C ASP A 22 11.229 -11.518 -4.652 1.00 52.00 C ATOM 347 O ASP A 22 11.343 -12.726 -4.446 1.00 0.34 O ATOM 348 CB ASP A 22 10.205 -11.574 -6.934 1.00 52.42 C ATOM 349 CG ASP A 22 9.892 -13.057 -6.958 1.00 44.13 C ATOM 350 OD1 ASP A 22 9.014 -13.491 -6.183 1.00 64.33 O ATOM 351 OD2 ASP A 22 10.525 -13.783 -7.753 1.00 22.24 O ATOM 0 H ASP A 22 10.857 -9.148 -6.222 1.00 10.32 H new ATOM 0 HA ASP A 22 9.151 -11.269 -5.087 1.00 75.01 H new ATOM 0 HB2 ASP A 22 9.518 -11.050 -7.598 1.00 52.42 H new ATOM 0 HB3 ASP A 22 11.210 -11.412 -7.323 1.00 52.42 H new ATOM 356 N ALA A 23 12.058 -10.615 -4.140 1.00 1.35 N ATOM 357 CA ALA A 23 13.174 -11.000 -3.284 1.00 74.22 C ATOM 358 C ALA A 23 13.026 -10.405 -1.888 1.00 61.10 C ATOM 359 O ALA A 23 13.612 -10.901 -0.926 1.00 23.03 O ATOM 360 CB ALA A 23 14.492 -10.566 -3.908 1.00 73.34 C ATOM 0 H ALA A 23 11.978 -9.611 -4.303 1.00 1.35 H new ATOM 0 HA ALA A 23 13.170 -12.086 -3.190 1.00 74.22 H new ATOM 0 HB1 ALA A 23 15.316 -10.860 -3.258 1.00 73.34 H new ATOM 0 HB2 ALA A 23 14.609 -11.044 -4.881 1.00 73.34 H new ATOM 0 HB3 ALA A 23 14.496 -9.483 -4.033 1.00 73.34 H new ATOM 366 N VAL A 24 12.240 -9.338 -1.784 1.00 73.44 N ATOM 367 CA VAL A 24 12.015 -8.676 -0.505 1.00 51.33 C ATOM 368 C VAL A 24 10.918 -9.374 0.290 1.00 33.01 C ATOM 369 O VAL A 24 10.921 -9.354 1.521 1.00 74.45 O ATOM 370 CB VAL A 24 11.631 -7.197 -0.699 1.00 41.33 C ATOM 371 CG1 VAL A 24 12.810 -6.406 -1.246 1.00 21.13 C ATOM 372 CG2 VAL A 24 10.425 -7.076 -1.619 1.00 4.21 C ATOM 0 H VAL A 24 11.748 -8.914 -2.571 1.00 73.44 H new ATOM 0 HA VAL A 24 12.952 -8.731 0.049 1.00 51.33 H new ATOM 0 HB VAL A 24 11.363 -6.779 0.271 1.00 41.33 H new ATOM 0 HG11 VAL A 24 12.520 -5.364 -1.376 1.00 21.13 H new ATOM 0 HG12 VAL A 24 13.644 -6.466 -0.547 1.00 21.13 H new ATOM 0 HG13 VAL A 24 13.112 -6.821 -2.207 1.00 21.13 H new ATOM 0 HG21 VAL A 24 10.168 -6.024 -1.745 1.00 4.21 H new ATOM 0 HG22 VAL A 24 10.663 -7.510 -2.590 1.00 4.21 H new ATOM 0 HG23 VAL A 24 9.579 -7.607 -1.182 1.00 4.21 H new ATOM 382 N ALA A 25 9.980 -9.991 -0.421 1.00 63.35 N ATOM 383 CA ALA A 25 8.878 -10.699 0.218 1.00 53.41 C ATOM 384 C ALA A 25 9.393 -11.756 1.189 1.00 50.42 C ATOM 385 O ALA A 25 8.690 -12.155 2.117 1.00 72.33 O ATOM 386 CB ALA A 25 7.980 -11.336 -0.832 1.00 62.42 C ATOM 0 H ALA A 25 9.961 -10.015 -1.441 1.00 63.35 H new ATOM 0 HA ALA A 25 8.295 -9.975 0.787 1.00 53.41 H new ATOM 0 HB1 ALA A 25 7.161 -11.861 -0.340 1.00 62.42 H new ATOM 0 HB2 ALA A 25 7.575 -10.561 -1.483 1.00 62.42 H new ATOM 0 HB3 ALA A 25 8.560 -12.043 -1.426 1.00 62.42 H new ATOM 392 N SER A 26 10.624 -12.205 0.968 1.00 3.13 N ATOM 393 CA SER A 26 11.232 -13.219 1.822 1.00 60.44 C ATOM 394 C SER A 26 11.936 -12.577 3.013 1.00 44.35 C ATOM 395 O SER A 26 12.103 -13.200 4.060 1.00 63.11 O ATOM 396 CB SER A 26 12.227 -14.061 1.020 1.00 74.21 C ATOM 397 OG SER A 26 11.578 -15.149 0.384 1.00 11.11 O ATOM 0 H SER A 26 11.220 -11.883 0.205 1.00 3.13 H new ATOM 0 HA SER A 26 10.439 -13.865 2.197 1.00 60.44 H new ATOM 0 HB2 SER A 26 12.716 -13.437 0.272 1.00 74.21 H new ATOM 0 HB3 SER A 26 13.008 -14.436 1.682 1.00 74.21 H new ATOM 0 HG SER A 26 12.235 -15.670 -0.123 1.00 11.11 H new ATOM 403 N GLY A 27 12.348 -11.324 2.843 1.00 0.32 N ATOM 404 CA GLY A 27 13.030 -10.616 3.911 1.00 32.11 C ATOM 405 C GLY A 27 13.478 -9.229 3.494 1.00 33.32 C ATOM 406 O GLY A 27 14.653 -9.011 3.202 1.00 10.01 O ATOM 0 H GLY A 27 12.222 -10.787 1.985 1.00 0.32 H new ATOM 0 HA2 GLY A 27 12.366 -10.536 4.772 1.00 32.11 H new ATOM 0 HA3 GLY A 27 13.897 -11.194 4.230 1.00 32.11 H new ATOM 410 N ALA A 28 12.538 -8.290 3.465 1.00 42.33 N ATOM 411 CA ALA A 28 12.843 -6.917 3.081 1.00 54.14 C ATOM 412 C ALA A 28 13.627 -6.202 4.175 1.00 11.44 C ATOM 413 O ALA A 28 13.052 -5.494 5.002 1.00 3.24 O ATOM 414 CB ALA A 28 11.560 -6.160 2.767 1.00 65.12 C ATOM 0 H ALA A 28 11.560 -8.455 3.703 1.00 42.33 H new ATOM 0 HA ALA A 28 13.464 -6.945 2.186 1.00 54.14 H new ATOM 0 HB1 ALA A 28 11.802 -5.136 2.482 1.00 65.12 H new ATOM 0 HB2 ALA A 28 11.039 -6.652 1.946 1.00 65.12 H new ATOM 0 HB3 ALA A 28 10.919 -6.149 3.649 1.00 65.12 H new ATOM 420 N SER A 29 14.942 -6.392 4.175 1.00 44.30 N ATOM 421 CA SER A 29 15.805 -5.768 5.171 1.00 2.14 C ATOM 422 C SER A 29 16.985 -5.067 4.506 1.00 43.44 C ATOM 423 O SER A 29 18.072 -4.976 5.078 1.00 1.42 O ATOM 424 CB SER A 29 16.314 -6.815 6.164 1.00 73.30 C ATOM 425 OG SER A 29 16.863 -6.201 7.317 1.00 51.01 O ATOM 0 H SER A 29 15.434 -6.973 3.496 1.00 44.30 H new ATOM 0 HA SER A 29 15.218 -5.023 5.708 1.00 2.14 H new ATOM 0 HB2 SER A 29 15.495 -7.474 6.454 1.00 73.30 H new ATOM 0 HB3 SER A 29 17.070 -7.438 5.685 1.00 73.30 H new ATOM 0 HG SER A 29 17.525 -5.531 7.047 1.00 51.01 H new ATOM 431 N LEU A 30 16.764 -4.572 3.293 1.00 73.43 N ATOM 432 CA LEU A 30 17.808 -3.878 2.547 1.00 71.53 C ATOM 433 C LEU A 30 17.684 -2.367 2.715 1.00 65.43 C ATOM 434 O LEU A 30 16.762 -1.878 3.365 1.00 21.23 O ATOM 435 CB LEU A 30 17.733 -4.246 1.064 1.00 72.12 C ATOM 436 CG LEU A 30 19.019 -4.789 0.441 1.00 62.40 C ATOM 437 CD1 LEU A 30 18.711 -5.948 -0.495 1.00 42.32 C ATOM 438 CD2 LEU A 30 19.761 -3.686 -0.299 1.00 51.21 C ATOM 0 H LEU A 30 15.871 -4.638 2.805 1.00 73.43 H new ATOM 0 HA LEU A 30 18.774 -4.191 2.944 1.00 71.53 H new ATOM 0 HB2 LEU A 30 16.948 -4.991 0.934 1.00 72.12 H new ATOM 0 HB3 LEU A 30 17.428 -3.361 0.506 1.00 72.12 H new ATOM 0 HG LEU A 30 19.661 -5.156 1.242 1.00 62.40 H new ATOM 0 HD11 LEU A 30 19.638 -6.321 -0.929 1.00 42.32 H new ATOM 0 HD12 LEU A 30 18.224 -6.747 0.064 1.00 42.32 H new ATOM 0 HD13 LEU A 30 18.049 -5.607 -1.291 1.00 42.32 H new ATOM 0 HD21 LEU A 30 20.674 -4.091 -0.736 1.00 51.21 H new ATOM 0 HD22 LEU A 30 19.126 -3.288 -1.090 1.00 51.21 H new ATOM 0 HD23 LEU A 30 20.016 -2.888 0.398 1.00 51.21 H new ATOM 450 N GLY A 31 18.620 -1.633 2.121 1.00 2.40 N ATOM 451 CA GLY A 31 18.597 -0.185 2.215 1.00 12.40 C ATOM 452 C GLY A 31 18.921 0.487 0.896 1.00 41.44 C ATOM 453 O GLY A 31 18.367 1.539 0.572 1.00 31.50 O ATOM 0 H GLY A 31 19.393 -2.015 1.577 1.00 2.40 H new ATOM 0 HA2 GLY A 31 17.612 0.138 2.552 1.00 12.40 H new ATOM 0 HA3 GLY A 31 19.314 0.138 2.970 1.00 12.40 H new ATOM 457 N THR A 32 19.824 -0.119 0.130 1.00 14.14 N ATOM 458 CA THR A 32 20.223 0.429 -1.160 1.00 23.42 C ATOM 459 C THR A 32 19.234 0.040 -2.252 1.00 54.33 C ATOM 460 O THR A 32 18.536 0.892 -2.802 1.00 34.13 O ATOM 461 CB THR A 32 21.630 -0.053 -1.563 1.00 1.43 C ATOM 462 OG1 THR A 32 22.571 0.265 -0.531 1.00 14.03 O ATOM 463 CG2 THR A 32 22.068 0.590 -2.870 1.00 71.02 C ATOM 0 H THR A 32 20.292 -0.990 0.381 1.00 14.14 H new ATOM 0 HA THR A 32 20.234 1.514 -1.053 1.00 23.42 H new ATOM 0 HB THR A 32 21.594 -1.134 -1.702 1.00 1.43 H new ATOM 0 HG1 THR A 32 23.462 -0.046 -0.794 1.00 14.03 H new ATOM 0 HG21 THR A 32 23.064 0.235 -3.134 1.00 71.02 H new ATOM 0 HG22 THR A 32 21.366 0.323 -3.660 1.00 71.02 H new ATOM 0 HG23 THR A 32 22.088 1.674 -2.754 1.00 71.02 H new ATOM 471 N ALA A 33 19.178 -1.251 -2.562 1.00 51.22 N ATOM 472 CA ALA A 33 18.271 -1.752 -3.587 1.00 42.15 C ATOM 473 C ALA A 33 16.850 -1.251 -3.355 1.00 74.43 C ATOM 474 O ALA A 33 16.116 -0.973 -4.304 1.00 41.31 O ATOM 475 CB ALA A 33 18.299 -3.273 -3.619 1.00 13.12 C ATOM 0 H ALA A 33 19.750 -1.969 -2.118 1.00 51.22 H new ATOM 0 HA ALA A 33 18.608 -1.374 -4.552 1.00 42.15 H new ATOM 0 HB1 ALA A 33 17.617 -3.633 -4.389 1.00 13.12 H new ATOM 0 HB2 ALA A 33 19.310 -3.614 -3.842 1.00 13.12 H new ATOM 0 HB3 ALA A 33 17.990 -3.663 -2.649 1.00 13.12 H new ATOM 481 N PHE A 34 16.466 -1.140 -2.088 1.00 20.12 N ATOM 482 CA PHE A 34 15.131 -0.675 -1.731 1.00 51.42 C ATOM 483 C PHE A 34 14.999 0.828 -1.964 1.00 35.32 C ATOM 484 O PHE A 34 13.959 1.307 -2.416 1.00 2.34 O ATOM 485 CB PHE A 34 14.827 -1.004 -0.268 1.00 74.34 C ATOM 486 CG PHE A 34 13.373 -1.276 -0.005 1.00 60.10 C ATOM 487 CD1 PHE A 34 12.704 -2.270 -0.700 1.00 75.14 C ATOM 488 CD2 PHE A 34 12.676 -0.538 0.938 1.00 24.12 C ATOM 489 CE1 PHE A 34 11.366 -2.522 -0.460 1.00 51.45 C ATOM 490 CE2 PHE A 34 11.339 -0.785 1.183 1.00 74.42 C ATOM 491 CZ PHE A 34 10.683 -1.779 0.483 1.00 31.31 C ATOM 0 H PHE A 34 17.061 -1.366 -1.291 1.00 20.12 H new ATOM 0 HA PHE A 34 14.412 -1.189 -2.368 1.00 51.42 H new ATOM 0 HB2 PHE A 34 15.411 -1.875 0.029 1.00 74.34 H new ATOM 0 HB3 PHE A 34 15.152 -0.173 0.358 1.00 74.34 H new ATOM 0 HD1 PHE A 34 13.234 -2.855 -1.438 1.00 75.14 H new ATOM 0 HD2 PHE A 34 13.184 0.240 1.488 1.00 24.12 H new ATOM 0 HE1 PHE A 34 10.855 -3.299 -1.009 1.00 51.45 H new ATOM 0 HE2 PHE A 34 10.808 -0.202 1.921 1.00 74.42 H new ATOM 0 HZ PHE A 34 9.638 -1.975 0.673 1.00 31.31 H new ATOM 501 N ALA A 35 16.059 1.565 -1.651 1.00 64.50 N ATOM 502 CA ALA A 35 16.063 3.011 -1.827 1.00 2.51 C ATOM 503 C ALA A 35 16.146 3.385 -3.303 1.00 73.11 C ATOM 504 O ALA A 35 15.779 4.493 -3.694 1.00 61.52 O ATOM 505 CB ALA A 35 17.219 3.634 -1.058 1.00 22.43 C ATOM 0 H ALA A 35 16.927 1.184 -1.274 1.00 64.50 H new ATOM 0 HA ALA A 35 15.125 3.402 -1.432 1.00 2.51 H new ATOM 0 HB1 ALA A 35 17.209 4.715 -1.199 1.00 22.43 H new ATOM 0 HB2 ALA A 35 17.116 3.405 0.003 1.00 22.43 H new ATOM 0 HB3 ALA A 35 18.161 3.229 -1.426 1.00 22.43 H new ATOM 511 N ALA A 36 16.630 2.454 -4.118 1.00 60.51 N ATOM 512 CA ALA A 36 16.759 2.685 -5.551 1.00 63.14 C ATOM 513 C ALA A 36 15.416 2.526 -6.256 1.00 45.14 C ATOM 514 O ALA A 36 15.236 2.995 -7.381 1.00 21.51 O ATOM 515 CB ALA A 36 17.787 1.735 -6.149 1.00 12.02 C ATOM 0 H ALA A 36 16.939 1.532 -3.810 1.00 60.51 H new ATOM 0 HA ALA A 36 17.099 3.710 -5.699 1.00 63.14 H new ATOM 0 HB1 ALA A 36 17.873 1.919 -7.220 1.00 12.02 H new ATOM 0 HB2 ALA A 36 18.754 1.900 -5.674 1.00 12.02 H new ATOM 0 HB3 ALA A 36 17.471 0.705 -5.982 1.00 12.02 H new ATOM 521 N ILE A 37 14.478 1.863 -5.589 1.00 61.24 N ATOM 522 CA ILE A 37 13.152 1.643 -6.153 1.00 11.12 C ATOM 523 C ILE A 37 12.114 2.536 -5.481 1.00 3.11 C ATOM 524 O ILE A 37 11.090 2.872 -6.076 1.00 55.20 O ATOM 525 CB ILE A 37 12.716 0.173 -6.011 1.00 23.32 C ATOM 526 CG1 ILE A 37 12.809 -0.270 -4.549 1.00 61.53 C ATOM 527 CG2 ILE A 37 13.572 -0.721 -6.896 1.00 52.03 C ATOM 528 CD1 ILE A 37 12.097 -1.575 -4.267 1.00 50.11 C ATOM 0 H ILE A 37 14.611 1.469 -4.658 1.00 61.24 H new ATOM 0 HA ILE A 37 13.214 1.894 -7.212 1.00 11.12 H new ATOM 0 HB ILE A 37 11.678 0.084 -6.333 1.00 23.32 H new ATOM 0 HG12 ILE A 37 13.859 -0.372 -4.275 1.00 61.53 H new ATOM 0 HG13 ILE A 37 12.387 0.509 -3.914 1.00 61.53 H new ATOM 0 HG21 ILE A 37 13.252 -1.757 -6.785 1.00 52.03 H new ATOM 0 HG22 ILE A 37 13.461 -0.417 -7.937 1.00 52.03 H new ATOM 0 HG23 ILE A 37 14.618 -0.631 -6.601 1.00 52.03 H new ATOM 0 HD11 ILE A 37 12.204 -1.827 -3.212 1.00 50.11 H new ATOM 0 HD12 ILE A 37 11.039 -1.472 -4.510 1.00 50.11 H new ATOM 0 HD13 ILE A 37 12.534 -2.367 -4.876 1.00 50.11 H new ATOM 540 N LEU A 38 12.387 2.919 -4.239 1.00 2.05 N ATOM 541 CA LEU A 38 11.478 3.776 -3.485 1.00 22.31 C ATOM 542 C LEU A 38 11.923 5.233 -3.551 1.00 40.22 C ATOM 543 O LEU A 38 11.476 6.066 -2.764 1.00 34.12 O ATOM 544 CB LEU A 38 11.406 3.318 -2.027 1.00 1.41 C ATOM 545 CG LEU A 38 10.237 2.401 -1.668 1.00 72.44 C ATOM 546 CD1 LEU A 38 10.523 0.974 -2.110 1.00 63.11 C ATOM 547 CD2 LEU A 38 9.957 2.452 -0.173 1.00 44.14 C ATOM 0 H LEU A 38 13.230 2.650 -3.732 1.00 2.05 H new ATOM 0 HA LEU A 38 10.488 3.697 -3.934 1.00 22.31 H new ATOM 0 HB2 LEU A 38 12.335 2.802 -1.783 1.00 1.41 H new ATOM 0 HB3 LEU A 38 11.356 4.202 -1.392 1.00 1.41 H new ATOM 0 HG LEU A 38 9.350 2.753 -2.195 1.00 72.44 H new ATOM 0 HD11 LEU A 38 9.680 0.335 -1.846 1.00 63.11 H new ATOM 0 HD12 LEU A 38 10.672 0.950 -3.189 1.00 63.11 H new ATOM 0 HD13 LEU A 38 11.422 0.612 -1.612 1.00 63.11 H new ATOM 0 HD21 LEU A 38 9.122 1.793 0.063 1.00 44.14 H new ATOM 0 HD22 LEU A 38 10.842 2.127 0.374 1.00 44.14 H new ATOM 0 HD23 LEU A 38 9.707 3.473 0.116 1.00 44.14 H new ATOM 559 N GLY A 39 12.806 5.535 -4.499 1.00 31.14 N ATOM 560 CA GLY A 39 13.295 6.893 -4.652 1.00 32.32 C ATOM 561 C GLY A 39 12.765 7.562 -5.905 1.00 20.25 C ATOM 562 O GLY A 39 12.883 8.777 -6.066 1.00 31.44 O ATOM 0 H GLY A 39 13.191 4.864 -5.163 1.00 31.14 H new ATOM 0 HA2 GLY A 39 13.006 7.480 -3.780 1.00 32.32 H new ATOM 0 HA3 GLY A 39 14.385 6.882 -4.683 1.00 32.32 H new ATOM 566 N VAL A 40 12.181 6.767 -6.796 1.00 13.41 N ATOM 567 CA VAL A 40 11.631 7.290 -8.041 1.00 64.24 C ATOM 568 C VAL A 40 10.302 7.996 -7.802 1.00 13.20 C ATOM 569 O VAL A 40 9.960 8.954 -8.497 1.00 3.25 O ATOM 570 CB VAL A 40 11.426 6.169 -9.078 1.00 15.13 C ATOM 571 CG1 VAL A 40 10.580 5.049 -8.492 1.00 21.42 C ATOM 572 CG2 VAL A 40 10.788 6.724 -10.342 1.00 54.13 C ATOM 0 H VAL A 40 12.077 5.759 -6.679 1.00 13.41 H new ATOM 0 HA VAL A 40 12.354 8.007 -8.430 1.00 64.24 H new ATOM 0 HB VAL A 40 12.400 5.757 -9.341 1.00 15.13 H new ATOM 0 HG11 VAL A 40 10.445 4.266 -9.238 1.00 21.42 H new ATOM 0 HG12 VAL A 40 11.081 4.634 -7.617 1.00 21.42 H new ATOM 0 HG13 VAL A 40 9.607 5.443 -8.200 1.00 21.42 H new ATOM 0 HG21 VAL A 40 10.650 5.919 -11.064 1.00 54.13 H new ATOM 0 HG22 VAL A 40 9.820 7.163 -10.099 1.00 54.13 H new ATOM 0 HG23 VAL A 40 11.436 7.489 -10.771 1.00 54.13 H new ATOM 582 N THR A 41 9.553 7.517 -6.813 1.00 40.42 N ATOM 583 CA THR A 41 8.260 8.102 -6.482 1.00 11.14 C ATOM 584 C THR A 41 8.075 8.208 -4.972 1.00 61.12 C ATOM 585 O THR A 41 7.564 9.209 -4.468 1.00 22.34 O ATOM 586 CB THR A 41 7.102 7.276 -7.073 1.00 12.05 C ATOM 587 OG1 THR A 41 5.851 7.753 -6.565 1.00 53.52 O ATOM 588 CG2 THR A 41 7.262 5.801 -6.735 1.00 51.34 C ATOM 0 H THR A 41 9.820 6.726 -6.228 1.00 40.42 H new ATOM 0 HA THR A 41 8.244 9.101 -6.918 1.00 11.14 H new ATOM 0 HB THR A 41 7.121 7.389 -8.157 1.00 12.05 H new ATOM 0 HG1 THR A 41 5.120 7.224 -6.947 1.00 53.52 H new ATOM 0 HG21 THR A 41 6.433 5.238 -7.163 1.00 51.34 H new ATOM 0 HG22 THR A 41 8.202 5.433 -7.147 1.00 51.34 H new ATOM 0 HG23 THR A 41 7.267 5.674 -5.652 1.00 51.34 H new ATOM 596 N LEU A 42 8.494 7.171 -4.256 1.00 32.25 N ATOM 597 CA LEU A 42 8.375 7.147 -2.802 1.00 2.43 C ATOM 598 C LEU A 42 9.405 8.069 -2.156 1.00 51.35 C ATOM 599 O LEU A 42 10.413 8.435 -2.762 1.00 32.33 O ATOM 600 CB LEU A 42 8.552 5.721 -2.279 1.00 23.13 C ATOM 601 CG LEU A 42 7.288 4.861 -2.232 1.00 5.53 C ATOM 602 CD1 LEU A 42 7.194 3.982 -3.469 1.00 44.41 C ATOM 603 CD2 LEU A 42 7.268 4.012 -0.969 1.00 53.21 C ATOM 0 H LEU A 42 8.919 6.336 -4.658 1.00 32.25 H new ATOM 0 HA LEU A 42 7.379 7.503 -2.538 1.00 2.43 H new ATOM 0 HB2 LEU A 42 9.288 5.215 -2.904 1.00 23.13 H new ATOM 0 HB3 LEU A 42 8.969 5.773 -1.273 1.00 23.13 H new ATOM 0 HG LEU A 42 6.422 5.522 -2.215 1.00 5.53 H new ATOM 0 HD11 LEU A 42 6.288 3.377 -3.418 1.00 44.41 H new ATOM 0 HD12 LEU A 42 7.161 4.610 -4.360 1.00 44.41 H new ATOM 0 HD13 LEU A 42 8.065 3.328 -3.518 1.00 44.41 H new ATOM 0 HD21 LEU A 42 6.362 3.406 -0.952 1.00 53.21 H new ATOM 0 HD22 LEU A 42 8.141 3.359 -0.955 1.00 53.21 H new ATOM 0 HD23 LEU A 42 7.287 4.661 -0.094 1.00 53.21 H new ATOM 615 N PRO A 43 9.149 8.454 -0.897 1.00 74.32 N ATOM 616 CA PRO A 43 10.043 9.335 -0.141 1.00 51.41 C ATOM 617 C PRO A 43 11.354 8.651 0.231 1.00 73.14 C ATOM 618 O PRO A 43 11.643 7.549 -0.235 1.00 21.04 O ATOM 619 CB PRO A 43 9.236 9.665 1.117 1.00 31.42 C ATOM 620 CG PRO A 43 8.300 8.517 1.278 1.00 74.02 C ATOM 621 CD PRO A 43 7.966 8.057 -0.114 1.00 63.43 C ATOM 0 HA PRO A 43 10.335 10.212 -0.719 1.00 51.41 H new ATOM 0 HB2 PRO A 43 9.884 9.772 1.987 1.00 31.42 H new ATOM 0 HB3 PRO A 43 8.695 10.605 1.005 1.00 31.42 H new ATOM 0 HG2 PRO A 43 8.762 7.715 1.854 1.00 74.02 H new ATOM 0 HG3 PRO A 43 7.401 8.819 1.816 1.00 74.02 H new ATOM 0 HD2 PRO A 43 7.801 6.980 -0.153 1.00 63.43 H new ATOM 0 HD3 PRO A 43 7.059 8.532 -0.487 1.00 63.43 H new ATOM 629 N ALA A 44 12.143 9.311 1.072 1.00 32.11 N ATOM 630 CA ALA A 44 13.422 8.764 1.508 1.00 12.30 C ATOM 631 C ALA A 44 13.339 8.251 2.942 1.00 45.23 C ATOM 632 O ALA A 44 14.048 7.318 3.318 1.00 22.13 O ATOM 633 CB ALA A 44 14.515 9.815 1.383 1.00 11.35 C ATOM 0 H ALA A 44 11.919 10.225 1.465 1.00 32.11 H new ATOM 0 HA ALA A 44 13.669 7.921 0.862 1.00 12.30 H new ATOM 0 HB1 ALA A 44 15.465 9.393 1.712 1.00 11.35 H new ATOM 0 HB2 ALA A 44 14.599 10.131 0.343 1.00 11.35 H new ATOM 0 HB3 ALA A 44 14.265 10.675 2.004 1.00 11.35 H new ATOM 639 N TRP A 45 12.472 8.867 3.736 1.00 34.12 N ATOM 640 CA TRP A 45 12.298 8.472 5.130 1.00 51.15 C ATOM 641 C TRP A 45 11.669 7.087 5.228 1.00 34.14 C ATOM 642 O TRP A 45 11.971 6.322 6.143 1.00 22.43 O ATOM 643 CB TRP A 45 11.430 9.494 5.866 1.00 21.22 C ATOM 644 CG TRP A 45 10.016 9.539 5.372 1.00 70.44 C ATOM 645 CD1 TRP A 45 9.498 10.399 4.446 1.00 2.33 C ATOM 646 CD2 TRP A 45 8.939 8.687 5.778 1.00 53.52 C ATOM 647 NE1 TRP A 45 8.164 10.135 4.253 1.00 71.52 N ATOM 648 CE2 TRP A 45 7.797 9.088 5.057 1.00 14.42 C ATOM 649 CE3 TRP A 45 8.828 7.625 6.678 1.00 21.42 C ATOM 650 CZ2 TRP A 45 6.562 8.464 5.212 1.00 60.31 C ATOM 651 CZ3 TRP A 45 7.602 7.006 6.831 1.00 70.11 C ATOM 652 CH2 TRP A 45 6.482 7.426 6.100 1.00 24.04 C ATOM 0 H TRP A 45 11.878 9.642 3.440 1.00 34.12 H new ATOM 0 HA TRP A 45 13.282 8.437 5.598 1.00 51.15 H new ATOM 0 HB2 TRP A 45 11.428 9.259 6.930 1.00 21.22 H new ATOM 0 HB3 TRP A 45 11.876 10.483 5.759 1.00 21.22 H new ATOM 0 HD1 TRP A 45 10.056 11.173 3.940 1.00 2.33 H new ATOM 0 HE1 TRP A 45 7.547 10.637 3.615 1.00 71.52 H new ATOM 0 HE3 TRP A 45 9.685 7.293 7.245 1.00 21.42 H new ATOM 0 HZ2 TRP A 45 5.698 8.788 4.651 1.00 60.31 H new ATOM 0 HZ3 TRP A 45 7.505 6.185 7.526 1.00 70.11 H new ATOM 0 HH2 TRP A 45 5.538 6.921 6.240 1.00 24.04 H new ATOM 663 N ALA A 46 10.792 6.771 4.281 1.00 70.22 N ATOM 664 CA ALA A 46 10.122 5.476 4.261 1.00 42.42 C ATOM 665 C ALA A 46 11.133 4.335 4.276 1.00 21.12 C ATOM 666 O ALA A 46 10.830 3.230 4.728 1.00 62.31 O ATOM 667 CB ALA A 46 9.219 5.368 3.041 1.00 45.12 C ATOM 0 H ALA A 46 10.529 7.394 3.517 1.00 70.22 H new ATOM 0 HA ALA A 46 9.511 5.397 5.160 1.00 42.42 H new ATOM 0 HB1 ALA A 46 8.725 4.396 3.039 1.00 45.12 H new ATOM 0 HB2 ALA A 46 8.468 6.157 3.074 1.00 45.12 H new ATOM 0 HB3 ALA A 46 9.817 5.473 2.136 1.00 45.12 H new ATOM 673 N LEU A 47 12.335 4.608 3.780 1.00 54.22 N ATOM 674 CA LEU A 47 13.391 3.603 3.736 1.00 40.21 C ATOM 675 C LEU A 47 13.867 3.252 5.142 1.00 72.52 C ATOM 676 O LEU A 47 14.206 2.103 5.424 1.00 63.34 O ATOM 677 CB LEU A 47 14.567 4.108 2.898 1.00 24.43 C ATOM 678 CG LEU A 47 14.209 4.770 1.568 1.00 53.32 C ATOM 679 CD1 LEU A 47 15.441 5.395 0.933 1.00 5.01 C ATOM 680 CD2 LEU A 47 13.574 3.760 0.623 1.00 50.30 C ATOM 0 H LEU A 47 12.602 5.517 3.403 1.00 54.22 H new ATOM 0 HA LEU A 47 12.984 2.703 3.275 1.00 40.21 H new ATOM 0 HB2 LEU A 47 15.132 4.823 3.496 1.00 24.43 H new ATOM 0 HB3 LEU A 47 15.230 3.267 2.695 1.00 24.43 H new ATOM 0 HG LEU A 47 13.485 5.561 1.762 1.00 53.32 H new ATOM 0 HD11 LEU A 47 15.166 5.861 -0.013 1.00 5.01 H new ATOM 0 HD12 LEU A 47 15.853 6.150 1.603 1.00 5.01 H new ATOM 0 HD13 LEU A 47 16.189 4.623 0.753 1.00 5.01 H new ATOM 0 HD21 LEU A 47 13.326 4.249 -0.319 1.00 50.30 H new ATOM 0 HD22 LEU A 47 14.275 2.946 0.436 1.00 50.30 H new ATOM 0 HD23 LEU A 47 12.666 3.360 1.075 1.00 50.30 H new ATOM 692 N ALA A 48 13.887 4.248 6.021 1.00 53.12 N ATOM 693 CA ALA A 48 14.316 4.043 7.398 1.00 4.24 C ATOM 694 C ALA A 48 13.302 3.207 8.171 1.00 23.41 C ATOM 695 O ALA A 48 13.650 2.530 9.138 1.00 22.31 O ATOM 696 CB ALA A 48 14.534 5.382 8.088 1.00 22.10 C ATOM 0 H ALA A 48 13.611 5.206 5.803 1.00 53.12 H new ATOM 0 HA ALA A 48 15.259 3.497 7.381 1.00 4.24 H new ATOM 0 HB1 ALA A 48 14.854 5.214 9.116 1.00 22.10 H new ATOM 0 HB2 ALA A 48 15.301 5.945 7.556 1.00 22.10 H new ATOM 0 HB3 ALA A 48 13.603 5.948 8.086 1.00 22.10 H new ATOM 702 N ALA A 49 12.047 3.259 7.739 1.00 72.14 N ATOM 703 CA ALA A 49 10.983 2.505 8.389 1.00 34.33 C ATOM 704 C ALA A 49 10.955 1.061 7.901 1.00 63.55 C ATOM 705 O ALA A 49 10.481 0.167 8.602 1.00 45.04 O ATOM 706 CB ALA A 49 9.637 3.172 8.145 1.00 43.21 C ATOM 0 H ALA A 49 11.742 3.816 6.941 1.00 72.14 H new ATOM 0 HA ALA A 49 11.183 2.495 9.461 1.00 34.33 H new ATOM 0 HB1 ALA A 49 8.852 2.598 8.637 1.00 43.21 H new ATOM 0 HB2 ALA A 49 9.654 4.184 8.550 1.00 43.21 H new ATOM 0 HB3 ALA A 49 9.440 3.213 7.074 1.00 43.21 H new ATOM 712 N ALA A 50 11.466 0.839 6.694 1.00 52.44 N ATOM 713 CA ALA A 50 11.501 -0.497 6.112 1.00 52.30 C ATOM 714 C ALA A 50 12.238 -1.473 7.022 1.00 3.45 C ATOM 715 O ALA A 50 12.002 -2.679 6.976 1.00 23.14 O ATOM 716 CB ALA A 50 12.154 -0.457 4.738 1.00 35.42 C ATOM 0 H ALA A 50 11.862 1.568 6.100 1.00 52.44 H new ATOM 0 HA ALA A 50 10.474 -0.847 6.004 1.00 52.30 H new ATOM 0 HB1 ALA A 50 12.173 -1.461 4.315 1.00 35.42 H new ATOM 0 HB2 ALA A 50 11.583 0.202 4.083 1.00 35.42 H new ATOM 0 HB3 ALA A 50 13.173 -0.082 4.830 1.00 35.42 H new ATOM 722 N GLY A 51 13.134 -0.942 7.850 1.00 52.22 N ATOM 723 CA GLY A 51 13.893 -1.781 8.759 1.00 51.33 C ATOM 724 C GLY A 51 13.005 -2.682 9.594 1.00 42.20 C ATOM 725 O GLY A 51 13.170 -3.901 9.592 1.00 22.31 O ATOM 0 H GLY A 51 13.347 0.054 7.907 1.00 52.22 H new ATOM 0 HA2 GLY A 51 14.591 -2.393 8.187 1.00 51.33 H new ATOM 0 HA3 GLY A 51 14.489 -1.150 9.419 1.00 51.33 H new ATOM 729 N ALA A 52 12.062 -2.080 10.311 1.00 31.44 N ATOM 730 CA ALA A 52 11.145 -2.837 11.155 1.00 52.21 C ATOM 731 C ALA A 52 9.763 -2.931 10.517 1.00 62.45 C ATOM 732 O ALA A 52 9.250 -4.026 10.281 1.00 24.42 O ATOM 733 CB ALA A 52 11.049 -2.200 12.534 1.00 70.35 C ATOM 0 H ALA A 52 11.913 -1.071 10.325 1.00 31.44 H new ATOM 0 HA ALA A 52 11.538 -3.848 11.260 1.00 52.21 H new ATOM 0 HB1 ALA A 52 10.361 -2.775 13.153 1.00 70.35 H new ATOM 0 HB2 ALA A 52 12.035 -2.190 12.999 1.00 70.35 H new ATOM 0 HB3 ALA A 52 10.682 -1.178 12.438 1.00 70.35 H new ATOM 739 N LEU A 53 9.165 -1.778 10.239 1.00 32.40 N ATOM 740 CA LEU A 53 7.841 -1.731 9.628 1.00 71.10 C ATOM 741 C LEU A 53 7.675 -0.470 8.786 1.00 34.11 C ATOM 742 O LEU A 53 7.779 0.646 9.294 1.00 73.34 O ATOM 743 CB LEU A 53 6.758 -1.785 10.707 1.00 55.45 C ATOM 744 CG LEU A 53 6.441 -3.170 11.272 1.00 51.43 C ATOM 745 CD1 LEU A 53 5.484 -3.060 12.449 1.00 40.13 C ATOM 746 CD2 LEU A 53 5.858 -4.067 10.190 1.00 53.44 C ATOM 0 H LEU A 53 9.576 -0.863 10.427 1.00 32.40 H new ATOM 0 HA LEU A 53 7.737 -2.598 8.975 1.00 71.10 H new ATOM 0 HB2 LEU A 53 7.062 -1.139 11.531 1.00 55.45 H new ATOM 0 HB3 LEU A 53 5.841 -1.365 10.294 1.00 55.45 H new ATOM 0 HG LEU A 53 7.369 -3.618 11.626 1.00 51.43 H new ATOM 0 HD11 LEU A 53 5.270 -4.055 12.838 1.00 40.13 H new ATOM 0 HD12 LEU A 53 5.939 -2.454 13.233 1.00 40.13 H new ATOM 0 HD13 LEU A 53 4.556 -2.591 12.121 1.00 40.13 H new ATOM 0 HD21 LEU A 53 5.639 -5.048 10.610 1.00 53.44 H new ATOM 0 HD22 LEU A 53 4.940 -3.623 9.805 1.00 53.44 H new ATOM 0 HD23 LEU A 53 6.578 -4.173 9.378 1.00 53.44 H new ATOM 758 N GLY A 54 7.413 -0.656 7.496 1.00 61.23 N ATOM 759 CA GLY A 54 7.234 0.475 6.604 1.00 21.04 C ATOM 760 C GLY A 54 5.931 0.406 5.834 1.00 35.41 C ATOM 761 O GLY A 54 4.852 0.534 6.413 1.00 42.41 O ATOM 0 H GLY A 54 7.321 -1.570 7.052 1.00 61.23 H new ATOM 0 HA2 GLY A 54 7.262 1.398 7.183 1.00 21.04 H new ATOM 0 HA3 GLY A 54 8.066 0.514 5.901 1.00 21.04 H new ATOM 765 N ALA A 55 6.029 0.203 4.524 1.00 10.23 N ATOM 766 CA ALA A 55 4.848 0.117 3.674 1.00 64.23 C ATOM 767 C ALA A 55 3.959 -1.051 4.086 1.00 32.03 C ATOM 768 O ALA A 55 4.250 -2.207 3.777 1.00 53.05 O ATOM 769 CB ALA A 55 5.258 -0.019 2.215 1.00 51.23 C ATOM 0 H ALA A 55 6.914 0.095 4.029 1.00 10.23 H new ATOM 0 HA ALA A 55 4.275 1.036 3.796 1.00 64.23 H new ATOM 0 HB1 ALA A 55 4.367 -0.082 1.591 1.00 51.23 H new ATOM 0 HB2 ALA A 55 5.847 0.850 1.920 1.00 51.23 H new ATOM 0 HB3 ALA A 55 5.855 -0.922 2.087 1.00 51.23 H new ATOM 775 N THR A 56 2.873 -0.743 4.788 1.00 14.41 N ATOM 776 CA THR A 56 1.942 -1.767 5.245 1.00 55.51 C ATOM 777 C THR A 56 1.049 -2.245 4.106 1.00 72.52 C ATOM 778 O THR A 56 -0.171 -2.094 4.155 1.00 14.31 O ATOM 779 CB THR A 56 1.055 -1.248 6.393 1.00 24.12 C ATOM 780 OG1 THR A 56 0.070 -2.230 6.734 1.00 64.14 O ATOM 781 CG2 THR A 56 0.369 0.052 6.002 1.00 32.14 C ATOM 0 H THR A 56 2.617 0.208 5.053 1.00 14.41 H new ATOM 0 HA THR A 56 2.543 -2.601 5.608 1.00 55.51 H new ATOM 0 HB THR A 56 1.692 -1.058 7.257 1.00 24.12 H new ATOM 0 HG1 THR A 56 -0.573 -2.317 5.999 1.00 64.14 H new ATOM 0 HG21 THR A 56 -0.252 0.399 6.828 1.00 32.14 H new ATOM 0 HG22 THR A 56 1.122 0.806 5.772 1.00 32.14 H new ATOM 0 HG23 THR A 56 -0.256 -0.116 5.125 1.00 32.14 H new ATOM 789 N ALA A 57 1.665 -2.825 3.081 1.00 41.02 N ATOM 790 CA ALA A 57 0.925 -3.329 1.930 1.00 2.24 C ATOM 791 C ALA A 57 0.235 -2.194 1.181 1.00 3.34 C ATOM 792 O ALA A 57 -0.750 -2.411 0.477 1.00 13.03 O ATOM 793 CB ALA A 57 -0.094 -4.368 2.372 1.00 31.34 C ATOM 0 H ALA A 57 2.675 -2.958 3.024 1.00 41.02 H new ATOM 0 HA ALA A 57 1.635 -3.799 1.250 1.00 2.24 H new ATOM 0 HB1 ALA A 57 -0.639 -4.736 1.503 1.00 31.34 H new ATOM 0 HB2 ALA A 57 0.420 -5.199 2.856 1.00 31.34 H new ATOM 0 HB3 ALA A 57 -0.794 -3.915 3.074 1.00 31.34 H new ATOM 799 N ALA A 58 0.759 -0.983 1.339 1.00 43.42 N ATOM 800 CA ALA A 58 0.194 0.186 0.676 1.00 2.32 C ATOM 801 C ALA A 58 0.573 0.217 -0.801 1.00 34.33 C ATOM 802 O ALA A 58 -0.295 0.288 -1.672 1.00 62.32 O ATOM 803 CB ALA A 58 0.657 1.460 1.368 1.00 53.11 C ATOM 0 H ALA A 58 1.574 -0.786 1.920 1.00 43.42 H new ATOM 0 HA ALA A 58 -0.892 0.122 0.744 1.00 2.32 H new ATOM 0 HB1 ALA A 58 0.228 2.325 0.863 1.00 53.11 H new ATOM 0 HB2 ALA A 58 0.331 1.448 2.408 1.00 53.11 H new ATOM 0 HB3 ALA A 58 1.745 1.520 1.330 1.00 53.11 H new