USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, 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 Single : A 1 ILE N :NH3+ -136:sc= -0.148 (180deg=-1.24) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 11 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.094) USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.639 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 -2:sc= 0.795 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 -74:sc= 0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.737 -0.960 0.789 1.00 64.54 N ATOM 2 CA ILE A 1 2.334 -0.779 -0.529 1.00 75.21 C ATOM 3 C ILE A 1 1.822 -1.826 -1.513 1.00 21.33 C ATOM 4 O ILE A 1 1.740 -1.576 -2.715 1.00 44.24 O ATOM 5 CB ILE A 1 3.870 -0.857 -0.467 1.00 44.32 C ATOM 6 CG1 ILE A 1 4.420 0.221 0.470 1.00 72.30 C ATOM 7 CG2 ILE A 1 4.465 -0.708 -1.860 1.00 33.32 C ATOM 8 CD1 ILE A 1 4.143 1.631 -0.002 1.00 74.21 C ATOM 0 H1 ILE A 1 1.449 -0.036 1.169 1.00 64.54 H new ATOM 0 H3 ILE A 1 2.432 -1.396 1.428 1.00 64.54 H new ATOM 0 HA ILE A 1 2.043 0.213 -0.874 1.00 75.21 H new ATOM 0 HB ILE A 1 4.153 -1.833 -0.074 1.00 44.32 H new ATOM 0 HG12 ILE A 1 3.985 0.086 1.460 1.00 72.30 H new ATOM 0 HG13 ILE A 1 5.497 0.086 0.573 1.00 72.30 H new ATOM 0 HG21 ILE A 1 5.552 -0.765 -1.799 1.00 33.32 H new ATOM 0 HG22 ILE A 1 4.095 -1.508 -2.501 1.00 33.32 H new ATOM 0 HG23 ILE A 1 4.175 0.256 -2.278 1.00 33.32 H new ATOM 0 HD11 ILE A 1 4.561 2.342 0.711 1.00 74.21 H new ATOM 0 HD12 ILE A 1 4.601 1.784 -0.979 1.00 74.21 H new ATOM 0 HD13 ILE A 1 3.067 1.784 -0.078 1.00 74.21 H new ATOM 20 N TYR A 2 1.477 -2.999 -0.993 1.00 63.12 N ATOM 21 CA TYR A 2 0.974 -4.085 -1.825 1.00 72.44 C ATOM 22 C TYR A 2 -0.494 -3.866 -2.178 1.00 33.34 C ATOM 23 O TYR A 2 -1.076 -4.620 -2.958 1.00 41.11 O ATOM 24 CB TYR A 2 1.143 -5.426 -1.108 1.00 43.15 C ATOM 25 CG TYR A 2 2.563 -5.947 -1.127 1.00 34.04 C ATOM 26 CD1 TYR A 2 3.491 -5.524 -0.183 1.00 34.23 C ATOM 27 CD2 TYR A 2 2.976 -6.861 -2.088 1.00 31.13 C ATOM 28 CE1 TYR A 2 4.789 -5.997 -0.196 1.00 34.04 C ATOM 29 CE2 TYR A 2 4.271 -7.340 -2.107 1.00 63.43 C ATOM 30 CZ TYR A 2 5.174 -6.905 -1.159 1.00 70.35 C ATOM 31 OH TYR A 2 6.466 -7.379 -1.177 1.00 33.25 O ATOM 0 H TYR A 2 1.537 -3.222 0.001 1.00 63.12 H new ATOM 0 HA TYR A 2 1.553 -4.099 -2.748 1.00 72.44 H new ATOM 0 HB2 TYR A 2 0.818 -5.319 -0.073 1.00 43.15 H new ATOM 0 HB3 TYR A 2 0.488 -6.163 -1.573 1.00 43.15 H new ATOM 0 HD1 TYR A 2 3.192 -4.813 0.574 1.00 34.23 H new ATOM 0 HD2 TYR A 2 2.273 -7.203 -2.833 1.00 31.13 H new ATOM 0 HE1 TYR A 2 5.498 -5.657 0.544 1.00 34.04 H new ATOM 0 HE2 TYR A 2 4.575 -8.052 -2.860 1.00 63.43 H new ATOM 0 HH TYR A 2 6.572 -8.011 -1.918 1.00 33.25 H new ATOM 41 N TRP A 3 -1.086 -2.829 -1.597 1.00 35.23 N ATOM 42 CA TRP A 3 -2.487 -2.509 -1.849 1.00 20.21 C ATOM 43 C TRP A 3 -2.612 -1.267 -2.724 1.00 15.10 C ATOM 44 O TRP A 3 -3.564 -1.133 -3.494 1.00 62.03 O ATOM 45 CB TRP A 3 -3.228 -2.295 -0.528 1.00 53.13 C ATOM 46 CG TRP A 3 -4.684 -1.985 -0.708 1.00 3.05 C ATOM 47 CD1 TRP A 3 -5.705 -2.884 -0.819 1.00 74.32 C ATOM 48 CD2 TRP A 3 -5.278 -0.686 -0.798 1.00 14.23 C ATOM 49 NE1 TRP A 3 -6.900 -2.222 -0.973 1.00 64.34 N ATOM 50 CE2 TRP A 3 -6.665 -0.873 -0.963 1.00 2.24 C ATOM 51 CE3 TRP A 3 -4.775 0.617 -0.753 1.00 53.20 C ATOM 52 CZ2 TRP A 3 -7.550 0.195 -1.084 1.00 34.32 C ATOM 53 CZ3 TRP A 3 -5.656 1.676 -0.874 1.00 25.41 C ATOM 54 CH2 TRP A 3 -7.030 1.460 -1.037 1.00 34.42 C ATOM 0 H TRP A 3 -0.619 -2.195 -0.949 1.00 35.23 H new ATOM 0 HA TRP A 3 -2.937 -3.349 -2.377 1.00 20.21 H new ATOM 0 HB2 TRP A 3 -3.127 -3.190 0.086 1.00 53.13 H new ATOM 0 HB3 TRP A 3 -2.755 -1.479 0.018 1.00 53.13 H new ATOM 0 HD1 TRP A 3 -5.591 -3.958 -0.790 1.00 74.32 H new ATOM 0 HE1 TRP A 3 -7.813 -2.664 -1.078 1.00 64.34 H new ATOM 0 HE3 TRP A 3 -3.717 0.794 -0.626 1.00 53.20 H new ATOM 0 HZ2 TRP A 3 -8.610 0.031 -1.211 1.00 34.32 H new ATOM 0 HZ3 TRP A 3 -5.278 2.687 -0.842 1.00 25.41 H new ATOM 0 HH2 TRP A 3 -7.692 2.308 -1.127 1.00 34.42 H new ATOM 65 N ILE A 4 -1.648 -0.362 -2.601 1.00 3.34 N ATOM 66 CA ILE A 4 -1.651 0.869 -3.382 1.00 60.21 C ATOM 67 C ILE A 4 -1.255 0.601 -4.830 1.00 43.41 C ATOM 68 O ILE A 4 -1.749 1.253 -5.750 1.00 21.51 O ATOM 69 CB ILE A 4 -0.694 1.917 -2.785 1.00 40.40 C ATOM 70 CG1 ILE A 4 -1.212 2.398 -1.428 1.00 1.21 C ATOM 71 CG2 ILE A 4 -0.530 3.090 -3.741 1.00 24.51 C ATOM 72 CD1 ILE A 4 -0.274 2.093 -0.281 1.00 11.52 C ATOM 0 H ILE A 4 -0.854 -0.458 -1.968 1.00 3.34 H new ATOM 0 HA ILE A 4 -2.668 1.260 -3.352 1.00 60.21 H new ATOM 0 HB ILE A 4 0.282 1.454 -2.637 1.00 40.40 H new ATOM 0 HG12 ILE A 4 -1.380 3.474 -1.473 1.00 1.21 H new ATOM 0 HG13 ILE A 4 -2.178 1.932 -1.231 1.00 1.21 H new ATOM 0 HG21 ILE A 4 0.149 3.822 -3.305 1.00 24.51 H new ATOM 0 HG22 ILE A 4 -0.122 2.734 -4.687 1.00 24.51 H new ATOM 0 HG23 ILE A 4 -1.500 3.555 -3.917 1.00 24.51 H new ATOM 0 HD11 ILE A 4 -0.705 2.462 0.650 1.00 11.52 H new ATOM 0 HD12 ILE A 4 -0.125 1.016 -0.210 1.00 11.52 H new ATOM 0 HD13 ILE A 4 0.685 2.581 -0.455 1.00 11.52 H new ATOM 84 N ALA A 5 -0.361 -0.362 -5.025 1.00 24.52 N ATOM 85 CA ALA A 5 0.099 -0.719 -6.361 1.00 63.22 C ATOM 86 C ALA A 5 -1.039 -1.291 -7.199 1.00 71.11 C ATOM 87 O ALA A 5 -0.935 -1.387 -8.422 1.00 62.50 O ATOM 88 CB ALA A 5 1.247 -1.715 -6.276 1.00 55.02 C ATOM 0 H ALA A 5 0.060 -0.909 -4.274 1.00 24.52 H new ATOM 0 HA ALA A 5 0.455 0.188 -6.850 1.00 63.22 H new ATOM 0 HB1 ALA A 5 1.580 -1.973 -7.281 1.00 55.02 H new ATOM 0 HB2 ALA A 5 2.074 -1.271 -5.722 1.00 55.02 H new ATOM 0 HB3 ALA A 5 0.910 -2.616 -5.764 1.00 55.02 H new ATOM 94 N ASP A 6 -2.125 -1.670 -6.534 1.00 2.33 N ATOM 95 CA ASP A 6 -3.283 -2.232 -7.218 1.00 34.23 C ATOM 96 C ASP A 6 -4.269 -1.135 -7.609 1.00 64.34 C ATOM 97 O ASP A 6 -4.387 -0.785 -8.783 1.00 70.42 O ATOM 98 CB ASP A 6 -3.977 -3.264 -6.327 1.00 12.22 C ATOM 99 CG ASP A 6 -3.367 -4.645 -6.458 1.00 33.53 C ATOM 100 OD1 ASP A 6 -2.293 -4.763 -7.084 1.00 73.43 O ATOM 101 OD2 ASP A 6 -3.963 -5.609 -5.933 1.00 15.12 O ATOM 0 H ASP A 6 -2.227 -1.598 -5.522 1.00 2.33 H new ATOM 0 HA ASP A 6 -2.934 -2.723 -8.127 1.00 34.23 H new ATOM 0 HB2 ASP A 6 -3.918 -2.941 -5.288 1.00 12.22 H new ATOM 0 HB3 ASP A 6 -5.035 -3.311 -6.586 1.00 12.22 H new ATOM 106 N GLN A 7 -4.973 -0.598 -6.619 1.00 33.55 N ATOM 107 CA GLN A 7 -5.949 0.457 -6.861 1.00 15.22 C ATOM 108 C GLN A 7 -5.331 1.596 -7.665 1.00 75.03 C ATOM 109 O GLN A 7 -5.752 1.876 -8.788 1.00 11.30 O ATOM 110 CB GLN A 7 -6.494 0.991 -5.535 1.00 34.11 C ATOM 111 CG GLN A 7 -7.152 -0.075 -4.674 1.00 75.42 C ATOM 112 CD GLN A 7 -8.552 -0.421 -5.142 1.00 74.10 C ATOM 113 OE1 GLN A 7 -8.731 -1.107 -6.149 1.00 33.44 O ATOM 114 NE2 GLN A 7 -9.555 0.054 -4.412 1.00 21.41 N ATOM 0 H GLN A 7 -4.886 -0.876 -5.642 1.00 33.55 H new ATOM 0 HA GLN A 7 -6.770 0.032 -7.439 1.00 15.22 H new ATOM 0 HB2 GLN A 7 -5.678 1.447 -4.974 1.00 34.11 H new ATOM 0 HB3 GLN A 7 -7.219 1.779 -5.741 1.00 34.11 H new ATOM 0 HG2 GLN A 7 -6.537 -0.975 -4.683 1.00 75.42 H new ATOM 0 HG3 GLN A 7 -7.193 0.272 -3.641 1.00 75.42 H new ATOM 0 HE21 GLN A 7 -9.361 0.618 -3.585 1.00 21.41 H new ATOM 0 HE22 GLN A 7 -10.519 -0.146 -4.679 1.00 21.41 H new ATOM 123 N PHE A 8 -4.331 2.250 -7.084 1.00 71.40 N ATOM 124 CA PHE A 8 -3.656 3.359 -7.746 1.00 44.35 C ATOM 125 C PHE A 8 -2.654 2.849 -8.778 1.00 21.41 C ATOM 126 O PHE A 8 -2.858 2.993 -9.982 1.00 74.54 O ATOM 127 CB PHE A 8 -2.942 4.237 -6.717 1.00 3.43 C ATOM 128 CG PHE A 8 -3.827 4.675 -5.585 1.00 52.12 C ATOM 129 CD1 PHE A 8 -4.016 3.860 -4.481 1.00 0.33 C ATOM 130 CD2 PHE A 8 -4.471 5.901 -5.626 1.00 52.25 C ATOM 131 CE1 PHE A 8 -4.830 4.260 -3.437 1.00 41.15 C ATOM 132 CE2 PHE A 8 -5.286 6.307 -4.586 1.00 61.52 C ATOM 133 CZ PHE A 8 -5.466 5.485 -3.491 1.00 75.50 C ATOM 0 H PHE A 8 -3.970 2.031 -6.155 1.00 71.40 H new ATOM 0 HA PHE A 8 -4.410 3.954 -8.261 1.00 44.35 H new ATOM 0 HB2 PHE A 8 -2.091 3.689 -6.311 1.00 3.43 H new ATOM 0 HB3 PHE A 8 -2.543 5.119 -7.218 1.00 3.43 H new ATOM 0 HD1 PHE A 8 -3.522 2.901 -4.435 1.00 0.33 H new ATOM 0 HD2 PHE A 8 -4.335 6.547 -6.481 1.00 52.25 H new ATOM 0 HE1 PHE A 8 -4.968 3.616 -2.581 1.00 41.15 H new ATOM 0 HE2 PHE A 8 -5.781 7.266 -4.630 1.00 61.52 H new ATOM 0 HZ PHE A 8 -6.103 5.800 -2.678 1.00 75.50 H new ATOM 143 N GLY A 9 -1.569 2.251 -8.295 1.00 4.11 N ATOM 144 CA GLY A 9 -0.550 1.729 -9.187 1.00 73.42 C ATOM 145 C GLY A 9 0.447 2.788 -9.612 1.00 61.12 C ATOM 146 O GLY A 9 0.297 3.403 -10.668 1.00 60.25 O ATOM 0 H GLY A 9 -1.378 2.119 -7.302 1.00 4.11 H new ATOM 0 HA2 GLY A 9 -0.021 0.914 -8.692 1.00 73.42 H new ATOM 0 HA3 GLY A 9 -1.027 1.308 -10.072 1.00 73.42 H new ATOM 150 N ILE A 10 1.467 3.003 -8.788 1.00 33.11 N ATOM 151 CA ILE A 10 2.492 3.996 -9.084 1.00 71.24 C ATOM 152 C ILE A 10 3.880 3.365 -9.100 1.00 60.23 C ATOM 153 O ILE A 10 4.741 3.711 -8.290 1.00 74.03 O ATOM 154 CB ILE A 10 2.475 5.146 -8.060 1.00 72.21 C ATOM 155 CG1 ILE A 10 1.049 5.665 -7.868 1.00 15.34 C ATOM 156 CG2 ILE A 10 3.397 6.269 -8.510 1.00 3.15 C ATOM 157 CD1 ILE A 10 0.316 5.007 -6.719 1.00 53.45 C ATOM 0 H ILE A 10 1.606 2.503 -7.910 1.00 33.11 H new ATOM 0 HA ILE A 10 2.266 4.397 -10.072 1.00 71.24 H new ATOM 0 HB ILE A 10 2.836 4.767 -7.104 1.00 72.21 H new ATOM 0 HG12 ILE A 10 1.082 6.741 -7.698 1.00 15.34 H new ATOM 0 HG13 ILE A 10 0.486 5.505 -8.787 1.00 15.34 H new ATOM 0 HG21 ILE A 10 3.374 7.075 -7.776 1.00 3.15 H new ATOM 0 HG22 ILE A 10 4.415 5.890 -8.601 1.00 3.15 H new ATOM 0 HG23 ILE A 10 3.063 6.649 -9.476 1.00 3.15 H new ATOM 0 HD11 ILE A 10 -0.688 5.424 -6.642 1.00 53.45 H new ATOM 0 HD12 ILE A 10 0.251 3.933 -6.896 1.00 53.45 H new ATOM 0 HD13 ILE A 10 0.857 5.189 -5.790 1.00 53.45 H new ATOM 169 N HIS A 11 4.092 2.438 -10.029 1.00 61.31 N ATOM 170 CA HIS A 11 5.377 1.759 -10.153 1.00 4.42 C ATOM 171 C HIS A 11 5.632 1.337 -11.597 1.00 2.14 C ATOM 172 O HIS A 11 5.037 0.377 -12.088 1.00 23.22 O ATOM 173 CB HIS A 11 5.423 0.537 -9.236 1.00 30.31 C ATOM 174 CG HIS A 11 5.689 0.874 -7.801 1.00 62.41 C ATOM 175 ND1 HIS A 11 4.809 0.576 -6.782 1.00 52.33 N ATOM 176 CD2 HIS A 11 6.746 1.485 -7.217 1.00 21.45 C ATOM 177 CE1 HIS A 11 5.312 0.991 -5.633 1.00 52.45 C ATOM 178 NE2 HIS A 11 6.487 1.546 -5.869 1.00 62.14 N ATOM 0 H HIS A 11 3.391 2.140 -10.707 1.00 61.31 H new ATOM 0 HA HIS A 11 6.159 2.457 -9.854 1.00 4.42 H new ATOM 0 HB2 HIS A 11 4.474 0.005 -9.306 1.00 30.31 H new ATOM 0 HB3 HIS A 11 6.197 -0.144 -9.590 1.00 30.31 H new ATOM 0 HD2 HIS A 11 7.629 1.856 -7.717 1.00 21.45 H new ATOM 0 HE1 HIS A 11 4.842 0.893 -4.665 1.00 52.45 H new ATOM 0 HE2 HIS A 11 7.102 1.954 -5.165 1.00 62.14 H new ATOM 186 N LEU A 12 6.519 2.060 -12.272 1.00 14.43 N ATOM 187 CA LEU A 12 6.852 1.761 -13.660 1.00 52.41 C ATOM 188 C LEU A 12 8.257 1.177 -13.769 1.00 55.03 C ATOM 189 O LEU A 12 8.858 1.177 -14.843 1.00 74.31 O ATOM 190 CB LEU A 12 6.745 3.026 -14.514 1.00 62.35 C ATOM 191 CG LEU A 12 7.147 4.333 -13.831 1.00 51.42 C ATOM 192 CD1 LEU A 12 8.543 4.219 -13.238 1.00 54.02 C ATOM 193 CD2 LEU A 12 7.077 5.492 -14.815 1.00 15.53 C ATOM 0 H LEU A 12 7.020 2.857 -11.880 1.00 14.43 H new ATOM 0 HA LEU A 12 6.141 1.021 -14.028 1.00 52.41 H new ATOM 0 HB2 LEU A 12 7.367 2.896 -15.400 1.00 62.35 H new ATOM 0 HB3 LEU A 12 5.715 3.121 -14.859 1.00 62.35 H new ATOM 0 HG LEU A 12 6.445 4.527 -13.020 1.00 51.42 H new ATOM 0 HD11 LEU A 12 8.812 5.159 -12.756 1.00 54.02 H new ATOM 0 HD12 LEU A 12 8.561 3.416 -12.502 1.00 54.02 H new ATOM 0 HD13 LEU A 12 9.258 4.000 -14.031 1.00 54.02 H new ATOM 0 HD21 LEU A 12 7.366 6.415 -14.312 1.00 15.53 H new ATOM 0 HD22 LEU A 12 7.756 5.304 -15.647 1.00 15.53 H new ATOM 0 HD23 LEU A 12 6.059 5.588 -15.192 1.00 15.53 H new ATOM 205 N ALA A 13 8.773 0.678 -12.651 1.00 11.31 N ATOM 206 CA ALA A 13 10.105 0.087 -12.622 1.00 32.22 C ATOM 207 C ALA A 13 10.041 -1.420 -12.844 1.00 62.43 C ATOM 208 O ALA A 13 10.469 -2.203 -11.995 1.00 33.00 O ATOM 209 CB ALA A 13 10.792 0.399 -11.301 1.00 20.34 C ATOM 0 H ALA A 13 8.289 0.671 -11.753 1.00 11.31 H new ATOM 0 HA ALA A 13 10.687 0.523 -13.434 1.00 32.22 H new ATOM 0 HB1 ALA A 13 11.786 -0.049 -11.293 1.00 20.34 H new ATOM 0 HB2 ALA A 13 10.879 1.479 -11.183 1.00 20.34 H new ATOM 0 HB3 ALA A 13 10.204 -0.010 -10.479 1.00 20.34 H new ATOM 215 N THR A 14 9.504 -1.822 -13.992 1.00 70.51 N ATOM 216 CA THR A 14 9.383 -3.236 -14.325 1.00 74.04 C ATOM 217 C THR A 14 10.570 -3.709 -15.156 1.00 22.12 C ATOM 218 O THR A 14 10.423 -4.543 -16.048 1.00 23.30 O ATOM 219 CB THR A 14 8.082 -3.521 -15.101 1.00 5.31 C ATOM 220 OG1 THR A 14 7.910 -4.933 -15.266 1.00 52.41 O ATOM 221 CG2 THR A 14 8.106 -2.845 -16.463 1.00 41.34 C ATOM 0 H THR A 14 9.146 -1.188 -14.707 1.00 70.51 H new ATOM 0 HA THR A 14 9.363 -3.782 -13.382 1.00 74.04 H new ATOM 0 HB THR A 14 7.247 -3.118 -14.528 1.00 5.31 H new ATOM 0 HG1 THR A 14 8.705 -5.311 -15.697 1.00 52.41 H new ATOM 0 HG21 THR A 14 7.178 -3.060 -16.992 1.00 41.34 H new ATOM 0 HG22 THR A 14 8.208 -1.768 -16.333 1.00 41.34 H new ATOM 0 HG23 THR A 14 8.949 -3.222 -17.042 1.00 41.34 H new ATOM 229 N GLY A 15 11.748 -3.171 -14.856 1.00 4.23 N ATOM 230 CA GLY A 15 12.945 -3.551 -15.584 1.00 13.01 C ATOM 231 C GLY A 15 14.045 -4.051 -14.670 1.00 24.42 C ATOM 232 O GLY A 15 14.679 -5.071 -14.947 1.00 54.31 O ATOM 0 H GLY A 15 11.895 -2.479 -14.122 1.00 4.23 H new ATOM 0 HA2 GLY A 15 12.696 -4.328 -16.306 1.00 13.01 H new ATOM 0 HA3 GLY A 15 13.309 -2.694 -16.151 1.00 13.01 H new ATOM 236 N THR A 16 14.277 -3.332 -13.576 1.00 31.32 N ATOM 237 CA THR A 16 15.310 -3.707 -12.619 1.00 65.12 C ATOM 238 C THR A 16 14.709 -4.017 -11.253 1.00 42.50 C ATOM 239 O THR A 16 15.267 -4.795 -10.481 1.00 23.23 O ATOM 240 CB THR A 16 16.363 -2.593 -12.464 1.00 31.11 C ATOM 241 OG1 THR A 16 16.973 -2.316 -13.729 1.00 40.33 O ATOM 242 CG2 THR A 16 17.431 -2.994 -11.457 1.00 53.03 C ATOM 0 H THR A 16 13.763 -2.486 -13.331 1.00 31.32 H new ATOM 0 HA THR A 16 15.793 -4.602 -13.011 1.00 65.12 H new ATOM 0 HB THR A 16 15.861 -1.697 -12.100 1.00 31.11 H new ATOM 0 HG1 THR A 16 17.640 -1.606 -13.622 1.00 40.33 H new ATOM 0 HG21 THR A 16 18.163 -2.192 -11.364 1.00 53.03 H new ATOM 0 HG22 THR A 16 16.967 -3.176 -10.487 1.00 53.03 H new ATOM 0 HG23 THR A 16 17.929 -3.902 -11.797 1.00 53.03 H new ATOM 250 N ALA A 17 13.567 -3.402 -10.961 1.00 63.24 N ATOM 251 CA ALA A 17 12.889 -3.615 -9.689 1.00 11.31 C ATOM 252 C ALA A 17 12.248 -4.997 -9.633 1.00 33.12 C ATOM 253 O ALA A 17 12.039 -5.552 -8.554 1.00 1.55 O ATOM 254 CB ALA A 17 11.841 -2.535 -9.463 1.00 31.02 C ATOM 0 H ALA A 17 13.093 -2.753 -11.588 1.00 63.24 H new ATOM 0 HA ALA A 17 13.633 -3.556 -8.894 1.00 11.31 H new ATOM 0 HB1 ALA A 17 11.342 -2.706 -8.509 1.00 31.02 H new ATOM 0 HB2 ALA A 17 12.323 -1.557 -9.450 1.00 31.02 H new ATOM 0 HB3 ALA A 17 11.106 -2.567 -10.268 1.00 31.02 H new ATOM 260 N ARG A 18 11.936 -5.548 -10.802 1.00 5.25 N ATOM 261 CA ARG A 18 11.317 -6.865 -10.885 1.00 11.13 C ATOM 262 C ARG A 18 12.166 -7.911 -10.168 1.00 71.25 C ATOM 263 O ARG A 18 11.648 -8.742 -9.422 1.00 11.24 O ATOM 264 CB ARG A 18 11.119 -7.267 -12.347 1.00 71.52 C ATOM 265 CG ARG A 18 10.144 -6.375 -13.098 1.00 34.43 C ATOM 266 CD ARG A 18 8.785 -6.338 -12.416 1.00 0.35 C ATOM 267 NE ARG A 18 8.678 -5.229 -11.471 1.00 34.23 N ATOM 268 CZ ARG A 18 7.520 -4.742 -11.037 1.00 61.54 C ATOM 269 NH1 ARG A 18 6.377 -5.264 -11.462 1.00 23.14 N ATOM 270 NH2 ARG A 18 7.504 -3.732 -10.177 1.00 61.14 N ATOM 0 H ARG A 18 12.102 -5.102 -11.704 1.00 5.25 H new ATOM 0 HA ARG A 18 10.345 -6.814 -10.395 1.00 11.13 H new ATOM 0 HB2 ARG A 18 12.083 -7.245 -12.855 1.00 71.52 H new ATOM 0 HB3 ARG A 18 10.761 -8.296 -12.387 1.00 71.52 H new ATOM 0 HG2 ARG A 18 10.548 -5.365 -13.162 1.00 34.43 H new ATOM 0 HG3 ARG A 18 10.030 -6.738 -14.120 1.00 34.43 H new ATOM 0 HD2 ARG A 18 8.003 -6.249 -13.170 1.00 0.35 H new ATOM 0 HD3 ARG A 18 8.616 -7.279 -11.892 1.00 0.35 H new ATOM 0 HE ARG A 18 9.539 -4.805 -11.125 1.00 34.23 H new ATOM 0 HH11 ARG A 18 6.386 -6.041 -12.123 1.00 23.14 H new ATOM 0 HH12 ARG A 18 5.489 -4.889 -11.128 1.00 23.14 H new ATOM 0 HH21 ARG A 18 8.381 -3.328 -9.848 1.00 61.14 H new ATOM 0 HH22 ARG A 18 6.615 -3.359 -9.845 1.00 61.14 H new ATOM 284 N LYS A 19 13.473 -7.865 -10.402 1.00 21.53 N ATOM 285 CA LYS A 19 14.395 -8.808 -9.779 1.00 43.12 C ATOM 286 C LYS A 19 14.398 -8.645 -8.263 1.00 23.14 C ATOM 287 O LYS A 19 14.847 -9.531 -7.534 1.00 32.12 O ATOM 288 CB LYS A 19 15.810 -8.606 -10.327 1.00 71.32 C ATOM 289 CG LYS A 19 16.019 -9.207 -11.707 1.00 2.25 C ATOM 290 CD LYS A 19 15.771 -8.185 -12.803 1.00 52.22 C ATOM 291 CE LYS A 19 16.319 -8.658 -14.141 1.00 31.03 C ATOM 292 NZ LYS A 19 15.317 -9.458 -14.899 1.00 5.01 N ATOM 0 H LYS A 19 13.918 -7.185 -11.018 1.00 21.53 H new ATOM 0 HA LYS A 19 14.060 -9.817 -10.017 1.00 43.12 H new ATOM 0 HB2 LYS A 19 16.026 -7.538 -10.368 1.00 71.32 H new ATOM 0 HB3 LYS A 19 16.526 -9.049 -9.635 1.00 71.32 H new ATOM 0 HG2 LYS A 19 17.037 -9.589 -11.788 1.00 2.25 H new ATOM 0 HG3 LYS A 19 15.348 -10.056 -11.841 1.00 2.25 H new ATOM 0 HD2 LYS A 19 14.701 -7.998 -12.892 1.00 52.22 H new ATOM 0 HD3 LYS A 19 16.238 -7.238 -12.532 1.00 52.22 H new ATOM 0 HE2 LYS A 19 16.620 -7.795 -14.736 1.00 31.03 H new ATOM 0 HE3 LYS A 19 17.213 -9.259 -13.975 1.00 31.03 H new ATOM 0 HZ1 LYS A 19 15.728 -9.762 -15.805 1.00 5.01 H new ATOM 0 HZ2 LYS A 19 15.048 -10.295 -14.343 1.00 5.01 H new ATOM 0 HZ3 LYS A 19 14.474 -8.877 -15.080 1.00 5.01 H new ATOM 306 N LEU A 20 13.894 -7.509 -7.793 1.00 62.32 N ATOM 307 CA LEU A 20 13.837 -7.231 -6.362 1.00 62.13 C ATOM 308 C LEU A 20 12.492 -7.652 -5.779 1.00 1.21 C ATOM 309 O LEU A 20 12.433 -8.322 -4.747 1.00 70.44 O ATOM 310 CB LEU A 20 14.076 -5.743 -6.102 1.00 53.31 C ATOM 311 CG LEU A 20 15.535 -5.285 -6.110 1.00 73.25 C ATOM 312 CD1 LEU A 20 15.618 -3.770 -6.206 1.00 4.20 C ATOM 313 CD2 LEU A 20 16.257 -5.784 -4.867 1.00 42.14 C ATOM 0 H LEU A 20 13.519 -6.766 -8.382 1.00 62.32 H new ATOM 0 HA LEU A 20 14.621 -7.809 -5.873 1.00 62.13 H new ATOM 0 HB2 LEU A 20 13.533 -5.172 -6.855 1.00 53.31 H new ATOM 0 HB3 LEU A 20 13.642 -5.490 -5.135 1.00 53.31 H new ATOM 0 HG LEU A 20 16.025 -5.711 -6.986 1.00 73.25 H new ATOM 0 HD11 LEU A 20 16.664 -3.462 -6.210 1.00 4.20 H new ATOM 0 HD12 LEU A 20 15.138 -3.437 -7.126 1.00 4.20 H new ATOM 0 HD13 LEU A 20 15.112 -3.323 -5.350 1.00 4.20 H new ATOM 0 HD21 LEU A 20 17.294 -5.449 -4.889 1.00 42.14 H new ATOM 0 HD22 LEU A 20 15.767 -5.388 -3.978 1.00 42.14 H new ATOM 0 HD23 LEU A 20 16.228 -6.873 -4.842 1.00 42.14 H new ATOM 325 N LEU A 21 11.414 -7.256 -6.446 1.00 51.23 N ATOM 326 CA LEU A 21 10.068 -7.594 -5.996 1.00 2.43 C ATOM 327 C LEU A 21 9.886 -9.106 -5.909 1.00 45.41 C ATOM 328 O LEU A 21 9.100 -9.601 -5.102 1.00 23.15 O ATOM 329 CB LEU A 21 9.027 -6.997 -6.944 1.00 12.21 C ATOM 330 CG LEU A 21 7.938 -6.143 -6.293 1.00 72.02 C ATOM 331 CD1 LEU A 21 7.051 -5.510 -7.354 1.00 11.30 C ATOM 332 CD2 LEU A 21 7.107 -6.980 -5.331 1.00 63.24 C ATOM 0 H LEU A 21 11.445 -6.700 -7.301 1.00 51.23 H new ATOM 0 HA LEU A 21 9.928 -7.172 -5.001 1.00 2.43 H new ATOM 0 HB2 LEU A 21 9.546 -6.387 -7.683 1.00 12.21 H new ATOM 0 HB3 LEU A 21 8.547 -7.813 -7.484 1.00 12.21 H new ATOM 0 HG LEU A 21 8.419 -5.345 -5.727 1.00 72.02 H new ATOM 0 HD11 LEU A 21 6.282 -4.906 -6.872 1.00 11.30 H new ATOM 0 HD12 LEU A 21 7.656 -4.877 -8.003 1.00 11.30 H new ATOM 0 HD13 LEU A 21 6.579 -6.293 -7.948 1.00 11.30 H new ATOM 0 HD21 LEU A 21 6.337 -6.356 -4.877 1.00 63.24 H new ATOM 0 HD22 LEU A 21 6.636 -7.799 -5.875 1.00 63.24 H new ATOM 0 HD23 LEU A 21 7.752 -7.385 -4.551 1.00 63.24 H new ATOM 344 N ASP A 22 10.620 -9.833 -6.744 1.00 72.14 N ATOM 345 CA ASP A 22 10.542 -11.289 -6.760 1.00 63.22 C ATOM 346 C ASP A 22 11.510 -11.896 -5.749 1.00 13.13 C ATOM 347 O ASP A 22 11.689 -13.112 -5.699 1.00 65.34 O ATOM 348 CB ASP A 22 10.848 -11.822 -8.161 1.00 24.33 C ATOM 349 CG ASP A 22 10.300 -13.218 -8.382 1.00 33.25 C ATOM 350 OD1 ASP A 22 9.282 -13.563 -7.746 1.00 11.45 O ATOM 351 OD2 ASP A 22 10.889 -13.967 -9.190 1.00 15.42 O ATOM 0 H ASP A 22 11.276 -9.438 -7.418 1.00 72.14 H new ATOM 0 HA ASP A 22 9.528 -11.577 -6.483 1.00 63.22 H new ATOM 0 HB2 ASP A 22 10.424 -11.147 -8.904 1.00 24.33 H new ATOM 0 HB3 ASP A 22 11.927 -11.830 -8.316 1.00 24.33 H new ATOM 356 N ALA A 23 12.131 -11.040 -4.944 1.00 50.55 N ATOM 357 CA ALA A 23 13.079 -11.491 -3.934 1.00 23.12 C ATOM 358 C ALA A 23 12.682 -10.995 -2.548 1.00 3.43 C ATOM 359 O ALA A 23 12.896 -11.679 -1.547 1.00 61.32 O ATOM 360 CB ALA A 23 14.484 -11.023 -4.282 1.00 4.31 C ATOM 0 H ALA A 23 11.994 -10.030 -4.972 1.00 50.55 H new ATOM 0 HA ALA A 23 13.065 -12.581 -3.919 1.00 23.12 H new ATOM 0 HB1 ALA A 23 15.182 -11.367 -3.519 1.00 4.31 H new ATOM 0 HB2 ALA A 23 14.774 -11.432 -5.250 1.00 4.31 H new ATOM 0 HB3 ALA A 23 14.504 -9.934 -4.327 1.00 4.31 H new ATOM 366 N VAL A 24 12.104 -9.799 -2.496 1.00 34.04 N ATOM 367 CA VAL A 24 11.676 -9.211 -1.232 1.00 4.12 C ATOM 368 C VAL A 24 10.435 -9.912 -0.691 1.00 42.12 C ATOM 369 O VAL A 24 10.200 -9.936 0.516 1.00 14.54 O ATOM 370 CB VAL A 24 11.378 -7.708 -1.385 1.00 12.42 C ATOM 371 CG1 VAL A 24 12.596 -6.973 -1.923 1.00 61.22 C ATOM 372 CG2 VAL A 24 10.173 -7.493 -2.289 1.00 22.42 C ATOM 0 H VAL A 24 11.921 -9.218 -3.314 1.00 34.04 H new ATOM 0 HA VAL A 24 12.498 -9.341 -0.528 1.00 4.12 H new ATOM 0 HB VAL A 24 11.143 -7.301 -0.402 1.00 12.42 H new ATOM 0 HG11 VAL A 24 12.366 -5.912 -2.024 1.00 61.22 H new ATOM 0 HG12 VAL A 24 13.431 -7.099 -1.234 1.00 61.22 H new ATOM 0 HG13 VAL A 24 12.866 -7.380 -2.897 1.00 61.22 H new ATOM 0 HG21 VAL A 24 9.977 -6.425 -2.386 1.00 22.42 H new ATOM 0 HG22 VAL A 24 10.376 -7.915 -3.273 1.00 22.42 H new ATOM 0 HG23 VAL A 24 9.301 -7.984 -1.856 1.00 22.42 H new ATOM 382 N ALA A 25 9.644 -10.483 -1.594 1.00 3.30 N ATOM 383 CA ALA A 25 8.428 -11.187 -1.208 1.00 21.13 C ATOM 384 C ALA A 25 8.754 -12.506 -0.514 1.00 51.53 C ATOM 385 O ALA A 25 7.872 -13.160 0.042 1.00 1.44 O ATOM 386 CB ALA A 25 7.551 -11.432 -2.426 1.00 75.23 C ATOM 0 H ALA A 25 9.824 -10.471 -2.598 1.00 3.30 H new ATOM 0 HA ALA A 25 7.883 -10.560 -0.502 1.00 21.13 H new ATOM 0 HB1 ALA A 25 6.646 -11.959 -2.123 1.00 75.23 H new ATOM 0 HB2 ALA A 25 7.281 -10.478 -2.878 1.00 75.23 H new ATOM 0 HB3 ALA A 25 8.096 -12.036 -3.151 1.00 75.23 H new ATOM 392 N SER A 26 10.026 -12.891 -0.552 1.00 55.55 N ATOM 393 CA SER A 26 10.467 -14.134 0.069 1.00 52.23 C ATOM 394 C SER A 26 11.417 -13.854 1.229 1.00 34.04 C ATOM 395 O SER A 26 11.885 -14.774 1.899 1.00 55.11 O ATOM 396 CB SER A 26 11.155 -15.028 -0.964 1.00 61.41 C ATOM 397 OG SER A 26 11.800 -16.125 -0.340 1.00 1.10 O ATOM 0 H SER A 26 10.769 -12.360 -1.006 1.00 55.55 H new ATOM 0 HA SER A 26 9.589 -14.649 0.458 1.00 52.23 H new ATOM 0 HB2 SER A 26 10.419 -15.394 -1.680 1.00 61.41 H new ATOM 0 HB3 SER A 26 11.884 -14.445 -1.526 1.00 61.41 H new ATOM 0 HG SER A 26 11.700 -16.053 0.632 1.00 1.10 H new ATOM 403 N GLY A 27 11.697 -12.575 1.461 1.00 20.14 N ATOM 404 CA GLY A 27 12.590 -12.195 2.541 1.00 75.50 C ATOM 405 C GLY A 27 12.275 -10.821 3.097 1.00 34.14 C ATOM 406 O GLY A 27 11.983 -10.677 4.284 1.00 0.51 O ATOM 0 H GLY A 27 11.322 -11.795 0.921 1.00 20.14 H new ATOM 0 HA2 GLY A 27 12.521 -12.932 3.341 1.00 75.50 H new ATOM 0 HA3 GLY A 27 13.619 -12.211 2.180 1.00 75.50 H new ATOM 410 N ALA A 28 12.335 -9.809 2.239 1.00 50.35 N ATOM 411 CA ALA A 28 12.054 -8.439 2.651 1.00 75.30 C ATOM 412 C ALA A 28 13.010 -7.990 3.750 1.00 13.45 C ATOM 413 O ALA A 28 12.581 -7.560 4.821 1.00 2.43 O ATOM 414 CB ALA A 28 10.611 -8.315 3.120 1.00 64.13 C ATOM 0 H ALA A 28 12.576 -9.912 1.253 1.00 50.35 H new ATOM 0 HA ALA A 28 12.202 -7.788 1.789 1.00 75.30 H new ATOM 0 HB1 ALA A 28 10.415 -7.287 3.425 1.00 64.13 H new ATOM 0 HB2 ALA A 28 9.939 -8.587 2.306 1.00 64.13 H new ATOM 0 HB3 ALA A 28 10.445 -8.982 3.966 1.00 64.13 H new ATOM 420 N SER A 29 14.307 -8.092 3.479 1.00 72.41 N ATOM 421 CA SER A 29 15.324 -7.700 4.447 1.00 30.44 C ATOM 422 C SER A 29 16.201 -6.582 3.892 1.00 73.21 C ATOM 423 O SER A 29 16.702 -5.740 4.639 1.00 75.51 O ATOM 424 CB SER A 29 16.190 -8.904 4.824 1.00 3.33 C ATOM 425 OG SER A 29 17.065 -8.588 5.894 1.00 52.44 O ATOM 0 H SER A 29 14.678 -8.443 2.596 1.00 72.41 H new ATOM 0 HA SER A 29 14.818 -7.331 5.339 1.00 30.44 H new ATOM 0 HB2 SER A 29 15.551 -9.741 5.107 1.00 3.33 H new ATOM 0 HB3 SER A 29 16.770 -9.224 3.958 1.00 3.33 H new ATOM 0 HG SER A 29 17.606 -9.374 6.117 1.00 52.44 H new ATOM 431 N LEU A 30 16.382 -6.580 2.576 1.00 42.11 N ATOM 432 CA LEU A 30 17.199 -5.566 1.918 1.00 55.41 C ATOM 433 C LEU A 30 16.767 -4.164 2.336 1.00 55.33 C ATOM 434 O LEU A 30 15.588 -3.915 2.587 1.00 61.21 O ATOM 435 CB LEU A 30 17.100 -5.710 0.398 1.00 31.43 C ATOM 436 CG LEU A 30 18.390 -6.100 -0.324 1.00 20.30 C ATOM 437 CD1 LEU A 30 19.528 -5.175 0.079 1.00 53.14 C ATOM 438 CD2 LEU A 30 18.749 -7.549 -0.029 1.00 60.44 C ATOM 0 H LEU A 30 15.974 -7.269 1.944 1.00 42.11 H new ATOM 0 HA LEU A 30 18.235 -5.714 2.224 1.00 55.41 H new ATOM 0 HB2 LEU A 30 16.340 -6.459 0.173 1.00 31.43 H new ATOM 0 HB3 LEU A 30 16.748 -4.764 -0.014 1.00 31.43 H new ATOM 0 HG LEU A 30 18.228 -5.997 -1.397 1.00 20.30 H new ATOM 0 HD11 LEU A 30 20.438 -5.468 -0.445 1.00 53.14 H new ATOM 0 HD12 LEU A 30 19.273 -4.148 -0.183 1.00 53.14 H new ATOM 0 HD13 LEU A 30 19.690 -5.245 1.155 1.00 53.14 H new ATOM 0 HD21 LEU A 30 19.670 -7.809 -0.551 1.00 60.44 H new ATOM 0 HD22 LEU A 30 18.892 -7.677 1.044 1.00 60.44 H new ATOM 0 HD23 LEU A 30 17.943 -8.200 -0.368 1.00 60.44 H new ATOM 450 N GLY A 31 17.729 -3.249 2.406 1.00 64.41 N ATOM 451 CA GLY A 31 17.428 -1.883 2.791 1.00 23.14 C ATOM 452 C GLY A 31 18.007 -0.867 1.826 1.00 32.43 C ATOM 453 O GLY A 31 17.407 0.179 1.580 1.00 13.53 O ATOM 0 H GLY A 31 18.712 -3.430 2.203 1.00 64.41 H new ATOM 0 HA2 GLY A 31 16.347 -1.754 2.844 1.00 23.14 H new ATOM 0 HA3 GLY A 31 17.821 -1.695 3.790 1.00 23.14 H new ATOM 457 N THR A 32 19.178 -1.175 1.278 1.00 42.23 N ATOM 458 CA THR A 32 19.840 -0.280 0.337 1.00 73.15 C ATOM 459 C THR A 32 19.298 -0.470 -1.076 1.00 24.02 C ATOM 460 O THR A 32 18.931 0.495 -1.745 1.00 1.31 O ATOM 461 CB THR A 32 21.364 -0.504 0.325 1.00 74.25 C ATOM 462 OG1 THR A 32 21.837 -0.721 1.658 1.00 23.23 O ATOM 463 CG2 THR A 32 22.081 0.690 -0.286 1.00 64.00 C ATOM 0 H THR A 32 19.688 -2.038 1.470 1.00 42.23 H new ATOM 0 HA THR A 32 19.633 0.737 0.669 1.00 73.15 H new ATOM 0 HB THR A 32 21.576 -1.384 -0.282 1.00 74.25 H new ATOM 0 HG1 THR A 32 22.806 -0.864 1.642 1.00 23.23 H new ATOM 0 HG21 THR A 32 23.156 0.509 -0.284 1.00 64.00 H new ATOM 0 HG22 THR A 32 21.739 0.834 -1.311 1.00 64.00 H new ATOM 0 HG23 THR A 32 21.862 1.584 0.298 1.00 64.00 H new ATOM 471 N ALA A 33 19.251 -1.721 -1.523 1.00 43.53 N ATOM 472 CA ALA A 33 18.752 -2.037 -2.856 1.00 10.14 C ATOM 473 C ALA A 33 17.370 -1.432 -3.082 1.00 65.20 C ATOM 474 O ALA A 33 17.062 -0.956 -4.175 1.00 12.25 O ATOM 475 CB ALA A 33 18.710 -3.544 -3.060 1.00 24.14 C ATOM 0 H ALA A 33 19.552 -2.532 -0.982 1.00 43.53 H new ATOM 0 HA ALA A 33 19.435 -1.601 -3.586 1.00 10.14 H new ATOM 0 HB1 ALA A 33 18.336 -3.766 -4.059 1.00 24.14 H new ATOM 0 HB2 ALA A 33 19.714 -3.954 -2.949 1.00 24.14 H new ATOM 0 HB3 ALA A 33 18.051 -3.993 -2.318 1.00 24.14 H new ATOM 481 N PHE A 34 16.542 -1.455 -2.043 1.00 62.21 N ATOM 482 CA PHE A 34 15.192 -0.910 -2.130 1.00 22.55 C ATOM 483 C PHE A 34 15.224 0.614 -2.188 1.00 75.03 C ATOM 484 O PHE A 34 14.347 1.241 -2.783 1.00 21.05 O ATOM 485 CB PHE A 34 14.357 -1.369 -0.932 1.00 51.13 C ATOM 486 CG PHE A 34 12.882 -1.413 -1.212 1.00 71.24 C ATOM 487 CD1 PHE A 34 12.383 -2.186 -2.249 1.00 41.50 C ATOM 488 CD2 PHE A 34 11.994 -0.683 -0.439 1.00 22.13 C ATOM 489 CE1 PHE A 34 11.026 -2.227 -2.509 1.00 64.32 C ATOM 490 CE2 PHE A 34 10.636 -0.721 -0.694 1.00 22.41 C ATOM 491 CZ PHE A 34 10.152 -1.495 -1.730 1.00 33.40 C ATOM 0 H PHE A 34 16.782 -1.845 -1.131 1.00 62.21 H new ATOM 0 HA PHE A 34 14.735 -1.281 -3.047 1.00 22.55 H new ATOM 0 HB2 PHE A 34 14.690 -2.360 -0.625 1.00 51.13 H new ATOM 0 HB3 PHE A 34 14.540 -0.698 -0.093 1.00 51.13 H new ATOM 0 HD1 PHE A 34 13.062 -2.762 -2.860 1.00 41.50 H new ATOM 0 HD2 PHE A 34 12.367 -0.077 0.373 1.00 22.13 H new ATOM 0 HE1 PHE A 34 10.650 -2.831 -3.321 1.00 64.32 H new ATOM 0 HE2 PHE A 34 9.955 -0.146 -0.084 1.00 22.41 H new ATOM 0 HZ PHE A 34 9.091 -1.528 -1.931 1.00 33.40 H new ATOM 501 N ALA A 35 16.240 1.203 -1.567 1.00 13.34 N ATOM 502 CA ALA A 35 16.387 2.653 -1.549 1.00 11.31 C ATOM 503 C ALA A 35 17.000 3.159 -2.850 1.00 64.22 C ATOM 504 O ALA A 35 16.834 4.322 -3.215 1.00 50.20 O ATOM 505 CB ALA A 35 17.235 3.083 -0.361 1.00 43.22 C ATOM 0 H ALA A 35 16.974 0.698 -1.070 1.00 13.34 H new ATOM 0 HA ALA A 35 15.394 3.093 -1.451 1.00 11.31 H new ATOM 0 HB1 ALA A 35 17.336 4.168 -0.360 1.00 43.22 H new ATOM 0 HB2 ALA A 35 16.755 2.763 0.564 1.00 43.22 H new ATOM 0 HB3 ALA A 35 18.222 2.626 -0.434 1.00 43.22 H new ATOM 511 N ALA A 36 17.711 2.277 -3.546 1.00 31.03 N ATOM 512 CA ALA A 36 18.348 2.634 -4.807 1.00 41.11 C ATOM 513 C ALA A 36 17.338 2.640 -5.950 1.00 25.01 C ATOM 514 O ALA A 36 17.617 3.153 -7.034 1.00 62.00 O ATOM 515 CB ALA A 36 19.488 1.674 -5.113 1.00 4.23 C ATOM 0 H ALA A 36 17.860 1.310 -3.257 1.00 31.03 H new ATOM 0 HA ALA A 36 18.752 3.641 -4.709 1.00 41.11 H new ATOM 0 HB1 ALA A 36 19.955 1.953 -6.058 1.00 4.23 H new ATOM 0 HB2 ALA A 36 20.228 1.722 -4.314 1.00 4.23 H new ATOM 0 HB3 ALA A 36 19.099 0.659 -5.186 1.00 4.23 H new ATOM 521 N ILE A 37 16.166 2.066 -5.700 1.00 42.44 N ATOM 522 CA ILE A 37 15.116 2.007 -6.709 1.00 34.51 C ATOM 523 C ILE A 37 13.989 2.982 -6.387 1.00 54.24 C ATOM 524 O ILE A 37 13.314 3.487 -7.286 1.00 61.21 O ATOM 525 CB ILE A 37 14.531 0.587 -6.830 1.00 23.44 C ATOM 526 CG1 ILE A 37 14.107 0.067 -5.454 1.00 43.52 C ATOM 527 CG2 ILE A 37 15.546 -0.351 -7.466 1.00 60.31 C ATOM 528 CD1 ILE A 37 13.303 -1.212 -5.513 1.00 71.30 C ATOM 0 H ILE A 37 15.920 1.636 -4.809 1.00 42.44 H new ATOM 0 HA ILE A 37 15.574 2.285 -7.658 1.00 34.51 H new ATOM 0 HB ILE A 37 13.650 0.626 -7.470 1.00 23.44 H new ATOM 0 HG12 ILE A 37 14.997 -0.101 -4.848 1.00 43.52 H new ATOM 0 HG13 ILE A 37 13.518 0.834 -4.950 1.00 43.52 H new ATOM 0 HG21 ILE A 37 15.118 -1.350 -7.545 1.00 60.31 H new ATOM 0 HG22 ILE A 37 15.804 0.013 -8.461 1.00 60.31 H new ATOM 0 HG23 ILE A 37 16.444 -0.388 -6.849 1.00 60.31 H new ATOM 0 HD11 ILE A 37 13.037 -1.522 -4.502 1.00 71.30 H new ATOM 0 HD12 ILE A 37 12.395 -1.044 -6.092 1.00 71.30 H new ATOM 0 HD13 ILE A 37 13.897 -1.993 -5.988 1.00 71.30 H new ATOM 540 N LEU A 38 13.791 3.245 -5.100 1.00 52.45 N ATOM 541 CA LEU A 38 12.746 4.163 -4.659 1.00 42.10 C ATOM 542 C LEU A 38 13.284 5.586 -4.544 1.00 62.22 C ATOM 543 O LEU A 38 12.636 6.461 -3.972 1.00 2.11 O ATOM 544 CB LEU A 38 12.178 3.710 -3.313 1.00 13.50 C ATOM 545 CG LEU A 38 10.914 2.852 -3.373 1.00 13.03 C ATOM 546 CD1 LEU A 38 11.261 1.414 -3.723 1.00 25.52 C ATOM 547 CD2 LEU A 38 10.164 2.915 -2.050 1.00 75.33 C ATOM 0 H LEU A 38 14.340 2.836 -4.344 1.00 52.45 H new ATOM 0 HA LEU A 38 11.950 4.155 -5.404 1.00 42.10 H new ATOM 0 HB2 LEU A 38 12.950 3.149 -2.786 1.00 13.50 H new ATOM 0 HB3 LEU A 38 11.964 4.596 -2.715 1.00 13.50 H new ATOM 0 HG LEU A 38 10.266 3.248 -4.155 1.00 13.03 H new ATOM 0 HD11 LEU A 38 10.349 0.819 -3.761 1.00 25.52 H new ATOM 0 HD12 LEU A 38 11.754 1.385 -4.695 1.00 25.52 H new ATOM 0 HD13 LEU A 38 11.929 1.006 -2.965 1.00 25.52 H new ATOM 0 HD21 LEU A 38 9.267 2.299 -2.111 1.00 75.33 H new ATOM 0 HD22 LEU A 38 10.805 2.545 -1.250 1.00 75.33 H new ATOM 0 HD23 LEU A 38 9.882 3.947 -1.841 1.00 75.33 H new ATOM 559 N GLY A 39 14.474 5.810 -5.095 1.00 33.44 N ATOM 560 CA GLY A 39 15.078 7.128 -5.045 1.00 12.21 C ATOM 561 C GLY A 39 15.054 7.828 -6.389 1.00 63.24 C ATOM 562 O GLY A 39 15.282 9.035 -6.474 1.00 33.34 O ATOM 0 H GLY A 39 15.030 5.102 -5.575 1.00 33.44 H new ATOM 0 HA2 GLY A 39 14.551 7.738 -4.312 1.00 12.21 H new ATOM 0 HA3 GLY A 39 16.109 7.039 -4.704 1.00 12.21 H new ATOM 566 N VAL A 40 14.780 7.068 -7.445 1.00 41.23 N ATOM 567 CA VAL A 40 14.728 7.622 -8.793 1.00 4.30 C ATOM 568 C VAL A 40 13.457 8.436 -9.004 1.00 74.13 C ATOM 569 O VAL A 40 13.448 9.414 -9.752 1.00 44.14 O ATOM 570 CB VAL A 40 14.798 6.513 -9.859 1.00 61.21 C ATOM 571 CG1 VAL A 40 13.720 5.468 -9.614 1.00 54.53 C ATOM 572 CG2 VAL A 40 14.670 7.106 -11.254 1.00 5.10 C ATOM 0 H VAL A 40 14.591 6.067 -7.393 1.00 41.23 H new ATOM 0 HA VAL A 40 15.595 8.274 -8.901 1.00 4.30 H new ATOM 0 HB VAL A 40 15.769 6.023 -9.785 1.00 61.21 H new ATOM 0 HG11 VAL A 40 13.785 4.692 -10.377 1.00 54.53 H new ATOM 0 HG12 VAL A 40 13.863 5.022 -8.630 1.00 54.53 H new ATOM 0 HG13 VAL A 40 12.739 5.940 -9.659 1.00 54.53 H new ATOM 0 HG21 VAL A 40 14.722 6.308 -11.995 1.00 5.10 H new ATOM 0 HG22 VAL A 40 13.714 7.623 -11.343 1.00 5.10 H new ATOM 0 HG23 VAL A 40 15.482 7.813 -11.425 1.00 5.10 H new ATOM 582 N THR A 41 12.381 8.026 -8.339 1.00 72.24 N ATOM 583 CA THR A 41 11.102 8.716 -8.454 1.00 62.33 C ATOM 584 C THR A 41 10.428 8.854 -7.094 1.00 73.32 C ATOM 585 O THR A 41 9.858 9.898 -6.775 1.00 53.14 O ATOM 586 CB THR A 41 10.150 7.978 -9.414 1.00 61.04 C ATOM 587 OG1 THR A 41 8.847 8.570 -9.363 1.00 21.42 O ATOM 588 CG2 THR A 41 10.057 6.502 -9.057 1.00 2.45 C ATOM 0 H THR A 41 12.370 7.219 -7.715 1.00 72.24 H new ATOM 0 HA THR A 41 11.312 9.708 -8.854 1.00 62.33 H new ATOM 0 HB THR A 41 10.549 8.066 -10.424 1.00 61.04 H new ATOM 0 HG1 THR A 41 8.248 8.096 -9.977 1.00 21.42 H new ATOM 0 HG21 THR A 41 9.379 6.002 -9.749 1.00 2.45 H new ATOM 0 HG22 THR A 41 11.046 6.048 -9.126 1.00 2.45 H new ATOM 0 HG23 THR A 41 9.680 6.397 -8.040 1.00 2.45 H new ATOM 596 N LEU A 42 10.496 7.795 -6.295 1.00 61.32 N ATOM 597 CA LEU A 42 9.892 7.798 -4.967 1.00 62.12 C ATOM 598 C LEU A 42 10.708 8.649 -4.000 1.00 25.12 C ATOM 599 O LEU A 42 11.884 8.935 -4.226 1.00 65.41 O ATOM 600 CB LEU A 42 9.777 6.369 -4.435 1.00 34.45 C ATOM 601 CG LEU A 42 8.487 5.625 -4.783 1.00 30.40 C ATOM 602 CD1 LEU A 42 8.670 4.805 -6.051 1.00 34.22 C ATOM 603 CD2 LEU A 42 8.056 4.734 -3.627 1.00 22.30 C ATOM 0 H LEU A 42 10.963 6.923 -6.543 1.00 61.32 H new ATOM 0 HA LEU A 42 8.895 8.230 -5.049 1.00 62.12 H new ATOM 0 HB2 LEU A 42 10.620 5.792 -4.816 1.00 34.45 H new ATOM 0 HB3 LEU A 42 9.875 6.398 -3.350 1.00 34.45 H new ATOM 0 HG LEU A 42 7.702 6.361 -4.960 1.00 30.40 H new ATOM 0 HD11 LEU A 42 7.742 4.282 -6.283 1.00 34.22 H new ATOM 0 HD12 LEU A 42 8.931 5.466 -6.877 1.00 34.22 H new ATOM 0 HD13 LEU A 42 9.468 4.078 -5.902 1.00 34.22 H new ATOM 0 HD21 LEU A 42 7.136 4.213 -3.893 1.00 22.30 H new ATOM 0 HD22 LEU A 42 8.839 4.005 -3.418 1.00 22.30 H new ATOM 0 HD23 LEU A 42 7.883 5.345 -2.741 1.00 22.30 H new ATOM 615 N PRO A 43 10.072 9.063 -2.894 1.00 25.33 N ATOM 616 CA PRO A 43 10.722 9.884 -1.868 1.00 14.50 C ATOM 617 C PRO A 43 11.779 9.110 -1.089 1.00 2.44 C ATOM 618 O PRO A 43 12.130 7.987 -1.448 1.00 42.01 O ATOM 619 CB PRO A 43 9.565 10.283 -0.948 1.00 53.13 C ATOM 620 CG PRO A 43 8.549 9.208 -1.129 1.00 25.22 C ATOM 621 CD PRO A 43 8.671 8.760 -2.559 1.00 71.41 C ATOM 0 HA PRO A 43 11.253 10.732 -2.301 1.00 14.50 H new ATOM 0 HB2 PRO A 43 9.890 10.350 0.090 1.00 53.13 H new ATOM 0 HB3 PRO A 43 9.162 11.259 -1.219 1.00 53.13 H new ATOM 0 HG2 PRO A 43 8.731 8.380 -0.444 1.00 25.22 H new ATOM 0 HG3 PRO A 43 7.546 9.580 -0.921 1.00 25.22 H new ATOM 0 HD2 PRO A 43 8.453 7.698 -2.667 1.00 71.41 H new ATOM 0 HD3 PRO A 43 7.978 9.295 -3.208 1.00 71.41 H new ATOM 629 N ALA A 44 12.283 9.718 -0.020 1.00 10.44 N ATOM 630 CA ALA A 44 13.299 9.085 0.812 1.00 73.41 C ATOM 631 C ALA A 44 12.709 8.617 2.138 1.00 2.43 C ATOM 632 O ALA A 44 13.227 7.695 2.768 1.00 5.30 O ATOM 633 CB ALA A 44 14.455 10.043 1.054 1.00 24.15 C ATOM 0 H ALA A 44 12.004 10.649 0.290 1.00 10.44 H new ATOM 0 HA ALA A 44 13.673 8.209 0.282 1.00 73.41 H new ATOM 0 HB1 ALA A 44 15.206 9.557 1.677 1.00 24.15 H new ATOM 0 HB2 ALA A 44 14.901 10.323 0.100 1.00 24.15 H new ATOM 0 HB3 ALA A 44 14.088 10.936 1.559 1.00 24.15 H new ATOM 639 N TRP A 45 11.625 9.259 2.557 1.00 54.41 N ATOM 640 CA TRP A 45 10.965 8.909 3.810 1.00 43.31 C ATOM 641 C TRP A 45 10.227 7.582 3.684 1.00 74.52 C ATOM 642 O TRP A 45 10.067 6.854 4.664 1.00 42.15 O ATOM 643 CB TRP A 45 9.990 10.013 4.222 1.00 33.34 C ATOM 644 CG TRP A 45 8.829 10.160 3.285 1.00 3.34 C ATOM 645 CD1 TRP A 45 8.711 11.057 2.262 1.00 64.43 C ATOM 646 CD2 TRP A 45 7.623 9.390 3.288 1.00 74.23 C ATOM 647 NE1 TRP A 45 7.504 10.890 1.627 1.00 31.45 N ATOM 648 CE2 TRP A 45 6.818 9.873 2.237 1.00 31.13 C ATOM 649 CE3 TRP A 45 7.144 8.338 4.073 1.00 24.33 C ATOM 650 CZ2 TRP A 45 5.563 9.340 1.956 1.00 71.44 C ATOM 651 CZ3 TRP A 45 5.899 7.810 3.793 1.00 75.23 C ATOM 652 CH2 TRP A 45 5.120 8.310 2.741 1.00 54.41 C ATOM 0 H TRP A 45 11.184 10.025 2.048 1.00 54.41 H new ATOM 0 HA TRP A 45 11.731 8.805 4.579 1.00 43.31 H new ATOM 0 HB2 TRP A 45 9.615 9.802 5.223 1.00 33.34 H new ATOM 0 HB3 TRP A 45 10.527 10.960 4.276 1.00 33.34 H new ATOM 0 HD1 TRP A 45 9.457 11.790 1.992 1.00 64.43 H new ATOM 0 HE1 TRP A 45 7.173 11.435 0.831 1.00 31.45 H new ATOM 0 HE3 TRP A 45 7.737 7.944 4.885 1.00 24.33 H new ATOM 0 HZ2 TRP A 45 4.960 9.726 1.147 1.00 71.44 H new ATOM 0 HZ3 TRP A 45 5.519 6.998 4.395 1.00 75.23 H new ATOM 0 HH2 TRP A 45 4.151 7.874 2.546 1.00 54.41 H new ATOM 663 N ALA A 46 9.778 7.272 2.472 1.00 72.31 N ATOM 664 CA ALA A 46 9.058 6.030 2.218 1.00 31.12 C ATOM 665 C ALA A 46 9.834 4.828 2.745 1.00 23.21 C ATOM 666 O ALA A 46 9.246 3.818 3.133 1.00 22.45 O ATOM 667 CB ALA A 46 8.785 5.873 0.730 1.00 74.13 C ATOM 0 H ALA A 46 9.900 7.864 1.650 1.00 72.31 H new ATOM 0 HA ALA A 46 8.107 6.076 2.748 1.00 31.12 H new ATOM 0 HB1 ALA A 46 8.247 4.941 0.555 1.00 74.13 H new ATOM 0 HB2 ALA A 46 8.182 6.711 0.380 1.00 74.13 H new ATOM 0 HB3 ALA A 46 9.730 5.854 0.187 1.00 74.13 H new ATOM 673 N LEU A 47 11.158 4.943 2.755 1.00 33.52 N ATOM 674 CA LEU A 47 12.016 3.864 3.234 1.00 15.12 C ATOM 675 C LEU A 47 11.862 3.674 4.740 1.00 72.12 C ATOM 676 O LEU A 47 11.782 2.547 5.228 1.00 0.10 O ATOM 677 CB LEU A 47 13.477 4.159 2.892 1.00 22.54 C ATOM 678 CG LEU A 47 13.751 4.629 1.463 1.00 33.14 C ATOM 679 CD1 LEU A 47 15.094 5.337 1.382 1.00 24.54 C ATOM 680 CD2 LEU A 47 13.706 3.454 0.497 1.00 35.04 C ATOM 0 H LEU A 47 11.660 5.772 2.437 1.00 33.52 H new ATOM 0 HA LEU A 47 11.712 2.943 2.738 1.00 15.12 H new ATOM 0 HB2 LEU A 47 13.843 4.921 3.580 1.00 22.54 H new ATOM 0 HB3 LEU A 47 14.061 3.257 3.075 1.00 22.54 H new ATOM 0 HG LEU A 47 12.973 5.337 1.179 1.00 33.14 H new ATOM 0 HD11 LEU A 47 15.272 5.664 0.358 1.00 24.54 H new ATOM 0 HD12 LEU A 47 15.089 6.203 2.044 1.00 24.54 H new ATOM 0 HD13 LEU A 47 15.885 4.652 1.686 1.00 24.54 H new ATOM 0 HD21 LEU A 47 13.903 3.807 -0.515 1.00 35.04 H new ATOM 0 HD22 LEU A 47 14.462 2.722 0.779 1.00 35.04 H new ATOM 0 HD23 LEU A 47 12.720 2.990 0.534 1.00 35.04 H new ATOM 692 N ALA A 48 11.819 4.784 5.470 1.00 71.41 N ATOM 693 CA ALA A 48 11.670 4.739 6.919 1.00 3.12 C ATOM 694 C ALA A 48 10.234 4.415 7.314 1.00 75.30 C ATOM 695 O ALA A 48 9.982 3.880 8.393 1.00 22.14 O ATOM 696 CB ALA A 48 12.103 6.061 7.535 1.00 41.51 C ATOM 0 H ALA A 48 11.885 5.725 5.082 1.00 71.41 H new ATOM 0 HA ALA A 48 12.312 3.945 7.301 1.00 3.12 H new ATOM 0 HB1 ALA A 48 11.986 6.013 8.618 1.00 41.51 H new ATOM 0 HB2 ALA A 48 13.148 6.251 7.291 1.00 41.51 H new ATOM 0 HB3 ALA A 48 11.485 6.867 7.139 1.00 41.51 H new ATOM 702 N ALA A 49 9.294 4.742 6.433 1.00 42.52 N ATOM 703 CA ALA A 49 7.883 4.485 6.689 1.00 33.52 C ATOM 704 C ALA A 49 7.584 2.989 6.663 1.00 3.30 C ATOM 705 O ALA A 49 6.617 2.529 7.269 1.00 50.22 O ATOM 706 CB ALA A 49 7.019 5.215 5.671 1.00 23.14 C ATOM 0 H ALA A 49 9.485 5.186 5.535 1.00 42.52 H new ATOM 0 HA ALA A 49 7.646 4.860 7.685 1.00 33.52 H new ATOM 0 HB1 ALA A 49 5.967 5.013 5.875 1.00 23.14 H new ATOM 0 HB2 ALA A 49 7.203 6.287 5.740 1.00 23.14 H new ATOM 0 HB3 ALA A 49 7.267 4.868 4.668 1.00 23.14 H new ATOM 712 N ALA A 50 8.421 2.236 5.957 1.00 60.11 N ATOM 713 CA ALA A 50 8.247 0.792 5.853 1.00 1.51 C ATOM 714 C ALA A 50 8.887 0.076 7.037 1.00 32.15 C ATOM 715 O ALA A 50 8.465 -1.016 7.417 1.00 54.51 O ATOM 716 CB ALA A 50 8.834 0.283 4.545 1.00 24.24 C ATOM 0 H ALA A 50 9.226 2.602 5.449 1.00 60.11 H new ATOM 0 HA ALA A 50 7.178 0.577 5.867 1.00 1.51 H new ATOM 0 HB1 ALA A 50 8.697 -0.796 4.480 1.00 24.24 H new ATOM 0 HB2 ALA A 50 8.328 0.764 3.708 1.00 24.24 H new ATOM 0 HB3 ALA A 50 9.898 0.517 4.508 1.00 24.24 H new ATOM 722 N GLY A 51 9.909 0.697 7.618 1.00 42.44 N ATOM 723 CA GLY A 51 10.591 0.103 8.752 1.00 1.25 C ATOM 724 C GLY A 51 9.996 0.536 10.078 1.00 61.32 C ATOM 725 O GLY A 51 9.664 -0.299 10.919 1.00 64.22 O ATOM 0 H GLY A 51 10.277 1.602 7.323 1.00 42.44 H new ATOM 0 HA2 GLY A 51 10.543 -0.983 8.673 1.00 1.25 H new ATOM 0 HA3 GLY A 51 11.645 0.378 8.723 1.00 1.25 H new ATOM 729 N ALA A 52 9.862 1.845 10.266 1.00 61.44 N ATOM 730 CA ALA A 52 9.303 2.386 11.498 1.00 51.22 C ATOM 731 C ALA A 52 7.903 1.838 11.753 1.00 51.22 C ATOM 732 O ALA A 52 7.632 1.267 12.810 1.00 54.11 O ATOM 733 CB ALA A 52 9.274 3.906 11.441 1.00 45.40 C ATOM 0 H ALA A 52 10.133 2.550 9.580 1.00 61.44 H new ATOM 0 HA ALA A 52 9.942 2.076 12.325 1.00 51.22 H new ATOM 0 HB1 ALA A 52 8.854 4.297 12.368 1.00 45.40 H new ATOM 0 HB2 ALA A 52 10.288 4.285 11.314 1.00 45.40 H new ATOM 0 HB3 ALA A 52 8.659 4.227 10.600 1.00 45.40 H new ATOM 739 N LEU A 53 7.017 2.016 10.779 1.00 32.12 N ATOM 740 CA LEU A 53 5.643 1.539 10.898 1.00 2.45 C ATOM 741 C LEU A 53 5.560 0.042 10.620 1.00 41.02 C ATOM 742 O LEU A 53 5.056 -0.725 11.439 1.00 62.21 O ATOM 743 CB LEU A 53 4.733 2.301 9.933 1.00 32.43 C ATOM 744 CG LEU A 53 3.236 2.009 10.051 1.00 65.23 C ATOM 745 CD1 LEU A 53 2.627 2.798 11.199 1.00 22.22 C ATOM 746 CD2 LEU A 53 2.526 2.331 8.744 1.00 21.10 C ATOM 0 H LEU A 53 7.225 2.487 9.898 1.00 32.12 H new ATOM 0 HA LEU A 53 5.309 1.718 11.920 1.00 2.45 H new ATOM 0 HB2 LEU A 53 4.888 3.369 10.086 1.00 32.43 H new ATOM 0 HB3 LEU A 53 5.048 2.076 8.914 1.00 32.43 H new ATOM 0 HG LEU A 53 3.108 0.947 10.259 1.00 65.23 H new ATOM 0 HD11 LEU A 53 1.562 2.577 11.267 1.00 22.22 H new ATOM 0 HD12 LEU A 53 3.116 2.519 12.132 1.00 22.22 H new ATOM 0 HD13 LEU A 53 2.766 3.864 11.022 1.00 22.22 H new ATOM 0 HD21 LEU A 53 1.462 2.117 8.846 1.00 21.10 H new ATOM 0 HD22 LEU A 53 2.663 3.386 8.506 1.00 21.10 H new ATOM 0 HD23 LEU A 53 2.944 1.721 7.943 1.00 21.10 H new ATOM 758 N GLY A 54 6.061 -0.367 9.458 1.00 75.31 N ATOM 759 CA GLY A 54 6.035 -1.772 9.093 1.00 50.43 C ATOM 760 C GLY A 54 5.363 -2.011 7.755 1.00 15.25 C ATOM 761 O GLY A 54 5.761 -2.899 7.003 1.00 61.11 O ATOM 0 H GLY A 54 6.484 0.249 8.764 1.00 75.31 H new ATOM 0 HA2 GLY A 54 7.055 -2.154 9.057 1.00 50.43 H new ATOM 0 HA3 GLY A 54 5.511 -2.335 9.865 1.00 50.43 H new ATOM 765 N ALA A 55 4.338 -1.217 7.460 1.00 63.34 N ATOM 766 CA ALA A 55 3.609 -1.347 6.204 1.00 3.10 C ATOM 767 C ALA A 55 3.072 -2.763 6.025 1.00 52.30 C ATOM 768 O ALA A 55 3.705 -3.602 5.384 1.00 73.41 O ATOM 769 CB ALA A 55 4.504 -0.968 5.033 1.00 53.21 C ATOM 0 H ALA A 55 3.994 -0.478 8.073 1.00 63.34 H new ATOM 0 HA ALA A 55 2.759 -0.665 6.233 1.00 3.10 H new ATOM 0 HB1 ALA A 55 3.947 -1.070 4.102 1.00 53.21 H new ATOM 0 HB2 ALA A 55 4.835 0.064 5.147 1.00 53.21 H new ATOM 0 HB3 ALA A 55 5.372 -1.627 5.010 1.00 53.21 H new ATOM 775 N THR A 56 1.900 -3.023 6.596 1.00 12.43 N ATOM 776 CA THR A 56 1.278 -4.337 6.501 1.00 21.34 C ATOM 777 C THR A 56 0.682 -4.565 5.117 1.00 64.11 C ATOM 778 O THR A 56 -0.537 -4.582 4.950 1.00 3.44 O ATOM 779 CB THR A 56 0.172 -4.513 7.559 1.00 60.30 C ATOM 780 OG1 THR A 56 -0.536 -5.737 7.329 1.00 44.32 O ATOM 781 CG2 THR A 56 -0.801 -3.344 7.524 1.00 30.51 C ATOM 0 H THR A 56 1.362 -2.340 7.130 1.00 12.43 H new ATOM 0 HA THR A 56 2.063 -5.071 6.681 1.00 21.34 H new ATOM 0 HB THR A 56 0.642 -4.545 8.542 1.00 60.30 H new ATOM 0 HG1 THR A 56 -1.120 -5.635 6.549 1.00 44.32 H new ATOM 0 HG21 THR A 56 -1.573 -3.490 8.280 1.00 30.51 H new ATOM 0 HG22 THR A 56 -0.264 -2.418 7.728 1.00 30.51 H new ATOM 0 HG23 THR A 56 -1.264 -3.285 6.539 1.00 30.51 H new ATOM 789 N ALA A 57 1.550 -4.741 4.126 1.00 25.20 N ATOM 790 CA ALA A 57 1.109 -4.971 2.756 1.00 64.01 C ATOM 791 C ALA A 57 0.382 -3.751 2.201 1.00 1.13 C ATOM 792 O ALA A 57 -0.371 -3.852 1.234 1.00 72.45 O ATOM 793 CB ALA A 57 0.212 -6.198 2.689 1.00 24.20 C ATOM 0 H ALA A 57 2.563 -4.729 4.247 1.00 25.20 H new ATOM 0 HA ALA A 57 1.992 -5.146 2.141 1.00 64.01 H new ATOM 0 HB1 ALA A 57 -0.110 -6.358 1.660 1.00 24.20 H new ATOM 0 HB2 ALA A 57 0.764 -7.071 3.036 1.00 24.20 H new ATOM 0 HB3 ALA A 57 -0.662 -6.045 3.323 1.00 24.20 H new ATOM 799 N ALA A 58 0.612 -2.598 2.821 1.00 22.13 N ATOM 800 CA ALA A 58 -0.020 -1.358 2.388 1.00 33.35 C ATOM 801 C ALA A 58 0.405 -0.991 0.971 1.00 73.02 C ATOM 802 O ALA A 58 -0.436 -0.771 0.098 1.00 41.40 O ATOM 803 CB ALA A 58 0.317 -0.230 3.352 1.00 54.34 C ATOM 0 H ALA A 58 1.232 -2.497 3.625 1.00 22.13 H new ATOM 0 HA ALA A 58 -1.099 -1.510 2.387 1.00 33.35 H new ATOM 0 HB1 ALA A 58 -0.161 0.690 3.017 1.00 54.34 H new ATOM 0 HB2 ALA A 58 -0.043 -0.484 4.349 1.00 54.34 H new ATOM 0 HB3 ALA A 58 1.397 -0.087 3.382 1.00 54.34 H new