USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, 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 NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Set 1.1: A 11 HIS : no HE2:sc= -0.801 K(o=-0.029,f=-4.2!) USER MOD Set 1.2: A 41 THR OG1 : rot -161:sc= 0.771 USER MOD Single : A 1 ILE N :NH3+ -147:sc= -0.0767 (180deg=-0.584) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.228 K(o=-0.23,f=-3.7!) USER MOD Single : A 14 THR OG1 : rot -48:sc= 0.922 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 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -46:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.410 -1.122 -0.647 1.00 51.31 N ATOM 2 CA ILE A 1 1.198 -0.875 -1.848 1.00 52.33 C ATOM 3 C ILE A 1 0.936 -1.941 -2.907 1.00 14.15 C ATOM 4 O ILE A 1 0.984 -1.666 -4.106 1.00 2.44 O ATOM 5 CB ILE A 1 2.705 -0.838 -1.535 1.00 63.11 C ATOM 6 CG1 ILE A 1 3.013 0.277 -0.534 1.00 3.21 C ATOM 7 CG2 ILE A 1 3.507 -0.646 -2.814 1.00 3.04 C ATOM 8 CD1 ILE A 1 2.744 1.665 -1.073 1.00 33.41 C ATOM 0 H1 ILE A 1 0.149 -0.215 -0.211 1.00 51.31 H new ATOM 0 HA ILE A 1 0.891 0.098 -2.232 1.00 52.33 H new ATOM 0 HB ILE A 1 2.992 -1.790 -1.089 1.00 63.11 H new ATOM 0 HG12 ILE A 1 2.415 0.123 0.364 1.00 3.21 H new ATOM 0 HG13 ILE A 1 4.059 0.208 -0.236 1.00 3.21 H new ATOM 0 HG21 ILE A 1 4.571 -0.622 -2.576 1.00 3.04 H new ATOM 0 HG22 ILE A 1 3.306 -1.472 -3.497 1.00 3.04 H new ATOM 0 HG23 ILE A 1 3.219 0.293 -3.286 1.00 3.04 H new ATOM 0 HD11 ILE A 1 2.985 2.405 -0.309 1.00 33.41 H new ATOM 0 HD12 ILE A 1 3.361 1.839 -1.954 1.00 33.41 H new ATOM 0 HD13 ILE A 1 1.692 1.752 -1.344 1.00 33.41 H new ATOM 20 N TYR A 2 0.656 -3.158 -2.455 1.00 20.41 N ATOM 21 CA TYR A 2 0.386 -4.267 -3.363 1.00 23.13 C ATOM 22 C TYR A 2 -1.038 -4.194 -3.904 1.00 34.25 C ATOM 23 O TYR A 2 -1.440 -5.007 -4.736 1.00 53.34 O ATOM 24 CB TYR A 2 0.605 -5.602 -2.650 1.00 23.53 C ATOM 25 CG TYR A 2 2.045 -5.851 -2.259 1.00 74.51 C ATOM 26 CD1 TYR A 2 2.576 -5.298 -1.101 1.00 21.14 C ATOM 27 CD2 TYR A 2 2.873 -6.639 -3.049 1.00 2.13 C ATOM 28 CE1 TYR A 2 3.891 -5.522 -0.740 1.00 32.20 C ATOM 29 CE2 TYR A 2 4.189 -6.870 -2.695 1.00 55.41 C ATOM 30 CZ TYR A 2 4.693 -6.309 -1.540 1.00 53.02 C ATOM 31 OH TYR A 2 6.003 -6.535 -1.185 1.00 71.23 O ATOM 0 H TYR A 2 0.610 -3.402 -1.466 1.00 20.41 H new ATOM 0 HA TYR A 2 1.078 -4.193 -4.202 1.00 23.13 H new ATOM 0 HB2 TYR A 2 -0.016 -5.632 -1.755 1.00 23.53 H new ATOM 0 HB3 TYR A 2 0.269 -6.410 -3.299 1.00 23.53 H new ATOM 0 HD1 TYR A 2 1.950 -4.682 -0.472 1.00 21.14 H new ATOM 0 HD2 TYR A 2 2.482 -7.078 -3.955 1.00 2.13 H new ATOM 0 HE1 TYR A 2 4.288 -5.083 0.163 1.00 32.20 H new ATOM 0 HE2 TYR A 2 4.819 -7.486 -3.319 1.00 55.41 H new ATOM 0 HH TYR A 2 6.429 -7.110 -1.855 1.00 71.23 H new ATOM 41 N TRP A 3 -1.796 -3.215 -3.424 1.00 54.20 N ATOM 42 CA TRP A 3 -3.177 -3.034 -3.859 1.00 62.00 C ATOM 43 C TRP A 3 -3.325 -1.762 -4.686 1.00 43.22 C ATOM 44 O TRP A 3 -4.076 -1.729 -5.661 1.00 14.41 O ATOM 45 CB TRP A 3 -4.112 -2.982 -2.650 1.00 23.34 C ATOM 46 CG TRP A 3 -5.560 -2.883 -3.022 1.00 40.41 C ATOM 47 CD1 TRP A 3 -6.398 -3.914 -3.339 1.00 3.33 C ATOM 48 CD2 TRP A 3 -6.340 -1.686 -3.119 1.00 5.43 C ATOM 49 NE1 TRP A 3 -7.651 -3.430 -3.626 1.00 52.32 N ATOM 50 CE2 TRP A 3 -7.642 -2.066 -3.498 1.00 1.04 C ATOM 51 CE3 TRP A 3 -6.065 -0.330 -2.920 1.00 0.11 C ATOM 52 CZ2 TRP A 3 -8.664 -1.139 -3.682 1.00 41.41 C ATOM 53 CZ3 TRP A 3 -7.080 0.589 -3.104 1.00 13.33 C ATOM 54 CH2 TRP A 3 -8.367 0.182 -3.481 1.00 21.12 C ATOM 0 H TRP A 3 -1.478 -2.534 -2.734 1.00 54.20 H new ATOM 0 HA TRP A 3 -3.449 -3.885 -4.483 1.00 62.00 H new ATOM 0 HB2 TRP A 3 -3.960 -3.875 -2.044 1.00 23.34 H new ATOM 0 HB3 TRP A 3 -3.845 -2.127 -2.030 1.00 23.34 H new ATOM 0 HD1 TRP A 3 -6.117 -4.957 -3.361 1.00 3.33 H new ATOM 0 HE1 TRP A 3 -8.458 -3.995 -3.892 1.00 52.32 H new ATOM 0 HE3 TRP A 3 -5.077 -0.007 -2.628 1.00 0.11 H new ATOM 0 HZ2 TRP A 3 -9.656 -1.451 -3.973 1.00 41.41 H new ATOM 0 HZ3 TRP A 3 -6.878 1.639 -2.955 1.00 13.33 H new ATOM 0 HH2 TRP A 3 -9.139 0.925 -3.616 1.00 21.12 H new ATOM 65 N ILE A 4 -2.604 -0.718 -4.292 1.00 43.30 N ATOM 66 CA ILE A 4 -2.655 0.556 -4.999 1.00 23.10 C ATOM 67 C ILE A 4 -2.001 0.449 -6.372 1.00 63.03 C ATOM 68 O ILE A 4 -2.415 1.113 -7.322 1.00 0.22 O ATOM 69 CB ILE A 4 -1.960 1.673 -4.198 1.00 32.24 C ATOM 70 CG1 ILE A 4 -2.745 1.977 -2.920 1.00 51.50 C ATOM 71 CG2 ILE A 4 -1.817 2.925 -5.049 1.00 52.33 C ATOM 72 CD1 ILE A 4 -1.949 1.751 -1.654 1.00 15.14 C ATOM 0 H ILE A 4 -1.978 -0.729 -3.487 1.00 43.30 H new ATOM 0 HA ILE A 4 -3.709 0.808 -5.119 1.00 23.10 H new ATOM 0 HB ILE A 4 -0.963 1.333 -3.918 1.00 32.24 H new ATOM 0 HG12 ILE A 4 -3.082 3.013 -2.948 1.00 51.50 H new ATOM 0 HG13 ILE A 4 -3.638 1.352 -2.894 1.00 51.50 H new ATOM 0 HG21 ILE A 4 -1.324 3.705 -4.469 1.00 52.33 H new ATOM 0 HG22 ILE A 4 -1.220 2.698 -5.933 1.00 52.33 H new ATOM 0 HG23 ILE A 4 -2.804 3.271 -5.357 1.00 52.33 H new ATOM 0 HD11 ILE A 4 -2.568 1.986 -0.788 1.00 15.14 H new ATOM 0 HD12 ILE A 4 -1.635 0.709 -1.603 1.00 15.14 H new ATOM 0 HD13 ILE A 4 -1.070 2.395 -1.657 1.00 15.14 H new ATOM 84 N ALA A 5 -0.977 -0.393 -6.470 1.00 72.12 N ATOM 85 CA ALA A 5 -0.268 -0.591 -7.728 1.00 50.53 C ATOM 86 C ALA A 5 -1.165 -1.258 -8.765 1.00 51.34 C ATOM 87 O ALA A 5 -0.880 -1.220 -9.963 1.00 33.25 O ATOM 88 CB ALA A 5 0.987 -1.420 -7.502 1.00 45.30 C ATOM 0 H ALA A 5 -0.620 -0.949 -5.693 1.00 72.12 H new ATOM 0 HA ALA A 5 0.021 0.388 -8.111 1.00 50.53 H new ATOM 0 HB1 ALA A 5 1.506 -1.560 -8.450 1.00 45.30 H new ATOM 0 HB2 ALA A 5 1.643 -0.903 -6.802 1.00 45.30 H new ATOM 0 HB3 ALA A 5 0.712 -2.392 -7.092 1.00 45.30 H new ATOM 94 N ASP A 6 -2.249 -1.868 -8.298 1.00 64.13 N ATOM 95 CA ASP A 6 -3.188 -2.544 -9.186 1.00 0.31 C ATOM 96 C ASP A 6 -4.264 -1.579 -9.675 1.00 1.14 C ATOM 97 O ASP A 6 -4.271 -1.182 -10.839 1.00 75.14 O ATOM 98 CB ASP A 6 -3.836 -3.730 -8.470 1.00 11.20 C ATOM 99 CG ASP A 6 -2.897 -4.913 -8.343 1.00 42.00 C ATOM 100 OD1 ASP A 6 -1.780 -4.729 -7.817 1.00 25.22 O ATOM 101 OD2 ASP A 6 -3.279 -6.023 -8.771 1.00 4.33 O ATOM 0 H ASP A 6 -2.499 -1.908 -7.310 1.00 64.13 H new ATOM 0 HA ASP A 6 -2.634 -2.910 -10.050 1.00 0.31 H new ATOM 0 HB2 ASP A 6 -4.159 -3.418 -7.477 1.00 11.20 H new ATOM 0 HB3 ASP A 6 -4.729 -4.036 -9.015 1.00 11.20 H new ATOM 106 N GLN A 7 -5.170 -1.207 -8.776 1.00 73.24 N ATOM 107 CA GLN A 7 -6.252 -0.290 -9.118 1.00 23.45 C ATOM 108 C GLN A 7 -5.705 0.984 -9.752 1.00 70.15 C ATOM 109 O GLN A 7 -5.997 1.288 -10.909 1.00 63.24 O ATOM 110 CB GLN A 7 -7.067 0.056 -7.871 1.00 12.24 C ATOM 111 CG GLN A 7 -7.637 -1.160 -7.159 1.00 21.22 C ATOM 112 CD GLN A 7 -8.875 -1.708 -7.840 1.00 74.21 C ATOM 113 OE1 GLN A 7 -9.029 -1.598 -9.057 1.00 1.32 O ATOM 114 NE2 GLN A 7 -9.767 -2.304 -7.057 1.00 54.23 N ATOM 0 H GLN A 7 -5.177 -1.526 -7.807 1.00 73.24 H new ATOM 0 HA GLN A 7 -6.900 -0.785 -9.842 1.00 23.45 H new ATOM 0 HB2 GLN A 7 -6.435 0.610 -7.177 1.00 12.24 H new ATOM 0 HB3 GLN A 7 -7.886 0.717 -8.154 1.00 12.24 H new ATOM 0 HG2 GLN A 7 -6.877 -1.940 -7.114 1.00 21.22 H new ATOM 0 HG3 GLN A 7 -7.881 -0.893 -6.131 1.00 21.22 H new ATOM 0 HE21 GLN A 7 -9.599 -2.373 -6.053 1.00 54.23 H new ATOM 0 HE22 GLN A 7 -10.620 -2.693 -7.459 1.00 54.23 H new ATOM 123 N PHE A 8 -4.911 1.726 -8.988 1.00 40.41 N ATOM 124 CA PHE A 8 -4.324 2.969 -9.476 1.00 13.24 C ATOM 125 C PHE A 8 -3.138 2.688 -10.393 1.00 24.45 C ATOM 126 O PHE A 8 -3.212 2.894 -11.603 1.00 62.31 O ATOM 127 CB PHE A 8 -3.880 3.843 -8.301 1.00 43.21 C ATOM 128 CG PHE A 8 -4.968 4.097 -7.297 1.00 65.20 C ATOM 129 CD1 PHE A 8 -5.236 3.175 -6.298 1.00 63.55 C ATOM 130 CD2 PHE A 8 -5.722 5.257 -7.352 1.00 54.51 C ATOM 131 CE1 PHE A 8 -6.236 3.405 -5.373 1.00 21.03 C ATOM 132 CE2 PHE A 8 -6.723 5.494 -6.429 1.00 34.41 C ATOM 133 CZ PHE A 8 -6.981 4.566 -5.439 1.00 34.32 C ATOM 0 H PHE A 8 -4.659 1.489 -8.029 1.00 40.41 H new ATOM 0 HA PHE A 8 -5.084 3.500 -10.049 1.00 13.24 H new ATOM 0 HB2 PHE A 8 -3.039 3.364 -7.800 1.00 43.21 H new ATOM 0 HB3 PHE A 8 -3.521 4.798 -8.684 1.00 43.21 H new ATOM 0 HD1 PHE A 8 -4.656 2.266 -6.242 1.00 63.55 H new ATOM 0 HD2 PHE A 8 -5.526 5.985 -8.125 1.00 54.51 H new ATOM 0 HE1 PHE A 8 -6.435 2.678 -4.599 1.00 21.03 H new ATOM 0 HE2 PHE A 8 -7.303 6.404 -6.482 1.00 34.41 H new ATOM 0 HZ PHE A 8 -7.764 4.748 -4.718 1.00 34.32 H new ATOM 143 N GLY A 9 -2.042 2.215 -9.805 1.00 13.10 N ATOM 144 CA GLY A 9 -0.855 1.913 -10.583 1.00 2.44 C ATOM 145 C GLY A 9 -0.046 3.153 -10.911 1.00 31.14 C ATOM 146 O GLY A 9 0.352 3.357 -12.058 1.00 31.50 O ATOM 0 H GLY A 9 -1.956 2.036 -8.805 1.00 13.10 H new ATOM 0 HA2 GLY A 9 -0.231 1.211 -10.030 1.00 2.44 H new ATOM 0 HA3 GLY A 9 -1.147 1.418 -11.509 1.00 2.44 H new ATOM 150 N ILE A 10 0.196 3.983 -9.902 1.00 51.41 N ATOM 151 CA ILE A 10 0.962 5.209 -10.090 1.00 13.42 C ATOM 152 C ILE A 10 2.422 4.903 -10.404 1.00 71.24 C ATOM 153 O ILE A 10 2.870 5.059 -11.541 1.00 14.31 O ATOM 154 CB ILE A 10 0.895 6.111 -8.843 1.00 42.10 C ATOM 155 CG1 ILE A 10 -0.556 6.482 -8.532 1.00 12.20 C ATOM 156 CG2 ILE A 10 1.735 7.363 -9.049 1.00 61.22 C ATOM 157 CD1 ILE A 10 -0.726 7.208 -7.215 1.00 64.44 C ATOM 0 H ILE A 10 -0.127 3.829 -8.947 1.00 51.41 H new ATOM 0 HA ILE A 10 0.514 5.734 -10.934 1.00 13.42 H new ATOM 0 HB ILE A 10 1.300 5.561 -7.993 1.00 42.10 H new ATOM 0 HG12 ILE A 10 -0.942 7.109 -9.336 1.00 12.20 H new ATOM 0 HG13 ILE A 10 -1.159 5.574 -8.518 1.00 12.20 H new ATOM 0 HG21 ILE A 10 1.678 7.990 -8.159 1.00 61.22 H new ATOM 0 HG22 ILE A 10 2.772 7.080 -9.227 1.00 61.22 H new ATOM 0 HG23 ILE A 10 1.358 7.917 -9.908 1.00 61.22 H new ATOM 0 HD11 ILE A 10 -1.780 7.439 -7.061 1.00 64.44 H new ATOM 0 HD12 ILE A 10 -0.371 6.575 -6.402 1.00 64.44 H new ATOM 0 HD13 ILE A 10 -0.150 8.133 -7.233 1.00 64.44 H new ATOM 169 N HIS A 11 3.160 4.463 -9.390 1.00 44.22 N ATOM 170 CA HIS A 11 4.571 4.132 -9.559 1.00 33.41 C ATOM 171 C HIS A 11 4.767 2.621 -9.650 1.00 14.23 C ATOM 172 O HIS A 11 5.421 2.017 -8.799 1.00 11.24 O ATOM 173 CB HIS A 11 5.391 4.695 -8.398 1.00 42.13 C ATOM 174 CG HIS A 11 5.819 6.116 -8.602 1.00 21.14 C ATOM 175 ND1 HIS A 11 5.169 6.983 -9.454 1.00 12.21 N ATOM 176 CD2 HIS A 11 6.838 6.820 -8.056 1.00 11.52 C ATOM 177 CE1 HIS A 11 5.770 8.159 -9.425 1.00 10.11 C ATOM 178 NE2 HIS A 11 6.786 8.087 -8.584 1.00 12.13 N ATOM 0 H HIS A 11 2.805 4.327 -8.443 1.00 44.22 H new ATOM 0 HA HIS A 11 4.916 4.583 -10.490 1.00 33.41 H new ATOM 0 HB2 HIS A 11 4.803 4.629 -7.483 1.00 42.13 H new ATOM 0 HB3 HIS A 11 6.276 4.075 -8.254 1.00 42.13 H new ATOM 0 HD1 HIS A 11 4.351 6.752 -10.019 1.00 12.21 H new ATOM 0 HD2 HIS A 11 7.558 6.454 -7.339 1.00 11.52 H new ATOM 0 HE1 HIS A 11 5.480 9.031 -9.992 1.00 10.11 H new ATOM 186 N LEU A 12 4.195 2.017 -10.686 1.00 23.25 N ATOM 187 CA LEU A 12 4.306 0.576 -10.887 1.00 44.24 C ATOM 188 C LEU A 12 5.764 0.129 -10.831 1.00 14.22 C ATOM 189 O LEU A 12 6.166 -0.596 -9.922 1.00 32.13 O ATOM 190 CB LEU A 12 3.691 0.181 -12.231 1.00 65.20 C ATOM 191 CG LEU A 12 2.892 -1.122 -12.246 1.00 33.44 C ATOM 192 CD1 LEU A 12 3.791 -2.305 -11.920 1.00 45.52 C ATOM 193 CD2 LEU A 12 1.731 -1.047 -11.264 1.00 62.02 C ATOM 0 H LEU A 12 3.650 2.502 -11.399 1.00 23.25 H new ATOM 0 HA LEU A 12 3.762 0.078 -10.084 1.00 44.24 H new ATOM 0 HB2 LEU A 12 3.037 0.989 -12.560 1.00 65.20 H new ATOM 0 HB3 LEU A 12 4.493 0.101 -12.965 1.00 65.20 H new ATOM 0 HG LEU A 12 2.487 -1.265 -13.248 1.00 33.44 H new ATOM 0 HD11 LEU A 12 3.204 -3.223 -11.936 1.00 45.52 H new ATOM 0 HD12 LEU A 12 4.588 -2.371 -12.661 1.00 45.52 H new ATOM 0 HD13 LEU A 12 4.226 -2.169 -10.930 1.00 45.52 H new ATOM 0 HD21 LEU A 12 1.173 -1.983 -11.288 1.00 62.02 H new ATOM 0 HD22 LEU A 12 2.116 -0.879 -10.258 1.00 62.02 H new ATOM 0 HD23 LEU A 12 1.072 -0.225 -11.542 1.00 62.02 H new ATOM 205 N ALA A 13 6.550 0.569 -11.807 1.00 64.15 N ATOM 206 CA ALA A 13 7.964 0.218 -11.866 1.00 72.35 C ATOM 207 C ALA A 13 8.151 -1.293 -11.955 1.00 72.12 C ATOM 208 O ALA A 13 8.565 -1.936 -10.990 1.00 32.21 O ATOM 209 CB ALA A 13 8.696 0.772 -10.654 1.00 24.25 C ATOM 0 H ALA A 13 6.232 1.169 -12.568 1.00 64.15 H new ATOM 0 HA ALA A 13 8.387 0.664 -12.767 1.00 72.35 H new ATOM 0 HB1 ALA A 13 9.751 0.502 -10.711 1.00 24.25 H new ATOM 0 HB2 ALA A 13 8.599 1.858 -10.635 1.00 24.25 H new ATOM 0 HB3 ALA A 13 8.263 0.354 -9.745 1.00 24.25 H new ATOM 215 N THR A 14 7.842 -1.856 -13.120 1.00 5.34 N ATOM 216 CA THR A 14 7.975 -3.291 -13.334 1.00 33.23 C ATOM 217 C THR A 14 9.229 -3.614 -14.137 1.00 62.03 C ATOM 218 O THR A 14 9.263 -4.587 -14.890 1.00 0.41 O ATOM 219 CB THR A 14 6.748 -3.865 -14.067 1.00 35.45 C ATOM 220 OG1 THR A 14 6.845 -5.292 -14.142 1.00 31.03 O ATOM 221 CG2 THR A 14 6.634 -3.285 -15.468 1.00 71.22 C ATOM 0 H THR A 14 7.498 -1.339 -13.929 1.00 5.34 H new ATOM 0 HA THR A 14 8.050 -3.752 -12.349 1.00 33.23 H new ATOM 0 HB THR A 14 5.856 -3.591 -13.504 1.00 35.45 H new ATOM 0 HG1 THR A 14 7.740 -5.543 -14.453 1.00 31.03 H new ATOM 0 HG21 THR A 14 5.760 -3.705 -15.966 1.00 71.22 H new ATOM 0 HG22 THR A 14 6.530 -2.202 -15.406 1.00 71.22 H new ATOM 0 HG23 THR A 14 7.530 -3.532 -16.038 1.00 71.22 H new ATOM 229 N GLY A 15 10.261 -2.791 -13.972 1.00 33.31 N ATOM 230 CA GLY A 15 11.504 -3.007 -14.688 1.00 60.05 C ATOM 231 C GLY A 15 12.604 -3.542 -13.793 1.00 1.50 C ATOM 232 O GLY A 15 13.313 -4.480 -14.159 1.00 41.41 O ATOM 0 H GLY A 15 10.258 -1.979 -13.355 1.00 33.31 H new ATOM 0 HA2 GLY A 15 11.332 -3.708 -15.505 1.00 60.05 H new ATOM 0 HA3 GLY A 15 11.829 -2.068 -15.136 1.00 60.05 H new ATOM 236 N THR A 16 12.749 -2.943 -12.615 1.00 5.21 N ATOM 237 CA THR A 16 13.773 -3.362 -11.666 1.00 32.04 C ATOM 238 C THR A 16 13.159 -3.713 -10.315 1.00 62.11 C ATOM 239 O THR A 16 13.501 -4.731 -9.713 1.00 54.24 O ATOM 240 CB THR A 16 14.835 -2.265 -11.464 1.00 65.34 C ATOM 241 OG1 THR A 16 15.153 -1.654 -12.720 1.00 71.40 O ATOM 242 CG2 THR A 16 16.098 -2.843 -10.842 1.00 52.40 C ATOM 0 H THR A 16 12.170 -2.166 -12.295 1.00 5.21 H new ATOM 0 HA THR A 16 14.251 -4.247 -12.087 1.00 32.04 H new ATOM 0 HB THR A 16 14.426 -1.514 -10.788 1.00 65.34 H new ATOM 0 HG1 THR A 16 15.828 -0.956 -12.583 1.00 71.40 H new ATOM 0 HG21 THR A 16 16.834 -2.050 -10.709 1.00 52.40 H new ATOM 0 HG22 THR A 16 15.858 -3.282 -9.874 1.00 52.40 H new ATOM 0 HG23 THR A 16 16.508 -3.611 -11.498 1.00 52.40 H new ATOM 250 N ALA A 17 12.251 -2.864 -9.844 1.00 63.33 N ATOM 251 CA ALA A 17 11.588 -3.087 -8.566 1.00 0.04 C ATOM 252 C ALA A 17 10.914 -4.454 -8.527 1.00 62.44 C ATOM 253 O ALA A 17 10.769 -5.056 -7.463 1.00 43.11 O ATOM 254 CB ALA A 17 10.570 -1.987 -8.300 1.00 64.44 C ATOM 0 H ALA A 17 11.958 -2.016 -10.329 1.00 63.33 H new ATOM 0 HA ALA A 17 12.346 -3.063 -7.783 1.00 0.04 H new ATOM 0 HB1 ALA A 17 10.082 -2.167 -7.342 1.00 64.44 H new ATOM 0 HB2 ALA A 17 11.076 -1.022 -8.275 1.00 64.44 H new ATOM 0 HB3 ALA A 17 9.822 -1.984 -9.093 1.00 64.44 H new ATOM 260 N ARG A 18 10.504 -4.939 -9.695 1.00 33.44 N ATOM 261 CA ARG A 18 9.843 -6.235 -9.794 1.00 23.43 C ATOM 262 C ARG A 18 10.721 -7.339 -9.211 1.00 62.00 C ATOM 263 O ARG A 18 10.287 -8.104 -8.349 1.00 55.45 O ATOM 264 CB ARG A 18 9.510 -6.551 -11.253 1.00 34.41 C ATOM 265 CG ARG A 18 8.063 -6.962 -11.472 1.00 14.03 C ATOM 266 CD ARG A 18 7.748 -8.282 -10.785 1.00 63.02 C ATOM 267 NE ARG A 18 7.821 -9.411 -11.709 1.00 43.54 N ATOM 268 CZ ARG A 18 7.407 -10.636 -11.407 1.00 54.23 C ATOM 269 NH1 ARG A 18 6.892 -10.889 -10.212 1.00 72.10 N ATOM 270 NH2 ARG A 18 7.506 -11.611 -12.302 1.00 41.40 N ATOM 0 H ARG A 18 10.618 -4.454 -10.585 1.00 33.44 H new ATOM 0 HA ARG A 18 8.918 -6.188 -9.219 1.00 23.43 H new ATOM 0 HB2 ARG A 18 9.727 -5.675 -11.864 1.00 34.41 H new ATOM 0 HB3 ARG A 18 10.163 -7.352 -11.601 1.00 34.41 H new ATOM 0 HG2 ARG A 18 7.401 -6.185 -11.090 1.00 14.03 H new ATOM 0 HG3 ARG A 18 7.867 -7.051 -12.540 1.00 14.03 H new ATOM 0 HD2 ARG A 18 8.448 -8.440 -9.964 1.00 63.02 H new ATOM 0 HD3 ARG A 18 6.750 -8.235 -10.349 1.00 63.02 H new ATOM 0 HE ARG A 18 8.212 -9.249 -12.637 1.00 43.54 H new ATOM 0 HH11 ARG A 18 6.813 -10.142 -9.522 1.00 72.10 H new ATOM 0 HH12 ARG A 18 6.575 -11.831 -9.982 1.00 72.10 H new ATOM 0 HH21 ARG A 18 7.900 -11.420 -13.223 1.00 41.40 H new ATOM 0 HH22 ARG A 18 7.188 -12.552 -12.069 1.00 41.40 H new ATOM 284 N LYS A 19 11.959 -7.416 -9.687 1.00 62.53 N ATOM 285 CA LYS A 19 12.900 -8.425 -9.214 1.00 72.23 C ATOM 286 C LYS A 19 13.080 -8.335 -7.702 1.00 41.44 C ATOM 287 O LYS A 19 13.310 -9.343 -7.033 1.00 4.52 O ATOM 288 CB LYS A 19 14.252 -8.258 -9.911 1.00 1.32 C ATOM 289 CG LYS A 19 14.166 -8.307 -11.426 1.00 51.04 C ATOM 290 CD LYS A 19 15.252 -7.464 -12.074 1.00 74.24 C ATOM 291 CE LYS A 19 16.625 -8.094 -11.899 1.00 40.12 C ATOM 292 NZ LYS A 19 17.668 -7.378 -12.685 1.00 72.02 N ATOM 0 H LYS A 19 12.335 -6.791 -10.401 1.00 62.53 H new ATOM 0 HA LYS A 19 12.493 -9.407 -9.455 1.00 72.23 H new ATOM 0 HB2 LYS A 19 14.691 -7.306 -9.611 1.00 1.32 H new ATOM 0 HB3 LYS A 19 14.927 -9.042 -9.568 1.00 1.32 H new ATOM 0 HG2 LYS A 19 14.256 -9.340 -11.763 1.00 51.04 H new ATOM 0 HG3 LYS A 19 13.187 -7.951 -11.747 1.00 51.04 H new ATOM 0 HD2 LYS A 19 15.037 -7.346 -13.136 1.00 74.24 H new ATOM 0 HD3 LYS A 19 15.250 -6.466 -11.636 1.00 74.24 H new ATOM 0 HE2 LYS A 19 16.896 -8.086 -10.843 1.00 40.12 H new ATOM 0 HE3 LYS A 19 16.588 -9.138 -12.211 1.00 40.12 H new ATOM 0 HZ1 LYS A 19 18.589 -7.838 -12.539 1.00 72.02 H new ATOM 0 HZ2 LYS A 19 17.423 -7.407 -13.695 1.00 72.02 H new ATOM 0 HZ3 LYS A 19 17.721 -6.388 -12.370 1.00 72.02 H new ATOM 306 N LEU A 20 12.973 -7.122 -7.170 1.00 73.21 N ATOM 307 CA LEU A 20 13.122 -6.900 -5.736 1.00 23.30 C ATOM 308 C LEU A 20 11.901 -7.407 -4.976 1.00 72.31 C ATOM 309 O LEU A 20 12.027 -8.151 -4.002 1.00 74.14 O ATOM 310 CB LEU A 20 13.334 -5.413 -5.450 1.00 1.34 C ATOM 311 CG LEU A 20 14.734 -4.867 -5.735 1.00 55.34 C ATOM 312 CD1 LEU A 20 14.696 -3.354 -5.885 1.00 10.32 C ATOM 313 CD2 LEU A 20 15.700 -5.272 -4.632 1.00 13.33 C ATOM 0 H LEU A 20 12.784 -6.278 -7.710 1.00 73.21 H new ATOM 0 HA LEU A 20 13.995 -7.457 -5.396 1.00 23.30 H new ATOM 0 HB2 LEU A 20 12.617 -4.844 -6.041 1.00 1.34 H new ATOM 0 HB3 LEU A 20 13.100 -5.228 -4.401 1.00 1.34 H new ATOM 0 HG LEU A 20 15.086 -5.296 -6.673 1.00 55.34 H new ATOM 0 HD11 LEU A 20 15.701 -2.983 -6.087 1.00 10.32 H new ATOM 0 HD12 LEU A 20 14.037 -3.087 -6.711 1.00 10.32 H new ATOM 0 HD13 LEU A 20 14.323 -2.906 -4.964 1.00 10.32 H new ATOM 0 HD21 LEU A 20 16.691 -4.875 -4.852 1.00 13.33 H new ATOM 0 HD22 LEU A 20 15.352 -4.873 -3.679 1.00 13.33 H new ATOM 0 HD23 LEU A 20 15.750 -6.359 -4.573 1.00 13.33 H new ATOM 325 N LEU A 21 10.719 -7.002 -5.428 1.00 42.12 N ATOM 326 CA LEU A 21 9.473 -7.417 -4.792 1.00 45.15 C ATOM 327 C LEU A 21 9.334 -8.936 -4.807 1.00 5.23 C ATOM 328 O LEU A 21 8.594 -9.509 -4.008 1.00 13.14 O ATOM 329 CB LEU A 21 8.278 -6.777 -5.502 1.00 24.35 C ATOM 330 CG LEU A 21 8.139 -5.262 -5.349 1.00 24.34 C ATOM 331 CD1 LEU A 21 7.207 -4.702 -6.411 1.00 52.12 C ATOM 332 CD2 LEU A 21 7.637 -4.911 -3.956 1.00 13.30 C ATOM 0 H LEU A 21 10.597 -6.387 -6.232 1.00 42.12 H new ATOM 0 HA LEU A 21 9.494 -7.083 -3.755 1.00 45.15 H new ATOM 0 HB2 LEU A 21 8.345 -7.010 -6.565 1.00 24.35 H new ATOM 0 HB3 LEU A 21 7.367 -7.245 -5.130 1.00 24.35 H new ATOM 0 HG LEU A 21 9.122 -4.810 -5.483 1.00 24.34 H new ATOM 0 HD11 LEU A 21 7.120 -3.623 -6.286 1.00 52.12 H new ATOM 0 HD12 LEU A 21 7.609 -4.922 -7.400 1.00 52.12 H new ATOM 0 HD13 LEU A 21 6.223 -5.159 -6.309 1.00 52.12 H new ATOM 0 HD21 LEU A 21 7.544 -3.829 -3.865 1.00 13.30 H new ATOM 0 HD22 LEU A 21 6.664 -5.374 -3.793 1.00 13.30 H new ATOM 0 HD23 LEU A 21 8.343 -5.279 -3.211 1.00 13.30 H new ATOM 344 N ASP A 22 10.053 -9.582 -5.718 1.00 50.23 N ATOM 345 CA ASP A 22 10.013 -11.035 -5.835 1.00 14.14 C ATOM 346 C ASP A 22 11.093 -11.679 -4.971 1.00 74.31 C ATOM 347 O ASP A 22 11.356 -12.877 -5.080 1.00 13.51 O ATOM 348 CB ASP A 22 10.190 -11.456 -7.294 1.00 63.21 C ATOM 349 CG ASP A 22 9.551 -12.798 -7.591 1.00 73.32 C ATOM 350 OD1 ASP A 22 8.785 -13.293 -6.737 1.00 61.23 O ATOM 351 OD2 ASP A 22 9.815 -13.353 -8.678 1.00 30.30 O ATOM 0 H ASP A 22 10.671 -9.122 -6.387 1.00 50.23 H new ATOM 0 HA ASP A 22 9.040 -11.377 -5.483 1.00 14.14 H new ATOM 0 HB2 ASP A 22 9.753 -10.697 -7.944 1.00 63.21 H new ATOM 0 HB3 ASP A 22 11.253 -11.503 -7.529 1.00 63.21 H new ATOM 356 N ALA A 23 11.715 -10.877 -4.114 1.00 43.44 N ATOM 357 CA ALA A 23 12.766 -11.369 -3.232 1.00 11.41 C ATOM 358 C ALA A 23 12.560 -10.874 -1.804 1.00 43.43 C ATOM 359 O ALA A 23 12.766 -11.616 -0.844 1.00 14.54 O ATOM 360 CB ALA A 23 14.132 -10.942 -3.749 1.00 30.42 C ATOM 0 H ALA A 23 11.509 -9.883 -4.012 1.00 43.44 H new ATOM 0 HA ALA A 23 12.718 -12.458 -3.222 1.00 11.41 H new ATOM 0 HB1 ALA A 23 14.907 -11.316 -3.081 1.00 30.42 H new ATOM 0 HB2 ALA A 23 14.287 -11.349 -4.748 1.00 30.42 H new ATOM 0 HB3 ALA A 23 14.182 -9.854 -3.789 1.00 30.42 H new ATOM 366 N VAL A 24 12.154 -9.615 -1.672 1.00 41.21 N ATOM 367 CA VAL A 24 11.920 -9.021 -0.361 1.00 44.33 C ATOM 368 C VAL A 24 10.768 -9.713 0.358 1.00 0.41 C ATOM 369 O VAL A 24 10.712 -9.731 1.587 1.00 21.43 O ATOM 370 CB VAL A 24 11.611 -7.516 -0.474 1.00 41.02 C ATOM 371 CG1 VAL A 24 12.713 -6.800 -1.240 1.00 24.11 C ATOM 372 CG2 VAL A 24 10.261 -7.299 -1.140 1.00 14.53 C ATOM 0 H VAL A 24 11.980 -8.987 -2.457 1.00 41.21 H new ATOM 0 HA VAL A 24 12.836 -9.154 0.215 1.00 44.33 H new ATOM 0 HB VAL A 24 11.568 -7.095 0.531 1.00 41.02 H new ATOM 0 HG11 VAL A 24 12.477 -5.738 -1.309 1.00 24.11 H new ATOM 0 HG12 VAL A 24 13.661 -6.928 -0.718 1.00 24.11 H new ATOM 0 HG13 VAL A 24 12.792 -7.221 -2.243 1.00 24.11 H new ATOM 0 HG21 VAL A 24 10.058 -6.230 -1.212 1.00 14.53 H new ATOM 0 HG22 VAL A 24 10.274 -7.734 -2.139 1.00 14.53 H new ATOM 0 HG23 VAL A 24 9.482 -7.777 -0.547 1.00 14.53 H new ATOM 382 N ALA A 25 9.850 -10.281 -0.417 1.00 10.02 N ATOM 383 CA ALA A 25 8.700 -10.977 0.146 1.00 14.33 C ATOM 384 C ALA A 25 9.109 -12.318 0.745 1.00 35.15 C ATOM 385 O ALA A 25 8.303 -12.995 1.384 1.00 11.12 O ATOM 386 CB ALA A 25 7.630 -11.176 -0.918 1.00 4.22 C ATOM 0 H ALA A 25 9.881 -10.273 -1.437 1.00 10.02 H new ATOM 0 HA ALA A 25 8.290 -10.361 0.947 1.00 14.33 H new ATOM 0 HB1 ALA A 25 6.777 -11.697 -0.483 1.00 4.22 H new ATOM 0 HB2 ALA A 25 7.308 -10.206 -1.296 1.00 4.22 H new ATOM 0 HB3 ALA A 25 8.038 -11.768 -1.738 1.00 4.22 H new ATOM 392 N SER A 26 10.365 -12.697 0.534 1.00 1.24 N ATOM 393 CA SER A 26 10.880 -13.960 1.050 1.00 35.01 C ATOM 394 C SER A 26 11.915 -13.719 2.145 1.00 54.33 C ATOM 395 O SER A 26 12.165 -14.587 2.980 1.00 43.42 O ATOM 396 CB SER A 26 11.499 -14.783 -0.081 1.00 43.52 C ATOM 397 OG SER A 26 11.408 -16.171 0.189 1.00 44.34 O ATOM 0 H SER A 26 11.045 -12.147 0.009 1.00 1.24 H new ATOM 0 HA SER A 26 10.046 -14.515 1.479 1.00 35.01 H new ATOM 0 HB2 SER A 26 10.991 -14.558 -1.019 1.00 43.52 H new ATOM 0 HB3 SER A 26 12.544 -14.502 -0.209 1.00 43.52 H new ATOM 0 HG SER A 26 11.809 -16.675 -0.550 1.00 44.34 H new ATOM 403 N GLY A 27 12.513 -12.531 2.133 1.00 23.52 N ATOM 404 CA GLY A 27 13.515 -12.196 3.129 1.00 55.13 C ATOM 405 C GLY A 27 13.279 -10.835 3.752 1.00 15.43 C ATOM 406 O GLY A 27 13.256 -10.700 4.975 1.00 30.33 O ATOM 0 H GLY A 27 12.322 -11.796 1.452 1.00 23.52 H new ATOM 0 HA2 GLY A 27 13.514 -12.955 3.911 1.00 55.13 H new ATOM 0 HA3 GLY A 27 14.502 -12.215 2.668 1.00 55.13 H new ATOM 410 N ALA A 28 13.104 -9.822 2.910 1.00 52.22 N ATOM 411 CA ALA A 28 12.868 -8.464 3.386 1.00 62.34 C ATOM 412 C ALA A 28 14.021 -7.981 4.259 1.00 33.14 C ATOM 413 O ALA A 28 13.805 -7.413 5.330 1.00 51.44 O ATOM 414 CB ALA A 28 11.556 -8.394 4.153 1.00 62.30 C ATOM 0 H ALA A 28 13.121 -9.916 1.894 1.00 52.22 H new ATOM 0 HA ALA A 28 12.804 -7.807 2.519 1.00 62.34 H new ATOM 0 HB1 ALA A 28 11.393 -7.375 4.502 1.00 62.30 H new ATOM 0 HB2 ALA A 28 10.736 -8.689 3.499 1.00 62.30 H new ATOM 0 HB3 ALA A 28 11.598 -9.068 5.008 1.00 62.30 H new ATOM 420 N SER A 29 15.245 -8.212 3.796 1.00 2.54 N ATOM 421 CA SER A 29 16.432 -7.803 4.538 1.00 23.44 C ATOM 422 C SER A 29 17.194 -6.715 3.789 1.00 42.14 C ATOM 423 O SER A 29 18.399 -6.541 3.977 1.00 31.24 O ATOM 424 CB SER A 29 17.346 -9.006 4.781 1.00 22.15 C ATOM 425 OG SER A 29 16.972 -9.702 5.958 1.00 55.31 O ATOM 0 H SER A 29 15.441 -8.680 2.911 1.00 2.54 H new ATOM 0 HA SER A 29 16.109 -7.400 5.498 1.00 23.44 H new ATOM 0 HB2 SER A 29 17.300 -9.680 3.926 1.00 22.15 H new ATOM 0 HB3 SER A 29 18.379 -8.670 4.866 1.00 22.15 H new ATOM 0 HG SER A 29 17.570 -10.467 6.090 1.00 55.31 H new ATOM 431 N LEU A 30 16.483 -5.984 2.937 1.00 43.01 N ATOM 432 CA LEU A 30 17.091 -4.911 2.157 1.00 31.12 C ATOM 433 C LEU A 30 17.612 -3.804 3.068 1.00 51.13 C ATOM 434 O LEU A 30 17.506 -3.890 4.290 1.00 33.23 O ATOM 435 CB LEU A 30 16.077 -4.337 1.166 1.00 31.20 C ATOM 436 CG LEU A 30 16.283 -4.717 -0.301 1.00 3.42 C ATOM 437 CD1 LEU A 30 17.641 -4.238 -0.790 1.00 42.41 C ATOM 438 CD2 LEU A 30 16.148 -6.221 -0.487 1.00 14.13 C ATOM 0 H LEU A 30 15.485 -6.115 2.769 1.00 43.01 H new ATOM 0 HA LEU A 30 17.933 -5.328 1.605 1.00 31.12 H new ATOM 0 HB2 LEU A 30 15.081 -4.660 1.468 1.00 31.20 H new ATOM 0 HB3 LEU A 30 16.097 -3.250 1.245 1.00 31.20 H new ATOM 0 HG LEU A 30 15.511 -4.227 -0.895 1.00 3.42 H new ATOM 0 HD11 LEU A 30 17.770 -4.517 -1.836 1.00 42.41 H new ATOM 0 HD12 LEU A 30 17.701 -3.154 -0.694 1.00 42.41 H new ATOM 0 HD13 LEU A 30 18.427 -4.699 -0.192 1.00 42.41 H new ATOM 0 HD21 LEU A 30 16.298 -6.473 -1.537 1.00 14.13 H new ATOM 0 HD22 LEU A 30 16.897 -6.731 0.119 1.00 14.13 H new ATOM 0 HD23 LEU A 30 15.153 -6.538 -0.176 1.00 14.13 H new ATOM 450 N GLY A 31 18.174 -2.762 2.462 1.00 11.13 N ATOM 451 CA GLY A 31 18.701 -1.651 3.234 1.00 70.44 C ATOM 452 C GLY A 31 19.737 -0.854 2.467 1.00 4.45 C ATOM 453 O GLY A 31 19.989 0.312 2.777 1.00 71.35 O ATOM 0 H GLY A 31 18.274 -2.667 1.451 1.00 11.13 H new ATOM 0 HA2 GLY A 31 17.882 -0.993 3.524 1.00 70.44 H new ATOM 0 HA3 GLY A 31 19.146 -2.030 4.154 1.00 70.44 H new ATOM 457 N THR A 32 20.343 -1.482 1.465 1.00 63.03 N ATOM 458 CA THR A 32 21.360 -0.825 0.654 1.00 45.40 C ATOM 459 C THR A 32 20.903 -0.682 -0.793 1.00 54.20 C ATOM 460 O THR A 32 21.293 0.256 -1.488 1.00 22.22 O ATOM 461 CB THR A 32 22.691 -1.600 0.685 1.00 3.43 C ATOM 462 OG1 THR A 32 23.163 -1.709 2.033 1.00 74.41 O ATOM 463 CG2 THR A 32 23.741 -0.906 -0.170 1.00 24.43 C ATOM 0 H THR A 32 20.147 -2.446 1.195 1.00 63.03 H new ATOM 0 HA THR A 32 21.514 0.165 1.083 1.00 45.40 H new ATOM 0 HB THR A 32 22.515 -2.597 0.280 1.00 3.43 H new ATOM 0 HG1 THR A 32 24.009 -2.204 2.044 1.00 74.41 H new ATOM 0 HG21 THR A 32 24.672 -1.471 -0.133 1.00 24.43 H new ATOM 0 HG22 THR A 32 23.392 -0.850 -1.201 1.00 24.43 H new ATOM 0 HG23 THR A 32 23.912 0.101 0.210 1.00 24.43 H new ATOM 471 N ALA A 33 20.072 -1.617 -1.241 1.00 33.31 N ATOM 472 CA ALA A 33 19.558 -1.594 -2.605 1.00 4.50 C ATOM 473 C ALA A 33 18.206 -0.893 -2.670 1.00 53.24 C ATOM 474 O ALA A 33 17.813 -0.375 -3.716 1.00 44.13 O ATOM 475 CB ALA A 33 19.449 -3.009 -3.152 1.00 51.14 C ATOM 0 H ALA A 33 19.740 -2.401 -0.679 1.00 33.31 H new ATOM 0 HA ALA A 33 20.259 -1.032 -3.222 1.00 4.50 H new ATOM 0 HB1 ALA A 33 19.064 -2.976 -4.171 1.00 51.14 H new ATOM 0 HB2 ALA A 33 20.434 -3.476 -3.151 1.00 51.14 H new ATOM 0 HB3 ALA A 33 18.771 -3.590 -2.526 1.00 51.14 H new ATOM 481 N PHE A 34 17.496 -0.881 -1.547 1.00 52.30 N ATOM 482 CA PHE A 34 16.185 -0.245 -1.478 1.00 4.25 C ATOM 483 C PHE A 34 16.313 1.274 -1.558 1.00 32.40 C ATOM 484 O PHE A 34 15.423 1.956 -2.066 1.00 21.25 O ATOM 485 CB PHE A 34 15.471 -0.640 -0.183 1.00 61.14 C ATOM 486 CG PHE A 34 13.974 -0.634 -0.299 1.00 54.23 C ATOM 487 CD1 PHE A 34 13.328 -1.517 -1.149 1.00 73.03 C ATOM 488 CD2 PHE A 34 13.212 0.255 0.442 1.00 31.32 C ATOM 489 CE1 PHE A 34 11.950 -1.513 -1.258 1.00 51.33 C ATOM 490 CE2 PHE A 34 11.834 0.263 0.338 1.00 54.43 C ATOM 491 CZ PHE A 34 11.202 -0.622 -0.513 1.00 31.30 C ATOM 0 H PHE A 34 17.806 -1.304 -0.672 1.00 52.30 H new ATOM 0 HA PHE A 34 15.597 -0.588 -2.329 1.00 4.25 H new ATOM 0 HB2 PHE A 34 15.800 -1.635 0.115 1.00 61.14 H new ATOM 0 HB3 PHE A 34 15.769 0.045 0.610 1.00 61.14 H new ATOM 0 HD1 PHE A 34 13.908 -2.216 -1.733 1.00 73.03 H new ATOM 0 HD2 PHE A 34 13.701 0.950 1.109 1.00 31.32 H new ATOM 0 HE1 PHE A 34 11.459 -2.206 -1.925 1.00 51.33 H new ATOM 0 HE2 PHE A 34 11.252 0.961 0.922 1.00 54.43 H new ATOM 0 HZ PHE A 34 10.125 -0.618 -0.596 1.00 31.30 H new ATOM 501 N ALA A 35 17.426 1.796 -1.053 1.00 33.43 N ATOM 502 CA ALA A 35 17.671 3.232 -1.068 1.00 41.33 C ATOM 503 C ALA A 35 18.123 3.697 -2.449 1.00 15.34 C ATOM 504 O ALA A 35 17.960 4.864 -2.805 1.00 22.03 O ATOM 505 CB ALA A 35 18.709 3.602 -0.019 1.00 62.21 C ATOM 0 H ALA A 35 18.172 1.245 -0.628 1.00 33.43 H new ATOM 0 HA ALA A 35 16.735 3.738 -0.831 1.00 41.33 H new ATOM 0 HB1 ALA A 35 18.882 4.678 -0.042 1.00 62.21 H new ATOM 0 HB2 ALA A 35 18.348 3.313 0.968 1.00 62.21 H new ATOM 0 HB3 ALA A 35 19.642 3.080 -0.231 1.00 62.21 H new ATOM 511 N ALA A 36 18.690 2.777 -3.221 1.00 45.24 N ATOM 512 CA ALA A 36 19.164 3.093 -4.563 1.00 41.12 C ATOM 513 C ALA A 36 18.012 3.112 -5.562 1.00 30.41 C ATOM 514 O ALA A 36 18.147 3.631 -6.670 1.00 63.02 O ATOM 515 CB ALA A 36 20.226 2.093 -4.997 1.00 55.13 C ATOM 0 H ALA A 36 18.833 1.807 -2.941 1.00 45.24 H new ATOM 0 HA ALA A 36 19.607 4.089 -4.540 1.00 41.12 H new ATOM 0 HB1 ALA A 36 20.571 2.341 -6.001 1.00 55.13 H new ATOM 0 HB2 ALA A 36 21.067 2.132 -4.305 1.00 55.13 H new ATOM 0 HB3 ALA A 36 19.802 1.089 -4.997 1.00 55.13 H new ATOM 521 N ILE A 37 16.880 2.542 -5.163 1.00 21.51 N ATOM 522 CA ILE A 37 15.705 2.493 -6.024 1.00 13.44 C ATOM 523 C ILE A 37 14.669 3.529 -5.598 1.00 62.24 C ATOM 524 O ILE A 37 13.889 4.016 -6.418 1.00 4.20 O ATOM 525 CB ILE A 37 15.054 1.098 -6.010 1.00 71.43 C ATOM 526 CG1 ILE A 37 14.743 0.670 -4.575 1.00 32.44 C ATOM 527 CG2 ILE A 37 15.964 0.083 -6.686 1.00 32.40 C ATOM 528 CD1 ILE A 37 13.891 -0.577 -4.487 1.00 21.40 C ATOM 0 H ILE A 37 16.752 2.108 -4.249 1.00 21.51 H new ATOM 0 HA ILE A 37 16.045 2.716 -7.035 1.00 13.44 H new ATOM 0 HB ILE A 37 14.117 1.145 -6.566 1.00 71.43 H new ATOM 0 HG12 ILE A 37 15.680 0.498 -4.045 1.00 32.44 H new ATOM 0 HG13 ILE A 37 14.232 1.486 -4.064 1.00 32.44 H new ATOM 0 HG21 ILE A 37 15.491 -0.899 -6.668 1.00 32.40 H new ATOM 0 HG22 ILE A 37 16.139 0.383 -7.719 1.00 32.40 H new ATOM 0 HG23 ILE A 37 16.915 0.037 -6.155 1.00 32.40 H new ATOM 0 HD11 ILE A 37 13.711 -0.821 -3.440 1.00 21.40 H new ATOM 0 HD12 ILE A 37 12.939 -0.403 -4.988 1.00 21.40 H new ATOM 0 HD13 ILE A 37 14.409 -1.406 -4.969 1.00 21.40 H new ATOM 540 N LEU A 38 14.668 3.862 -4.313 1.00 13.35 N ATOM 541 CA LEU A 38 13.729 4.842 -3.777 1.00 40.43 C ATOM 542 C LEU A 38 14.348 6.236 -3.760 1.00 51.43 C ATOM 543 O LEU A 38 13.836 7.146 -3.109 1.00 51.14 O ATOM 544 CB LEU A 38 13.298 4.446 -2.364 1.00 52.02 C ATOM 545 CG LEU A 38 11.981 3.676 -2.255 1.00 43.03 C ATOM 546 CD1 LEU A 38 12.182 2.219 -2.641 1.00 32.31 C ATOM 547 CD2 LEU A 38 11.415 3.784 -0.847 1.00 23.12 C ATOM 0 H LEU A 38 15.307 3.468 -3.622 1.00 13.35 H new ATOM 0 HA LEU A 38 12.853 4.861 -4.425 1.00 40.43 H new ATOM 0 HB2 LEU A 38 14.088 3.839 -1.921 1.00 52.02 H new ATOM 0 HB3 LEU A 38 13.217 5.352 -1.763 1.00 52.02 H new ATOM 0 HG LEU A 38 11.265 4.118 -2.947 1.00 43.03 H new ATOM 0 HD11 LEU A 38 11.235 1.686 -2.558 1.00 32.31 H new ATOM 0 HD12 LEU A 38 12.542 2.161 -3.668 1.00 32.31 H new ATOM 0 HD13 LEU A 38 12.914 1.764 -1.974 1.00 32.31 H new ATOM 0 HD21 LEU A 38 10.478 3.230 -0.788 1.00 23.12 H new ATOM 0 HD22 LEU A 38 12.128 3.368 -0.135 1.00 23.12 H new ATOM 0 HD23 LEU A 38 11.233 4.832 -0.607 1.00 23.12 H new ATOM 559 N GLY A 39 15.453 6.397 -4.483 1.00 34.12 N ATOM 560 CA GLY A 39 16.122 7.683 -4.539 1.00 0.34 C ATOM 561 C GLY A 39 15.954 8.366 -5.881 1.00 40.53 C ATOM 562 O GLY A 39 16.238 9.556 -6.021 1.00 11.34 O ATOM 0 H GLY A 39 15.896 5.659 -5.031 1.00 34.12 H new ATOM 0 HA2 GLY A 39 15.728 8.329 -3.754 1.00 0.34 H new ATOM 0 HA3 GLY A 39 17.184 7.546 -4.335 1.00 0.34 H new ATOM 566 N VAL A 40 15.493 7.612 -6.874 1.00 14.22 N ATOM 567 CA VAL A 40 15.288 8.152 -8.213 1.00 31.23 C ATOM 568 C VAL A 40 14.044 9.032 -8.266 1.00 61.23 C ATOM 569 O VAL A 40 13.985 9.998 -9.027 1.00 41.15 O ATOM 570 CB VAL A 40 15.153 7.027 -9.257 1.00 1.34 C ATOM 571 CG1 VAL A 40 14.063 6.048 -8.849 1.00 20.12 C ATOM 572 CG2 VAL A 40 14.870 7.610 -10.633 1.00 62.21 C ATOM 0 H VAL A 40 15.254 6.625 -6.776 1.00 14.22 H new ATOM 0 HA VAL A 40 16.165 8.754 -8.450 1.00 31.23 H new ATOM 0 HB VAL A 40 16.096 6.483 -9.305 1.00 1.34 H new ATOM 0 HG11 VAL A 40 13.982 5.261 -9.598 1.00 20.12 H new ATOM 0 HG12 VAL A 40 14.313 5.607 -7.884 1.00 20.12 H new ATOM 0 HG13 VAL A 40 13.112 6.574 -8.772 1.00 20.12 H new ATOM 0 HG21 VAL A 40 14.778 6.802 -11.359 1.00 62.21 H new ATOM 0 HG22 VAL A 40 13.941 8.179 -10.603 1.00 62.21 H new ATOM 0 HG23 VAL A 40 15.689 8.268 -10.925 1.00 62.21 H new ATOM 582 N THR A 41 13.050 8.692 -7.452 1.00 74.30 N ATOM 583 CA THR A 41 11.806 9.450 -7.406 1.00 72.15 C ATOM 584 C THR A 41 11.327 9.634 -5.971 1.00 54.42 C ATOM 585 O THR A 41 10.861 10.711 -5.595 1.00 21.13 O ATOM 586 CB THR A 41 10.696 8.759 -8.221 1.00 63.43 C ATOM 587 OG1 THR A 41 9.439 9.399 -7.979 1.00 11.33 O ATOM 588 CG2 THR A 41 10.598 7.284 -7.860 1.00 1.33 C ATOM 0 H THR A 41 13.082 7.896 -6.815 1.00 74.30 H new ATOM 0 HA THR A 41 12.015 10.426 -7.845 1.00 72.15 H new ATOM 0 HB THR A 41 10.947 8.842 -9.278 1.00 63.43 H new ATOM 0 HG1 THR A 41 8.710 8.801 -8.246 1.00 11.33 H new ATOM 0 HG21 THR A 41 9.808 6.817 -8.448 1.00 1.33 H new ATOM 0 HG22 THR A 41 11.547 6.793 -8.074 1.00 1.33 H new ATOM 0 HG23 THR A 41 10.369 7.184 -6.799 1.00 1.33 H new ATOM 596 N LEU A 42 11.444 8.579 -5.173 1.00 74.12 N ATOM 597 CA LEU A 42 11.023 8.625 -3.777 1.00 74.22 C ATOM 598 C LEU A 42 12.008 9.432 -2.938 1.00 31.44 C ATOM 599 O LEU A 42 13.159 9.644 -3.320 1.00 53.20 O ATOM 600 CB LEU A 42 10.897 7.208 -3.215 1.00 70.30 C ATOM 601 CG LEU A 42 9.535 6.534 -3.391 1.00 4.24 C ATOM 602 CD1 LEU A 42 9.513 5.700 -4.662 1.00 34.22 C ATOM 603 CD2 LEU A 42 9.206 5.674 -2.180 1.00 31.35 C ATOM 0 H LEU A 42 11.827 7.681 -5.468 1.00 74.12 H new ATOM 0 HA LEU A 42 10.050 9.114 -3.732 1.00 74.22 H new ATOM 0 HB2 LEU A 42 11.653 6.582 -3.689 1.00 70.30 H new ATOM 0 HB3 LEU A 42 11.130 7.239 -2.151 1.00 70.30 H new ATOM 0 HG LEU A 42 8.775 7.310 -3.478 1.00 4.24 H new ATOM 0 HD11 LEU A 42 8.536 5.228 -4.771 1.00 34.22 H new ATOM 0 HD12 LEU A 42 9.703 6.342 -5.522 1.00 34.22 H new ATOM 0 HD13 LEU A 42 10.283 4.931 -4.606 1.00 34.22 H new ATOM 0 HD21 LEU A 42 8.234 5.202 -2.322 1.00 31.35 H new ATOM 0 HD22 LEU A 42 9.969 4.905 -2.062 1.00 31.35 H new ATOM 0 HD23 LEU A 42 9.179 6.298 -1.287 1.00 31.35 H new ATOM 615 N PRO A 43 11.548 9.891 -1.764 1.00 63.21 N ATOM 616 CA PRO A 43 12.374 10.679 -0.844 1.00 60.04 C ATOM 617 C PRO A 43 13.477 9.848 -0.199 1.00 24.23 C ATOM 618 O PRO A 43 13.711 8.703 -0.584 1.00 32.42 O ATOM 619 CB PRO A 43 11.374 11.153 0.213 1.00 54.13 C ATOM 620 CG PRO A 43 10.282 10.140 0.183 1.00 71.04 C ATOM 621 CD PRO A 43 10.187 9.675 -1.244 1.00 45.34 C ATOM 0 HA PRO A 43 12.892 11.491 -1.355 1.00 60.04 H new ATOM 0 HB2 PRO A 43 11.836 11.208 1.199 1.00 54.13 H new ATOM 0 HB3 PRO A 43 10.996 12.149 -0.018 1.00 54.13 H new ATOM 0 HG2 PRO A 43 10.504 9.307 0.851 1.00 71.04 H new ATOM 0 HG3 PRO A 43 9.339 10.573 0.516 1.00 71.04 H new ATOM 0 HD2 PRO A 43 9.894 8.627 -1.307 1.00 45.34 H new ATOM 0 HD3 PRO A 43 9.447 10.246 -1.805 1.00 45.34 H new ATOM 629 N ALA A 44 14.153 10.432 0.786 1.00 71.05 N ATOM 630 CA ALA A 44 15.230 9.744 1.486 1.00 21.12 C ATOM 631 C ALA A 44 14.765 9.241 2.849 1.00 63.24 C ATOM 632 O ALA A 44 15.271 8.240 3.357 1.00 70.15 O ATOM 633 CB ALA A 44 16.431 10.665 1.643 1.00 12.10 C ATOM 0 H ALA A 44 13.973 11.380 1.117 1.00 71.05 H new ATOM 0 HA ALA A 44 15.524 8.880 0.890 1.00 21.12 H new ATOM 0 HB1 ALA A 44 17.228 10.138 2.168 1.00 12.10 H new ATOM 0 HB2 ALA A 44 16.785 10.972 0.659 1.00 12.10 H new ATOM 0 HB3 ALA A 44 16.141 11.546 2.215 1.00 12.10 H new ATOM 639 N TRP A 45 13.801 9.941 3.435 1.00 43.10 N ATOM 640 CA TRP A 45 13.269 9.565 4.740 1.00 62.01 C ATOM 641 C TRP A 45 12.488 8.258 4.653 1.00 3.33 C ATOM 642 O TRP A 45 12.465 7.475 5.602 1.00 62.42 O ATOM 643 CB TRP A 45 12.370 10.675 5.286 1.00 4.44 C ATOM 644 CG TRP A 45 11.123 10.880 4.481 1.00 33.14 C ATOM 645 CD1 TRP A 45 10.916 11.822 3.515 1.00 43.32 C ATOM 646 CD2 TRP A 45 9.909 10.126 4.575 1.00 22.12 C ATOM 647 NE1 TRP A 45 9.647 11.700 3.002 1.00 23.31 N ATOM 648 CE2 TRP A 45 9.010 10.666 3.635 1.00 33.22 C ATOM 649 CE3 TRP A 45 9.496 9.046 5.360 1.00 54.21 C ATOM 650 CZ2 TRP A 45 7.723 10.162 3.462 1.00 42.20 C ATOM 651 CZ3 TRP A 45 8.218 8.548 5.187 1.00 25.30 C ATOM 652 CH2 TRP A 45 7.345 9.105 4.244 1.00 73.22 C ATOM 0 H TRP A 45 13.372 10.772 3.028 1.00 43.10 H new ATOM 0 HA TRP A 45 14.109 9.420 5.419 1.00 62.01 H new ATOM 0 HB2 TRP A 45 12.095 10.438 6.314 1.00 4.44 H new ATOM 0 HB3 TRP A 45 12.933 11.608 5.314 1.00 4.44 H new ATOM 0 HD1 TRP A 45 11.643 12.556 3.200 1.00 43.32 H new ATOM 0 HE1 TRP A 45 9.245 12.284 2.269 1.00 23.31 H new ATOM 0 HE3 TRP A 45 10.163 8.609 6.088 1.00 54.21 H new ATOM 0 HZ2 TRP A 45 7.048 10.590 2.736 1.00 42.20 H new ATOM 0 HZ3 TRP A 45 7.887 7.715 5.789 1.00 25.30 H new ATOM 0 HH2 TRP A 45 6.353 8.692 4.132 1.00 73.22 H new ATOM 663 N ALA A 46 11.850 8.030 3.510 1.00 20.12 N ATOM 664 CA ALA A 46 11.070 6.817 3.300 1.00 61.40 C ATOM 665 C ALA A 46 11.910 5.571 3.563 1.00 42.52 C ATOM 666 O ALA A 46 11.382 4.517 3.920 1.00 50.53 O ATOM 667 CB ALA A 46 10.509 6.788 1.886 1.00 50.30 C ATOM 0 H ALA A 46 11.858 8.669 2.715 1.00 20.12 H new ATOM 0 HA ALA A 46 10.241 6.821 4.008 1.00 61.40 H new ATOM 0 HB1 ALA A 46 9.929 5.876 1.743 1.00 50.30 H new ATOM 0 HB2 ALA A 46 9.867 7.655 1.732 1.00 50.30 H new ATOM 0 HB3 ALA A 46 11.329 6.812 1.169 1.00 50.30 H new ATOM 673 N LEU A 47 13.220 5.699 3.384 1.00 63.03 N ATOM 674 CA LEU A 47 14.134 4.583 3.601 1.00 24.00 C ATOM 675 C LEU A 47 14.226 4.235 5.083 1.00 30.23 C ATOM 676 O LEU A 47 14.360 3.068 5.450 1.00 74.33 O ATOM 677 CB LEU A 47 15.524 4.923 3.059 1.00 73.15 C ATOM 678 CG LEU A 47 15.560 5.639 1.708 1.00 1.21 C ATOM 679 CD1 LEU A 47 16.994 5.952 1.308 1.00 14.34 C ATOM 680 CD2 LEU A 47 14.878 4.797 0.639 1.00 2.43 C ATOM 0 H LEU A 47 13.673 6.564 3.089 1.00 63.03 H new ATOM 0 HA LEU A 47 13.744 3.717 3.066 1.00 24.00 H new ATOM 0 HB2 LEU A 47 16.036 5.547 3.792 1.00 73.15 H new ATOM 0 HB3 LEU A 47 16.095 3.998 2.973 1.00 73.15 H new ATOM 0 HG LEU A 47 15.017 6.579 1.802 1.00 1.21 H new ATOM 0 HD11 LEU A 47 17.000 6.461 0.344 1.00 14.34 H new ATOM 0 HD12 LEU A 47 17.450 6.595 2.061 1.00 14.34 H new ATOM 0 HD13 LEU A 47 17.561 5.024 1.232 1.00 14.34 H new ATOM 0 HD21 LEU A 47 14.913 5.322 -0.315 1.00 2.43 H new ATOM 0 HD22 LEU A 47 15.393 3.841 0.546 1.00 2.43 H new ATOM 0 HD23 LEU A 47 13.839 4.624 0.920 1.00 2.43 H new ATOM 692 N ALA A 48 14.151 5.255 5.931 1.00 1.42 N ATOM 693 CA ALA A 48 14.221 5.057 7.374 1.00 62.14 C ATOM 694 C ALA A 48 12.926 4.456 7.909 1.00 60.44 C ATOM 695 O ALA A 48 12.922 3.782 8.938 1.00 24.14 O ATOM 696 CB ALA A 48 14.523 6.374 8.074 1.00 74.25 C ATOM 0 H ALA A 48 14.042 6.228 5.644 1.00 1.42 H new ATOM 0 HA ALA A 48 15.029 4.355 7.581 1.00 62.14 H new ATOM 0 HB1 ALA A 48 14.572 6.211 9.151 1.00 74.25 H new ATOM 0 HB2 ALA A 48 15.479 6.763 7.722 1.00 74.25 H new ATOM 0 HB3 ALA A 48 13.735 7.093 7.852 1.00 74.25 H new ATOM 702 N ALA A 49 11.828 4.704 7.203 1.00 52.23 N ATOM 703 CA ALA A 49 10.527 4.186 7.606 1.00 14.04 C ATOM 704 C ALA A 49 10.288 2.794 7.032 1.00 72.13 C ATOM 705 O ALA A 49 9.546 1.995 7.603 1.00 53.43 O ATOM 706 CB ALA A 49 9.421 5.136 7.170 1.00 44.24 C ATOM 0 H ALA A 49 11.814 5.261 6.349 1.00 52.23 H new ATOM 0 HA ALA A 49 10.516 4.109 8.693 1.00 14.04 H new ATOM 0 HB1 ALA A 49 8.455 4.736 7.478 1.00 44.24 H new ATOM 0 HB2 ALA A 49 9.575 6.110 7.634 1.00 44.24 H new ATOM 0 HB3 ALA A 49 9.440 5.243 6.085 1.00 44.24 H new ATOM 712 N ALA A 50 10.921 2.510 5.898 1.00 11.12 N ATOM 713 CA ALA A 50 10.778 1.214 5.247 1.00 31.23 C ATOM 714 C ALA A 50 11.143 0.079 6.198 1.00 31.20 C ATOM 715 O ALA A 50 10.632 -1.034 6.077 1.00 13.34 O ATOM 716 CB ALA A 50 11.640 1.154 3.995 1.00 23.12 C ATOM 0 H ALA A 50 11.538 3.161 5.411 1.00 11.12 H new ATOM 0 HA ALA A 50 9.733 1.092 4.961 1.00 31.23 H new ATOM 0 HB1 ALA A 50 11.523 0.180 3.519 1.00 23.12 H new ATOM 0 HB2 ALA A 50 11.330 1.936 3.302 1.00 23.12 H new ATOM 0 HB3 ALA A 50 12.685 1.303 4.266 1.00 23.12 H new ATOM 722 N GLY A 51 12.032 0.368 7.144 1.00 74.30 N ATOM 723 CA GLY A 51 12.450 -0.640 8.101 1.00 3.40 C ATOM 724 C GLY A 51 11.285 -1.227 8.872 1.00 12.31 C ATOM 725 O GLY A 51 11.181 -2.444 9.021 1.00 13.33 O ATOM 0 H GLY A 51 12.470 1.281 7.265 1.00 74.30 H new ATOM 0 HA2 GLY A 51 12.974 -1.439 7.577 1.00 3.40 H new ATOM 0 HA3 GLY A 51 13.160 -0.199 8.801 1.00 3.40 H new ATOM 729 N ALA A 52 10.406 -0.360 9.365 1.00 45.51 N ATOM 730 CA ALA A 52 9.243 -0.799 10.125 1.00 72.14 C ATOM 731 C ALA A 52 7.965 -0.159 9.592 1.00 64.15 C ATOM 732 O ALA A 52 7.546 0.900 10.062 1.00 63.55 O ATOM 733 CB ALA A 52 9.422 -0.474 11.600 1.00 22.31 C ATOM 0 H ALA A 52 10.478 0.651 9.251 1.00 45.51 H new ATOM 0 HA ALA A 52 9.153 -1.879 10.011 1.00 72.14 H new ATOM 0 HB1 ALA A 52 8.545 -0.808 12.155 1.00 22.31 H new ATOM 0 HB2 ALA A 52 10.308 -0.983 11.980 1.00 22.31 H new ATOM 0 HB3 ALA A 52 9.541 0.602 11.724 1.00 22.31 H new ATOM 739 N LEU A 53 7.351 -0.807 8.608 1.00 52.31 N ATOM 740 CA LEU A 53 6.120 -0.300 8.010 1.00 64.12 C ATOM 741 C LEU A 53 5.035 -1.371 8.008 1.00 73.42 C ATOM 742 O LEU A 53 5.327 -2.566 7.977 1.00 61.05 O ATOM 743 CB LEU A 53 6.384 0.178 6.581 1.00 71.01 C ATOM 744 CG LEU A 53 6.419 -0.908 5.505 1.00 24.54 C ATOM 745 CD1 LEU A 53 6.502 -0.286 4.120 1.00 0.03 C ATOM 746 CD2 LEU A 53 7.590 -1.852 5.739 1.00 45.21 C ATOM 0 H LEU A 53 7.685 -1.684 8.207 1.00 52.31 H new ATOM 0 HA LEU A 53 5.773 0.541 8.610 1.00 64.12 H new ATOM 0 HB2 LEU A 53 5.614 0.902 6.313 1.00 71.01 H new ATOM 0 HB3 LEU A 53 7.337 0.707 6.566 1.00 71.01 H new ATOM 0 HG LEU A 53 5.495 -1.484 5.567 1.00 24.54 H new ATOM 0 HD11 LEU A 53 6.526 -1.075 3.368 1.00 0.03 H new ATOM 0 HD12 LEU A 53 5.631 0.348 3.953 1.00 0.03 H new ATOM 0 HD13 LEU A 53 7.408 0.315 4.045 1.00 0.03 H new ATOM 0 HD21 LEU A 53 7.600 -2.619 4.964 1.00 45.21 H new ATOM 0 HD22 LEU A 53 8.523 -1.290 5.705 1.00 45.21 H new ATOM 0 HD23 LEU A 53 7.487 -2.325 6.716 1.00 45.21 H new ATOM 758 N GLY A 54 3.779 -0.935 8.039 1.00 2.32 N ATOM 759 CA GLY A 54 2.669 -1.869 8.038 1.00 14.22 C ATOM 760 C GLY A 54 1.884 -1.836 6.742 1.00 42.44 C ATOM 761 O GLY A 54 0.681 -1.578 6.743 1.00 50.33 O ATOM 0 H GLY A 54 3.511 0.049 8.065 1.00 2.32 H new ATOM 0 HA2 GLY A 54 3.047 -2.878 8.204 1.00 14.22 H new ATOM 0 HA3 GLY A 54 2.003 -1.637 8.869 1.00 14.22 H new ATOM 765 N ALA A 55 2.567 -2.096 5.632 1.00 45.23 N ATOM 766 CA ALA A 55 1.927 -2.095 4.322 1.00 11.14 C ATOM 767 C ALA A 55 0.811 -3.132 4.257 1.00 51.15 C ATOM 768 O ALA A 55 -0.201 -2.929 3.584 1.00 21.42 O ATOM 769 CB ALA A 55 2.955 -2.354 3.231 1.00 4.55 C ATOM 0 H ALA A 55 3.564 -2.310 5.614 1.00 45.23 H new ATOM 0 HA ALA A 55 1.485 -1.112 4.162 1.00 11.14 H new ATOM 0 HB1 ALA A 55 2.462 -2.350 2.259 1.00 4.55 H new ATOM 0 HB2 ALA A 55 3.716 -1.574 3.255 1.00 4.55 H new ATOM 0 HB3 ALA A 55 3.424 -3.324 3.396 1.00 4.55 H new ATOM 775 N THR A 56 1.001 -4.245 4.958 1.00 2.04 N ATOM 776 CA THR A 56 0.012 -5.315 4.978 1.00 53.20 C ATOM 777 C THR A 56 -0.652 -5.475 3.615 1.00 12.31 C ATOM 778 O THR A 56 -1.871 -5.617 3.521 1.00 41.12 O ATOM 779 CB THR A 56 -1.075 -5.056 6.038 1.00 1.45 C ATOM 780 OG1 THR A 56 -2.026 -6.126 6.038 1.00 65.52 O ATOM 781 CG2 THR A 56 -1.787 -3.738 5.772 1.00 34.13 C ATOM 0 H THR A 56 1.832 -4.429 5.520 1.00 2.04 H new ATOM 0 HA THR A 56 0.544 -6.232 5.230 1.00 53.20 H new ATOM 0 HB THR A 56 -0.593 -5.000 7.014 1.00 1.45 H new ATOM 0 HG1 THR A 56 -2.281 -6.337 5.116 1.00 65.52 H new ATOM 0 HG21 THR A 56 -2.550 -3.577 6.533 1.00 34.13 H new ATOM 0 HG22 THR A 56 -1.065 -2.922 5.803 1.00 34.13 H new ATOM 0 HG23 THR A 56 -2.256 -3.770 4.789 1.00 34.13 H new ATOM 789 N ALA A 57 0.157 -5.451 2.561 1.00 23.23 N ATOM 790 CA ALA A 57 -0.352 -5.596 1.203 1.00 31.54 C ATOM 791 C ALA A 57 -1.255 -4.427 0.828 1.00 53.32 C ATOM 792 O ALA A 57 -2.420 -4.617 0.478 1.00 2.32 O ATOM 793 CB ALA A 57 -1.102 -6.912 1.059 1.00 31.40 C ATOM 0 H ALA A 57 1.168 -5.332 2.622 1.00 23.23 H new ATOM 0 HA ALA A 57 0.498 -5.598 0.521 1.00 31.54 H new ATOM 0 HB1 ALA A 57 -1.477 -7.008 0.040 1.00 31.40 H new ATOM 0 HB2 ALA A 57 -0.428 -7.741 1.277 1.00 31.40 H new ATOM 0 HB3 ALA A 57 -1.939 -6.932 1.757 1.00 31.40 H new ATOM 799 N ALA A 58 -0.711 -3.217 0.903 1.00 3.31 N ATOM 800 CA ALA A 58 -1.467 -2.016 0.570 1.00 74.44 C ATOM 801 C ALA A 58 -0.916 -1.352 -0.687 1.00 54.43 C ATOM 802 O ALA A 58 -1.646 -1.129 -1.654 1.00 73.23 O ATOM 803 CB ALA A 58 -1.450 -1.040 1.736 1.00 25.14 C ATOM 0 H ALA A 58 0.252 -3.042 1.192 1.00 3.31 H new ATOM 0 HA ALA A 58 -2.498 -2.309 0.372 1.00 74.44 H new ATOM 0 HB1 ALA A 58 -2.019 -0.148 1.472 1.00 25.14 H new ATOM 0 HB2 ALA A 58 -1.898 -1.511 2.611 1.00 25.14 H new ATOM 0 HB3 ALA A 58 -0.421 -0.761 1.962 1.00 25.14 H new