USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 644 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 Single : A 1 MET CE :methyl -119:sc= -0.441 (180deg=-0.718) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -136:sc= -0.673 (180deg=-3.53!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0339) USER MOD Single : A 22 MET CE :methyl -110:sc= -0.148 (180deg=-3.41!) USER MOD Single : A 25 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.078) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.0619 (180deg=-0.387) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.0068) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0.722 (180deg=0.576) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.021 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.216 13.846 6.197 1.00 44.14 N ATOM 2 CA MET A 1 -3.789 12.668 5.491 1.00 34.40 C ATOM 3 C MET A 1 -2.988 11.400 5.832 1.00 23.25 C ATOM 4 O MET A 1 -1.766 11.373 5.677 1.00 34.44 O ATOM 5 CB MET A 1 -3.794 12.911 3.971 1.00 44.15 C ATOM 6 CG MET A 1 -4.864 12.129 3.212 1.00 15.31 C ATOM 7 SD MET A 1 -4.745 10.342 3.427 1.00 51.44 S ATOM 8 CE MET A 1 -3.178 9.989 2.632 1.00 1.12 C ATOM 0 H1 MET A 1 -3.766 14.695 5.958 1.00 44.14 H new ATOM 0 H2 MET A 1 -3.253 13.687 7.224 1.00 44.14 H new ATOM 0 H3 MET A 1 -2.227 13.980 5.903 1.00 44.14 H new ATOM 0 HA MET A 1 -4.817 12.525 5.823 1.00 34.40 H new ATOM 0 HB2 MET A 1 -3.939 13.975 3.786 1.00 44.15 H new ATOM 0 HB3 MET A 1 -2.815 12.648 3.570 1.00 44.15 H new ATOM 0 HG2 MET A 1 -5.848 12.461 3.543 1.00 15.31 H new ATOM 0 HG3 MET A 1 -4.789 12.364 2.150 1.00 15.31 H new ATOM 0 HE1 MET A 1 -3.340 9.311 1.794 1.00 1.12 H new ATOM 0 HE2 MET A 1 -2.737 10.917 2.268 1.00 1.12 H new ATOM 0 HE3 MET A 1 -2.503 9.523 3.350 1.00 1.12 H new ATOM 20 N GLU A 2 -3.683 10.361 6.291 1.00 51.12 N ATOM 21 CA GLU A 2 -3.051 9.103 6.715 1.00 4.45 C ATOM 22 C GLU A 2 -3.829 7.893 6.171 1.00 52.42 C ATOM 23 O GLU A 2 -5.061 7.905 6.144 1.00 13.40 O ATOM 24 CB GLU A 2 -2.997 9.039 8.250 1.00 22.20 C ATOM 25 CG GLU A 2 -2.173 10.156 8.885 1.00 32.31 C ATOM 26 CD GLU A 2 -2.326 10.223 10.398 1.00 70.51 C ATOM 27 OE1 GLU A 2 -1.552 9.551 11.111 1.00 14.14 O ATOM 28 OE2 GLU A 2 -3.219 10.952 10.879 1.00 10.32 O ATOM 0 H GLU A 2 -4.699 10.363 6.381 1.00 51.12 H new ATOM 0 HA GLU A 2 -2.038 9.072 6.314 1.00 4.45 H new ATOM 0 HB2 GLU A 2 -4.013 9.082 8.642 1.00 22.20 H new ATOM 0 HB3 GLU A 2 -2.580 8.077 8.550 1.00 22.20 H new ATOM 0 HG2 GLU A 2 -1.122 10.009 8.638 1.00 32.31 H new ATOM 0 HG3 GLU A 2 -2.472 11.111 8.453 1.00 32.31 H new ATOM 35 N MET A 3 -3.115 6.851 5.748 1.00 11.44 N ATOM 36 CA MET A 3 -3.758 5.666 5.162 1.00 74.50 C ATOM 37 C MET A 3 -3.027 4.358 5.540 1.00 64.30 C ATOM 38 O MET A 3 -1.842 4.187 5.243 1.00 72.35 O ATOM 39 CB MET A 3 -3.840 5.827 3.633 1.00 42.43 C ATOM 40 CG MET A 3 -2.498 6.037 2.941 1.00 2.14 C ATOM 41 SD MET A 3 -2.672 6.613 1.237 1.00 52.54 S ATOM 42 CE MET A 3 -3.772 5.378 0.546 1.00 74.11 C ATOM 0 H MET A 3 -2.098 6.799 5.798 1.00 11.44 H new ATOM 0 HA MET A 3 -4.765 5.591 5.573 1.00 74.50 H new ATOM 0 HB2 MET A 3 -4.315 4.940 3.213 1.00 42.43 H new ATOM 0 HB3 MET A 3 -4.487 6.674 3.405 1.00 42.43 H new ATOM 0 HG2 MET A 3 -1.912 6.761 3.507 1.00 2.14 H new ATOM 0 HG3 MET A 3 -1.940 5.101 2.948 1.00 2.14 H new ATOM 0 HE1 MET A 3 -3.411 5.079 -0.438 1.00 74.11 H new ATOM 0 HE2 MET A 3 -3.800 4.508 1.202 1.00 74.11 H new ATOM 0 HE3 MET A 3 -4.775 5.795 0.453 1.00 74.11 H new ATOM 52 N ASP A 4 -3.741 3.446 6.209 1.00 41.44 N ATOM 53 CA ASP A 4 -3.193 2.127 6.563 1.00 64.03 C ATOM 54 C ASP A 4 -3.485 1.099 5.462 1.00 31.24 C ATOM 55 O ASP A 4 -4.613 0.626 5.333 1.00 30.23 O ATOM 56 CB ASP A 4 -3.793 1.623 7.883 1.00 2.25 C ATOM 57 CG ASP A 4 -3.483 2.532 9.052 1.00 21.41 C ATOM 58 OD1 ASP A 4 -2.331 2.518 9.530 1.00 25.00 O ATOM 59 OD2 ASP A 4 -4.398 3.260 9.503 1.00 2.42 O ATOM 0 H ASP A 4 -4.702 3.595 6.518 1.00 41.44 H new ATOM 0 HA ASP A 4 -2.115 2.242 6.674 1.00 64.03 H new ATOM 0 HB2 ASP A 4 -4.874 1.533 7.775 1.00 2.25 H new ATOM 0 HB3 ASP A 4 -3.410 0.624 8.093 1.00 2.25 H new ATOM 64 N ILE A 5 -2.471 0.759 4.676 1.00 20.22 N ATOM 65 CA ILE A 5 -2.618 -0.211 3.587 1.00 20.20 C ATOM 66 C ILE A 5 -2.010 -1.569 3.975 1.00 1.12 C ATOM 67 O ILE A 5 -0.793 -1.708 4.069 1.00 51.04 O ATOM 68 CB ILE A 5 -1.921 0.299 2.301 1.00 33.43 C ATOM 69 CG1 ILE A 5 -2.313 1.761 2.023 1.00 43.32 C ATOM 70 CG2 ILE A 5 -2.269 -0.594 1.109 1.00 15.13 C ATOM 71 CD1 ILE A 5 -1.584 2.370 0.846 1.00 62.01 C ATOM 0 H ILE A 5 -1.530 1.141 4.770 1.00 20.22 H new ATOM 0 HA ILE A 5 -3.685 -0.333 3.401 1.00 20.20 H new ATOM 0 HB ILE A 5 -0.842 0.256 2.451 1.00 33.43 H new ATOM 0 HG12 ILE A 5 -3.386 1.812 1.841 1.00 43.32 H new ATOM 0 HG13 ILE A 5 -2.112 2.358 2.913 1.00 43.32 H new ATOM 0 HG21 ILE A 5 -1.770 -0.219 0.216 1.00 15.13 H new ATOM 0 HG22 ILE A 5 -1.938 -1.613 1.309 1.00 15.13 H new ATOM 0 HG23 ILE A 5 -3.348 -0.587 0.952 1.00 15.13 H new ATOM 0 HD11 ILE A 5 -1.911 3.401 0.710 1.00 62.01 H new ATOM 0 HD12 ILE A 5 -0.510 2.351 1.034 1.00 62.01 H new ATOM 0 HD13 ILE A 5 -1.805 1.797 -0.055 1.00 62.01 H new ATOM 83 N ARG A 6 -2.854 -2.570 4.200 1.00 63.12 N ATOM 84 CA ARG A 6 -2.372 -3.899 4.596 1.00 13.52 C ATOM 85 C ARG A 6 -2.527 -4.934 3.470 1.00 64.34 C ATOM 86 O ARG A 6 -3.617 -5.123 2.918 1.00 74.12 O ATOM 87 CB ARG A 6 -3.079 -4.371 5.876 1.00 24.13 C ATOM 88 CG ARG A 6 -4.600 -4.265 5.840 1.00 61.45 C ATOM 89 CD ARG A 6 -5.221 -4.669 7.178 1.00 5.21 C ATOM 90 NE ARG A 6 -4.642 -3.923 8.298 1.00 34.12 N ATOM 91 CZ ARG A 6 -5.319 -3.160 9.117 1.00 42.51 C ATOM 92 NH1 ARG A 6 -6.602 -3.028 8.996 1.00 12.31 N ATOM 93 NH2 ARG A 6 -4.702 -2.536 10.067 1.00 33.22 N ATOM 0 H ARG A 6 -3.868 -2.494 4.117 1.00 63.12 H new ATOM 0 HA ARG A 6 -1.305 -3.809 4.799 1.00 13.52 H new ATOM 0 HB2 ARG A 6 -2.805 -5.409 6.064 1.00 24.13 H new ATOM 0 HB3 ARG A 6 -2.707 -3.786 6.717 1.00 24.13 H new ATOM 0 HG2 ARG A 6 -4.889 -3.242 5.597 1.00 61.45 H new ATOM 0 HG3 ARG A 6 -4.992 -4.903 5.048 1.00 61.45 H new ATOM 0 HD2 ARG A 6 -6.297 -4.497 7.145 1.00 5.21 H new ATOM 0 HD3 ARG A 6 -5.074 -5.737 7.339 1.00 5.21 H new ATOM 0 HE ARG A 6 -3.637 -4.005 8.450 1.00 34.12 H new ATOM 0 HH11 ARG A 6 -7.098 -3.523 8.254 1.00 12.31 H new ATOM 0 HH12 ARG A 6 -7.116 -2.429 9.642 1.00 12.31 H new ATOM 0 HH21 ARG A 6 -3.693 -2.640 10.174 1.00 33.22 H new ATOM 0 HH22 ARG A 6 -5.224 -1.940 10.709 1.00 33.22 H new ATOM 107 N PHE A 7 -1.414 -5.587 3.134 1.00 4.31 N ATOM 108 CA PHE A 7 -1.379 -6.635 2.106 1.00 5.42 C ATOM 109 C PHE A 7 -1.325 -8.036 2.736 1.00 1.15 C ATOM 110 O PHE A 7 -0.526 -8.293 3.638 1.00 24.21 O ATOM 111 CB PHE A 7 -0.151 -6.456 1.200 1.00 33.15 C ATOM 112 CG PHE A 7 -0.197 -5.241 0.305 1.00 33.41 C ATOM 113 CD1 PHE A 7 0.311 -4.019 0.729 1.00 52.13 C ATOM 114 CD2 PHE A 7 -0.737 -5.328 -0.971 1.00 30.31 C ATOM 115 CE1 PHE A 7 0.277 -2.914 -0.102 1.00 11.33 C ATOM 116 CE2 PHE A 7 -0.770 -4.226 -1.804 1.00 4.01 C ATOM 117 CZ PHE A 7 -0.263 -3.019 -1.370 1.00 44.55 C ATOM 0 H PHE A 7 -0.508 -5.406 3.566 1.00 4.31 H new ATOM 0 HA PHE A 7 -2.293 -6.543 1.519 1.00 5.42 H new ATOM 0 HB2 PHE A 7 0.739 -6.395 1.826 1.00 33.15 H new ATOM 0 HB3 PHE A 7 -0.043 -7.344 0.578 1.00 33.15 H new ATOM 0 HD1 PHE A 7 0.737 -3.931 1.718 1.00 52.13 H new ATOM 0 HD2 PHE A 7 -1.137 -6.270 -1.317 1.00 30.31 H new ATOM 0 HE1 PHE A 7 0.672 -1.969 0.240 1.00 11.33 H new ATOM 0 HE2 PHE A 7 -1.193 -4.310 -2.794 1.00 4.01 H new ATOM 0 HZ PHE A 7 -0.288 -2.157 -2.020 1.00 44.55 H new ATOM 127 N ARG A 8 -2.175 -8.939 2.259 1.00 14.33 N ATOM 128 CA ARG A 8 -2.147 -10.338 2.695 1.00 71.21 C ATOM 129 C ARG A 8 -2.459 -11.278 1.521 1.00 43.31 C ATOM 130 O ARG A 8 -3.535 -11.205 0.930 1.00 71.14 O ATOM 131 CB ARG A 8 -3.153 -10.552 3.834 1.00 20.40 C ATOM 132 CG ARG A 8 -3.171 -11.974 4.388 1.00 31.15 C ATOM 133 CD ARG A 8 -4.112 -12.101 5.581 1.00 63.11 C ATOM 134 NE ARG A 8 -5.496 -11.770 5.239 1.00 53.03 N ATOM 135 CZ ARG A 8 -6.312 -11.130 6.034 1.00 3.03 C ATOM 136 NH1 ARG A 8 -5.890 -10.649 7.163 1.00 54.54 N ATOM 137 NH2 ARG A 8 -7.543 -10.937 5.682 1.00 3.11 N ATOM 0 H ARG A 8 -2.896 -8.730 1.568 1.00 14.33 H new ATOM 0 HA ARG A 8 -1.146 -10.570 3.059 1.00 71.21 H new ATOM 0 HB2 ARG A 8 -2.921 -9.860 4.644 1.00 20.40 H new ATOM 0 HB3 ARG A 8 -4.151 -10.300 3.475 1.00 20.40 H new ATOM 0 HG2 ARG A 8 -3.480 -12.666 3.605 1.00 31.15 H new ATOM 0 HG3 ARG A 8 -2.163 -12.261 4.687 1.00 31.15 H new ATOM 0 HD2 ARG A 8 -4.070 -13.120 5.966 1.00 63.11 H new ATOM 0 HD3 ARG A 8 -3.771 -11.443 6.381 1.00 63.11 H new ATOM 0 HE ARG A 8 -5.845 -12.056 4.324 1.00 53.03 H new ATOM 0 HH11 ARG A 8 -4.915 -10.769 7.436 1.00 54.54 H new ATOM 0 HH12 ARG A 8 -6.534 -10.151 7.778 1.00 54.54 H new ATOM 0 HH21 ARG A 8 -7.877 -11.285 4.783 1.00 3.11 H new ATOM 0 HH22 ARG A 8 -8.179 -10.437 6.304 1.00 3.11 H new ATOM 151 N GLY A 9 -1.520 -12.165 1.193 1.00 74.45 N ATOM 152 CA GLY A 9 -1.713 -13.078 0.071 1.00 53.54 C ATOM 153 C GLY A 9 -0.602 -14.116 -0.061 1.00 70.34 C ATOM 154 O GLY A 9 0.498 -13.932 0.464 1.00 2.10 O ATOM 0 H GLY A 9 -0.631 -12.269 1.681 1.00 74.45 H new ATOM 0 HA2 GLY A 9 -2.668 -13.591 0.189 1.00 53.54 H new ATOM 0 HA3 GLY A 9 -1.773 -12.501 -0.852 1.00 53.54 H new ATOM 158 N ASP A 10 -0.889 -15.205 -0.771 1.00 44.23 N ATOM 159 CA ASP A 10 0.070 -16.303 -0.934 1.00 61.23 C ATOM 160 C ASP A 10 1.026 -16.063 -2.116 1.00 13.25 C ATOM 161 O ASP A 10 0.738 -16.446 -3.254 1.00 52.54 O ATOM 162 CB ASP A 10 -0.676 -17.627 -1.112 1.00 52.14 C ATOM 163 CG ASP A 10 -1.577 -17.934 0.069 1.00 45.04 C ATOM 164 OD1 ASP A 10 -2.753 -17.517 0.053 1.00 61.04 O ATOM 165 OD2 ASP A 10 -1.110 -18.589 1.024 1.00 75.44 O ATOM 0 H ASP A 10 -1.780 -15.354 -1.245 1.00 44.23 H new ATOM 0 HA ASP A 10 0.678 -16.349 -0.030 1.00 61.23 H new ATOM 0 HB2 ASP A 10 -1.273 -17.587 -2.023 1.00 52.14 H new ATOM 0 HB3 ASP A 10 0.044 -18.435 -1.238 1.00 52.14 H new ATOM 170 N ASP A 11 2.144 -15.396 -1.838 1.00 33.35 N ATOM 171 CA ASP A 11 3.216 -15.201 -2.823 1.00 15.45 C ATOM 172 C ASP A 11 4.502 -14.728 -2.116 1.00 74.22 C ATOM 173 O ASP A 11 4.463 -14.323 -0.949 1.00 2.03 O ATOM 174 CB ASP A 11 2.785 -14.191 -3.902 1.00 41.00 C ATOM 175 CG ASP A 11 3.675 -14.240 -5.137 1.00 11.23 C ATOM 176 OD1 ASP A 11 3.379 -15.029 -6.059 1.00 15.43 O ATOM 177 OD2 ASP A 11 4.680 -13.500 -5.192 1.00 70.21 O ATOM 0 H ASP A 11 2.336 -14.975 -0.929 1.00 33.35 H new ATOM 0 HA ASP A 11 3.418 -16.153 -3.314 1.00 15.45 H new ATOM 0 HB2 ASP A 11 1.754 -14.393 -4.193 1.00 41.00 H new ATOM 0 HB3 ASP A 11 2.806 -13.185 -3.483 1.00 41.00 H new ATOM 182 N LEU A 12 5.635 -14.787 -2.812 1.00 45.35 N ATOM 183 CA LEU A 12 6.923 -14.378 -2.232 1.00 44.05 C ATOM 184 C LEU A 12 7.403 -13.035 -2.809 1.00 30.34 C ATOM 185 O LEU A 12 7.723 -12.108 -2.062 1.00 2.03 O ATOM 186 CB LEU A 12 7.988 -15.461 -2.472 1.00 54.12 C ATOM 187 CG LEU A 12 9.374 -15.171 -1.861 1.00 65.12 C ATOM 188 CD1 LEU A 12 9.287 -15.048 -0.340 1.00 34.52 C ATOM 189 CD2 LEU A 12 10.375 -16.253 -2.259 1.00 51.21 C ATOM 0 H LEU A 12 5.693 -15.113 -3.777 1.00 45.35 H new ATOM 0 HA LEU A 12 6.774 -14.251 -1.160 1.00 44.05 H new ATOM 0 HB2 LEU A 12 7.621 -16.404 -2.067 1.00 54.12 H new ATOM 0 HB3 LEU A 12 8.105 -15.600 -3.547 1.00 54.12 H new ATOM 0 HG LEU A 12 9.724 -14.218 -2.256 1.00 65.12 H new ATOM 0 HD11 LEU A 12 10.278 -14.844 0.066 1.00 34.52 H new ATOM 0 HD12 LEU A 12 8.613 -14.232 -0.079 1.00 34.52 H new ATOM 0 HD13 LEU A 12 8.909 -15.980 0.079 1.00 34.52 H new ATOM 0 HD21 LEU A 12 11.346 -16.030 -1.818 1.00 51.21 H new ATOM 0 HD22 LEU A 12 10.027 -17.221 -1.899 1.00 51.21 H new ATOM 0 HD23 LEU A 12 10.467 -16.282 -3.345 1.00 51.21 H new ATOM 201 N GLU A 13 7.446 -12.934 -4.136 1.00 42.11 N ATOM 202 CA GLU A 13 7.915 -11.713 -4.812 1.00 3.34 C ATOM 203 C GLU A 13 6.914 -10.555 -4.685 1.00 51.22 C ATOM 204 O GLU A 13 7.297 -9.387 -4.759 1.00 54.13 O ATOM 205 CB GLU A 13 8.225 -11.987 -6.293 1.00 21.33 C ATOM 206 CG GLU A 13 9.482 -12.823 -6.512 1.00 2.05 C ATOM 207 CD GLU A 13 9.893 -12.908 -7.975 1.00 30.44 C ATOM 208 OE1 GLU A 13 10.373 -11.893 -8.519 1.00 30.22 O ATOM 209 OE2 GLU A 13 9.760 -13.993 -8.579 1.00 20.34 O ATOM 0 H GLU A 13 7.163 -13.681 -4.770 1.00 42.11 H new ATOM 0 HA GLU A 13 8.833 -11.410 -4.309 1.00 3.34 H new ATOM 0 HB2 GLU A 13 7.375 -12.500 -6.744 1.00 21.33 H new ATOM 0 HB3 GLU A 13 8.337 -11.036 -6.814 1.00 21.33 H new ATOM 0 HG2 GLU A 13 10.301 -12.395 -5.935 1.00 2.05 H new ATOM 0 HG3 GLU A 13 9.314 -13.829 -6.129 1.00 2.05 H new ATOM 216 N ALA A 14 5.634 -10.883 -4.500 1.00 72.11 N ATOM 217 CA ALA A 14 4.576 -9.867 -4.384 1.00 0.01 C ATOM 218 C ALA A 14 4.894 -8.821 -3.298 1.00 43.21 C ATOM 219 O ALA A 14 4.479 -7.666 -3.403 1.00 12.31 O ATOM 220 CB ALA A 14 3.235 -10.533 -4.102 1.00 14.43 C ATOM 0 H ALA A 14 5.301 -11.844 -4.427 1.00 72.11 H new ATOM 0 HA ALA A 14 4.523 -9.340 -5.337 1.00 0.01 H new ATOM 0 HB1 ALA A 14 2.461 -9.771 -4.018 1.00 14.43 H new ATOM 0 HB2 ALA A 14 2.988 -11.213 -4.917 1.00 14.43 H new ATOM 0 HB3 ALA A 14 3.296 -11.092 -3.168 1.00 14.43 H new ATOM 226 N PHE A 15 5.624 -9.232 -2.258 1.00 64.31 N ATOM 227 CA PHE A 15 6.096 -8.302 -1.220 1.00 31.14 C ATOM 228 C PHE A 15 6.974 -7.193 -1.825 1.00 55.13 C ATOM 229 O PHE A 15 6.654 -6.006 -1.721 1.00 71.42 O ATOM 230 CB PHE A 15 6.877 -9.065 -0.135 1.00 43.21 C ATOM 231 CG PHE A 15 7.599 -8.168 0.843 1.00 12.50 C ATOM 232 CD1 PHE A 15 6.893 -7.424 1.778 1.00 55.13 C ATOM 233 CD2 PHE A 15 8.986 -8.062 0.820 1.00 34.25 C ATOM 234 CE1 PHE A 15 7.551 -6.595 2.667 1.00 53.01 C ATOM 235 CE2 PHE A 15 9.647 -7.231 1.706 1.00 21.42 C ATOM 236 CZ PHE A 15 8.929 -6.498 2.632 1.00 15.23 C ATOM 0 H PHE A 15 5.903 -10.202 -2.109 1.00 64.31 H new ATOM 0 HA PHE A 15 5.223 -7.833 -0.766 1.00 31.14 H new ATOM 0 HB2 PHE A 15 6.186 -9.704 0.415 1.00 43.21 H new ATOM 0 HB3 PHE A 15 7.603 -9.720 -0.616 1.00 43.21 H new ATOM 0 HD1 PHE A 15 5.816 -7.494 1.811 1.00 55.13 H new ATOM 0 HD2 PHE A 15 9.553 -8.635 0.102 1.00 34.25 H new ATOM 0 HE1 PHE A 15 6.988 -6.023 3.389 1.00 53.01 H new ATOM 0 HE2 PHE A 15 10.724 -7.155 1.674 1.00 21.42 H new ATOM 0 HZ PHE A 15 9.444 -5.851 3.327 1.00 15.23 H new ATOM 246 N GLU A 16 8.081 -7.594 -2.453 1.00 13.11 N ATOM 247 CA GLU A 16 8.988 -6.652 -3.118 1.00 42.52 C ATOM 248 C GLU A 16 8.254 -5.835 -4.192 1.00 53.45 C ATOM 249 O GLU A 16 8.421 -4.615 -4.286 1.00 64.32 O ATOM 250 CB GLU A 16 10.170 -7.412 -3.747 1.00 64.44 C ATOM 251 CG GLU A 16 11.122 -6.529 -4.549 1.00 14.42 C ATOM 252 CD GLU A 16 12.315 -7.293 -5.106 1.00 1.30 C ATOM 253 OE1 GLU A 16 12.220 -7.826 -6.233 1.00 33.04 O ATOM 254 OE2 GLU A 16 13.359 -7.352 -4.422 1.00 3.32 O ATOM 0 H GLU A 16 8.373 -8.569 -2.516 1.00 13.11 H new ATOM 0 HA GLU A 16 9.365 -5.958 -2.366 1.00 42.52 H new ATOM 0 HB2 GLU A 16 10.732 -7.908 -2.955 1.00 64.44 H new ATOM 0 HB3 GLU A 16 9.780 -8.193 -4.399 1.00 64.44 H new ATOM 0 HG2 GLU A 16 10.575 -6.069 -5.372 1.00 14.42 H new ATOM 0 HG3 GLU A 16 11.481 -5.720 -3.913 1.00 14.42 H new ATOM 261 N LYS A 17 7.435 -6.518 -4.989 1.00 15.10 N ATOM 262 CA LYS A 17 6.662 -5.872 -6.054 1.00 54.42 C ATOM 263 C LYS A 17 5.745 -4.765 -5.512 1.00 42.13 C ATOM 264 O LYS A 17 5.838 -3.612 -5.930 1.00 13.51 O ATOM 265 CB LYS A 17 5.814 -6.919 -6.785 1.00 21.24 C ATOM 266 CG LYS A 17 6.626 -7.923 -7.595 1.00 62.10 C ATOM 267 CD LYS A 17 7.324 -7.259 -8.777 1.00 5.20 C ATOM 268 CE LYS A 17 8.053 -8.271 -9.649 1.00 23.21 C ATOM 269 NZ LYS A 17 8.676 -7.626 -10.831 1.00 32.12 N ATOM 0 H LYS A 17 7.287 -7.525 -4.919 1.00 15.10 H new ATOM 0 HA LYS A 17 7.372 -5.412 -6.741 1.00 54.42 H new ATOM 0 HB2 LYS A 17 5.214 -7.460 -6.053 1.00 21.24 H new ATOM 0 HB3 LYS A 17 5.120 -6.407 -7.452 1.00 21.24 H new ATOM 0 HG2 LYS A 17 7.369 -8.394 -6.951 1.00 62.10 H new ATOM 0 HG3 LYS A 17 5.970 -8.714 -7.957 1.00 62.10 H new ATOM 0 HD2 LYS A 17 6.589 -6.724 -9.379 1.00 5.20 H new ATOM 0 HD3 LYS A 17 8.034 -6.518 -8.409 1.00 5.20 H new ATOM 0 HE2 LYS A 17 8.821 -8.772 -9.060 1.00 23.21 H new ATOM 0 HE3 LYS A 17 7.353 -9.038 -9.979 1.00 23.21 H new ATOM 0 HZ1 LYS A 17 9.164 -8.345 -11.402 1.00 32.12 H new ATOM 0 HZ2 LYS A 17 7.939 -7.169 -11.405 1.00 32.12 H new ATOM 0 HZ3 LYS A 17 9.362 -6.911 -10.515 1.00 32.12 H new ATOM 283 N ALA A 18 4.882 -5.118 -4.562 1.00 41.42 N ATOM 284 CA ALA A 18 3.907 -4.174 -4.005 1.00 43.52 C ATOM 285 C ALA A 18 4.596 -3.006 -3.291 1.00 31.22 C ATOM 286 O ALA A 18 4.223 -1.843 -3.465 1.00 35.43 O ATOM 287 CB ALA A 18 2.963 -4.896 -3.048 1.00 52.45 C ATOM 0 H ALA A 18 4.836 -6.054 -4.158 1.00 41.42 H new ATOM 0 HA ALA A 18 3.331 -3.762 -4.834 1.00 43.52 H new ATOM 0 HB1 ALA A 18 2.244 -4.185 -2.641 1.00 52.45 H new ATOM 0 HB2 ALA A 18 2.432 -5.682 -3.585 1.00 52.45 H new ATOM 0 HB3 ALA A 18 3.538 -5.337 -2.234 1.00 52.45 H new ATOM 293 N LEU A 19 5.611 -3.328 -2.497 1.00 12.30 N ATOM 294 CA LEU A 19 6.351 -2.320 -1.735 1.00 50.22 C ATOM 295 C LEU A 19 7.049 -1.305 -2.658 1.00 51.23 C ATOM 296 O LEU A 19 6.815 -0.100 -2.556 1.00 33.04 O ATOM 297 CB LEU A 19 7.381 -3.008 -0.824 1.00 63.41 C ATOM 298 CG LEU A 19 8.146 -2.082 0.138 1.00 30.34 C ATOM 299 CD1 LEU A 19 7.188 -1.394 1.113 1.00 52.02 C ATOM 300 CD2 LEU A 19 9.221 -2.862 0.894 1.00 13.22 C ATOM 0 H LEU A 19 5.944 -4.283 -2.362 1.00 12.30 H new ATOM 0 HA LEU A 19 5.636 -1.769 -1.125 1.00 50.22 H new ATOM 0 HB2 LEU A 19 6.867 -3.768 -0.235 1.00 63.41 H new ATOM 0 HB3 LEU A 19 8.105 -3.527 -1.452 1.00 63.41 H new ATOM 0 HG LEU A 19 8.636 -1.309 -0.453 1.00 30.34 H new ATOM 0 HD11 LEU A 19 7.754 -0.745 1.782 1.00 52.02 H new ATOM 0 HD12 LEU A 19 6.466 -0.798 0.554 1.00 52.02 H new ATOM 0 HD13 LEU A 19 6.661 -2.148 1.698 1.00 52.02 H new ATOM 0 HD21 LEU A 19 9.751 -2.190 1.569 1.00 13.22 H new ATOM 0 HD22 LEU A 19 8.754 -3.661 1.470 1.00 13.22 H new ATOM 0 HD23 LEU A 19 9.926 -3.292 0.183 1.00 13.22 H new ATOM 312 N LYS A 20 7.888 -1.797 -3.574 1.00 52.15 N ATOM 313 CA LYS A 20 8.689 -0.920 -4.437 1.00 52.20 C ATOM 314 C LYS A 20 7.810 -0.048 -5.354 1.00 2.21 C ATOM 315 O LYS A 20 8.089 1.140 -5.541 1.00 11.02 O ATOM 316 CB LYS A 20 9.676 -1.746 -5.279 1.00 1.11 C ATOM 317 CG LYS A 20 10.644 -0.895 -6.104 1.00 3.45 C ATOM 318 CD LYS A 20 11.460 0.051 -5.221 1.00 24.10 C ATOM 319 CE LYS A 20 12.375 0.962 -6.036 1.00 5.14 C ATOM 320 NZ LYS A 20 13.412 0.200 -6.781 1.00 25.10 N ATOM 0 H LYS A 20 8.031 -2.794 -3.738 1.00 52.15 H new ATOM 0 HA LYS A 20 9.248 -0.250 -3.783 1.00 52.20 H new ATOM 0 HB2 LYS A 20 10.250 -2.395 -4.617 1.00 1.11 H new ATOM 0 HB3 LYS A 20 9.113 -2.394 -5.951 1.00 1.11 H new ATOM 0 HG2 LYS A 20 11.318 -1.547 -6.660 1.00 3.45 H new ATOM 0 HG3 LYS A 20 10.084 -0.315 -6.838 1.00 3.45 H new ATOM 0 HD2 LYS A 20 10.783 0.661 -4.624 1.00 24.10 H new ATOM 0 HD3 LYS A 20 12.061 -0.534 -4.524 1.00 24.10 H new ATOM 0 HE2 LYS A 20 11.776 1.539 -6.740 1.00 5.14 H new ATOM 0 HE3 LYS A 20 12.860 1.676 -5.370 1.00 5.14 H new ATOM 0 HZ1 LYS A 20 14.050 0.864 -7.265 1.00 25.10 H new ATOM 0 HZ2 LYS A 20 13.959 -0.384 -6.116 1.00 25.10 H new ATOM 0 HZ3 LYS A 20 12.953 -0.414 -7.484 1.00 25.10 H new ATOM 334 N GLU A 21 6.748 -0.633 -5.914 1.00 11.20 N ATOM 335 CA GLU A 21 5.834 0.109 -6.796 1.00 52.10 C ATOM 336 C GLU A 21 5.284 1.368 -6.107 1.00 0.41 C ATOM 337 O GLU A 21 5.303 2.456 -6.682 1.00 11.23 O ATOM 338 CB GLU A 21 4.670 -0.785 -7.256 1.00 63.22 C ATOM 339 CG GLU A 21 5.072 -1.878 -8.244 1.00 71.33 C ATOM 340 CD GLU A 21 5.588 -1.323 -9.564 1.00 64.23 C ATOM 341 OE1 GLU A 21 4.761 -0.945 -10.421 1.00 20.44 O ATOM 342 OE2 GLU A 21 6.819 -1.253 -9.757 1.00 51.51 O ATOM 0 H GLU A 21 6.498 -1.612 -5.776 1.00 11.20 H new ATOM 0 HA GLU A 21 6.409 0.420 -7.669 1.00 52.10 H new ATOM 0 HB2 GLU A 21 4.217 -1.251 -6.381 1.00 63.22 H new ATOM 0 HB3 GLU A 21 3.905 -0.159 -7.716 1.00 63.22 H new ATOM 0 HG2 GLU A 21 5.842 -2.503 -7.793 1.00 71.33 H new ATOM 0 HG3 GLU A 21 4.213 -2.520 -8.437 1.00 71.33 H new ATOM 349 N MET A 22 4.812 1.223 -4.872 1.00 74.40 N ATOM 350 CA MET A 22 4.257 2.359 -4.128 1.00 14.13 C ATOM 351 C MET A 22 5.362 3.326 -3.665 1.00 31.15 C ATOM 352 O MET A 22 5.169 4.545 -3.657 1.00 14.11 O ATOM 353 CB MET A 22 3.440 1.867 -2.930 1.00 32.23 C ATOM 354 CG MET A 22 2.367 0.850 -3.304 1.00 42.20 C ATOM 355 SD MET A 22 1.128 0.640 -2.013 1.00 63.20 S ATOM 356 CE MET A 22 0.326 2.242 -2.064 1.00 0.10 C ATOM 0 H MET A 22 4.801 0.338 -4.365 1.00 74.40 H new ATOM 0 HA MET A 22 3.598 2.906 -4.802 1.00 14.13 H new ATOM 0 HB2 MET A 22 4.114 1.420 -2.199 1.00 32.23 H new ATOM 0 HB3 MET A 22 2.967 2.722 -2.447 1.00 32.23 H new ATOM 0 HG2 MET A 22 1.877 1.167 -4.224 1.00 42.20 H new ATOM 0 HG3 MET A 22 2.839 -0.111 -3.509 1.00 42.20 H new ATOM 0 HE1 MET A 22 0.573 2.801 -1.161 1.00 0.10 H new ATOM 0 HE2 MET A 22 0.671 2.794 -2.938 1.00 0.10 H new ATOM 0 HE3 MET A 22 -0.754 2.107 -2.123 1.00 0.10 H new ATOM 366 N ILE A 23 6.522 2.778 -3.290 1.00 22.04 N ATOM 367 CA ILE A 23 7.683 3.599 -2.911 1.00 41.52 C ATOM 368 C ILE A 23 8.084 4.556 -4.046 1.00 63.34 C ATOM 369 O ILE A 23 8.514 5.682 -3.797 1.00 60.44 O ATOM 370 CB ILE A 23 8.902 2.716 -2.519 1.00 71.52 C ATOM 371 CG1 ILE A 23 8.620 1.959 -1.210 1.00 64.00 C ATOM 372 CG2 ILE A 23 10.174 3.559 -2.388 1.00 75.50 C ATOM 373 CD1 ILE A 23 9.755 1.054 -0.770 1.00 52.21 C ATOM 0 H ILE A 23 6.685 1.772 -3.240 1.00 22.04 H new ATOM 0 HA ILE A 23 7.385 4.187 -2.043 1.00 41.52 H new ATOM 0 HB ILE A 23 9.061 1.988 -3.315 1.00 71.52 H new ATOM 0 HG12 ILE A 23 8.417 2.682 -0.420 1.00 64.00 H new ATOM 0 HG13 ILE A 23 7.718 1.360 -1.334 1.00 64.00 H new ATOM 0 HG21 ILE A 23 11.010 2.916 -2.113 1.00 75.50 H new ATOM 0 HG22 ILE A 23 10.388 4.045 -3.340 1.00 75.50 H new ATOM 0 HG23 ILE A 23 10.031 4.317 -1.618 1.00 75.50 H new ATOM 0 HD11 ILE A 23 9.483 0.555 0.160 1.00 52.21 H new ATOM 0 HD12 ILE A 23 9.945 0.307 -1.541 1.00 52.21 H new ATOM 0 HD13 ILE A 23 10.654 1.649 -0.612 1.00 52.21 H new ATOM 385 N ARG A 24 7.920 4.100 -5.290 1.00 61.12 N ATOM 386 CA ARG A 24 8.197 4.922 -6.476 1.00 31.12 C ATOM 387 C ARG A 24 7.533 6.309 -6.372 1.00 71.21 C ATOM 388 O ARG A 24 8.171 7.335 -6.629 1.00 2.00 O ATOM 389 CB ARG A 24 7.718 4.181 -7.735 1.00 55.13 C ATOM 390 CG ARG A 24 7.850 4.977 -9.030 1.00 61.03 C ATOM 391 CD ARG A 24 7.478 4.134 -10.247 1.00 13.24 C ATOM 392 NE ARG A 24 6.149 3.534 -10.113 1.00 64.45 N ATOM 393 CZ ARG A 24 5.900 2.260 -10.262 1.00 43.40 C ATOM 394 NH1 ARG A 24 6.856 1.430 -10.545 1.00 3.33 N ATOM 395 NH2 ARG A 24 4.695 1.811 -10.116 1.00 55.44 N ATOM 0 H ARG A 24 7.594 3.158 -5.506 1.00 61.12 H new ATOM 0 HA ARG A 24 9.273 5.086 -6.540 1.00 31.12 H new ATOM 0 HB2 ARG A 24 8.285 3.255 -7.834 1.00 55.13 H new ATOM 0 HB3 ARG A 24 6.673 3.902 -7.601 1.00 55.13 H new ATOM 0 HG2 ARG A 24 7.207 5.856 -8.985 1.00 61.03 H new ATOM 0 HG3 ARG A 24 8.874 5.336 -9.134 1.00 61.03 H new ATOM 0 HD2 ARG A 24 7.506 4.756 -11.141 1.00 13.24 H new ATOM 0 HD3 ARG A 24 8.219 3.347 -10.383 1.00 13.24 H new ATOM 0 HE ARG A 24 5.368 4.150 -9.889 1.00 64.45 H new ATOM 0 HH11 ARG A 24 7.811 1.770 -10.653 1.00 3.33 H new ATOM 0 HH12 ARG A 24 6.652 0.437 -10.659 1.00 3.33 H new ATOM 0 HH21 ARG A 24 3.936 2.452 -9.884 1.00 55.44 H new ATOM 0 HH22 ARG A 24 4.504 0.816 -10.233 1.00 55.44 H new ATOM 409 N GLN A 25 6.257 6.340 -5.984 1.00 73.02 N ATOM 410 CA GLN A 25 5.556 7.608 -5.745 1.00 54.13 C ATOM 411 C GLN A 25 6.009 8.257 -4.425 1.00 2.30 C ATOM 412 O GLN A 25 6.249 9.463 -4.369 1.00 20.33 O ATOM 413 CB GLN A 25 4.035 7.393 -5.716 1.00 53.33 C ATOM 414 CG GLN A 25 3.429 6.968 -7.052 1.00 54.34 C ATOM 415 CD GLN A 25 3.595 8.015 -8.145 1.00 22.22 C ATOM 416 OE1 GLN A 25 2.755 8.896 -8.316 1.00 43.12 O ATOM 417 NE2 GLN A 25 4.673 7.924 -8.898 1.00 40.40 N ATOM 0 H GLN A 25 5.688 5.508 -5.829 1.00 73.02 H new ATOM 0 HA GLN A 25 5.807 8.278 -6.567 1.00 54.13 H new ATOM 0 HB2 GLN A 25 3.802 6.635 -4.968 1.00 53.33 H new ATOM 0 HB3 GLN A 25 3.556 8.317 -5.392 1.00 53.33 H new ATOM 0 HG2 GLN A 25 3.895 6.037 -7.375 1.00 54.34 H new ATOM 0 HG3 GLN A 25 2.368 6.762 -6.913 1.00 54.34 H new ATOM 0 HE21 GLN A 25 5.351 7.181 -8.730 1.00 40.40 H new ATOM 0 HE22 GLN A 25 4.829 8.597 -9.649 1.00 40.40 H new ATOM 426 N ALA A 26 6.134 7.445 -3.374 1.00 71.32 N ATOM 427 CA ALA A 26 6.502 7.935 -2.035 1.00 71.23 C ATOM 428 C ALA A 26 7.817 8.738 -2.038 1.00 14.32 C ATOM 429 O ALA A 26 7.965 9.700 -1.287 1.00 71.51 O ATOM 430 CB ALA A 26 6.599 6.765 -1.060 1.00 15.34 C ATOM 0 H ALA A 26 5.986 6.437 -3.421 1.00 71.32 H new ATOM 0 HA ALA A 26 5.715 8.617 -1.714 1.00 71.23 H new ATOM 0 HB1 ALA A 26 6.872 7.136 -0.072 1.00 15.34 H new ATOM 0 HB2 ALA A 26 5.636 6.257 -1.004 1.00 15.34 H new ATOM 0 HB3 ALA A 26 7.359 6.064 -1.407 1.00 15.34 H new ATOM 436 N ARG A 27 8.761 8.344 -2.892 1.00 34.02 N ATOM 437 CA ARG A 27 10.043 9.054 -3.019 1.00 22.44 C ATOM 438 C ARG A 27 9.841 10.520 -3.456 1.00 71.01 C ATOM 439 O ARG A 27 10.654 11.389 -3.140 1.00 42.10 O ATOM 440 CB ARG A 27 10.960 8.334 -4.021 1.00 63.23 C ATOM 441 CG ARG A 27 11.366 6.917 -3.610 1.00 71.51 C ATOM 442 CD ARG A 27 12.445 6.892 -2.526 1.00 24.03 C ATOM 443 NE ARG A 27 11.976 7.393 -1.229 1.00 34.43 N ATOM 444 CZ ARG A 27 11.808 6.646 -0.168 1.00 51.21 C ATOM 445 NH1 ARG A 27 12.014 5.367 -0.214 1.00 72.30 N ATOM 446 NH2 ARG A 27 11.448 7.190 0.948 1.00 65.04 N ATOM 0 H ARG A 27 8.666 7.537 -3.509 1.00 34.02 H new ATOM 0 HA ARG A 27 10.513 9.055 -2.036 1.00 22.44 H new ATOM 0 HB2 ARG A 27 10.456 8.288 -4.986 1.00 63.23 H new ATOM 0 HB3 ARG A 27 11.862 8.930 -4.161 1.00 63.23 H new ATOM 0 HG2 ARG A 27 10.486 6.383 -3.251 1.00 71.51 H new ATOM 0 HG3 ARG A 27 11.728 6.381 -4.487 1.00 71.51 H new ATOM 0 HD2 ARG A 27 12.805 5.870 -2.405 1.00 24.03 H new ATOM 0 HD3 ARG A 27 13.294 7.492 -2.854 1.00 24.03 H new ATOM 0 HE ARG A 27 11.767 8.388 -1.149 1.00 34.43 H new ATOM 0 HH11 ARG A 27 12.311 4.929 -1.086 1.00 72.30 H new ATOM 0 HH12 ARG A 27 11.879 4.798 0.622 1.00 72.30 H new ATOM 0 HH21 ARG A 27 11.296 8.197 0.999 1.00 65.04 H new ATOM 0 HH22 ARG A 27 11.316 6.612 1.778 1.00 65.04 H new ATOM 460 N LYS A 28 8.763 10.782 -4.201 1.00 41.10 N ATOM 461 CA LYS A 28 8.432 12.142 -4.660 1.00 31.22 C ATOM 462 C LYS A 28 7.870 13.011 -3.515 1.00 5.23 C ATOM 463 O LYS A 28 7.762 14.231 -3.647 1.00 44.32 O ATOM 464 CB LYS A 28 7.413 12.093 -5.820 1.00 20.42 C ATOM 465 CG LYS A 28 8.004 11.903 -7.227 1.00 35.22 C ATOM 466 CD LYS A 28 8.654 10.529 -7.450 1.00 62.00 C ATOM 467 CE LYS A 28 10.129 10.509 -7.057 1.00 21.43 C ATOM 468 NZ LYS A 28 10.790 9.227 -7.424 1.00 23.13 N ATOM 0 H LYS A 28 8.099 10.069 -4.502 1.00 41.10 H new ATOM 0 HA LYS A 28 9.359 12.596 -5.011 1.00 31.22 H new ATOM 0 HB2 LYS A 28 6.713 11.280 -5.628 1.00 20.42 H new ATOM 0 HB3 LYS A 28 6.837 13.018 -5.811 1.00 20.42 H new ATOM 0 HG2 LYS A 28 7.214 12.044 -7.964 1.00 35.22 H new ATOM 0 HG3 LYS A 28 8.748 12.679 -7.405 1.00 35.22 H new ATOM 0 HD2 LYS A 28 8.117 9.778 -6.870 1.00 62.00 H new ATOM 0 HD3 LYS A 28 8.557 10.251 -8.499 1.00 62.00 H new ATOM 0 HE2 LYS A 28 10.645 11.335 -7.546 1.00 21.43 H new ATOM 0 HE3 LYS A 28 10.219 10.668 -5.982 1.00 21.43 H new ATOM 0 HZ1 LYS A 28 11.639 9.094 -6.838 1.00 23.13 H new ATOM 0 HZ2 LYS A 28 10.131 8.438 -7.263 1.00 23.13 H new ATOM 0 HZ3 LYS A 28 11.062 9.252 -8.427 1.00 23.13 H new ATOM 482 N PHE A 29 7.510 12.381 -2.398 1.00 53.53 N ATOM 483 CA PHE A 29 6.912 13.096 -1.261 1.00 5.51 C ATOM 484 C PHE A 29 7.849 13.129 -0.043 1.00 61.33 C ATOM 485 O PHE A 29 8.672 12.235 0.153 1.00 11.24 O ATOM 486 CB PHE A 29 5.582 12.442 -0.865 1.00 23.42 C ATOM 487 CG PHE A 29 4.587 12.366 -1.997 1.00 51.15 C ATOM 488 CD1 PHE A 29 4.024 13.521 -2.522 1.00 44.32 C ATOM 489 CD2 PHE A 29 4.220 11.141 -2.538 1.00 73.03 C ATOM 490 CE1 PHE A 29 3.117 13.455 -3.563 1.00 71.23 C ATOM 491 CE2 PHE A 29 3.313 11.071 -3.577 1.00 1.25 C ATOM 492 CZ PHE A 29 2.763 12.229 -4.089 1.00 43.22 C ATOM 0 H PHE A 29 7.620 11.378 -2.252 1.00 53.53 H new ATOM 0 HA PHE A 29 6.740 14.124 -1.581 1.00 5.51 H new ATOM 0 HB2 PHE A 29 5.777 11.435 -0.495 1.00 23.42 H new ATOM 0 HB3 PHE A 29 5.141 13.004 -0.042 1.00 23.42 H new ATOM 0 HD1 PHE A 29 4.298 14.482 -2.112 1.00 44.32 H new ATOM 0 HD2 PHE A 29 4.649 10.232 -2.142 1.00 73.03 H new ATOM 0 HE1 PHE A 29 2.686 14.361 -3.964 1.00 71.23 H new ATOM 0 HE2 PHE A 29 3.034 10.112 -3.988 1.00 1.25 H new ATOM 0 HZ PHE A 29 2.055 12.176 -4.902 1.00 43.22 H new ATOM 502 N ALA A 30 7.718 14.169 0.778 1.00 31.10 N ATOM 503 CA ALA A 30 8.493 14.287 2.020 1.00 2.04 C ATOM 504 C ALA A 30 7.661 13.848 3.241 1.00 32.21 C ATOM 505 O ALA A 30 7.480 14.610 4.194 1.00 63.02 O ATOM 506 CB ALA A 30 8.986 15.721 2.194 1.00 50.32 C ATOM 0 H ALA A 30 7.081 14.947 0.608 1.00 31.10 H new ATOM 0 HA ALA A 30 9.354 13.623 1.950 1.00 2.04 H new ATOM 0 HB1 ALA A 30 9.560 15.799 3.118 1.00 50.32 H new ATOM 0 HB2 ALA A 30 9.619 15.993 1.349 1.00 50.32 H new ATOM 0 HB3 ALA A 30 8.132 16.396 2.239 1.00 50.32 H new ATOM 512 N GLY A 31 7.163 12.610 3.208 1.00 42.44 N ATOM 513 CA GLY A 31 6.310 12.102 4.287 1.00 40.54 C ATOM 514 C GLY A 31 6.837 10.819 4.927 1.00 44.23 C ATOM 515 O GLY A 31 7.981 10.423 4.696 1.00 52.51 O ATOM 0 H GLY A 31 7.333 11.945 2.453 1.00 42.44 H new ATOM 0 HA2 GLY A 31 6.214 12.869 5.055 1.00 40.54 H new ATOM 0 HA3 GLY A 31 5.310 11.918 3.893 1.00 40.54 H new ATOM 519 N THR A 32 6.004 10.172 5.739 1.00 14.31 N ATOM 520 CA THR A 32 6.388 8.929 6.432 1.00 73.44 C ATOM 521 C THR A 32 5.760 7.693 5.773 1.00 4.32 C ATOM 522 O THR A 32 4.549 7.639 5.568 1.00 52.45 O ATOM 523 CB THR A 32 5.961 8.951 7.924 1.00 11.40 C ATOM 524 OG1 THR A 32 6.592 10.044 8.608 1.00 45.11 O ATOM 525 CG2 THR A 32 6.321 7.645 8.633 1.00 54.12 C ATOM 0 H THR A 32 5.054 10.484 5.938 1.00 14.31 H new ATOM 0 HA THR A 32 7.474 8.869 6.361 1.00 73.44 H new ATOM 0 HB THR A 32 4.878 9.073 7.948 1.00 11.40 H new ATOM 0 HG1 THR A 32 6.313 10.047 9.547 1.00 45.11 H new ATOM 0 HG21 THR A 32 6.007 7.698 9.675 1.00 54.12 H new ATOM 0 HG22 THR A 32 5.814 6.813 8.143 1.00 54.12 H new ATOM 0 HG23 THR A 32 7.399 7.491 8.587 1.00 54.12 H new ATOM 533 N VAL A 33 6.589 6.701 5.449 1.00 44.45 N ATOM 534 CA VAL A 33 6.108 5.423 4.905 1.00 31.14 C ATOM 535 C VAL A 33 6.752 4.241 5.645 1.00 43.24 C ATOM 536 O VAL A 33 7.955 4.000 5.522 1.00 14.11 O ATOM 537 CB VAL A 33 6.404 5.295 3.386 1.00 71.31 C ATOM 538 CG1 VAL A 33 5.878 3.967 2.835 1.00 74.41 C ATOM 539 CG2 VAL A 33 5.814 6.476 2.611 1.00 4.45 C ATOM 0 H VAL A 33 7.602 6.755 5.553 1.00 44.45 H new ATOM 0 HA VAL A 33 5.028 5.403 5.051 1.00 31.14 H new ATOM 0 HB VAL A 33 7.486 5.311 3.254 1.00 71.31 H new ATOM 0 HG11 VAL A 33 6.098 3.902 1.769 1.00 74.41 H new ATOM 0 HG12 VAL A 33 6.361 3.140 3.356 1.00 74.41 H new ATOM 0 HG13 VAL A 33 4.800 3.912 2.987 1.00 74.41 H new ATOM 0 HG21 VAL A 33 6.035 6.362 1.550 1.00 4.45 H new ATOM 0 HG22 VAL A 33 4.734 6.503 2.755 1.00 4.45 H new ATOM 0 HG23 VAL A 33 6.252 7.405 2.975 1.00 4.45 H new ATOM 549 N THR A 34 5.956 3.512 6.421 1.00 5.44 N ATOM 550 CA THR A 34 6.465 2.368 7.194 1.00 61.12 C ATOM 551 C THR A 34 5.738 1.068 6.831 1.00 50.32 C ATOM 552 O THR A 34 4.653 1.091 6.247 1.00 43.13 O ATOM 553 CB THR A 34 6.348 2.601 8.722 1.00 1.21 C ATOM 554 OG1 THR A 34 6.849 1.451 9.427 1.00 12.14 O ATOM 555 CG2 THR A 34 4.901 2.862 9.134 1.00 4.04 C ATOM 0 H THR A 34 4.958 3.687 6.536 1.00 5.44 H new ATOM 0 HA THR A 34 7.519 2.274 6.931 1.00 61.12 H new ATOM 0 HB THR A 34 6.940 3.480 8.977 1.00 1.21 H new ATOM 0 HG1 THR A 34 6.775 1.602 10.393 1.00 12.14 H new ATOM 0 HG21 THR A 34 4.853 3.021 10.211 1.00 4.04 H new ATOM 0 HG22 THR A 34 4.530 3.748 8.619 1.00 4.04 H new ATOM 0 HG23 THR A 34 4.286 2.003 8.866 1.00 4.04 H new ATOM 563 N TYR A 35 6.343 -0.065 7.188 1.00 60.22 N ATOM 564 CA TYR A 35 5.787 -1.386 6.870 1.00 14.22 C ATOM 565 C TYR A 35 6.311 -2.457 7.845 1.00 71.41 C ATOM 566 O TYR A 35 7.490 -2.457 8.199 1.00 45.04 O ATOM 567 CB TYR A 35 6.131 -1.778 5.422 1.00 12.15 C ATOM 568 CG TYR A 35 7.622 -1.894 5.147 1.00 62.04 C ATOM 569 CD1 TYR A 35 8.405 -0.759 4.958 1.00 13.40 C ATOM 570 CD2 TYR A 35 8.249 -3.137 5.085 1.00 44.34 C ATOM 571 CE1 TYR A 35 9.762 -0.858 4.718 1.00 52.54 C ATOM 572 CE2 TYR A 35 9.606 -3.240 4.848 1.00 12.34 C ATOM 573 CZ TYR A 35 10.356 -2.099 4.661 1.00 11.13 C ATOM 574 OH TYR A 35 11.707 -2.198 4.432 1.00 73.41 O ATOM 0 H TYR A 35 7.224 -0.097 7.701 1.00 60.22 H new ATOM 0 HA TYR A 35 4.704 -1.328 6.975 1.00 14.22 H new ATOM 0 HB2 TYR A 35 5.655 -2.731 5.192 1.00 12.15 H new ATOM 0 HB3 TYR A 35 5.704 -1.037 4.745 1.00 12.15 H new ATOM 0 HD1 TYR A 35 7.944 0.217 5.000 1.00 13.40 H new ATOM 0 HD2 TYR A 35 7.664 -4.034 5.225 1.00 44.34 H new ATOM 0 HE1 TYR A 35 10.354 0.034 4.576 1.00 52.54 H new ATOM 0 HE2 TYR A 35 10.077 -4.211 4.809 1.00 12.34 H new ATOM 0 HH TYR A 35 11.969 -3.142 4.423 1.00 73.41 H new ATOM 584 N THR A 36 5.438 -3.371 8.272 1.00 54.34 N ATOM 585 CA THR A 36 5.839 -4.442 9.204 1.00 72.12 C ATOM 586 C THR A 36 5.256 -5.811 8.816 1.00 73.14 C ATOM 587 O THR A 36 4.072 -5.930 8.490 1.00 0.11 O ATOM 588 CB THR A 36 5.430 -4.115 10.666 1.00 62.34 C ATOM 589 OG1 THR A 36 5.773 -5.204 11.541 1.00 30.11 O ATOM 590 CG2 THR A 36 3.935 -3.818 10.776 1.00 4.33 C ATOM 0 H THR A 36 4.457 -3.397 7.994 1.00 54.34 H new ATOM 0 HA THR A 36 6.925 -4.497 9.136 1.00 72.12 H new ATOM 0 HB THR A 36 5.980 -3.223 10.967 1.00 62.34 H new ATOM 0 HG1 THR A 36 5.510 -4.982 12.459 1.00 30.11 H new ATOM 0 HG21 THR A 36 3.684 -3.593 11.813 1.00 4.33 H new ATOM 0 HG22 THR A 36 3.687 -2.962 10.149 1.00 4.33 H new ATOM 0 HG23 THR A 36 3.366 -4.687 10.445 1.00 4.33 H new ATOM 598 N LEU A 37 6.108 -6.839 8.837 1.00 70.23 N ATOM 599 CA LEU A 37 5.687 -8.222 8.569 1.00 0.12 C ATOM 600 C LEU A 37 5.365 -8.961 9.874 1.00 3.30 C ATOM 601 O LEU A 37 6.273 -9.391 10.592 1.00 63.10 O ATOM 602 CB LEU A 37 6.785 -8.992 7.806 1.00 14.44 C ATOM 603 CG LEU A 37 6.990 -8.602 6.331 1.00 70.24 C ATOM 604 CD1 LEU A 37 5.698 -8.791 5.540 1.00 2.14 C ATOM 605 CD2 LEU A 37 7.507 -7.169 6.205 1.00 64.53 C ATOM 0 H LEU A 37 7.103 -6.741 9.038 1.00 70.23 H new ATOM 0 HA LEU A 37 4.788 -8.176 7.955 1.00 0.12 H new ATOM 0 HB2 LEU A 37 7.730 -8.852 8.332 1.00 14.44 H new ATOM 0 HB3 LEU A 37 6.551 -10.056 7.850 1.00 14.44 H new ATOM 0 HG LEU A 37 7.747 -9.263 5.909 1.00 70.24 H new ATOM 0 HD11 LEU A 37 5.864 -8.510 4.500 1.00 2.14 H new ATOM 0 HD12 LEU A 37 5.391 -9.836 5.589 1.00 2.14 H new ATOM 0 HD13 LEU A 37 4.916 -8.162 5.965 1.00 2.14 H new ATOM 0 HD21 LEU A 37 7.642 -6.922 5.152 1.00 64.53 H new ATOM 0 HD22 LEU A 37 6.787 -6.482 6.649 1.00 64.53 H new ATOM 0 HD23 LEU A 37 8.461 -7.080 6.724 1.00 64.53 H new ATOM 617 N ASP A 38 4.081 -9.110 10.186 1.00 13.04 N ATOM 618 CA ASP A 38 3.667 -9.814 11.406 1.00 5.04 C ATOM 619 C ASP A 38 2.830 -11.060 11.067 1.00 14.20 C ATOM 620 O ASP A 38 1.669 -10.956 10.657 1.00 61.23 O ATOM 621 CB ASP A 38 2.886 -8.864 12.322 1.00 73.33 C ATOM 622 CG ASP A 38 2.899 -9.319 13.773 1.00 13.32 C ATOM 623 OD1 ASP A 38 2.066 -10.169 14.148 1.00 63.15 O ATOM 624 OD2 ASP A 38 3.752 -8.825 14.548 1.00 15.41 O ATOM 0 H ASP A 38 3.310 -8.757 9.619 1.00 13.04 H new ATOM 0 HA ASP A 38 4.561 -10.149 11.932 1.00 5.04 H new ATOM 0 HB2 ASP A 38 3.314 -7.864 12.254 1.00 73.33 H new ATOM 0 HB3 ASP A 38 1.855 -8.794 11.975 1.00 73.33 H new ATOM 629 N GLY A 39 3.436 -12.235 11.218 1.00 31.54 N ATOM 630 CA GLY A 39 2.742 -13.486 10.931 1.00 52.31 C ATOM 631 C GLY A 39 2.518 -13.709 9.439 1.00 55.00 C ATOM 632 O GLY A 39 3.316 -14.369 8.775 1.00 1.32 O ATOM 0 H GLY A 39 4.399 -12.346 11.535 1.00 31.54 H new ATOM 0 HA2 GLY A 39 3.319 -14.317 11.335 1.00 52.31 H new ATOM 0 HA3 GLY A 39 1.779 -13.488 11.442 1.00 52.31 H new ATOM 636 N ASN A 40 1.431 -13.147 8.909 1.00 23.44 N ATOM 637 CA ASN A 40 1.113 -13.261 7.476 1.00 74.40 C ATOM 638 C ASN A 40 0.423 -11.990 6.947 1.00 32.52 C ATOM 639 O ASN A 40 -0.162 -11.995 5.860 1.00 61.34 O ATOM 640 CB ASN A 40 0.231 -14.493 7.227 1.00 0.42 C ATOM 641 CG ASN A 40 -1.079 -14.444 7.994 1.00 62.42 C ATOM 642 OD1 ASN A 40 -1.176 -14.925 9.117 1.00 41.52 O ATOM 643 ND2 ASN A 40 -2.097 -13.861 7.395 1.00 13.03 N ATOM 0 H ASN A 40 0.753 -12.607 9.447 1.00 23.44 H new ATOM 0 HA ASN A 40 2.051 -13.378 6.932 1.00 74.40 H new ATOM 0 HB2 ASN A 40 0.020 -14.573 6.161 1.00 0.42 H new ATOM 0 HB3 ASN A 40 0.780 -15.391 7.512 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -2.999 -13.800 7.867 1.00 13.03 H new ATOM 0 HD22 ASN A 40 -1.983 -13.471 6.460 1.00 13.03 H new ATOM 650 N ASP A 41 0.503 -10.906 7.718 1.00 21.42 N ATOM 651 CA ASP A 41 -0.097 -9.623 7.334 1.00 43.02 C ATOM 652 C ASP A 41 0.983 -8.538 7.178 1.00 61.45 C ATOM 653 O ASP A 41 1.835 -8.364 8.056 1.00 71.20 O ATOM 654 CB ASP A 41 -1.125 -9.183 8.385 1.00 52.33 C ATOM 655 CG ASP A 41 -2.172 -10.248 8.664 1.00 3.13 C ATOM 656 OD1 ASP A 41 -1.884 -11.174 9.450 1.00 53.13 O ATOM 657 OD2 ASP A 41 -3.292 -10.156 8.115 1.00 45.33 O ATOM 0 H ASP A 41 0.981 -10.889 8.619 1.00 21.42 H new ATOM 0 HA ASP A 41 -0.597 -9.756 6.375 1.00 43.02 H new ATOM 0 HB2 ASP A 41 -0.608 -8.936 9.312 1.00 52.33 H new ATOM 0 HB3 ASP A 41 -1.620 -8.273 8.045 1.00 52.33 H new ATOM 662 N LEU A 42 0.949 -7.825 6.054 1.00 73.03 N ATOM 663 CA LEU A 42 1.889 -6.726 5.788 1.00 33.20 C ATOM 664 C LEU A 42 1.222 -5.358 6.001 1.00 45.13 C ATOM 665 O LEU A 42 0.459 -4.892 5.155 1.00 13.15 O ATOM 666 CB LEU A 42 2.428 -6.829 4.349 1.00 54.21 C ATOM 667 CG LEU A 42 3.288 -5.642 3.868 1.00 72.12 C ATOM 668 CD1 LEU A 42 4.519 -5.457 4.753 1.00 42.03 C ATOM 669 CD2 LEU A 42 3.690 -5.833 2.406 1.00 72.13 C ATOM 0 H LEU A 42 0.277 -7.987 5.304 1.00 73.03 H new ATOM 0 HA LEU A 42 2.717 -6.813 6.492 1.00 33.20 H new ATOM 0 HB2 LEU A 42 3.021 -7.740 4.268 1.00 54.21 H new ATOM 0 HB3 LEU A 42 1.582 -6.938 3.671 1.00 54.21 H new ATOM 0 HG LEU A 42 2.688 -4.735 3.945 1.00 72.12 H new ATOM 0 HD11 LEU A 42 5.105 -4.613 4.389 1.00 42.03 H new ATOM 0 HD12 LEU A 42 4.204 -5.265 5.779 1.00 42.03 H new ATOM 0 HD13 LEU A 42 5.127 -6.361 4.724 1.00 42.03 H new ATOM 0 HD21 LEU A 42 4.296 -4.987 2.082 1.00 72.13 H new ATOM 0 HD22 LEU A 42 4.266 -6.753 2.304 1.00 72.13 H new ATOM 0 HD23 LEU A 42 2.795 -5.896 1.788 1.00 72.13 H new ATOM 681 N GLU A 43 1.516 -4.724 7.132 1.00 4.20 N ATOM 682 CA GLU A 43 0.949 -3.408 7.459 1.00 31.21 C ATOM 683 C GLU A 43 1.819 -2.271 6.892 1.00 32.11 C ATOM 684 O GLU A 43 2.907 -2.006 7.404 1.00 42.40 O ATOM 685 CB GLU A 43 0.839 -3.246 8.984 1.00 44.11 C ATOM 686 CG GLU A 43 0.082 -4.367 9.694 1.00 1.22 C ATOM 687 CD GLU A 43 -1.405 -4.385 9.380 1.00 13.11 C ATOM 688 OE1 GLU A 43 -2.126 -3.470 9.833 1.00 13.04 O ATOM 689 OE2 GLU A 43 -1.869 -5.321 8.699 1.00 50.03 O ATOM 0 H GLU A 43 2.145 -5.097 7.843 1.00 4.20 H new ATOM 0 HA GLU A 43 -0.041 -3.350 7.007 1.00 31.21 H new ATOM 0 HB2 GLU A 43 1.844 -3.184 9.402 1.00 44.11 H new ATOM 0 HB3 GLU A 43 0.344 -2.299 9.200 1.00 44.11 H new ATOM 0 HG2 GLU A 43 0.517 -5.325 9.411 1.00 1.22 H new ATOM 0 HG3 GLU A 43 0.217 -4.261 10.770 1.00 1.22 H new ATOM 696 N ILE A 44 1.348 -1.611 5.831 1.00 62.25 N ATOM 697 CA ILE A 44 2.061 -0.464 5.239 1.00 70.43 C ATOM 698 C ILE A 44 1.283 0.844 5.463 1.00 45.21 C ATOM 699 O ILE A 44 0.230 1.054 4.867 1.00 41.43 O ATOM 700 CB ILE A 44 2.285 -0.649 3.713 1.00 55.44 C ATOM 701 CG1 ILE A 44 3.058 -1.947 3.430 1.00 73.12 C ATOM 702 CG2 ILE A 44 3.026 0.556 3.125 1.00 0.21 C ATOM 703 CD1 ILE A 44 3.341 -2.186 1.959 1.00 44.30 C ATOM 0 H ILE A 44 0.475 -1.848 5.360 1.00 62.25 H new ATOM 0 HA ILE A 44 3.029 -0.411 5.738 1.00 70.43 H new ATOM 0 HB ILE A 44 1.309 -0.720 3.233 1.00 55.44 H new ATOM 0 HG12 ILE A 44 4.003 -1.921 3.972 1.00 73.12 H new ATOM 0 HG13 ILE A 44 2.489 -2.790 3.822 1.00 73.12 H new ATOM 0 HG21 ILE A 44 3.173 0.406 2.055 1.00 0.21 H new ATOM 0 HG22 ILE A 44 2.438 1.459 3.288 1.00 0.21 H new ATOM 0 HG23 ILE A 44 3.995 0.661 3.613 1.00 0.21 H new ATOM 0 HD11 ILE A 44 3.889 -3.121 1.841 1.00 44.30 H new ATOM 0 HD12 ILE A 44 2.400 -2.246 1.412 1.00 44.30 H new ATOM 0 HD13 ILE A 44 3.938 -1.363 1.565 1.00 44.30 H new ATOM 715 N ARG A 45 1.802 1.730 6.308 1.00 22.54 N ATOM 716 CA ARG A 45 1.117 3.000 6.594 1.00 35.15 C ATOM 717 C ARG A 45 1.830 4.192 5.935 1.00 4.54 C ATOM 718 O ARG A 45 3.016 4.437 6.179 1.00 70.12 O ATOM 719 CB ARG A 45 1.002 3.227 8.109 1.00 23.34 C ATOM 720 CG ARG A 45 0.266 4.515 8.484 1.00 0.32 C ATOM 721 CD ARG A 45 0.084 4.651 9.994 1.00 2.13 C ATOM 722 NE ARG A 45 -0.646 5.871 10.362 1.00 45.34 N ATOM 723 CZ ARG A 45 -1.876 5.880 10.816 1.00 73.42 C ATOM 724 NH1 ARG A 45 -2.567 4.794 10.874 1.00 34.41 N ATOM 725 NH2 ARG A 45 -2.429 6.989 11.182 1.00 64.21 N ATOM 0 H ARG A 45 2.684 1.601 6.805 1.00 22.54 H new ATOM 0 HA ARG A 45 0.116 2.930 6.169 1.00 35.15 H new ATOM 0 HB2 ARG A 45 0.483 2.379 8.556 1.00 23.34 H new ATOM 0 HB3 ARG A 45 2.003 3.252 8.541 1.00 23.34 H new ATOM 0 HG2 ARG A 45 0.822 5.373 8.107 1.00 0.32 H new ATOM 0 HG3 ARG A 45 -0.710 4.529 7.998 1.00 0.32 H new ATOM 0 HD2 ARG A 45 -0.453 3.781 10.372 1.00 2.13 H new ATOM 0 HD3 ARG A 45 1.062 4.656 10.476 1.00 2.13 H new ATOM 0 HE ARG A 45 -0.167 6.766 10.258 1.00 45.34 H new ATOM 0 HH11 ARG A 45 -2.158 3.912 10.564 1.00 34.41 H new ATOM 0 HH12 ARG A 45 -3.523 4.816 11.230 1.00 34.41 H new ATOM 0 HH21 ARG A 45 -1.908 7.864 11.119 1.00 64.21 H new ATOM 0 HH22 ARG A 45 -3.386 6.990 11.534 1.00 64.21 H new ATOM 739 N ILE A 46 1.094 4.928 5.102 1.00 22.43 N ATOM 740 CA ILE A 46 1.616 6.137 4.450 1.00 11.12 C ATOM 741 C ILE A 46 0.999 7.396 5.082 1.00 73.14 C ATOM 742 O ILE A 46 -0.224 7.514 5.186 1.00 44.21 O ATOM 743 CB ILE A 46 1.323 6.129 2.927 1.00 22.54 C ATOM 744 CG1 ILE A 46 1.860 4.838 2.285 1.00 1.23 C ATOM 745 CG2 ILE A 46 1.933 7.360 2.251 1.00 62.23 C ATOM 746 CD1 ILE A 46 1.603 4.736 0.794 1.00 1.44 C ATOM 0 H ILE A 46 0.128 4.709 4.859 1.00 22.43 H new ATOM 0 HA ILE A 46 2.696 6.148 4.595 1.00 11.12 H new ATOM 0 HB ILE A 46 0.243 6.164 2.785 1.00 22.54 H new ATOM 0 HG12 ILE A 46 2.934 4.775 2.463 1.00 1.23 H new ATOM 0 HG13 ILE A 46 1.404 3.981 2.781 1.00 1.23 H new ATOM 0 HG21 ILE A 46 1.715 7.334 1.183 1.00 62.23 H new ATOM 0 HG22 ILE A 46 1.506 8.263 2.687 1.00 62.23 H new ATOM 0 HG23 ILE A 46 3.013 7.360 2.401 1.00 62.23 H new ATOM 0 HD11 ILE A 46 2.012 3.798 0.418 1.00 1.44 H new ATOM 0 HD12 ILE A 46 0.530 4.765 0.607 1.00 1.44 H new ATOM 0 HD13 ILE A 46 2.083 5.571 0.284 1.00 1.44 H new ATOM 758 N THR A 47 1.849 8.336 5.493 1.00 71.23 N ATOM 759 CA THR A 47 1.396 9.538 6.211 1.00 42.53 C ATOM 760 C THR A 47 1.965 10.830 5.602 1.00 32.11 C ATOM 761 O THR A 47 3.174 10.959 5.412 1.00 51.04 O ATOM 762 CB THR A 47 1.805 9.479 7.708 1.00 4.03 C ATOM 763 OG1 THR A 47 1.166 8.368 8.359 1.00 53.24 O ATOM 764 CG2 THR A 47 1.445 10.770 8.441 1.00 44.45 C ATOM 0 H THR A 47 2.857 8.293 5.343 1.00 71.23 H new ATOM 0 HA THR A 47 0.310 9.555 6.119 1.00 42.53 H new ATOM 0 HB THR A 47 2.887 9.353 7.744 1.00 4.03 H new ATOM 0 HG1 THR A 47 1.434 8.342 9.301 1.00 53.24 H new ATOM 0 HG21 THR A 47 1.746 10.691 9.486 1.00 44.45 H new ATOM 0 HG22 THR A 47 1.963 11.609 7.976 1.00 44.45 H new ATOM 0 HG23 THR A 47 0.369 10.932 8.385 1.00 44.45 H new ATOM 772 N GLY A 48 1.083 11.788 5.311 1.00 13.11 N ATOM 773 CA GLY A 48 1.517 13.117 4.873 1.00 21.22 C ATOM 774 C GLY A 48 1.613 13.288 3.356 1.00 32.34 C ATOM 775 O GLY A 48 2.458 14.039 2.868 1.00 45.00 O ATOM 0 H GLY A 48 0.071 11.671 5.370 1.00 13.11 H new ATOM 0 HA2 GLY A 48 0.822 13.859 5.266 1.00 21.22 H new ATOM 0 HA3 GLY A 48 2.492 13.329 5.312 1.00 21.22 H new ATOM 779 N VAL A 49 0.751 12.607 2.605 1.00 13.15 N ATOM 780 CA VAL A 49 0.713 12.763 1.141 1.00 64.44 C ATOM 781 C VAL A 49 -0.588 13.456 0.684 1.00 21.53 C ATOM 782 O VAL A 49 -1.664 13.200 1.235 1.00 51.01 O ATOM 783 CB VAL A 49 0.865 11.399 0.413 1.00 55.20 C ATOM 784 CG1 VAL A 49 2.221 10.766 0.725 1.00 24.55 C ATOM 785 CG2 VAL A 49 -0.272 10.447 0.778 1.00 11.31 C ATOM 0 H VAL A 49 0.071 11.944 2.977 1.00 13.15 H new ATOM 0 HA VAL A 49 1.560 13.393 0.871 1.00 64.44 H new ATOM 0 HB VAL A 49 0.812 11.587 -0.659 1.00 55.20 H new ATOM 0 HG11 VAL A 49 2.305 9.812 0.205 1.00 24.55 H new ATOM 0 HG12 VAL A 49 3.018 11.432 0.394 1.00 24.55 H new ATOM 0 HG13 VAL A 49 2.308 10.602 1.799 1.00 24.55 H new ATOM 0 HG21 VAL A 49 -0.138 9.501 0.253 1.00 11.31 H new ATOM 0 HG22 VAL A 49 -0.266 10.269 1.853 1.00 11.31 H new ATOM 0 HG23 VAL A 49 -1.225 10.890 0.489 1.00 11.31 H new ATOM 795 N PRO A 50 -0.507 14.347 -0.331 1.00 33.11 N ATOM 796 CA PRO A 50 -1.676 15.103 -0.828 1.00 73.15 C ATOM 797 C PRO A 50 -2.809 14.192 -1.337 1.00 5.11 C ATOM 798 O PRO A 50 -2.574 13.251 -2.103 1.00 33.34 O ATOM 799 CB PRO A 50 -1.098 15.952 -1.977 1.00 3.43 C ATOM 800 CG PRO A 50 0.180 15.274 -2.350 1.00 2.05 C ATOM 801 CD PRO A 50 0.719 14.689 -1.074 1.00 62.04 C ATOM 0 HA PRO A 50 -2.137 15.694 -0.036 1.00 73.15 H new ATOM 0 HB2 PRO A 50 -1.785 15.993 -2.822 1.00 3.43 H new ATOM 0 HB3 PRO A 50 -0.922 16.980 -1.659 1.00 3.43 H new ATOM 0 HG2 PRO A 50 0.008 14.497 -3.095 1.00 2.05 H new ATOM 0 HG3 PRO A 50 0.886 15.982 -2.785 1.00 2.05 H new ATOM 0 HD2 PRO A 50 1.338 13.811 -1.261 1.00 62.04 H new ATOM 0 HD3 PRO A 50 1.336 15.404 -0.530 1.00 62.04 H new ATOM 809 N GLU A 51 -4.041 14.495 -0.924 1.00 11.13 N ATOM 810 CA GLU A 51 -5.196 13.650 -1.250 1.00 44.43 C ATOM 811 C GLU A 51 -5.410 13.511 -2.769 1.00 23.15 C ATOM 812 O GLU A 51 -5.971 12.516 -3.229 1.00 12.40 O ATOM 813 CB GLU A 51 -6.472 14.179 -0.565 1.00 45.22 C ATOM 814 CG GLU A 51 -6.916 15.565 -1.025 1.00 44.32 C ATOM 815 CD GLU A 51 -8.157 16.057 -0.284 1.00 53.54 C ATOM 816 OE1 GLU A 51 -9.235 15.433 -0.429 1.00 33.25 O ATOM 817 OE2 GLU A 51 -8.059 17.060 0.454 1.00 71.42 O ATOM 0 H GLU A 51 -4.267 15.317 -0.364 1.00 11.13 H new ATOM 0 HA GLU A 51 -4.980 12.653 -0.865 1.00 44.43 H new ATOM 0 HB2 GLU A 51 -7.284 13.474 -0.746 1.00 45.22 H new ATOM 0 HB3 GLU A 51 -6.306 14.205 0.512 1.00 45.22 H new ATOM 0 HG2 GLU A 51 -6.101 16.273 -0.873 1.00 44.32 H new ATOM 0 HG3 GLU A 51 -7.122 15.541 -2.095 1.00 44.32 H new ATOM 824 N GLN A 52 -4.944 14.494 -3.544 1.00 5.04 N ATOM 825 CA GLN A 52 -5.046 14.437 -5.011 1.00 53.20 C ATOM 826 C GLN A 52 -4.301 13.218 -5.588 1.00 74.20 C ATOM 827 O GLN A 52 -4.723 12.638 -6.586 1.00 75.04 O ATOM 828 CB GLN A 52 -4.504 15.729 -5.645 1.00 75.13 C ATOM 829 CG GLN A 52 -3.017 15.975 -5.399 1.00 62.24 C ATOM 830 CD GLN A 52 -2.496 17.216 -6.113 1.00 61.33 C ATOM 831 OE1 GLN A 52 -3.003 17.609 -7.158 1.00 2.02 O ATOM 832 NE2 GLN A 52 -1.463 17.829 -5.573 1.00 13.14 N ATOM 0 H GLN A 52 -4.494 15.336 -3.186 1.00 5.04 H new ATOM 0 HA GLN A 52 -6.103 14.335 -5.256 1.00 53.20 H new ATOM 0 HB2 GLN A 52 -4.681 15.694 -6.720 1.00 75.13 H new ATOM 0 HB3 GLN A 52 -5.069 16.576 -5.256 1.00 75.13 H new ATOM 0 HG2 GLN A 52 -2.843 16.078 -4.328 1.00 62.24 H new ATOM 0 HG3 GLN A 52 -2.450 15.106 -5.732 1.00 62.24 H new ATOM 0 HE21 GLN A 52 -1.061 17.481 -4.703 1.00 13.14 H new ATOM 0 HE22 GLN A 52 -1.065 18.652 -6.025 1.00 13.14 H new ATOM 841 N VAL A 53 -3.190 12.837 -4.955 1.00 62.23 N ATOM 842 CA VAL A 53 -2.415 11.666 -5.387 1.00 15.33 C ATOM 843 C VAL A 53 -2.884 10.398 -4.652 1.00 22.22 C ATOM 844 O VAL A 53 -2.728 9.281 -5.150 1.00 41.34 O ATOM 845 CB VAL A 53 -0.895 11.875 -5.147 1.00 75.21 C ATOM 846 CG1 VAL A 53 -0.084 10.696 -5.693 1.00 63.01 C ATOM 847 CG2 VAL A 53 -0.426 13.193 -5.766 1.00 62.44 C ATOM 0 H VAL A 53 -2.805 13.319 -4.143 1.00 62.23 H new ATOM 0 HA VAL A 53 -2.584 11.542 -6.457 1.00 15.33 H new ATOM 0 HB VAL A 53 -0.727 11.925 -4.071 1.00 75.21 H new ATOM 0 HG11 VAL A 53 0.977 10.869 -5.511 1.00 63.01 H new ATOM 0 HG12 VAL A 53 -0.393 9.779 -5.192 1.00 63.01 H new ATOM 0 HG13 VAL A 53 -0.258 10.600 -6.765 1.00 63.01 H new ATOM 0 HG21 VAL A 53 0.642 13.320 -5.586 1.00 62.44 H new ATOM 0 HG22 VAL A 53 -0.614 13.178 -6.840 1.00 62.44 H new ATOM 0 HG23 VAL A 53 -0.971 14.022 -5.314 1.00 62.44 H new ATOM 857 N ARG A 54 -3.475 10.588 -3.471 1.00 14.33 N ATOM 858 CA ARG A 54 -4.006 9.484 -2.652 1.00 24.44 C ATOM 859 C ARG A 54 -4.868 8.522 -3.492 1.00 62.23 C ATOM 860 O ARG A 54 -4.779 7.302 -3.345 1.00 12.23 O ATOM 861 CB ARG A 54 -4.819 10.082 -1.484 1.00 64.42 C ATOM 862 CG ARG A 54 -5.303 9.091 -0.418 1.00 0.51 C ATOM 863 CD ARG A 54 -6.539 8.302 -0.850 1.00 61.43 C ATOM 864 NE ARG A 54 -7.599 9.155 -1.395 1.00 63.00 N ATOM 865 CZ ARG A 54 -8.334 9.981 -0.691 1.00 20.02 C ATOM 866 NH1 ARG A 54 -8.135 10.137 0.578 1.00 63.05 N ATOM 867 NH2 ARG A 54 -9.277 10.650 -1.265 1.00 11.53 N ATOM 0 H ARG A 54 -3.602 11.509 -3.051 1.00 14.33 H new ATOM 0 HA ARG A 54 -3.176 8.898 -2.258 1.00 24.44 H new ATOM 0 HB2 ARG A 54 -4.208 10.840 -0.994 1.00 64.42 H new ATOM 0 HB3 ARG A 54 -5.689 10.592 -1.898 1.00 64.42 H new ATOM 0 HG2 ARG A 54 -4.498 8.394 -0.186 1.00 0.51 H new ATOM 0 HG3 ARG A 54 -5.529 9.635 0.499 1.00 0.51 H new ATOM 0 HD2 ARG A 54 -6.250 7.566 -1.600 1.00 61.43 H new ATOM 0 HD3 ARG A 54 -6.928 7.749 0.005 1.00 61.43 H new ATOM 0 HE ARG A 54 -7.778 9.102 -2.398 1.00 63.00 H new ATOM 0 HH11 ARG A 54 -7.396 9.613 1.047 1.00 63.05 H new ATOM 0 HH12 ARG A 54 -8.717 10.784 1.110 1.00 63.05 H new ATOM 0 HH21 ARG A 54 -9.449 10.535 -2.264 1.00 11.53 H new ATOM 0 HH22 ARG A 54 -9.851 11.293 -0.720 1.00 11.53 H new ATOM 881 N LYS A 55 -5.698 9.082 -4.372 1.00 52.52 N ATOM 882 CA LYS A 55 -6.562 8.282 -5.253 1.00 23.24 C ATOM 883 C LYS A 55 -5.741 7.370 -6.186 1.00 64.54 C ATOM 884 O LYS A 55 -6.078 6.201 -6.385 1.00 25.44 O ATOM 885 CB LYS A 55 -7.471 9.205 -6.079 1.00 3.31 C ATOM 886 CG LYS A 55 -6.710 10.256 -6.886 1.00 74.44 C ATOM 887 CD LYS A 55 -7.649 11.247 -7.572 1.00 1.33 C ATOM 888 CE LYS A 55 -8.526 10.579 -8.626 1.00 65.35 C ATOM 889 NZ LYS A 55 -9.415 11.557 -9.306 1.00 74.04 N ATOM 0 H LYS A 55 -5.793 10.090 -4.497 1.00 52.52 H new ATOM 0 HA LYS A 55 -7.176 7.640 -4.621 1.00 23.24 H new ATOM 0 HB2 LYS A 55 -8.067 8.598 -6.761 1.00 3.31 H new ATOM 0 HB3 LYS A 55 -8.168 9.709 -5.409 1.00 3.31 H new ATOM 0 HG2 LYS A 55 -6.032 10.797 -6.226 1.00 74.44 H new ATOM 0 HG3 LYS A 55 -6.096 9.760 -7.637 1.00 74.44 H new ATOM 0 HD2 LYS A 55 -8.283 11.722 -6.823 1.00 1.33 H new ATOM 0 HD3 LYS A 55 -7.061 12.037 -8.039 1.00 1.33 H new ATOM 0 HE2 LYS A 55 -7.894 10.087 -9.366 1.00 65.35 H new ATOM 0 HE3 LYS A 55 -9.131 9.803 -8.157 1.00 65.35 H new ATOM 0 HZ1 LYS A 55 -9.995 11.064 -10.015 1.00 74.04 H new ATOM 0 HZ2 LYS A 55 -10.036 12.009 -8.604 1.00 74.04 H new ATOM 0 HZ3 LYS A 55 -8.837 12.283 -9.775 1.00 74.04 H new ATOM 903 N GLU A 56 -4.659 7.910 -6.745 1.00 11.34 N ATOM 904 CA GLU A 56 -3.771 7.138 -7.623 1.00 2.54 C ATOM 905 C GLU A 56 -3.066 6.024 -6.837 1.00 62.54 C ATOM 906 O GLU A 56 -2.996 4.880 -7.287 1.00 62.03 O ATOM 907 CB GLU A 56 -2.731 8.062 -8.274 1.00 62.35 C ATOM 908 CG GLU A 56 -3.336 9.186 -9.116 1.00 12.14 C ATOM 909 CD GLU A 56 -4.195 8.670 -10.263 1.00 65.43 C ATOM 910 OE1 GLU A 56 -3.649 8.006 -11.169 1.00 72.53 O ATOM 911 OE2 GLU A 56 -5.419 8.937 -10.275 1.00 11.23 O ATOM 0 H GLU A 56 -4.373 8.879 -6.607 1.00 11.34 H new ATOM 0 HA GLU A 56 -4.377 6.680 -8.405 1.00 2.54 H new ATOM 0 HB2 GLU A 56 -2.111 8.501 -7.492 1.00 62.35 H new ATOM 0 HB3 GLU A 56 -2.073 7.464 -8.904 1.00 62.35 H new ATOM 0 HG2 GLU A 56 -3.941 9.828 -8.476 1.00 12.14 H new ATOM 0 HG3 GLU A 56 -2.533 9.804 -9.519 1.00 12.14 H new ATOM 918 N LEU A 57 -2.553 6.370 -5.657 1.00 60.40 N ATOM 919 CA LEU A 57 -1.901 5.397 -4.770 1.00 72.42 C ATOM 920 C LEU A 57 -2.849 4.239 -4.421 1.00 70.24 C ATOM 921 O LEU A 57 -2.459 3.070 -4.434 1.00 0.35 O ATOM 922 CB LEU A 57 -1.435 6.089 -3.480 1.00 42.35 C ATOM 923 CG LEU A 57 -0.410 7.218 -3.673 1.00 71.11 C ATOM 924 CD1 LEU A 57 -0.079 7.884 -2.341 1.00 62.20 C ATOM 925 CD2 LEU A 57 0.857 6.692 -4.346 1.00 42.10 C ATOM 0 H LEU A 57 -2.575 7.321 -5.288 1.00 60.40 H new ATOM 0 HA LEU A 57 -1.039 4.988 -5.297 1.00 72.42 H new ATOM 0 HB2 LEU A 57 -2.308 6.497 -2.970 1.00 42.35 H new ATOM 0 HB3 LEU A 57 -1.003 5.337 -2.820 1.00 42.35 H new ATOM 0 HG LEU A 57 -0.854 7.969 -4.326 1.00 71.11 H new ATOM 0 HD11 LEU A 57 0.648 8.680 -2.503 1.00 62.20 H new ATOM 0 HD12 LEU A 57 -0.987 8.305 -1.909 1.00 62.20 H new ATOM 0 HD13 LEU A 57 0.339 7.144 -1.658 1.00 62.20 H new ATOM 0 HD21 LEU A 57 1.568 7.509 -4.472 1.00 42.10 H new ATOM 0 HD22 LEU A 57 1.303 5.915 -3.725 1.00 42.10 H new ATOM 0 HD23 LEU A 57 0.605 6.276 -5.322 1.00 42.10 H new ATOM 937 N ALA A 58 -4.097 4.578 -4.114 1.00 40.11 N ATOM 938 CA ALA A 58 -5.108 3.578 -3.769 1.00 32.43 C ATOM 939 C ALA A 58 -5.409 2.642 -4.951 1.00 4.42 C ATOM 940 O ALA A 58 -5.454 1.422 -4.794 1.00 31.20 O ATOM 941 CB ALA A 58 -6.383 4.267 -3.297 1.00 72.24 C ATOM 0 H ALA A 58 -4.436 5.540 -4.096 1.00 40.11 H new ATOM 0 HA ALA A 58 -4.711 2.965 -2.960 1.00 32.43 H new ATOM 0 HB1 ALA A 58 -7.130 3.515 -3.042 1.00 72.24 H new ATOM 0 HB2 ALA A 58 -6.165 4.874 -2.418 1.00 72.24 H new ATOM 0 HB3 ALA A 58 -6.767 4.905 -4.092 1.00 72.24 H new ATOM 947 N LYS A 59 -5.596 3.220 -6.136 1.00 63.45 N ATOM 948 CA LYS A 59 -5.940 2.435 -7.326 1.00 61.25 C ATOM 949 C LYS A 59 -4.753 1.598 -7.833 1.00 61.43 C ATOM 950 O LYS A 59 -4.941 0.491 -8.345 1.00 52.32 O ATOM 951 CB LYS A 59 -6.472 3.349 -8.435 1.00 3.41 C ATOM 952 CG LYS A 59 -6.983 2.587 -9.659 1.00 62.20 C ATOM 953 CD LYS A 59 -7.833 3.467 -10.571 1.00 63.10 C ATOM 954 CE LYS A 59 -9.053 4.020 -9.838 1.00 73.02 C ATOM 955 NZ LYS A 59 -9.862 2.943 -9.195 1.00 72.25 N ATOM 0 H LYS A 59 -5.516 4.224 -6.300 1.00 63.45 H new ATOM 0 HA LYS A 59 -6.725 1.735 -7.038 1.00 61.25 H new ATOM 0 HB2 LYS A 59 -7.280 3.961 -8.034 1.00 3.41 H new ATOM 0 HB3 LYS A 59 -5.680 4.030 -8.745 1.00 3.41 H new ATOM 0 HG2 LYS A 59 -6.135 2.196 -10.221 1.00 62.20 H new ATOM 0 HG3 LYS A 59 -7.572 1.730 -9.332 1.00 62.20 H new ATOM 0 HD2 LYS A 59 -7.229 4.292 -10.948 1.00 63.10 H new ATOM 0 HD3 LYS A 59 -8.158 2.889 -11.436 1.00 63.10 H new ATOM 0 HE2 LYS A 59 -8.727 4.730 -9.078 1.00 73.02 H new ATOM 0 HE3 LYS A 59 -9.678 4.571 -10.541 1.00 73.02 H new ATOM 0 HZ1 LYS A 59 -10.755 3.343 -8.842 1.00 72.25 H new ATOM 0 HZ2 LYS A 59 -10.068 2.200 -9.893 1.00 72.25 H new ATOM 0 HZ3 LYS A 59 -9.328 2.535 -8.402 1.00 72.25 H new ATOM 969 N GLU A 60 -3.536 2.118 -7.697 1.00 12.40 N ATOM 970 CA GLU A 60 -2.340 1.339 -8.034 1.00 50.21 C ATOM 971 C GLU A 60 -2.224 0.124 -7.100 1.00 13.11 C ATOM 972 O GLU A 60 -1.841 -0.971 -7.521 1.00 55.01 O ATOM 973 CB GLU A 60 -1.076 2.217 -7.965 1.00 1.24 C ATOM 974 CG GLU A 60 0.217 1.475 -8.312 1.00 30.04 C ATOM 975 CD GLU A 60 1.393 2.410 -8.567 1.00 61.33 C ATOM 976 OE1 GLU A 60 1.765 3.176 -7.655 1.00 62.40 O ATOM 977 OE2 GLU A 60 1.942 2.399 -9.695 1.00 70.03 O ATOM 0 H GLU A 60 -3.349 3.063 -7.361 1.00 12.40 H new ATOM 0 HA GLU A 60 -2.433 0.978 -9.058 1.00 50.21 H new ATOM 0 HB2 GLU A 60 -1.194 3.059 -8.647 1.00 1.24 H new ATOM 0 HB3 GLU A 60 -0.987 2.630 -6.960 1.00 1.24 H new ATOM 0 HG2 GLU A 60 0.470 0.797 -7.497 1.00 30.04 H new ATOM 0 HG3 GLU A 60 0.050 0.861 -9.197 1.00 30.04 H new ATOM 984 N ALA A 61 -2.595 0.325 -5.833 1.00 20.42 N ATOM 985 CA ALA A 61 -2.680 -0.771 -4.862 1.00 64.10 C ATOM 986 C ALA A 61 -3.751 -1.795 -5.273 1.00 62.42 C ATOM 987 O ALA A 61 -3.563 -3.003 -5.116 1.00 5.04 O ATOM 988 CB ALA A 61 -2.969 -0.227 -3.466 1.00 44.24 C ATOM 0 H ALA A 61 -2.842 1.239 -5.454 1.00 20.42 H new ATOM 0 HA ALA A 61 -1.717 -1.280 -4.845 1.00 64.10 H new ATOM 0 HB1 ALA A 61 -3.029 -1.054 -2.758 1.00 44.24 H new ATOM 0 HB2 ALA A 61 -2.169 0.450 -3.166 1.00 44.24 H new ATOM 0 HB3 ALA A 61 -3.916 0.312 -3.475 1.00 44.24 H new ATOM 994 N GLU A 62 -4.876 -1.306 -5.804 1.00 64.12 N ATOM 995 CA GLU A 62 -5.930 -2.186 -6.327 1.00 41.52 C ATOM 996 C GLU A 62 -5.383 -3.102 -7.433 1.00 51.45 C ATOM 997 O GLU A 62 -5.717 -4.289 -7.495 1.00 2.05 O ATOM 998 CB GLU A 62 -7.120 -1.370 -6.867 1.00 75.55 C ATOM 999 CG GLU A 62 -7.785 -0.467 -5.829 1.00 52.51 C ATOM 1000 CD GLU A 62 -9.076 0.167 -6.335 1.00 1.24 C ATOM 1001 OE1 GLU A 62 -9.014 1.056 -7.217 1.00 5.40 O ATOM 1002 OE2 GLU A 62 -10.162 -0.222 -5.850 1.00 21.34 O ATOM 0 H GLU A 62 -5.081 -0.310 -5.884 1.00 64.12 H new ATOM 0 HA GLU A 62 -6.279 -2.803 -5.499 1.00 41.52 H new ATOM 0 HB2 GLU A 62 -6.777 -0.756 -7.699 1.00 75.55 H new ATOM 0 HB3 GLU A 62 -7.866 -2.058 -7.265 1.00 75.55 H new ATOM 0 HG2 GLU A 62 -7.999 -1.049 -4.932 1.00 52.51 H new ATOM 0 HG3 GLU A 62 -7.089 0.320 -5.540 1.00 52.51 H new ATOM 1009 N ARG A 63 -4.536 -2.548 -8.306 1.00 51.25 N ATOM 1010 CA ARG A 63 -3.887 -3.350 -9.349 1.00 52.34 C ATOM 1011 C ARG A 63 -3.012 -4.451 -8.733 1.00 34.43 C ATOM 1012 O ARG A 63 -3.039 -5.591 -9.185 1.00 1.21 O ATOM 1013 CB ARG A 63 -3.028 -2.481 -10.278 1.00 41.21 C ATOM 1014 CG ARG A 63 -2.297 -3.294 -11.348 1.00 70.22 C ATOM 1015 CD ARG A 63 -1.372 -2.437 -12.203 1.00 70.22 C ATOM 1016 NE ARG A 63 -0.619 -3.247 -13.162 1.00 74.45 N ATOM 1017 CZ ARG A 63 0.189 -2.757 -14.068 1.00 20.22 C ATOM 1018 NH1 ARG A 63 0.364 -1.480 -14.181 1.00 23.31 N ATOM 1019 NH2 ARG A 63 0.825 -3.549 -14.865 1.00 34.14 N ATOM 0 H ARG A 63 -4.285 -1.559 -8.313 1.00 51.25 H new ATOM 0 HA ARG A 63 -4.683 -3.808 -9.936 1.00 52.34 H new ATOM 0 HB2 ARG A 63 -3.663 -1.740 -10.763 1.00 41.21 H new ATOM 0 HB3 ARG A 63 -2.297 -1.934 -9.682 1.00 41.21 H new ATOM 0 HG2 ARG A 63 -1.716 -4.081 -10.868 1.00 70.22 H new ATOM 0 HG3 ARG A 63 -3.029 -3.784 -11.990 1.00 70.22 H new ATOM 0 HD2 ARG A 63 -1.959 -1.690 -12.738 1.00 70.22 H new ATOM 0 HD3 ARG A 63 -0.678 -1.896 -11.559 1.00 70.22 H new ATOM 0 HE ARG A 63 -0.731 -4.260 -13.122 1.00 74.45 H new ATOM 0 HH11 ARG A 63 -0.131 -0.840 -13.559 1.00 23.31 H new ATOM 0 HH12 ARG A 63 0.997 -1.113 -14.892 1.00 23.31 H new ATOM 0 HH21 ARG A 63 0.698 -4.558 -14.789 1.00 34.14 H new ATOM 0 HH22 ARG A 63 1.454 -3.165 -15.570 1.00 34.14 H new ATOM 1033 N LEU A 64 -2.235 -4.095 -7.707 1.00 14.33 N ATOM 1034 CA LEU A 64 -1.385 -5.065 -6.997 1.00 71.02 C ATOM 1035 C LEU A 64 -2.191 -6.308 -6.580 1.00 40.12 C ATOM 1036 O LEU A 64 -1.718 -7.441 -6.694 1.00 33.50 O ATOM 1037 CB LEU A 64 -0.753 -4.406 -5.758 1.00 75.44 C ATOM 1038 CG LEU A 64 0.133 -3.178 -6.044 1.00 31.50 C ATOM 1039 CD1 LEU A 64 0.571 -2.504 -4.744 1.00 24.30 C ATOM 1040 CD2 LEU A 64 1.351 -3.573 -6.874 1.00 32.44 C ATOM 0 H LEU A 64 -2.174 -3.143 -7.346 1.00 14.33 H new ATOM 0 HA LEU A 64 -0.595 -5.385 -7.676 1.00 71.02 H new ATOM 0 HB2 LEU A 64 -1.552 -4.107 -5.079 1.00 75.44 H new ATOM 0 HB3 LEU A 64 -0.154 -5.152 -5.236 1.00 75.44 H new ATOM 0 HG LEU A 64 -0.459 -2.464 -6.616 1.00 31.50 H new ATOM 0 HD11 LEU A 64 1.195 -1.640 -4.974 1.00 24.30 H new ATOM 0 HD12 LEU A 64 -0.309 -2.178 -4.189 1.00 24.30 H new ATOM 0 HD13 LEU A 64 1.139 -3.212 -4.141 1.00 24.30 H new ATOM 0 HD21 LEU A 64 1.963 -2.691 -7.065 1.00 32.44 H new ATOM 0 HD22 LEU A 64 1.939 -4.312 -6.329 1.00 32.44 H new ATOM 0 HD23 LEU A 64 1.023 -3.999 -7.822 1.00 32.44 H new ATOM 1052 N ALA A 65 -3.417 -6.084 -6.114 1.00 2.31 N ATOM 1053 CA ALA A 65 -4.321 -7.175 -5.741 1.00 30.41 C ATOM 1054 C ALA A 65 -4.729 -8.017 -6.959 1.00 43.31 C ATOM 1055 O ALA A 65 -4.517 -9.227 -6.991 1.00 53.23 O ATOM 1056 CB ALA A 65 -5.561 -6.616 -5.057 1.00 24.12 C ATOM 0 H ALA A 65 -3.811 -5.152 -5.984 1.00 2.31 H new ATOM 0 HA ALA A 65 -3.786 -7.826 -5.050 1.00 30.41 H new ATOM 0 HB1 ALA A 65 -6.226 -7.435 -4.784 1.00 24.12 H new ATOM 0 HB2 ALA A 65 -5.267 -6.072 -4.159 1.00 24.12 H new ATOM 0 HB3 ALA A 65 -6.078 -5.940 -5.738 1.00 24.12 H new ATOM 1062 N LYS A 66 -5.306 -7.359 -7.961 1.00 65.31 N ATOM 1063 CA LYS A 66 -5.804 -8.044 -9.162 1.00 32.51 C ATOM 1064 C LYS A 66 -4.665 -8.684 -9.978 1.00 51.02 C ATOM 1065 O LYS A 66 -4.889 -9.627 -10.739 1.00 33.32 O ATOM 1066 CB LYS A 66 -6.583 -7.053 -10.039 1.00 72.02 C ATOM 1067 CG LYS A 66 -7.746 -6.376 -9.313 1.00 61.14 C ATOM 1068 CD LYS A 66 -8.463 -5.356 -10.194 1.00 34.21 C ATOM 1069 CE LYS A 66 -9.117 -6.003 -11.411 1.00 52.23 C ATOM 1070 NZ LYS A 66 -9.801 -5.001 -12.270 1.00 12.44 N ATOM 0 H LYS A 66 -5.443 -6.348 -7.970 1.00 65.31 H new ATOM 0 HA LYS A 66 -6.463 -8.848 -8.834 1.00 32.51 H new ATOM 0 HB2 LYS A 66 -5.898 -6.287 -10.404 1.00 72.02 H new ATOM 0 HB3 LYS A 66 -6.968 -7.579 -10.913 1.00 72.02 H new ATOM 0 HG2 LYS A 66 -8.458 -7.134 -8.985 1.00 61.14 H new ATOM 0 HG3 LYS A 66 -7.373 -5.880 -8.417 1.00 61.14 H new ATOM 0 HD2 LYS A 66 -9.223 -4.841 -9.606 1.00 34.21 H new ATOM 0 HD3 LYS A 66 -7.751 -4.600 -10.525 1.00 34.21 H new ATOM 0 HE2 LYS A 66 -8.360 -6.526 -11.995 1.00 52.23 H new ATOM 0 HE3 LYS A 66 -9.838 -6.751 -11.081 1.00 52.23 H new ATOM 0 HZ1 LYS A 66 -10.233 -5.480 -13.086 1.00 12.44 H new ATOM 0 HZ2 LYS A 66 -10.541 -4.520 -11.720 1.00 12.44 H new ATOM 0 HZ3 LYS A 66 -9.109 -4.301 -12.606 1.00 12.44 H new ATOM 1084 N GLU A 67 -3.453 -8.159 -9.820 1.00 43.54 N ATOM 1085 CA GLU A 67 -2.278 -8.664 -10.539 1.00 14.41 C ATOM 1086 C GLU A 67 -1.679 -9.897 -9.841 1.00 74.34 C ATOM 1087 O GLU A 67 -1.538 -10.960 -10.441 1.00 70.35 O ATOM 1088 CB GLU A 67 -1.217 -7.557 -10.644 1.00 32.42 C ATOM 1089 CG GLU A 67 0.037 -7.949 -11.427 1.00 22.40 C ATOM 1090 CD GLU A 67 -0.239 -8.213 -12.899 1.00 50.20 C ATOM 1091 OE1 GLU A 67 -0.447 -7.233 -13.651 1.00 41.12 O ATOM 1092 OE2 GLU A 67 -0.231 -9.393 -13.317 1.00 74.41 O ATOM 0 H GLU A 67 -3.254 -7.377 -9.196 1.00 43.54 H new ATOM 0 HA GLU A 67 -2.596 -8.964 -11.538 1.00 14.41 H new ATOM 0 HB2 GLU A 67 -1.667 -6.684 -11.117 1.00 32.42 H new ATOM 0 HB3 GLU A 67 -0.923 -7.258 -9.638 1.00 32.42 H new ATOM 0 HG2 GLU A 67 0.777 -7.153 -11.339 1.00 22.40 H new ATOM 0 HG3 GLU A 67 0.474 -8.842 -10.979 1.00 22.40 H new ATOM 1099 N PHE A 68 -1.332 -9.745 -8.562 1.00 13.10 N ATOM 1100 CA PHE A 68 -0.659 -10.813 -7.804 1.00 22.14 C ATOM 1101 C PHE A 68 -1.656 -11.685 -7.020 1.00 71.03 C ATOM 1102 O PHE A 68 -1.257 -12.570 -6.261 1.00 35.42 O ATOM 1103 CB PHE A 68 0.371 -10.195 -6.848 1.00 13.31 C ATOM 1104 CG PHE A 68 1.349 -9.277 -7.542 1.00 52.31 C ATOM 1105 CD1 PHE A 68 2.351 -9.793 -8.353 1.00 30.05 C ATOM 1106 CD2 PHE A 68 1.258 -7.898 -7.396 1.00 32.23 C ATOM 1107 CE1 PHE A 68 3.236 -8.954 -9.002 1.00 41.20 C ATOM 1108 CE2 PHE A 68 2.143 -7.057 -8.042 1.00 73.51 C ATOM 1109 CZ PHE A 68 3.132 -7.586 -8.846 1.00 3.11 C ATOM 0 H PHE A 68 -1.504 -8.895 -8.025 1.00 13.10 H new ATOM 0 HA PHE A 68 -0.156 -11.464 -8.519 1.00 22.14 H new ATOM 0 HB2 PHE A 68 -0.152 -9.638 -6.071 1.00 13.31 H new ATOM 0 HB3 PHE A 68 0.922 -10.994 -6.351 1.00 13.31 H new ATOM 0 HD1 PHE A 68 2.439 -10.862 -8.478 1.00 30.05 H new ATOM 0 HD2 PHE A 68 0.485 -7.478 -6.769 1.00 32.23 H new ATOM 0 HE1 PHE A 68 4.010 -9.368 -9.632 1.00 41.20 H new ATOM 0 HE2 PHE A 68 2.061 -5.987 -7.918 1.00 73.51 H new ATOM 0 HZ PHE A 68 3.824 -6.930 -9.353 1.00 3.11 H new ATOM 1119 N ASN A 69 -2.953 -11.422 -7.208 1.00 61.22 N ATOM 1120 CA ASN A 69 -4.029 -12.184 -6.545 1.00 22.03 C ATOM 1121 C ASN A 69 -3.974 -12.065 -5.010 1.00 12.13 C ATOM 1122 O ASN A 69 -4.557 -12.877 -4.289 1.00 4.11 O ATOM 1123 CB ASN A 69 -3.984 -13.656 -6.972 1.00 0.44 C ATOM 1124 CG ASN A 69 -4.307 -13.830 -8.443 1.00 33.03 C ATOM 1125 OD1 ASN A 69 -5.462 -14.008 -8.820 1.00 34.20 O ATOM 1126 ND2 ASN A 69 -3.302 -13.768 -9.287 1.00 51.33 N ATOM 0 H ASN A 69 -3.291 -10.679 -7.820 1.00 61.22 H new ATOM 0 HA ASN A 69 -4.975 -11.747 -6.865 1.00 22.03 H new ATOM 0 HB2 ASN A 69 -2.994 -14.063 -6.768 1.00 0.44 H new ATOM 0 HB3 ASN A 69 -4.693 -14.229 -6.375 1.00 0.44 H new ATOM 0 HD21 ASN A 69 -3.470 -13.869 -10.288 1.00 51.33 H new ATOM 0 HD22 ASN A 69 -2.354 -13.619 -8.941 1.00 51.33 H new ATOM 1133 N ILE A 70 -3.300 -11.028 -4.524 1.00 25.24 N ATOM 1134 CA ILE A 70 -3.182 -10.780 -3.084 1.00 54.14 C ATOM 1135 C ILE A 70 -4.325 -9.890 -2.574 1.00 25.14 C ATOM 1136 O ILE A 70 -4.900 -9.104 -3.327 1.00 13.41 O ATOM 1137 CB ILE A 70 -1.819 -10.123 -2.740 1.00 55.14 C ATOM 1138 CG1 ILE A 70 -1.639 -8.803 -3.517 1.00 13.22 C ATOM 1139 CG2 ILE A 70 -0.673 -11.091 -3.039 1.00 34.44 C ATOM 1140 CD1 ILE A 70 -0.313 -8.111 -3.262 1.00 63.04 C ATOM 0 H ILE A 70 -2.823 -10.340 -5.107 1.00 25.24 H new ATOM 0 HA ILE A 70 -3.244 -11.748 -2.587 1.00 54.14 H new ATOM 0 HB ILE A 70 -1.805 -9.891 -1.675 1.00 55.14 H new ATOM 0 HG12 ILE A 70 -1.731 -9.006 -4.584 1.00 13.22 H new ATOM 0 HG13 ILE A 70 -2.449 -8.124 -3.251 1.00 13.22 H new ATOM 0 HG21 ILE A 70 0.277 -10.617 -2.793 1.00 34.44 H new ATOM 0 HG22 ILE A 70 -0.794 -11.994 -2.440 1.00 34.44 H new ATOM 0 HG23 ILE A 70 -0.685 -11.353 -4.097 1.00 34.44 H new ATOM 0 HD11 ILE A 70 -0.265 -7.191 -3.845 1.00 63.04 H new ATOM 0 HD12 ILE A 70 -0.224 -7.874 -2.202 1.00 63.04 H new ATOM 0 HD13 ILE A 70 0.504 -8.770 -3.556 1.00 63.04 H new ATOM 1152 N THR A 71 -4.666 -10.027 -1.298 1.00 63.14 N ATOM 1153 CA THR A 71 -5.737 -9.221 -0.688 1.00 12.32 C ATOM 1154 C THR A 71 -5.191 -7.894 -0.138 1.00 64.21 C ATOM 1155 O THR A 71 -4.302 -7.886 0.711 1.00 42.12 O ATOM 1156 CB THR A 71 -6.436 -9.983 0.470 1.00 72.44 C ATOM 1157 OG1 THR A 71 -6.901 -11.269 0.019 1.00 51.33 O ATOM 1158 CG2 THR A 71 -7.617 -9.186 1.029 1.00 74.23 C ATOM 0 H THR A 71 -4.221 -10.686 -0.659 1.00 63.14 H new ATOM 0 HA THR A 71 -6.461 -9.021 -1.478 1.00 12.32 H new ATOM 0 HB THR A 71 -5.700 -10.118 1.263 1.00 72.44 H new ATOM 0 HG1 THR A 71 -7.338 -11.738 0.761 1.00 51.33 H new ATOM 0 HG21 THR A 71 -8.084 -9.747 1.838 1.00 74.23 H new ATOM 0 HG22 THR A 71 -7.262 -8.228 1.410 1.00 74.23 H new ATOM 0 HG23 THR A 71 -8.347 -9.014 0.238 1.00 74.23 H new ATOM 1166 N VAL A 72 -5.730 -6.775 -0.613 1.00 30.42 N ATOM 1167 CA VAL A 72 -5.307 -5.453 -0.136 1.00 71.22 C ATOM 1168 C VAL A 72 -6.493 -4.640 0.400 1.00 55.24 C ATOM 1169 O VAL A 72 -7.557 -4.578 -0.218 1.00 41.13 O ATOM 1170 CB VAL A 72 -4.589 -4.641 -1.248 1.00 34.31 C ATOM 1171 CG1 VAL A 72 -5.543 -4.298 -2.390 1.00 32.31 C ATOM 1172 CG2 VAL A 72 -3.961 -3.375 -0.670 1.00 34.33 C ATOM 0 H VAL A 72 -6.459 -6.752 -1.326 1.00 30.42 H new ATOM 0 HA VAL A 72 -4.603 -5.632 0.677 1.00 71.22 H new ATOM 0 HB VAL A 72 -3.794 -5.265 -1.656 1.00 34.31 H new ATOM 0 HG11 VAL A 72 -5.009 -3.730 -3.152 1.00 32.31 H new ATOM 0 HG12 VAL A 72 -5.931 -5.217 -2.829 1.00 32.31 H new ATOM 0 HG13 VAL A 72 -6.371 -3.702 -2.006 1.00 32.31 H new ATOM 0 HG21 VAL A 72 -3.463 -2.820 -1.465 1.00 34.33 H new ATOM 0 HG22 VAL A 72 -4.738 -2.753 -0.226 1.00 34.33 H new ATOM 0 HG23 VAL A 72 -3.233 -3.646 0.094 1.00 34.33 H new ATOM 1182 N THR A 73 -6.308 -4.031 1.567 1.00 62.22 N ATOM 1183 CA THR A 73 -7.329 -3.159 2.168 1.00 72.11 C ATOM 1184 C THR A 73 -6.677 -1.963 2.865 1.00 60.04 C ATOM 1185 O THR A 73 -5.618 -2.097 3.478 1.00 4.45 O ATOM 1186 CB THR A 73 -8.220 -3.914 3.192 1.00 3.51 C ATOM 1187 OG1 THR A 73 -7.410 -4.565 4.187 1.00 11.01 O ATOM 1188 CG2 THR A 73 -9.109 -4.947 2.502 1.00 11.01 C ATOM 0 H THR A 73 -5.458 -4.122 2.123 1.00 62.22 H new ATOM 0 HA THR A 73 -7.962 -2.815 1.350 1.00 72.11 H new ATOM 0 HB THR A 73 -8.859 -3.174 3.675 1.00 3.51 H new ATOM 0 HG1 THR A 73 -7.988 -5.034 4.824 1.00 11.01 H new ATOM 0 HG21 THR A 73 -9.720 -5.457 3.247 1.00 11.01 H new ATOM 0 HG22 THR A 73 -9.757 -4.447 1.783 1.00 11.01 H new ATOM 0 HG23 THR A 73 -8.485 -5.675 1.983 1.00 11.01 H new ATOM 1196 N TYR A 74 -7.305 -0.794 2.765 1.00 60.53 N ATOM 1197 CA TYR A 74 -6.739 0.432 3.333 1.00 64.11 C ATOM 1198 C TYR A 74 -7.788 1.295 4.054 1.00 43.42 C ATOM 1199 O TYR A 74 -8.846 1.602 3.506 1.00 73.05 O ATOM 1200 CB TYR A 74 -6.023 1.249 2.242 1.00 22.13 C ATOM 1201 CG TYR A 74 -6.785 1.365 0.931 1.00 63.13 C ATOM 1202 CD1 TYR A 74 -7.762 2.339 0.746 1.00 3.44 C ATOM 1203 CD2 TYR A 74 -6.510 0.505 -0.130 1.00 70.33 C ATOM 1204 CE1 TYR A 74 -8.444 2.449 -0.452 1.00 22.32 C ATOM 1205 CE2 TYR A 74 -7.189 0.608 -1.329 1.00 34.30 C ATOM 1206 CZ TYR A 74 -8.153 1.582 -1.487 1.00 12.20 C ATOM 1207 OH TYR A 74 -8.827 1.692 -2.684 1.00 43.24 O ATOM 0 H TYR A 74 -8.203 -0.667 2.298 1.00 60.53 H new ATOM 0 HA TYR A 74 -6.014 0.126 4.087 1.00 64.11 H new ATOM 0 HB2 TYR A 74 -5.831 2.251 2.625 1.00 22.13 H new ATOM 0 HB3 TYR A 74 -5.053 0.793 2.044 1.00 22.13 H new ATOM 0 HD1 TYR A 74 -7.991 3.020 1.552 1.00 3.44 H new ATOM 0 HD2 TYR A 74 -5.752 -0.256 -0.013 1.00 70.33 H new ATOM 0 HE1 TYR A 74 -9.201 3.209 -0.578 1.00 22.32 H new ATOM 0 HE2 TYR A 74 -6.966 -0.071 -2.139 1.00 34.30 H new ATOM 0 HH TYR A 74 -8.502 1.008 -3.306 1.00 43.24 H new ATOM 1217 N THR A 75 -7.479 1.671 5.295 1.00 10.31 N ATOM 1218 CA THR A 75 -8.322 2.592 6.078 1.00 40.23 C ATOM 1219 C THR A 75 -7.700 3.998 6.093 1.00 64.33 C ATOM 1220 O THR A 75 -6.548 4.172 6.500 1.00 65.34 O ATOM 1221 CB THR A 75 -8.509 2.094 7.535 1.00 11.24 C ATOM 1222 OG1 THR A 75 -9.060 0.763 7.536 1.00 23.52 O ATOM 1223 CG2 THR A 75 -9.431 3.021 8.324 1.00 72.23 C ATOM 0 H THR A 75 -6.645 1.352 5.788 1.00 10.31 H new ATOM 0 HA THR A 75 -9.301 2.628 5.600 1.00 40.23 H new ATOM 0 HB THR A 75 -7.529 2.089 8.013 1.00 11.24 H new ATOM 0 HG1 THR A 75 -9.173 0.456 8.460 1.00 23.52 H new ATOM 0 HG21 THR A 75 -9.542 2.645 9.341 1.00 72.23 H new ATOM 0 HG22 THR A 75 -9.002 4.023 8.353 1.00 72.23 H new ATOM 0 HG23 THR A 75 -10.408 3.058 7.842 1.00 72.23 H new ATOM 1231 N ILE A 76 -8.460 5.002 5.656 1.00 40.41 N ATOM 1232 CA ILE A 76 -7.903 6.340 5.412 1.00 51.22 C ATOM 1233 C ILE A 76 -8.617 7.439 6.219 1.00 42.23 C ATOM 1234 O ILE A 76 -9.841 7.437 6.354 1.00 23.35 O ATOM 1235 CB ILE A 76 -7.982 6.689 3.903 1.00 42.15 C ATOM 1236 CG1 ILE A 76 -7.357 5.560 3.066 1.00 51.10 C ATOM 1237 CG2 ILE A 76 -7.294 8.025 3.616 1.00 1.52 C ATOM 1238 CD1 ILE A 76 -7.361 5.821 1.578 1.00 31.20 C ATOM 0 H ILE A 76 -9.458 4.919 5.463 1.00 40.41 H new ATOM 0 HA ILE A 76 -6.864 6.307 5.741 1.00 51.22 H new ATOM 0 HB ILE A 76 -9.031 6.788 3.624 1.00 42.15 H new ATOM 0 HG12 ILE A 76 -6.329 5.405 3.394 1.00 51.10 H new ATOM 0 HG13 ILE A 76 -7.897 4.634 3.263 1.00 51.10 H new ATOM 0 HG21 ILE A 76 -7.362 8.248 2.551 1.00 1.52 H new ATOM 0 HG22 ILE A 76 -7.783 8.816 4.185 1.00 1.52 H new ATOM 0 HG23 ILE A 76 -6.245 7.964 3.907 1.00 1.52 H new ATOM 0 HD11 ILE A 76 -6.903 4.978 1.060 1.00 31.20 H new ATOM 0 HD12 ILE A 76 -8.388 5.945 1.233 1.00 31.20 H new ATOM 0 HD13 ILE A 76 -6.795 6.728 1.366 1.00 31.20 H new ATOM 1250 N ARG A 77 -7.833 8.379 6.746 1.00 32.40 N ATOM 1251 CA ARG A 77 -8.370 9.552 7.446 1.00 61.02 C ATOM 1252 C ARG A 77 -7.521 10.796 7.154 1.00 71.20 C ATOM 1253 O ARG A 77 -6.465 10.708 6.527 1.00 75.35 O ATOM 1254 CB ARG A 77 -8.419 9.306 8.959 1.00 41.44 C ATOM 1255 CG ARG A 77 -7.047 9.118 9.608 1.00 44.53 C ATOM 1256 CD ARG A 77 -7.159 8.956 11.122 1.00 32.30 C ATOM 1257 NE ARG A 77 -7.710 10.151 11.774 1.00 52.01 N ATOM 1258 CZ ARG A 77 -8.719 10.139 12.609 1.00 62.40 C ATOM 1259 NH1 ARG A 77 -9.347 9.038 12.866 1.00 63.55 N ATOM 1260 NH2 ARG A 77 -9.108 11.237 13.174 1.00 4.02 N ATOM 0 H ARG A 77 -6.814 8.352 6.702 1.00 32.40 H new ATOM 0 HA ARG A 77 -9.383 9.722 7.081 1.00 61.02 H new ATOM 0 HB2 ARG A 77 -8.922 10.147 9.436 1.00 41.44 H new ATOM 0 HB3 ARG A 77 -9.024 8.421 9.152 1.00 41.44 H new ATOM 0 HG2 ARG A 77 -6.560 8.241 9.183 1.00 44.53 H new ATOM 0 HG3 ARG A 77 -6.415 9.976 9.379 1.00 44.53 H new ATOM 0 HD2 ARG A 77 -7.793 8.098 11.347 1.00 32.30 H new ATOM 0 HD3 ARG A 77 -6.174 8.742 11.536 1.00 32.30 H new ATOM 0 HE ARG A 77 -7.278 11.050 11.562 1.00 52.01 H new ATOM 0 HH11 ARG A 77 -9.058 8.169 12.417 1.00 63.55 H new ATOM 0 HH12 ARG A 77 -10.132 9.039 13.518 1.00 63.55 H new ATOM 0 HH21 ARG A 77 -8.628 12.114 12.969 1.00 4.02 H new ATOM 0 HH22 ARG A 77 -9.894 11.225 13.824 1.00 4.02 H new