USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 531 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -151:sc= -1.51 (180deg=-2.3) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.0927 K(o=-0.093,f=-1.3) USER MOD Single : A 34 MET CE :methyl -162:sc= -0.0555 (180deg=-0.442) USER MOD Single : A 42 ASN : amide:sc= 0.00174 X(o=0.0017,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 80:sc= 1.13 USER MOD Single : A 51 GLN : amide:sc= -1.16 K(o=-1.2,f=-5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.9) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.879 -1.314 -0.882 1.00 53.34 N ATOM 19 CA LYS A 2 5.171 -1.900 -0.549 1.00 21.24 C ATOM 20 C LYS A 2 5.658 -2.817 -1.666 1.00 54.05 C ATOM 21 O LYS A 2 6.420 -3.753 -1.426 1.00 62.25 O ATOM 22 CB LYS A 2 5.075 -2.684 0.763 1.00 45.34 C ATOM 23 CG LYS A 2 4.043 -3.797 0.732 1.00 72.01 C ATOM 24 CD LYS A 2 3.935 -4.495 2.078 1.00 54.55 C ATOM 25 CE LYS A 2 3.505 -5.945 1.920 1.00 21.25 C ATOM 26 NZ LYS A 2 2.530 -6.352 2.970 1.00 4.23 N ATOM 0 HA LYS A 2 5.889 -1.089 -0.430 1.00 21.24 H new ATOM 0 HB2 LYS A 2 6.051 -3.111 0.993 1.00 45.34 H new ATOM 0 HB3 LYS A 2 4.830 -1.995 1.571 1.00 45.34 H new ATOM 0 HG2 LYS A 2 3.072 -3.386 0.455 1.00 72.01 H new ATOM 0 HG3 LYS A 2 4.313 -4.523 -0.035 1.00 72.01 H new ATOM 0 HD2 LYS A 2 4.897 -4.453 2.589 1.00 54.55 H new ATOM 0 HD3 LYS A 2 3.217 -3.968 2.706 1.00 54.55 H new ATOM 0 HE2 LYS A 2 3.059 -6.086 0.936 1.00 21.25 H new ATOM 0 HE3 LYS A 2 4.382 -6.591 1.968 1.00 21.25 H new ATOM 0 HZ1 LYS A 2 2.262 -7.347 2.828 1.00 4.23 H new ATOM 0 HZ2 LYS A 2 2.964 -6.241 3.909 1.00 4.23 H new ATOM 0 HZ3 LYS A 2 1.682 -5.752 2.908 1.00 4.23 H new ATOM 40 N ARG A 3 5.213 -2.541 -2.888 1.00 11.50 N ATOM 41 CA ARG A 3 5.604 -3.341 -4.042 1.00 55.55 C ATOM 42 C ARG A 3 5.801 -2.460 -5.273 1.00 0.44 C ATOM 43 O ARG A 3 5.337 -1.320 -5.314 1.00 3.21 O ATOM 44 CB ARG A 3 4.547 -4.408 -4.331 1.00 33.30 C ATOM 45 CG ARG A 3 3.279 -3.856 -4.961 1.00 52.32 C ATOM 46 CD ARG A 3 2.044 -4.253 -4.168 1.00 74.34 C ATOM 47 NE ARG A 3 1.769 -3.321 -3.079 1.00 1.35 N ATOM 48 CZ ARG A 3 0.824 -3.515 -2.166 1.00 14.22 C ATOM 49 NH1 ARG A 3 0.067 -4.602 -2.212 1.00 35.23 N ATOM 50 NH2 ARG A 3 0.634 -2.620 -1.204 1.00 63.13 N ATOM 0 H ARG A 3 4.582 -1.770 -3.104 1.00 11.50 H new ATOM 0 HA ARG A 3 6.550 -3.829 -3.810 1.00 55.55 H new ATOM 0 HB2 ARG A 3 4.974 -5.160 -4.994 1.00 33.30 H new ATOM 0 HB3 ARG A 3 4.290 -4.913 -3.400 1.00 33.30 H new ATOM 0 HG2 ARG A 3 3.343 -2.769 -5.017 1.00 52.32 H new ATOM 0 HG3 ARG A 3 3.190 -4.223 -5.983 1.00 52.32 H new ATOM 0 HD2 ARG A 3 1.183 -4.295 -4.835 1.00 74.34 H new ATOM 0 HD3 ARG A 3 2.181 -5.255 -3.761 1.00 74.34 H new ATOM 0 HE ARG A 3 2.334 -2.474 -3.016 1.00 1.35 H new ATOM 0 HH11 ARG A 3 0.209 -5.292 -2.950 1.00 35.23 H new ATOM 0 HH12 ARG A 3 -0.658 -4.749 -1.510 1.00 35.23 H new ATOM 0 HH21 ARG A 3 1.214 -1.782 -1.165 1.00 63.13 H new ATOM 0 HH22 ARG A 3 -0.092 -2.770 -0.504 1.00 63.13 H new ATOM 64 N PHE A 4 6.493 -2.995 -6.273 1.00 33.42 N ATOM 65 CA PHE A 4 6.753 -2.258 -7.504 1.00 1.14 C ATOM 66 C PHE A 4 6.483 -3.129 -8.727 1.00 53.31 C ATOM 67 O PHE A 4 7.136 -4.152 -8.931 1.00 22.14 O ATOM 68 CB PHE A 4 8.200 -1.759 -7.528 1.00 75.30 C ATOM 69 CG PHE A 4 8.329 -0.313 -7.911 1.00 55.32 C ATOM 70 CD1 PHE A 4 7.607 0.662 -7.241 1.00 51.11 C ATOM 71 CD2 PHE A 4 9.172 0.072 -8.941 1.00 13.41 C ATOM 72 CE1 PHE A 4 7.723 1.994 -7.592 1.00 62.32 C ATOM 73 CE2 PHE A 4 9.292 1.403 -9.296 1.00 65.33 C ATOM 74 CZ PHE A 4 8.568 2.365 -8.620 1.00 71.32 C ATOM 0 H PHE A 4 6.884 -3.937 -6.255 1.00 33.42 H new ATOM 0 HA PHE A 4 6.080 -1.401 -7.535 1.00 1.14 H new ATOM 0 HB2 PHE A 4 8.643 -1.907 -6.543 1.00 75.30 H new ATOM 0 HB3 PHE A 4 8.773 -2.365 -8.230 1.00 75.30 H new ATOM 0 HD1 PHE A 4 6.946 0.378 -6.435 1.00 51.11 H new ATOM 0 HD2 PHE A 4 9.742 -0.676 -9.473 1.00 13.41 H new ATOM 0 HE1 PHE A 4 7.154 2.744 -7.063 1.00 62.32 H new ATOM 0 HE2 PHE A 4 9.952 1.690 -10.102 1.00 65.33 H new ATOM 0 HZ PHE A 4 8.662 3.405 -8.894 1.00 71.32 H new ATOM 84 N ASP A 5 5.515 -2.715 -9.538 1.00 21.02 N ATOM 85 CA ASP A 5 5.157 -3.456 -10.742 1.00 24.02 C ATOM 86 C ASP A 5 6.067 -3.074 -11.905 1.00 65.51 C ATOM 87 O ASP A 5 5.756 -2.169 -12.680 1.00 3.34 O ATOM 88 CB ASP A 5 3.697 -3.193 -11.113 1.00 61.41 C ATOM 89 CG ASP A 5 2.828 -4.425 -10.949 1.00 53.44 C ATOM 90 OD1 ASP A 5 3.211 -5.495 -11.466 1.00 61.12 O ATOM 91 OD2 ASP A 5 1.764 -4.318 -10.304 1.00 4.14 O ATOM 0 H ASP A 5 4.964 -1.870 -9.383 1.00 21.02 H new ATOM 0 HA ASP A 5 5.286 -4.519 -10.537 1.00 24.02 H new ATOM 0 HB2 ASP A 5 3.305 -2.390 -10.489 1.00 61.41 H new ATOM 0 HB3 ASP A 5 3.644 -2.849 -12.146 1.00 61.41 H new ATOM 96 N LEU A 6 7.193 -3.770 -12.022 1.00 22.05 N ATOM 97 CA LEU A 6 8.150 -3.504 -13.090 1.00 41.20 C ATOM 98 C LEU A 6 7.702 -4.152 -14.396 1.00 61.01 C ATOM 99 O LEU A 6 8.330 -3.968 -15.439 1.00 55.42 O ATOM 100 CB LEU A 6 9.536 -4.020 -12.700 1.00 63.14 C ATOM 101 CG LEU A 6 10.391 -3.076 -11.854 1.00 52.31 C ATOM 102 CD1 LEU A 6 10.343 -1.664 -12.417 1.00 13.33 C ATOM 103 CD2 LEU A 6 9.926 -3.091 -10.405 1.00 43.40 C ATOM 0 H LEU A 6 7.465 -4.523 -11.390 1.00 22.05 H new ATOM 0 HA LEU A 6 8.200 -2.425 -13.240 1.00 41.20 H new ATOM 0 HB2 LEU A 6 9.413 -4.955 -12.153 1.00 63.14 H new ATOM 0 HB3 LEU A 6 10.084 -4.255 -13.612 1.00 63.14 H new ATOM 0 HG LEU A 6 11.424 -3.423 -11.887 1.00 52.31 H new ATOM 0 HD11 LEU A 6 10.957 -1.006 -11.802 1.00 13.33 H new ATOM 0 HD12 LEU A 6 10.724 -1.666 -13.438 1.00 13.33 H new ATOM 0 HD13 LEU A 6 9.313 -1.306 -12.415 1.00 13.33 H new ATOM 0 HD21 LEU A 6 10.545 -2.414 -9.817 1.00 43.40 H new ATOM 0 HD22 LEU A 6 8.886 -2.769 -10.353 1.00 43.40 H new ATOM 0 HD23 LEU A 6 10.013 -4.101 -10.005 1.00 43.40 H new ATOM 115 N ARG A 7 6.612 -4.910 -14.331 1.00 43.23 N ATOM 116 CA ARG A 7 6.080 -5.584 -15.509 1.00 34.31 C ATOM 117 C ARG A 7 5.935 -4.610 -16.675 1.00 23.44 C ATOM 118 O ARG A 7 6.583 -4.746 -17.713 1.00 74.40 O ATOM 119 CB ARG A 7 4.725 -6.219 -15.190 1.00 72.21 C ATOM 120 CG ARG A 7 4.783 -7.729 -15.029 1.00 73.50 C ATOM 121 CD ARG A 7 3.904 -8.201 -13.881 1.00 61.40 C ATOM 122 NE ARG A 7 2.709 -8.893 -14.355 1.00 74.24 N ATOM 123 CZ ARG A 7 1.601 -8.268 -14.739 1.00 1.12 C ATOM 124 NH1 ARG A 7 1.538 -6.944 -14.704 1.00 74.03 N ATOM 125 NH2 ARG A 7 0.554 -8.967 -15.158 1.00 63.13 N ATOM 0 H ARG A 7 6.081 -5.073 -13.476 1.00 43.23 H new ATOM 0 HA ARG A 7 6.782 -6.366 -15.797 1.00 34.31 H new ATOM 0 HB2 ARG A 7 4.334 -5.779 -14.273 1.00 72.21 H new ATOM 0 HB3 ARG A 7 4.022 -5.974 -15.986 1.00 72.21 H new ATOM 0 HG2 ARG A 7 4.462 -8.207 -15.955 1.00 73.50 H new ATOM 0 HG3 ARG A 7 5.813 -8.038 -14.851 1.00 73.50 H new ATOM 0 HD2 ARG A 7 4.477 -8.867 -13.236 1.00 61.40 H new ATOM 0 HD3 ARG A 7 3.610 -7.345 -13.274 1.00 61.40 H new ATOM 0 HE ARG A 7 2.726 -9.912 -14.394 1.00 74.24 H new ATOM 0 HH11 ARG A 7 2.341 -6.404 -14.382 1.00 74.03 H new ATOM 0 HH12 ARG A 7 0.687 -6.466 -14.999 1.00 74.03 H new ATOM 0 HH21 ARG A 7 0.599 -9.986 -15.186 1.00 63.13 H new ATOM 0 HH22 ARG A 7 -0.296 -8.486 -15.452 1.00 63.13 H new ATOM 139 N PRO A 8 5.066 -3.604 -16.501 1.00 12.00 N ATOM 140 CA PRO A 8 4.816 -2.588 -17.527 1.00 51.35 C ATOM 141 C PRO A 8 6.007 -1.655 -17.722 1.00 73.42 C ATOM 142 O PRO A 8 6.000 -0.800 -18.609 1.00 24.24 O ATOM 143 CB PRO A 8 3.616 -1.814 -16.976 1.00 73.11 C ATOM 144 CG PRO A 8 3.687 -2.006 -15.500 1.00 74.35 C ATOM 145 CD PRO A 8 4.260 -3.380 -15.289 1.00 30.31 C ATOM 0 HA PRO A 8 4.640 -3.033 -18.506 1.00 51.35 H new ATOM 0 HB2 PRO A 8 3.670 -0.758 -17.241 1.00 73.11 H new ATOM 0 HB3 PRO A 8 2.679 -2.196 -17.380 1.00 73.11 H new ATOM 0 HG2 PRO A 8 4.316 -1.245 -15.037 1.00 74.35 H new ATOM 0 HG3 PRO A 8 2.699 -1.921 -15.047 1.00 74.35 H new ATOM 0 HD2 PRO A 8 4.870 -3.427 -14.387 1.00 30.31 H new ATOM 0 HD3 PRO A 8 3.476 -4.130 -15.183 1.00 30.31 H new ATOM 153 N LEU A 9 7.028 -1.826 -16.889 1.00 54.44 N ATOM 154 CA LEU A 9 8.227 -0.999 -16.970 1.00 61.14 C ATOM 155 C LEU A 9 9.259 -1.627 -17.902 1.00 21.04 C ATOM 156 O LEU A 9 10.451 -1.333 -17.814 1.00 4.34 O ATOM 157 CB LEU A 9 8.831 -0.804 -15.579 1.00 31.35 C ATOM 158 CG LEU A 9 8.662 0.585 -14.962 1.00 65.03 C ATOM 159 CD1 LEU A 9 7.605 0.559 -13.869 1.00 44.53 C ATOM 160 CD2 LEU A 9 9.989 1.089 -14.412 1.00 71.23 C ATOM 0 H LEU A 9 7.050 -2.529 -16.150 1.00 54.44 H new ATOM 0 HA LEU A 9 7.942 -0.028 -17.375 1.00 61.14 H new ATOM 0 HB2 LEU A 9 8.385 -1.535 -14.905 1.00 31.35 H new ATOM 0 HB3 LEU A 9 9.896 -1.028 -15.633 1.00 31.35 H new ATOM 0 HG LEU A 9 8.331 1.270 -15.742 1.00 65.03 H new ATOM 0 HD11 LEU A 9 7.499 1.556 -13.442 1.00 44.53 H new ATOM 0 HD12 LEU A 9 6.652 0.242 -14.292 1.00 44.53 H new ATOM 0 HD13 LEU A 9 7.906 -0.140 -13.089 1.00 44.53 H new ATOM 0 HD21 LEU A 9 9.850 2.079 -13.977 1.00 71.23 H new ATOM 0 HD22 LEU A 9 10.349 0.403 -13.646 1.00 71.23 H new ATOM 0 HD23 LEU A 9 10.719 1.147 -15.219 1.00 71.23 H new ATOM 172 N LYS A 10 8.793 -2.492 -18.796 1.00 32.44 N ATOM 173 CA LYS A 10 9.674 -3.160 -19.747 1.00 34.14 C ATOM 174 C LYS A 10 10.961 -3.617 -19.068 1.00 11.11 C ATOM 175 O LYS A 10 11.035 -3.691 -17.842 1.00 14.13 O ATOM 176 CB LYS A 10 10.003 -2.224 -20.912 1.00 22.23 C ATOM 177 CG LYS A 10 10.957 -1.102 -20.540 1.00 22.43 C ATOM 178 CD LYS A 10 11.433 -0.345 -21.768 1.00 10.32 C ATOM 179 CE LYS A 10 10.621 0.922 -21.990 1.00 40.05 C ATOM 180 NZ LYS A 10 9.558 0.727 -23.015 1.00 30.42 N ATOM 0 H LYS A 10 7.809 -2.747 -18.882 1.00 32.44 H new ATOM 0 HA LYS A 10 9.155 -4.039 -20.130 1.00 34.14 H new ATOM 0 HB2 LYS A 10 10.439 -2.807 -21.723 1.00 22.23 H new ATOM 0 HB3 LYS A 10 9.078 -1.792 -21.292 1.00 22.23 H new ATOM 0 HG2 LYS A 10 10.461 -0.413 -19.856 1.00 22.43 H new ATOM 0 HG3 LYS A 10 11.816 -1.514 -20.010 1.00 22.43 H new ATOM 0 HD2 LYS A 10 12.486 -0.088 -21.653 1.00 10.32 H new ATOM 0 HD3 LYS A 10 11.355 -0.987 -22.645 1.00 10.32 H new ATOM 0 HE2 LYS A 10 10.166 1.231 -21.049 1.00 40.05 H new ATOM 0 HE3 LYS A 10 11.284 1.728 -22.303 1.00 40.05 H new ATOM 0 HZ1 LYS A 10 9.027 1.613 -23.137 1.00 30.42 H new ATOM 0 HZ2 LYS A 10 9.994 0.457 -23.920 1.00 30.42 H new ATOM 0 HZ3 LYS A 10 8.910 -0.025 -22.704 1.00 30.42 H new ATOM 194 N ALA A 11 11.973 -3.921 -19.873 1.00 45.22 N ATOM 195 CA ALA A 11 13.259 -4.367 -19.350 1.00 13.43 C ATOM 196 C ALA A 11 14.347 -3.330 -19.609 1.00 14.00 C ATOM 197 O ALA A 11 14.267 -2.558 -20.564 1.00 25.41 O ATOM 198 CB ALA A 11 13.644 -5.704 -19.965 1.00 11.11 C ATOM 0 H ALA A 11 11.928 -3.867 -20.891 1.00 45.22 H new ATOM 0 HA ALA A 11 13.161 -4.491 -18.271 1.00 13.43 H new ATOM 0 HB1 ALA A 11 14.606 -6.025 -19.565 1.00 11.11 H new ATOM 0 HB2 ALA A 11 12.885 -6.448 -19.723 1.00 11.11 H new ATOM 0 HB3 ALA A 11 13.718 -5.599 -21.047 1.00 11.11 H new ATOM 204 N GLY A 12 15.362 -3.317 -18.751 1.00 64.41 N ATOM 205 CA GLY A 12 16.451 -2.370 -18.905 1.00 23.44 C ATOM 206 C GLY A 12 16.332 -1.191 -17.960 1.00 35.11 C ATOM 207 O GLY A 12 17.304 -0.807 -17.310 1.00 43.32 O ATOM 0 H GLY A 12 15.450 -3.945 -17.952 1.00 64.41 H new ATOM 0 HA2 GLY A 12 17.399 -2.879 -18.729 1.00 23.44 H new ATOM 0 HA3 GLY A 12 16.470 -2.007 -19.933 1.00 23.44 H new ATOM 211 N ILE A 13 15.137 -0.615 -17.884 1.00 52.43 N ATOM 212 CA ILE A 13 14.894 0.528 -17.013 1.00 4.23 C ATOM 213 C ILE A 13 14.234 0.094 -15.708 1.00 52.55 C ATOM 214 O ILE A 13 14.261 0.821 -14.715 1.00 23.44 O ATOM 215 CB ILE A 13 14.005 1.582 -17.700 1.00 24.33 C ATOM 216 CG1 ILE A 13 14.351 1.681 -19.187 1.00 4.12 C ATOM 217 CG2 ILE A 13 14.166 2.934 -17.021 1.00 61.13 C ATOM 218 CD1 ILE A 13 13.555 2.735 -19.923 1.00 51.23 C ATOM 0 H ILE A 13 14.322 -0.921 -18.415 1.00 52.43 H new ATOM 0 HA ILE A 13 15.866 0.971 -16.796 1.00 4.23 H new ATOM 0 HB ILE A 13 12.964 1.274 -17.609 1.00 24.33 H new ATOM 0 HG12 ILE A 13 15.413 1.901 -19.291 1.00 4.12 H new ATOM 0 HG13 ILE A 13 14.179 0.713 -19.657 1.00 4.12 H new ATOM 0 HG21 ILE A 13 13.532 3.668 -17.518 1.00 61.13 H new ATOM 0 HG22 ILE A 13 13.875 2.852 -15.974 1.00 61.13 H new ATOM 0 HG23 ILE A 13 15.207 3.251 -17.085 1.00 61.13 H new ATOM 0 HD11 ILE A 13 13.852 2.749 -20.972 1.00 51.23 H new ATOM 0 HD12 ILE A 13 12.492 2.505 -19.850 1.00 51.23 H new ATOM 0 HD13 ILE A 13 13.746 3.712 -19.478 1.00 51.23 H new ATOM 230 N PHE A 14 13.642 -1.095 -15.719 1.00 34.14 N ATOM 231 CA PHE A 14 12.974 -1.627 -14.536 1.00 63.01 C ATOM 232 C PHE A 14 13.966 -1.819 -13.392 1.00 52.12 C ATOM 233 O PHE A 14 13.609 -1.695 -12.221 1.00 51.12 O ATOM 234 CB PHE A 14 12.293 -2.957 -14.864 1.00 30.30 C ATOM 235 CG PHE A 14 13.231 -4.131 -14.850 1.00 14.44 C ATOM 236 CD1 PHE A 14 14.296 -4.193 -15.733 1.00 24.44 C ATOM 237 CD2 PHE A 14 13.046 -5.171 -13.953 1.00 53.03 C ATOM 238 CE1 PHE A 14 15.161 -5.271 -15.722 1.00 24.52 C ATOM 239 CE2 PHE A 14 13.908 -6.251 -13.938 1.00 34.34 C ATOM 240 CZ PHE A 14 14.966 -6.302 -14.824 1.00 31.23 C ATOM 0 H PHE A 14 13.611 -1.709 -16.533 1.00 34.14 H new ATOM 0 HA PHE A 14 12.218 -0.908 -14.221 1.00 63.01 H new ATOM 0 HB2 PHE A 14 11.493 -3.133 -14.145 1.00 30.30 H new ATOM 0 HB3 PHE A 14 11.828 -2.885 -15.847 1.00 30.30 H new ATOM 0 HD1 PHE A 14 14.452 -3.390 -16.438 1.00 24.44 H new ATOM 0 HD2 PHE A 14 12.220 -5.137 -13.258 1.00 53.03 H new ATOM 0 HE1 PHE A 14 15.989 -5.307 -16.415 1.00 24.52 H new ATOM 0 HE2 PHE A 14 13.754 -7.055 -13.233 1.00 34.34 H new ATOM 0 HZ PHE A 14 15.639 -7.146 -14.815 1.00 31.23 H new ATOM 250 N GLU A 15 15.212 -2.123 -13.742 1.00 11.43 N ATOM 251 CA GLU A 15 16.255 -2.333 -12.744 1.00 75.13 C ATOM 252 C GLU A 15 16.803 -1.001 -12.242 1.00 4.14 C ATOM 253 O GLU A 15 17.486 -0.945 -11.218 1.00 74.12 O ATOM 254 CB GLU A 15 17.389 -3.176 -13.330 1.00 61.12 C ATOM 255 CG GLU A 15 18.568 -3.349 -12.388 1.00 4.23 C ATOM 256 CD GLU A 15 19.775 -2.533 -12.808 1.00 44.10 C ATOM 257 OE1 GLU A 15 20.499 -2.972 -13.726 1.00 73.12 O ATOM 258 OE2 GLU A 15 19.996 -1.454 -12.218 1.00 62.31 O ATOM 0 H GLU A 15 15.524 -2.229 -14.707 1.00 11.43 H new ATOM 0 HA GLU A 15 15.815 -2.865 -11.901 1.00 75.13 H new ATOM 0 HB2 GLU A 15 17.000 -4.159 -13.596 1.00 61.12 H new ATOM 0 HB3 GLU A 15 17.737 -2.711 -14.252 1.00 61.12 H new ATOM 0 HG2 GLU A 15 18.270 -3.057 -11.381 1.00 4.23 H new ATOM 0 HG3 GLU A 15 18.843 -4.403 -12.346 1.00 4.23 H new ATOM 265 N ARG A 16 16.501 0.069 -12.969 1.00 40.32 N ATOM 266 CA ARG A 16 16.965 1.401 -12.599 1.00 20.11 C ATOM 267 C ARG A 16 15.932 2.115 -11.733 1.00 12.43 C ATOM 268 O ARG A 16 16.282 2.889 -10.840 1.00 70.23 O ATOM 269 CB ARG A 16 17.257 2.229 -13.852 1.00 14.25 C ATOM 270 CG ARG A 16 18.722 2.230 -14.254 1.00 24.12 C ATOM 271 CD ARG A 16 18.887 2.087 -15.759 1.00 1.03 C ATOM 272 NE ARG A 16 19.749 3.126 -16.316 1.00 52.11 N ATOM 273 CZ ARG A 16 19.381 4.396 -16.442 1.00 3.55 C ATOM 274 NH1 ARG A 16 18.175 4.783 -16.051 1.00 34.43 N ATOM 275 NH2 ARG A 16 20.222 5.284 -16.958 1.00 72.43 N ATOM 0 H ARG A 16 15.937 0.040 -13.818 1.00 40.32 H new ATOM 0 HA ARG A 16 17.884 1.292 -12.022 1.00 20.11 H new ATOM 0 HB2 ARG A 16 16.662 1.842 -14.679 1.00 14.25 H new ATOM 0 HB3 ARG A 16 16.935 3.256 -13.681 1.00 14.25 H new ATOM 0 HG2 ARG A 16 19.191 3.156 -13.922 1.00 24.12 H new ATOM 0 HG3 ARG A 16 19.239 1.413 -13.751 1.00 24.12 H new ATOM 0 HD2 ARG A 16 19.307 1.107 -15.986 1.00 1.03 H new ATOM 0 HD3 ARG A 16 17.908 2.133 -16.237 1.00 1.03 H new ATOM 0 HE ARG A 16 20.685 2.862 -16.625 1.00 52.11 H new ATOM 0 HH11 ARG A 16 17.526 4.105 -15.652 1.00 34.43 H new ATOM 0 HH12 ARG A 16 17.896 5.759 -16.149 1.00 34.43 H new ATOM 0 HH21 ARG A 16 21.152 4.991 -17.258 1.00 72.43 H new ATOM 0 HH22 ARG A 16 19.938 6.259 -17.054 1.00 72.43 H new ATOM 289 N LEU A 17 14.658 1.852 -12.002 1.00 71.20 N ATOM 290 CA LEU A 17 13.573 2.470 -11.248 1.00 32.32 C ATOM 291 C LEU A 17 13.425 1.821 -9.875 1.00 60.34 C ATOM 292 O LEU A 17 12.999 2.464 -8.917 1.00 53.12 O ATOM 293 CB LEU A 17 12.258 2.357 -12.022 1.00 64.22 C ATOM 294 CG LEU A 17 11.633 3.675 -12.478 1.00 15.41 C ATOM 295 CD1 LEU A 17 11.405 4.597 -11.290 1.00 3.21 C ATOM 296 CD2 LEU A 17 12.512 4.352 -13.519 1.00 64.53 C ATOM 0 H LEU A 17 14.351 1.215 -12.737 1.00 71.20 H new ATOM 0 HA LEU A 17 13.816 3.523 -11.108 1.00 32.32 H new ATOM 0 HB2 LEU A 17 12.429 1.736 -12.901 1.00 64.22 H new ATOM 0 HB3 LEU A 17 11.535 1.832 -11.397 1.00 64.22 H new ATOM 0 HG LEU A 17 10.667 3.457 -12.934 1.00 15.41 H new ATOM 0 HD11 LEU A 17 10.959 5.530 -11.634 1.00 3.21 H new ATOM 0 HD12 LEU A 17 10.734 4.115 -10.579 1.00 3.21 H new ATOM 0 HD13 LEU A 17 12.358 4.807 -10.804 1.00 3.21 H new ATOM 0 HD21 LEU A 17 12.050 5.289 -13.831 1.00 64.53 H new ATOM 0 HD22 LEU A 17 13.493 4.556 -13.090 1.00 64.53 H new ATOM 0 HD23 LEU A 17 12.623 3.697 -14.383 1.00 64.53 H new ATOM 308 N GLU A 18 13.782 0.543 -9.789 1.00 5.10 N ATOM 309 CA GLU A 18 13.691 -0.192 -8.533 1.00 15.21 C ATOM 310 C GLU A 18 14.463 0.522 -7.427 1.00 60.12 C ATOM 311 O GLU A 18 14.132 0.401 -6.248 1.00 50.42 O ATOM 312 CB GLU A 18 14.226 -1.614 -8.708 1.00 65.22 C ATOM 313 CG GLU A 18 13.245 -2.692 -8.279 1.00 11.31 C ATOM 314 CD GLU A 18 13.169 -3.839 -9.268 1.00 11.05 C ATOM 315 OE1 GLU A 18 13.214 -3.574 -10.487 1.00 74.13 O ATOM 316 OE2 GLU A 18 13.064 -5.001 -8.822 1.00 45.22 O ATOM 0 H GLU A 18 14.137 -0.004 -10.574 1.00 5.10 H new ATOM 0 HA GLU A 18 12.641 -0.240 -8.246 1.00 15.21 H new ATOM 0 HB2 GLU A 18 14.487 -1.768 -9.755 1.00 65.22 H new ATOM 0 HB3 GLU A 18 15.145 -1.721 -8.131 1.00 65.22 H new ATOM 0 HG2 GLU A 18 13.539 -3.078 -7.303 1.00 11.31 H new ATOM 0 HG3 GLU A 18 12.255 -2.251 -8.163 1.00 11.31 H new ATOM 323 N GLU A 19 15.494 1.264 -7.818 1.00 41.41 N ATOM 324 CA GLU A 19 16.314 1.996 -6.860 1.00 5.00 C ATOM 325 C GLU A 19 15.625 3.287 -6.427 1.00 60.14 C ATOM 326 O GLU A 19 15.875 3.803 -5.337 1.00 63.41 O ATOM 327 CB GLU A 19 17.683 2.314 -7.465 1.00 44.11 C ATOM 328 CG GLU A 19 18.506 3.285 -6.634 1.00 34.31 C ATOM 329 CD GLU A 19 18.518 4.685 -7.215 1.00 40.21 C ATOM 330 OE1 GLU A 19 17.460 5.347 -7.192 1.00 13.32 O ATOM 331 OE2 GLU A 19 19.587 5.119 -7.693 1.00 63.12 O ATOM 0 H GLU A 19 15.781 1.374 -8.791 1.00 41.41 H new ATOM 0 HA GLU A 19 16.450 1.365 -5.981 1.00 5.00 H new ATOM 0 HB2 GLU A 19 18.243 1.386 -7.584 1.00 44.11 H new ATOM 0 HB3 GLU A 19 17.542 2.731 -8.462 1.00 44.11 H new ATOM 0 HG2 GLU A 19 18.106 3.320 -5.621 1.00 34.31 H new ATOM 0 HG3 GLU A 19 19.530 2.917 -6.560 1.00 34.31 H new ATOM 338 N LEU A 20 14.756 3.804 -7.289 1.00 64.12 N ATOM 339 CA LEU A 20 14.030 5.035 -6.998 1.00 1.12 C ATOM 340 C LEU A 20 12.951 4.795 -5.947 1.00 2.14 C ATOM 341 O LEU A 20 12.621 5.689 -5.167 1.00 53.21 O ATOM 342 CB LEU A 20 13.399 5.593 -8.275 1.00 30.42 C ATOM 343 CG LEU A 20 14.016 6.880 -8.822 1.00 4.11 C ATOM 344 CD1 LEU A 20 15.028 6.565 -9.913 1.00 54.43 C ATOM 345 CD2 LEU A 20 12.933 7.809 -9.348 1.00 54.54 C ATOM 0 H LEU A 20 14.537 3.390 -8.195 1.00 64.12 H new ATOM 0 HA LEU A 20 14.740 5.762 -6.604 1.00 1.12 H new ATOM 0 HB2 LEU A 20 13.458 4.828 -9.049 1.00 30.42 H new ATOM 0 HB3 LEU A 20 12.341 5.773 -8.085 1.00 30.42 H new ATOM 0 HG LEU A 20 14.536 7.386 -8.008 1.00 4.11 H new ATOM 0 HD11 LEU A 20 15.457 7.493 -10.291 1.00 54.43 H new ATOM 0 HD12 LEU A 20 15.821 5.939 -9.504 1.00 54.43 H new ATOM 0 HD13 LEU A 20 14.532 6.037 -10.727 1.00 54.43 H new ATOM 0 HD21 LEU A 20 13.391 8.720 -9.733 1.00 54.54 H new ATOM 0 HD22 LEU A 20 12.384 7.312 -10.148 1.00 54.54 H new ATOM 0 HD23 LEU A 20 12.246 8.062 -8.540 1.00 54.54 H new ATOM 357 N ILE A 21 12.408 3.583 -5.930 1.00 70.31 N ATOM 358 CA ILE A 21 11.369 3.225 -4.972 1.00 62.43 C ATOM 359 C ILE A 21 11.975 2.699 -3.675 1.00 72.14 C ATOM 360 O ILE A 21 11.432 2.917 -2.593 1.00 0.12 O ATOM 361 CB ILE A 21 10.415 2.162 -5.548 1.00 71.40 C ATOM 362 CG1 ILE A 21 9.284 1.871 -4.559 1.00 61.12 C ATOM 363 CG2 ILE A 21 11.178 0.888 -5.878 1.00 22.53 C ATOM 364 CD1 ILE A 21 8.336 3.034 -4.366 1.00 25.01 C ATOM 0 H ILE A 21 12.670 2.832 -6.569 1.00 70.31 H new ATOM 0 HA ILE A 21 10.804 4.134 -4.764 1.00 62.43 H new ATOM 0 HB ILE A 21 9.977 2.549 -6.468 1.00 71.40 H new ATOM 0 HG12 ILE A 21 8.719 1.007 -4.909 1.00 61.12 H new ATOM 0 HG13 ILE A 21 9.716 1.601 -3.595 1.00 61.12 H new ATOM 0 HG21 ILE A 21 10.490 0.147 -6.284 1.00 22.53 H new ATOM 0 HG22 ILE A 21 11.951 1.107 -6.614 1.00 22.53 H new ATOM 0 HG23 ILE A 21 11.641 0.496 -4.972 1.00 22.53 H new ATOM 0 HD11 ILE A 21 7.560 2.756 -3.652 1.00 25.01 H new ATOM 0 HD12 ILE A 21 8.888 3.894 -3.986 1.00 25.01 H new ATOM 0 HD13 ILE A 21 7.876 3.291 -5.320 1.00 25.01 H new ATOM 376 N GLU A 22 13.104 2.007 -3.794 1.00 33.25 N ATOM 377 CA GLU A 22 13.784 1.451 -2.629 1.00 54.05 C ATOM 378 C GLU A 22 14.076 2.538 -1.600 1.00 1.44 C ATOM 379 O GLU A 22 14.190 2.264 -0.405 1.00 22.12 O ATOM 380 CB GLU A 22 15.086 0.768 -3.050 1.00 65.21 C ATOM 381 CG GLU A 22 15.263 -0.622 -2.461 1.00 54.24 C ATOM 382 CD GLU A 22 15.509 -1.678 -3.522 1.00 15.34 C ATOM 383 OE1 GLU A 22 16.115 -1.346 -4.561 1.00 44.50 O ATOM 384 OE2 GLU A 22 15.094 -2.837 -3.311 1.00 12.20 O ATOM 0 H GLU A 22 13.566 1.818 -4.683 1.00 33.25 H new ATOM 0 HA GLU A 22 13.125 0.712 -2.173 1.00 54.05 H new ATOM 0 HB2 GLU A 22 15.115 0.699 -4.137 1.00 65.21 H new ATOM 0 HB3 GLU A 22 15.928 1.391 -2.748 1.00 65.21 H new ATOM 0 HG2 GLU A 22 16.099 -0.613 -1.762 1.00 54.24 H new ATOM 0 HG3 GLU A 22 14.373 -0.887 -1.890 1.00 54.24 H new ATOM 391 N LYS A 23 14.197 3.775 -2.071 1.00 60.44 N ATOM 392 CA LYS A 23 14.476 4.905 -1.194 1.00 14.22 C ATOM 393 C LYS A 23 13.302 5.168 -0.255 1.00 70.35 C ATOM 394 O LYS A 23 13.492 5.570 0.892 1.00 54.13 O ATOM 395 CB LYS A 23 14.771 6.158 -2.021 1.00 2.52 C ATOM 396 CG LYS A 23 16.250 6.490 -2.116 1.00 25.33 C ATOM 397 CD LYS A 23 16.483 7.795 -2.857 1.00 42.51 C ATOM 398 CE LYS A 23 16.317 7.621 -4.359 1.00 21.01 C ATOM 399 NZ LYS A 23 15.033 8.197 -4.846 1.00 2.44 N ATOM 0 H LYS A 23 14.106 4.020 -3.057 1.00 60.44 H new ATOM 0 HA LYS A 23 15.351 4.659 -0.593 1.00 14.22 H new ATOM 0 HB2 LYS A 23 14.373 6.022 -3.026 1.00 2.52 H new ATOM 0 HB3 LYS A 23 14.245 7.005 -1.582 1.00 2.52 H new ATOM 0 HG2 LYS A 23 16.673 6.559 -1.114 1.00 25.33 H new ATOM 0 HG3 LYS A 23 16.773 5.682 -2.628 1.00 25.33 H new ATOM 0 HD2 LYS A 23 15.783 8.549 -2.497 1.00 42.51 H new ATOM 0 HD3 LYS A 23 17.486 8.163 -2.641 1.00 42.51 H new ATOM 0 HE2 LYS A 23 17.149 8.101 -4.874 1.00 21.01 H new ATOM 0 HE3 LYS A 23 16.357 6.561 -4.608 1.00 21.01 H new ATOM 0 HZ1 LYS A 23 14.958 8.058 -5.874 1.00 2.44 H new ATOM 0 HZ2 LYS A 23 14.238 7.722 -4.373 1.00 2.44 H new ATOM 0 HZ3 LYS A 23 15.005 9.214 -4.631 1.00 2.44 H new ATOM 413 N GLU A 24 12.090 4.936 -0.751 1.00 24.40 N ATOM 414 CA GLU A 24 10.887 5.147 0.045 1.00 60.11 C ATOM 415 C GLU A 24 10.705 4.026 1.064 1.00 72.41 C ATOM 416 O GLU A 24 10.386 4.275 2.226 1.00 20.21 O ATOM 417 CB GLU A 24 9.657 5.232 -0.862 1.00 24.42 C ATOM 418 CG GLU A 24 8.690 6.338 -0.474 1.00 63.42 C ATOM 419 CD GLU A 24 7.438 5.809 0.197 1.00 32.51 C ATOM 420 OE1 GLU A 24 6.559 5.284 -0.518 1.00 74.13 O ATOM 421 OE2 GLU A 24 7.336 5.919 1.437 1.00 44.13 O ATOM 0 H GLU A 24 11.916 4.602 -1.699 1.00 24.40 H new ATOM 0 HA GLU A 24 10.999 6.088 0.583 1.00 60.11 H new ATOM 0 HB2 GLU A 24 9.984 5.391 -1.890 1.00 24.42 H new ATOM 0 HB3 GLU A 24 9.132 4.277 -0.839 1.00 24.42 H new ATOM 0 HG2 GLU A 24 9.191 7.035 0.198 1.00 63.42 H new ATOM 0 HG3 GLU A 24 8.410 6.900 -1.365 1.00 63.42 H new ATOM 428 N MET A 25 10.909 2.790 0.618 1.00 2.34 N ATOM 429 CA MET A 25 10.768 1.631 1.491 1.00 23.42 C ATOM 430 C MET A 25 11.613 1.792 2.751 1.00 12.41 C ATOM 431 O MET A 25 12.718 2.331 2.702 1.00 23.13 O ATOM 432 CB MET A 25 11.176 0.355 0.750 1.00 14.54 C ATOM 433 CG MET A 25 10.359 0.095 -0.505 1.00 44.02 C ATOM 434 SD MET A 25 8.604 -0.128 -0.159 1.00 0.13 S ATOM 435 CE MET A 25 8.662 -1.455 1.043 1.00 10.20 C ATOM 0 H MET A 25 11.172 2.566 -0.342 1.00 2.34 H new ATOM 0 HA MET A 25 9.721 1.554 1.784 1.00 23.42 H new ATOM 0 HB2 MET A 25 12.230 0.422 0.480 1.00 14.54 H new ATOM 0 HB3 MET A 25 11.073 -0.496 1.424 1.00 14.54 H new ATOM 0 HG2 MET A 25 10.486 0.929 -1.195 1.00 44.02 H new ATOM 0 HG3 MET A 25 10.742 -0.794 -1.005 1.00 44.02 H new ATOM 0 HE1 MET A 25 7.747 -2.044 0.979 1.00 10.20 H new ATOM 0 HE2 MET A 25 9.521 -2.094 0.838 1.00 10.20 H new ATOM 0 HE3 MET A 25 8.753 -1.035 2.045 1.00 10.20 H new ATOM 445 N GLN A 26 11.084 1.323 3.877 1.00 43.42 N ATOM 446 CA GLN A 26 11.790 1.418 5.149 1.00 24.10 C ATOM 447 C GLN A 26 13.137 0.705 5.079 1.00 72.14 C ATOM 448 O GLN A 26 13.385 -0.120 4.199 1.00 53.12 O ATOM 449 CB GLN A 26 10.942 0.821 6.273 1.00 72.31 C ATOM 450 CG GLN A 26 10.346 1.863 7.205 1.00 10.31 C ATOM 451 CD GLN A 26 8.843 1.991 7.054 1.00 60.35 C ATOM 452 OE1 GLN A 26 8.352 2.566 6.082 1.00 10.41 O ATOM 453 NE2 GLN A 26 8.103 1.453 8.016 1.00 70.41 N ATOM 0 H GLN A 26 10.170 0.874 3.934 1.00 43.42 H new ATOM 0 HA GLN A 26 11.968 2.473 5.359 1.00 24.10 H new ATOM 0 HB2 GLN A 26 10.135 0.233 5.835 1.00 72.31 H new ATOM 0 HB3 GLN A 26 11.557 0.134 6.855 1.00 72.31 H new ATOM 0 HG2 GLN A 26 10.582 1.600 8.236 1.00 10.31 H new ATOM 0 HG3 GLN A 26 10.811 2.829 7.008 1.00 10.31 H new ATOM 0 HE21 GLN A 26 8.552 0.986 8.804 1.00 70.41 H new ATOM 0 HE22 GLN A 26 7.086 1.507 7.967 1.00 70.41 H new ATOM 462 N PRO A 27 14.029 1.029 6.027 1.00 73.15 N ATOM 463 CA PRO A 27 15.365 0.430 6.094 1.00 43.55 C ATOM 464 C PRO A 27 15.323 -1.039 6.498 1.00 72.23 C ATOM 465 O PRO A 27 16.350 -1.716 6.520 1.00 74.45 O ATOM 466 CB PRO A 27 16.072 1.260 7.168 1.00 0.42 C ATOM 467 CG PRO A 27 14.972 1.787 8.024 1.00 43.40 C ATOM 468 CD PRO A 27 13.801 2.004 7.106 1.00 30.13 C ATOM 0 HA PRO A 27 15.866 0.443 5.126 1.00 43.55 H new ATOM 0 HB2 PRO A 27 16.766 0.650 7.746 1.00 0.42 H new ATOM 0 HB3 PRO A 27 16.652 2.070 6.725 1.00 0.42 H new ATOM 0 HG2 PRO A 27 14.721 1.081 8.816 1.00 43.40 H new ATOM 0 HG3 PRO A 27 15.266 2.718 8.508 1.00 43.40 H new ATOM 0 HD2 PRO A 27 12.853 1.826 7.614 1.00 30.13 H new ATOM 0 HD3 PRO A 27 13.772 3.025 6.726 1.00 30.13 H new ATOM 476 N ASN A 28 14.128 -1.526 6.817 1.00 60.24 N ATOM 477 CA ASN A 28 13.952 -2.917 7.220 1.00 3.42 C ATOM 478 C ASN A 28 12.574 -3.430 6.816 1.00 72.43 C ATOM 479 O ASN A 28 11.947 -4.196 7.547 1.00 3.04 O ATOM 480 CB ASN A 28 14.138 -3.058 8.732 1.00 10.23 C ATOM 481 CG ASN A 28 14.914 -4.306 9.105 1.00 30.25 C ATOM 482 OD1 ASN A 28 15.061 -5.224 8.298 1.00 51.30 O ATOM 483 ND2 ASN A 28 15.415 -4.346 10.335 1.00 51.13 N ATOM 0 H ASN A 28 13.268 -0.978 6.804 1.00 60.24 H new ATOM 0 HA ASN A 28 14.707 -3.516 6.710 1.00 3.42 H new ATOM 0 HB2 ASN A 28 14.660 -2.181 9.114 1.00 10.23 H new ATOM 0 HB3 ASN A 28 13.161 -3.083 9.215 1.00 10.23 H new ATOM 0 HD21 ASN A 28 15.946 -5.161 10.643 1.00 51.13 H new ATOM 0 HD22 ASN A 28 15.269 -3.562 10.971 1.00 51.13 H new ATOM 490 N GLU A 29 12.109 -3.004 5.646 1.00 41.34 N ATOM 491 CA GLU A 29 10.805 -3.421 5.144 1.00 12.24 C ATOM 492 C GLU A 29 10.954 -4.320 3.921 1.00 64.42 C ATOM 493 O GLU A 29 12.026 -4.398 3.321 1.00 45.35 O ATOM 494 CB GLU A 29 9.955 -2.199 4.792 1.00 54.44 C ATOM 495 CG GLU A 29 8.817 -1.946 5.767 1.00 61.31 C ATOM 496 CD GLU A 29 7.629 -2.858 5.527 1.00 45.05 C ATOM 497 OE1 GLU A 29 7.498 -3.378 4.399 1.00 43.53 O ATOM 498 OE2 GLU A 29 6.831 -3.052 6.467 1.00 2.33 O ATOM 0 H GLU A 29 12.616 -2.370 5.028 1.00 41.34 H new ATOM 0 HA GLU A 29 10.306 -3.987 5.930 1.00 12.24 H new ATOM 0 HB2 GLU A 29 10.596 -1.318 4.759 1.00 54.44 H new ATOM 0 HB3 GLU A 29 9.542 -2.330 3.792 1.00 54.44 H new ATOM 0 HG2 GLU A 29 9.178 -2.087 6.786 1.00 61.31 H new ATOM 0 HG3 GLU A 29 8.496 -0.908 5.683 1.00 61.31 H new ATOM 505 N VAL A 30 9.871 -5.000 3.557 1.00 3.30 N ATOM 506 CA VAL A 30 9.881 -5.894 2.405 1.00 14.33 C ATOM 507 C VAL A 30 9.346 -5.193 1.161 1.00 34.25 C ATOM 508 O VAL A 30 8.410 -4.397 1.239 1.00 64.11 O ATOM 509 CB VAL A 30 9.042 -7.158 2.670 1.00 71.33 C ATOM 510 CG1 VAL A 30 8.168 -7.480 1.467 1.00 34.44 C ATOM 511 CG2 VAL A 30 9.945 -8.334 3.013 1.00 14.41 C ATOM 0 H VAL A 30 8.976 -4.949 4.043 1.00 3.30 H new ATOM 0 HA VAL A 30 10.918 -6.184 2.237 1.00 14.33 H new ATOM 0 HB VAL A 30 8.390 -6.969 3.523 1.00 71.33 H new ATOM 0 HG11 VAL A 30 7.582 -8.376 1.672 1.00 34.44 H new ATOM 0 HG12 VAL A 30 7.496 -6.644 1.271 1.00 34.44 H new ATOM 0 HG13 VAL A 30 8.799 -7.651 0.594 1.00 34.44 H new ATOM 0 HG21 VAL A 30 9.336 -9.219 3.197 1.00 14.41 H new ATOM 0 HG22 VAL A 30 10.623 -8.527 2.181 1.00 14.41 H new ATOM 0 HG23 VAL A 30 10.524 -8.100 3.906 1.00 14.41 H new ATOM 521 N ALA A 31 9.945 -5.496 0.015 1.00 43.43 N ATOM 522 CA ALA A 31 9.528 -4.897 -1.247 1.00 15.01 C ATOM 523 C ALA A 31 9.387 -5.955 -2.336 1.00 54.44 C ATOM 524 O ALA A 31 10.353 -6.635 -2.682 1.00 73.23 O ATOM 525 CB ALA A 31 10.517 -3.824 -1.675 1.00 45.13 C ATOM 0 H ALA A 31 10.721 -6.153 -0.066 1.00 43.43 H new ATOM 0 HA ALA A 31 8.552 -4.435 -1.097 1.00 15.01 H new ATOM 0 HB1 ALA A 31 10.193 -3.386 -2.619 1.00 45.13 H new ATOM 0 HB2 ALA A 31 10.564 -3.047 -0.912 1.00 45.13 H new ATOM 0 HB3 ALA A 31 11.504 -4.269 -1.802 1.00 45.13 H new ATOM 531 N ILE A 32 8.178 -6.088 -2.873 1.00 1.45 N ATOM 532 CA ILE A 32 7.912 -7.062 -3.923 1.00 21.51 C ATOM 533 C ILE A 32 7.951 -6.410 -5.301 1.00 20.42 C ATOM 534 O ILE A 32 7.091 -5.596 -5.639 1.00 25.23 O ATOM 535 CB ILE A 32 6.544 -7.742 -3.727 1.00 53.43 C ATOM 536 CG1 ILE A 32 6.584 -8.681 -2.520 1.00 50.20 C ATOM 537 CG2 ILE A 32 6.145 -8.502 -4.983 1.00 42.35 C ATOM 538 CD1 ILE A 32 5.342 -8.612 -1.659 1.00 60.13 C ATOM 0 H ILE A 32 7.368 -5.533 -2.597 1.00 1.45 H new ATOM 0 HA ILE A 32 8.696 -7.817 -3.859 1.00 21.51 H new ATOM 0 HB ILE A 32 5.796 -6.972 -3.539 1.00 53.43 H new ATOM 0 HG12 ILE A 32 6.717 -9.705 -2.870 1.00 50.20 H new ATOM 0 HG13 ILE A 32 7.454 -8.438 -1.909 1.00 50.20 H new ATOM 0 HG21 ILE A 32 5.176 -8.977 -4.829 1.00 42.35 H new ATOM 0 HG22 ILE A 32 6.080 -7.809 -5.822 1.00 42.35 H new ATOM 0 HG23 ILE A 32 6.893 -9.265 -5.200 1.00 42.35 H new ATOM 0 HD11 ILE A 32 5.440 -9.304 -0.822 1.00 60.13 H new ATOM 0 HD12 ILE A 32 5.219 -7.598 -1.279 1.00 60.13 H new ATOM 0 HD13 ILE A 32 4.471 -8.884 -2.255 1.00 60.13 H new ATOM 550 N PHE A 33 8.953 -6.775 -6.094 1.00 21.02 N ATOM 551 CA PHE A 33 9.104 -6.226 -7.436 1.00 61.34 C ATOM 552 C PHE A 33 8.785 -7.279 -8.493 1.00 75.35 C ATOM 553 O PHE A 33 9.570 -8.198 -8.727 1.00 53.41 O ATOM 554 CB PHE A 33 10.527 -5.700 -7.638 1.00 73.22 C ATOM 555 CG PHE A 33 11.003 -4.815 -6.522 1.00 34.32 C ATOM 556 CD1 PHE A 33 10.148 -3.894 -5.938 1.00 42.55 C ATOM 557 CD2 PHE A 33 12.304 -4.906 -6.055 1.00 40.42 C ATOM 558 CE1 PHE A 33 10.584 -3.078 -4.912 1.00 11.44 C ATOM 559 CE2 PHE A 33 12.745 -4.093 -5.028 1.00 43.51 C ATOM 560 CZ PHE A 33 11.884 -3.178 -4.455 1.00 34.10 C ATOM 0 H PHE A 33 9.672 -7.448 -5.830 1.00 21.02 H new ATOM 0 HA PHE A 33 8.400 -5.401 -7.545 1.00 61.34 H new ATOM 0 HB2 PHE A 33 11.208 -6.546 -7.736 1.00 73.22 H new ATOM 0 HB3 PHE A 33 10.571 -5.145 -8.575 1.00 73.22 H new ATOM 0 HD1 PHE A 33 9.130 -3.813 -6.289 1.00 42.55 H new ATOM 0 HD2 PHE A 33 12.982 -5.621 -6.499 1.00 40.42 H new ATOM 0 HE1 PHE A 33 9.909 -2.362 -4.467 1.00 11.44 H new ATOM 0 HE2 PHE A 33 13.762 -4.173 -4.674 1.00 43.51 H new ATOM 0 HZ PHE A 33 12.226 -2.542 -3.652 1.00 34.10 H new ATOM 570 N MET A 34 7.626 -7.139 -9.129 1.00 14.34 N ATOM 571 CA MET A 34 7.202 -8.077 -10.161 1.00 72.13 C ATOM 572 C MET A 34 7.802 -7.705 -11.513 1.00 71.04 C ATOM 573 O MET A 34 7.786 -6.540 -11.911 1.00 41.02 O ATOM 574 CB MET A 34 5.675 -8.107 -10.258 1.00 43.54 C ATOM 575 CG MET A 34 5.066 -9.440 -9.856 1.00 3.22 C ATOM 576 SD MET A 34 3.272 -9.466 -10.033 1.00 1.30 S ATOM 577 CE MET A 34 2.792 -8.268 -8.791 1.00 11.20 C ATOM 0 H MET A 34 6.964 -6.385 -8.947 1.00 14.34 H new ATOM 0 HA MET A 34 7.560 -9.069 -9.885 1.00 72.13 H new ATOM 0 HB2 MET A 34 5.263 -7.323 -9.623 1.00 43.54 H new ATOM 0 HB3 MET A 34 5.380 -7.876 -11.281 1.00 43.54 H new ATOM 0 HG2 MET A 34 5.499 -10.232 -10.467 1.00 3.22 H new ATOM 0 HG3 MET A 34 5.328 -9.657 -8.821 1.00 3.22 H new ATOM 0 HE1 MET A 34 1.737 -8.396 -8.550 1.00 11.20 H new ATOM 0 HE2 MET A 34 3.390 -8.417 -7.892 1.00 11.20 H new ATOM 0 HE3 MET A 34 2.957 -7.261 -9.174 1.00 11.20 H new ATOM 587 N PHE A 35 8.331 -8.702 -12.215 1.00 52.35 N ATOM 588 CA PHE A 35 8.937 -8.478 -13.523 1.00 24.33 C ATOM 589 C PHE A 35 8.543 -9.581 -14.501 1.00 11.01 C ATOM 590 O PHE A 35 8.630 -10.766 -14.183 1.00 71.50 O ATOM 591 CB PHE A 35 10.461 -8.413 -13.397 1.00 71.51 C ATOM 592 CG PHE A 35 11.085 -9.716 -12.986 1.00 35.52 C ATOM 593 CD1 PHE A 35 10.818 -10.265 -11.742 1.00 31.22 C ATOM 594 CD2 PHE A 35 11.938 -10.392 -13.843 1.00 71.40 C ATOM 595 CE1 PHE A 35 11.390 -11.464 -11.360 1.00 72.32 C ATOM 596 CE2 PHE A 35 12.512 -11.592 -13.467 1.00 43.12 C ATOM 597 CZ PHE A 35 12.239 -12.128 -12.224 1.00 10.12 C ATOM 0 H PHE A 35 8.352 -9.672 -11.901 1.00 52.35 H new ATOM 0 HA PHE A 35 8.570 -7.527 -13.908 1.00 24.33 H new ATOM 0 HB2 PHE A 35 10.884 -8.102 -14.353 1.00 71.51 H new ATOM 0 HB3 PHE A 35 10.725 -7.647 -12.668 1.00 71.51 H new ATOM 0 HD1 PHE A 35 10.155 -9.750 -11.063 1.00 31.22 H new ATOM 0 HD2 PHE A 35 12.157 -9.977 -14.816 1.00 71.40 H new ATOM 0 HE1 PHE A 35 11.173 -11.881 -10.388 1.00 72.32 H new ATOM 0 HE2 PHE A 35 13.174 -12.110 -14.145 1.00 43.12 H new ATOM 0 HZ PHE A 35 12.688 -13.064 -11.928 1.00 10.12 H new ATOM 607 N GLU A 36 8.108 -9.180 -15.692 1.00 25.04 N ATOM 608 CA GLU A 36 7.699 -10.134 -16.716 1.00 21.04 C ATOM 609 C GLU A 36 8.694 -10.150 -17.873 1.00 33.11 C ATOM 610 O GLU A 36 8.486 -10.834 -18.875 1.00 62.31 O ATOM 611 CB GLU A 36 6.301 -9.790 -17.235 1.00 24.53 C ATOM 612 CG GLU A 36 6.247 -8.493 -18.023 1.00 51.21 C ATOM 613 CD GLU A 36 5.842 -8.705 -19.469 1.00 30.11 C ATOM 614 OE1 GLU A 36 5.082 -9.658 -19.739 1.00 14.01 O ATOM 615 OE2 GLU A 36 6.286 -7.917 -20.330 1.00 70.45 O ATOM 0 H GLU A 36 8.030 -8.202 -15.971 1.00 25.04 H new ATOM 0 HA GLU A 36 7.677 -11.126 -16.265 1.00 21.04 H new ATOM 0 HB2 GLU A 36 5.947 -10.604 -17.867 1.00 24.53 H new ATOM 0 HB3 GLU A 36 5.616 -9.721 -16.390 1.00 24.53 H new ATOM 0 HG2 GLU A 36 5.540 -7.813 -17.548 1.00 51.21 H new ATOM 0 HG3 GLU A 36 7.224 -8.011 -17.990 1.00 51.21 H new ATOM 688 N ASN A 42 19.497 -9.322 -13.412 1.00 53.55 N ATOM 689 CA ASN A 42 19.274 -7.886 -13.282 1.00 63.03 C ATOM 690 C ASN A 42 18.449 -7.574 -12.038 1.00 21.14 C ATOM 691 O ASN A 42 18.602 -6.515 -11.429 1.00 12.32 O ATOM 692 CB ASN A 42 18.567 -7.344 -14.526 1.00 0.41 C ATOM 693 CG ASN A 42 19.532 -6.713 -15.511 1.00 2.41 C ATOM 694 OD1 ASN A 42 19.759 -7.241 -16.600 1.00 1.34 O ATOM 695 ND2 ASN A 42 20.106 -5.577 -15.132 1.00 10.34 N ATOM 0 HA ASN A 42 20.245 -7.400 -13.183 1.00 63.03 H new ATOM 0 HB2 ASN A 42 18.029 -8.155 -15.017 1.00 0.41 H new ATOM 0 HB3 ASN A 42 17.824 -6.605 -14.225 1.00 0.41 H new ATOM 0 HD21 ASN A 42 20.764 -5.106 -15.753 1.00 10.34 H new ATOM 0 HD22 ASN A 42 19.888 -5.175 -14.220 1.00 10.34 H new ATOM 702 N ILE A 43 17.576 -8.504 -11.665 1.00 54.43 N ATOM 703 CA ILE A 43 16.728 -8.329 -10.493 1.00 11.45 C ATOM 704 C ILE A 43 17.556 -7.966 -9.265 1.00 2.33 C ATOM 705 O ILE A 43 17.337 -6.942 -8.617 1.00 54.34 O ATOM 706 CB ILE A 43 15.914 -9.601 -10.191 1.00 41.02 C ATOM 707 CG1 ILE A 43 14.600 -9.590 -10.975 1.00 64.14 C ATOM 708 CG2 ILE A 43 15.645 -9.716 -8.698 1.00 62.52 C ATOM 709 CD1 ILE A 43 13.657 -8.483 -10.559 1.00 45.14 C ATOM 0 H ILE A 43 17.438 -9.386 -12.158 1.00 54.43 H new ATOM 0 HA ILE A 43 16.041 -7.514 -10.720 1.00 11.45 H new ATOM 0 HB ILE A 43 16.495 -10.469 -10.504 1.00 41.02 H new ATOM 0 HG12 ILE A 43 14.821 -9.488 -12.037 1.00 64.14 H new ATOM 0 HG13 ILE A 43 14.100 -10.550 -10.844 1.00 64.14 H new ATOM 0 HG21 ILE A 43 15.069 -10.620 -8.501 1.00 62.52 H new ATOM 0 HG22 ILE A 43 16.592 -9.765 -8.160 1.00 62.52 H new ATOM 0 HG23 ILE A 43 15.081 -8.846 -8.362 1.00 62.52 H new ATOM 0 HD11 ILE A 43 12.747 -8.537 -11.157 1.00 45.14 H new ATOM 0 HD12 ILE A 43 13.406 -8.596 -9.504 1.00 45.14 H new ATOM 0 HD13 ILE A 43 14.138 -7.517 -10.716 1.00 45.14 H new ATOM 721 N PRO A 44 18.534 -8.823 -8.936 1.00 35.43 N ATOM 722 CA PRO A 44 19.417 -8.613 -7.785 1.00 33.53 C ATOM 723 C PRO A 44 20.377 -7.448 -7.996 1.00 11.22 C ATOM 724 O PRO A 44 20.947 -6.919 -7.042 1.00 5.04 O ATOM 725 CB PRO A 44 20.189 -9.931 -7.685 1.00 62.23 C ATOM 726 CG PRO A 44 20.165 -10.489 -9.066 1.00 64.43 C ATOM 727 CD PRO A 44 18.852 -10.064 -9.662 1.00 70.03 C ATOM 0 HA PRO A 44 18.859 -8.361 -6.884 1.00 33.53 H new ATOM 0 HB2 PRO A 44 21.210 -9.767 -7.342 1.00 62.23 H new ATOM 0 HB3 PRO A 44 19.720 -10.612 -6.975 1.00 62.23 H new ATOM 0 HG2 PRO A 44 21.001 -10.111 -9.654 1.00 64.43 H new ATOM 0 HG3 PRO A 44 20.253 -11.575 -9.049 1.00 64.43 H new ATOM 0 HD2 PRO A 44 18.935 -9.892 -10.735 1.00 70.03 H new ATOM 0 HD3 PRO A 44 18.082 -10.822 -9.519 1.00 70.03 H new ATOM 735 N LYS A 45 20.551 -7.051 -9.252 1.00 10.22 N ATOM 736 CA LYS A 45 21.441 -5.946 -9.589 1.00 72.12 C ATOM 737 C LYS A 45 20.848 -4.614 -9.142 1.00 11.21 C ATOM 738 O LYS A 45 21.577 -3.662 -8.861 1.00 33.54 O ATOM 739 CB LYS A 45 21.705 -5.919 -11.096 1.00 55.44 C ATOM 740 CG LYS A 45 23.110 -5.472 -11.460 1.00 21.21 C ATOM 741 CD LYS A 45 23.090 -4.281 -12.403 1.00 64.34 C ATOM 742 CE LYS A 45 24.417 -4.125 -13.131 1.00 54.14 C ATOM 743 NZ LYS A 45 24.502 -5.011 -14.325 1.00 53.35 N ATOM 0 H LYS A 45 20.087 -7.478 -10.054 1.00 10.22 H new ATOM 0 HA LYS A 45 22.384 -6.098 -9.064 1.00 72.12 H new ATOM 0 HB2 LYS A 45 21.532 -6.915 -11.504 1.00 55.44 H new ATOM 0 HB3 LYS A 45 20.986 -5.251 -11.570 1.00 55.44 H new ATOM 0 HG2 LYS A 45 23.656 -5.210 -10.553 1.00 21.21 H new ATOM 0 HG3 LYS A 45 23.646 -6.298 -11.927 1.00 21.21 H new ATOM 0 HD2 LYS A 45 22.287 -4.404 -13.130 1.00 64.34 H new ATOM 0 HD3 LYS A 45 22.874 -3.373 -11.840 1.00 64.34 H new ATOM 0 HE2 LYS A 45 24.542 -3.087 -13.439 1.00 54.14 H new ATOM 0 HE3 LYS A 45 25.235 -4.356 -12.449 1.00 54.14 H new ATOM 0 HZ1 LYS A 45 25.421 -4.875 -14.793 1.00 53.35 H new ATOM 0 HZ2 LYS A 45 24.408 -6.003 -14.028 1.00 53.35 H new ATOM 0 HZ3 LYS A 45 23.737 -4.774 -14.988 1.00 53.35 H new ATOM 757 N SER A 46 19.522 -4.553 -9.077 1.00 74.41 N ATOM 758 CA SER A 46 18.831 -3.337 -8.666 1.00 1.41 C ATOM 759 C SER A 46 18.995 -3.099 -7.168 1.00 35.13 C ATOM 760 O SER A 46 19.377 -2.011 -6.739 1.00 11.12 O ATOM 761 CB SER A 46 17.345 -3.423 -9.021 1.00 25.41 C ATOM 762 OG SER A 46 17.087 -4.532 -9.865 1.00 13.11 O ATOM 0 H SER A 46 18.904 -5.332 -9.304 1.00 74.41 H new ATOM 0 HA SER A 46 19.276 -2.498 -9.201 1.00 1.41 H new ATOM 0 HB2 SER A 46 16.754 -3.510 -8.109 1.00 25.41 H new ATOM 0 HB3 SER A 46 17.032 -2.504 -9.517 1.00 25.41 H new ATOM 0 HG SER A 46 17.038 -5.349 -9.326 1.00 13.11 H new ATOM 768 N ALA A 47 18.702 -4.126 -6.377 1.00 33.22 N ATOM 769 CA ALA A 47 18.818 -4.031 -4.927 1.00 34.21 C ATOM 770 C ALA A 47 20.242 -3.680 -4.512 1.00 3.21 C ATOM 771 O ALA A 47 20.467 -3.136 -3.431 1.00 52.23 O ATOM 772 CB ALA A 47 18.383 -5.336 -4.276 1.00 71.01 C ATOM 0 H ALA A 47 18.383 -5.033 -6.716 1.00 33.22 H new ATOM 0 HA ALA A 47 18.161 -3.231 -4.587 1.00 34.21 H new ATOM 0 HB1 ALA A 47 18.475 -5.251 -3.193 1.00 71.01 H new ATOM 0 HB2 ALA A 47 17.345 -5.545 -4.537 1.00 71.01 H new ATOM 0 HB3 ALA A 47 19.017 -6.149 -4.631 1.00 71.01 H new ATOM 778 N GLU A 48 21.201 -3.995 -5.378 1.00 32.15 N ATOM 779 CA GLU A 48 22.604 -3.713 -5.098 1.00 70.35 C ATOM 780 C GLU A 48 22.913 -2.234 -5.306 1.00 45.52 C ATOM 781 O GLU A 48 23.789 -1.672 -4.647 1.00 31.40 O ATOM 782 CB GLU A 48 23.506 -4.565 -5.994 1.00 41.12 C ATOM 783 CG GLU A 48 24.956 -4.597 -5.543 1.00 25.15 C ATOM 784 CD GLU A 48 25.852 -3.716 -6.392 1.00 72.53 C ATOM 785 OE1 GLU A 48 25.721 -3.758 -7.633 1.00 73.24 O ATOM 786 OE2 GLU A 48 26.684 -2.985 -5.815 1.00 72.24 O ATOM 0 H GLU A 48 21.032 -4.445 -6.278 1.00 32.15 H new ATOM 0 HA GLU A 48 22.798 -3.964 -4.055 1.00 70.35 H new ATOM 0 HB2 GLU A 48 23.120 -5.584 -6.020 1.00 41.12 H new ATOM 0 HB3 GLU A 48 23.460 -4.180 -7.013 1.00 41.12 H new ATOM 0 HG2 GLU A 48 25.016 -4.275 -4.503 1.00 25.15 H new ATOM 0 HG3 GLU A 48 25.321 -5.623 -5.580 1.00 25.15 H new ATOM 793 N PHE A 49 22.189 -1.607 -6.228 1.00 21.33 N ATOM 794 CA PHE A 49 22.386 -0.193 -6.524 1.00 64.34 C ATOM 795 C PHE A 49 22.232 0.654 -5.264 1.00 62.54 C ATOM 796 O PHE A 49 22.780 1.752 -5.172 1.00 11.53 O ATOM 797 CB PHE A 49 21.390 0.270 -7.589 1.00 50.11 C ATOM 798 CG PHE A 49 22.041 0.908 -8.783 1.00 4.24 C ATOM 799 CD1 PHE A 49 22.422 2.240 -8.751 1.00 41.20 C ATOM 800 CD2 PHE A 49 22.274 0.176 -9.936 1.00 13.13 C ATOM 801 CE1 PHE A 49 23.021 2.830 -9.848 1.00 71.22 C ATOM 802 CE2 PHE A 49 22.873 0.760 -11.036 1.00 13.31 C ATOM 803 CZ PHE A 49 23.248 2.089 -10.992 1.00 33.34 C ATOM 0 H PHE A 49 21.461 -2.056 -6.783 1.00 21.33 H new ATOM 0 HA PHE A 49 23.400 -0.065 -6.904 1.00 64.34 H new ATOM 0 HB2 PHE A 49 20.801 -0.585 -7.920 1.00 50.11 H new ATOM 0 HB3 PHE A 49 20.696 0.981 -7.141 1.00 50.11 H new ATOM 0 HD1 PHE A 49 22.249 2.824 -7.859 1.00 41.20 H new ATOM 0 HD2 PHE A 49 21.984 -0.864 -9.976 1.00 13.13 H new ATOM 0 HE1 PHE A 49 23.311 3.870 -9.811 1.00 71.22 H new ATOM 0 HE2 PHE A 49 23.048 0.178 -11.929 1.00 13.31 H new ATOM 0 HZ PHE A 49 23.717 2.548 -11.850 1.00 33.34 H new ATOM 813 N ILE A 50 21.483 0.134 -4.298 1.00 13.20 N ATOM 814 CA ILE A 50 21.257 0.842 -3.044 1.00 34.53 C ATOM 815 C ILE A 50 22.464 0.722 -2.120 1.00 11.21 C ATOM 816 O ILE A 50 22.821 1.672 -1.424 1.00 13.31 O ATOM 817 CB ILE A 50 20.010 0.307 -2.313 1.00 5.40 C ATOM 818 CG1 ILE A 50 18.795 0.341 -3.241 1.00 54.11 C ATOM 819 CG2 ILE A 50 19.746 1.120 -1.054 1.00 53.14 C ATOM 820 CD1 ILE A 50 18.357 1.741 -3.613 1.00 34.53 C ATOM 0 H ILE A 50 21.023 -0.774 -4.359 1.00 13.20 H new ATOM 0 HA ILE A 50 21.099 1.890 -3.297 1.00 34.53 H new ATOM 0 HB ILE A 50 20.192 -0.728 -2.022 1.00 5.40 H new ATOM 0 HG12 ILE A 50 19.028 -0.212 -4.151 1.00 54.11 H new ATOM 0 HG13 ILE A 50 17.965 -0.174 -2.758 1.00 54.11 H new ATOM 0 HG21 ILE A 50 18.862 0.731 -0.548 1.00 53.14 H new ATOM 0 HG22 ILE A 50 20.606 1.049 -0.388 1.00 53.14 H new ATOM 0 HG23 ILE A 50 19.580 2.163 -1.323 1.00 53.14 H new ATOM 0 HD11 ILE A 50 17.491 1.688 -4.273 1.00 34.53 H new ATOM 0 HD12 ILE A 50 18.093 2.291 -2.710 1.00 34.53 H new ATOM 0 HD13 ILE A 50 19.172 2.253 -4.125 1.00 34.53 H new ATOM 832 N GLN A 51 23.089 -0.451 -2.121 1.00 3.51 N ATOM 833 CA GLN A 51 24.258 -0.693 -1.283 1.00 71.23 C ATOM 834 C GLN A 51 24.789 -2.108 -1.487 1.00 64.21 C ATOM 835 O GLN A 51 24.026 -3.074 -1.492 1.00 51.33 O ATOM 836 CB GLN A 51 23.910 -0.474 0.190 1.00 1.40 C ATOM 837 CG GLN A 51 24.927 0.376 0.935 1.00 20.22 C ATOM 838 CD GLN A 51 26.348 -0.120 0.751 1.00 11.35 C ATOM 839 OE1 GLN A 51 26.954 0.075 -0.302 1.00 43.53 O ATOM 840 NE2 GLN A 51 26.888 -0.765 1.779 1.00 74.01 N ATOM 0 H GLN A 51 22.806 -1.248 -2.692 1.00 3.51 H new ATOM 0 HA GLN A 51 25.035 0.013 -1.574 1.00 71.23 H new ATOM 0 HB2 GLN A 51 22.932 0.002 0.257 1.00 1.40 H new ATOM 0 HB3 GLN A 51 23.827 -1.443 0.683 1.00 1.40 H new ATOM 0 HG2 GLN A 51 24.858 1.407 0.587 1.00 20.22 H new ATOM 0 HG3 GLN A 51 24.682 0.381 1.997 1.00 20.22 H new ATOM 0 HE21 GLN A 51 26.349 -0.904 2.634 1.00 74.01 H new ATOM 0 HE22 GLN A 51 27.842 -1.121 1.714 1.00 74.01 H new ATOM 849 N SER A 52 26.103 -2.223 -1.655 1.00 71.20 N ATOM 850 CA SER A 52 26.736 -3.520 -1.864 1.00 22.14 C ATOM 851 C SER A 52 26.307 -4.514 -0.788 1.00 54.53 C ATOM 852 O SER A 52 26.209 -5.715 -1.039 1.00 41.02 O ATOM 853 CB SER A 52 28.259 -3.374 -1.860 1.00 61.10 C ATOM 854 OG SER A 52 28.881 -4.501 -2.454 1.00 13.42 O ATOM 0 H SER A 52 26.749 -1.434 -1.650 1.00 71.20 H new ATOM 0 HA SER A 52 26.416 -3.900 -2.834 1.00 22.14 H new ATOM 0 HB2 SER A 52 28.542 -2.471 -2.401 1.00 61.10 H new ATOM 0 HB3 SER A 52 28.614 -3.257 -0.836 1.00 61.10 H new ATOM 0 HG SER A 52 29.854 -4.383 -2.441 1.00 13.42 H new ATOM 860 N LYS A 53 26.051 -4.003 0.412 1.00 71.15 N ATOM 861 CA LYS A 53 25.630 -4.843 1.527 1.00 44.21 C ATOM 862 C LYS A 53 24.421 -4.241 2.235 1.00 10.03 C ATOM 863 O LYS A 53 24.404 -3.053 2.555 1.00 24.23 O ATOM 864 CB LYS A 53 26.781 -5.020 2.521 1.00 73.24 C ATOM 865 CG LYS A 53 27.422 -3.712 2.948 1.00 1.53 C ATOM 866 CD LYS A 53 27.980 -3.799 4.359 1.00 42.01 C ATOM 867 CE LYS A 53 29.470 -4.107 4.351 1.00 74.51 C ATOM 868 NZ LYS A 53 30.260 -3.042 5.027 1.00 23.34 N ATOM 0 H LYS A 53 26.128 -3.011 0.637 1.00 71.15 H new ATOM 0 HA LYS A 53 25.348 -5.818 1.129 1.00 44.21 H new ATOM 0 HB2 LYS A 53 26.410 -5.539 3.405 1.00 73.24 H new ATOM 0 HB3 LYS A 53 27.542 -5.659 2.073 1.00 73.24 H new ATOM 0 HG2 LYS A 53 28.222 -3.455 2.254 1.00 1.53 H new ATOM 0 HG3 LYS A 53 26.685 -2.911 2.896 1.00 1.53 H new ATOM 0 HD2 LYS A 53 27.805 -2.857 4.879 1.00 42.01 H new ATOM 0 HD3 LYS A 53 27.450 -4.573 4.914 1.00 42.01 H new ATOM 0 HE2 LYS A 53 29.646 -5.061 4.848 1.00 74.51 H new ATOM 0 HE3 LYS A 53 29.813 -4.216 3.322 1.00 74.51 H new ATOM 0 HZ1 LYS A 53 31.270 -3.289 5.000 1.00 23.34 H new ATOM 0 HZ2 LYS A 53 30.112 -2.136 4.538 1.00 23.34 H new ATOM 0 HZ3 LYS A 53 29.951 -2.955 6.016 1.00 23.34 H new ATOM 882 N GLY A 54 23.410 -5.070 2.479 1.00 40.34 N ATOM 883 CA GLY A 54 22.211 -4.601 3.149 1.00 43.11 C ATOM 884 C GLY A 54 20.943 -5.036 2.441 1.00 45.31 C ATOM 885 O GLY A 54 19.847 -4.925 2.991 1.00 43.11 O ATOM 0 H GLY A 54 23.400 -6.058 2.225 1.00 40.34 H new ATOM 0 HA2 GLY A 54 22.199 -4.977 4.172 1.00 43.11 H new ATOM 0 HA3 GLY A 54 22.235 -3.513 3.210 1.00 43.11 H new ATOM 889 N HIS A 55 21.091 -5.531 1.216 1.00 4.41 N ATOM 890 CA HIS A 55 19.948 -5.983 0.431 1.00 43.41 C ATOM 891 C HIS A 55 19.931 -7.504 0.323 1.00 31.41 C ATOM 892 O HIS A 55 20.846 -8.106 -0.238 1.00 71.10 O ATOM 893 CB HIS A 55 19.984 -5.361 -0.966 1.00 22.24 C ATOM 894 CG HIS A 55 21.161 -5.795 -1.784 1.00 71.13 C ATOM 895 ND1 HIS A 55 22.446 -5.353 -1.548 1.00 73.54 N ATOM 896 CD2 HIS A 55 21.242 -6.637 -2.841 1.00 22.54 C ATOM 897 CE1 HIS A 55 23.266 -5.904 -2.425 1.00 61.04 C ATOM 898 NE2 HIS A 55 22.561 -6.688 -3.221 1.00 32.03 N ATOM 0 H HIS A 55 21.991 -5.629 0.746 1.00 4.41 H new ATOM 0 HA HIS A 55 19.039 -5.662 0.940 1.00 43.41 H new ATOM 0 HB2 HIS A 55 19.068 -5.623 -1.495 1.00 22.24 H new ATOM 0 HB3 HIS A 55 19.998 -4.275 -0.871 1.00 22.24 H new ATOM 0 HD1 HIS A 55 22.720 -4.703 -0.812 1.00 73.54 H new ATOM 0 HD2 HIS A 55 20.422 -7.169 -3.300 1.00 22.54 H new ATOM 0 HE1 HIS A 55 24.332 -5.741 -2.482 1.00 61.04 H new ATOM 906 N GLU A 56 18.884 -8.119 0.865 1.00 24.51 N ATOM 907 CA GLU A 56 18.750 -9.571 0.831 1.00 61.14 C ATOM 908 C GLU A 56 17.390 -9.978 0.270 1.00 24.54 C ATOM 909 O GLU A 56 16.347 -9.625 0.823 1.00 65.25 O ATOM 910 CB GLU A 56 18.932 -10.156 2.233 1.00 43.13 C ATOM 911 CG GLU A 56 19.709 -11.462 2.251 1.00 2.54 C ATOM 912 CD GLU A 56 18.807 -12.676 2.354 1.00 51.12 C ATOM 913 OE1 GLU A 56 17.650 -12.597 1.890 1.00 64.33 O ATOM 914 OE2 GLU A 56 19.258 -13.705 2.898 1.00 23.34 O ATOM 0 H GLU A 56 18.117 -7.635 1.332 1.00 24.51 H new ATOM 0 HA GLU A 56 19.527 -9.967 0.177 1.00 61.14 H new ATOM 0 HB2 GLU A 56 19.448 -9.427 2.858 1.00 43.13 H new ATOM 0 HB3 GLU A 56 17.951 -10.320 2.679 1.00 43.13 H new ATOM 0 HG2 GLU A 56 20.309 -11.536 1.344 1.00 2.54 H new ATOM 0 HG3 GLU A 56 20.402 -11.457 3.092 1.00 2.54 H new ATOM 921 N LEU A 57 17.409 -10.723 -0.829 1.00 65.15 N ATOM 922 CA LEU A 57 16.179 -11.179 -1.466 1.00 73.12 C ATOM 923 C LEU A 57 15.551 -12.325 -0.680 1.00 20.44 C ATOM 924 O LEU A 57 15.994 -13.471 -0.772 1.00 35.33 O ATOM 925 CB LEU A 57 16.459 -11.624 -2.903 1.00 31.45 C ATOM 926 CG LEU A 57 16.859 -10.520 -3.882 1.00 24.25 C ATOM 927 CD1 LEU A 57 15.927 -9.326 -3.750 1.00 1.14 C ATOM 928 CD2 LEU A 57 18.303 -10.100 -3.650 1.00 5.11 C ATOM 0 H LEU A 57 18.263 -11.024 -1.298 1.00 65.15 H new ATOM 0 HA LEU A 57 15.477 -10.345 -1.481 1.00 73.12 H new ATOM 0 HB2 LEU A 57 17.254 -12.369 -2.883 1.00 31.45 H new ATOM 0 HB3 LEU A 57 15.568 -12.119 -3.289 1.00 31.45 H new ATOM 0 HG LEU A 57 16.773 -10.911 -4.896 1.00 24.25 H new ATOM 0 HD11 LEU A 57 16.227 -8.550 -4.455 1.00 1.14 H new ATOM 0 HD12 LEU A 57 14.905 -9.637 -3.966 1.00 1.14 H new ATOM 0 HD13 LEU A 57 15.980 -8.934 -2.734 1.00 1.14 H new ATOM 0 HD21 LEU A 57 18.571 -9.313 -4.355 1.00 5.11 H new ATOM 0 HD22 LEU A 57 18.414 -9.728 -2.632 1.00 5.11 H new ATOM 0 HD23 LEU A 57 18.959 -10.958 -3.796 1.00 5.11 H new ATOM 940 N LEU A 58 14.517 -12.010 0.092 1.00 52.10 N ATOM 941 CA LEU A 58 13.826 -13.014 0.893 1.00 13.15 C ATOM 942 C LEU A 58 13.370 -14.184 0.027 1.00 45.42 C ATOM 943 O LEU A 58 13.601 -15.344 0.363 1.00 35.41 O ATOM 944 CB LEU A 58 12.622 -12.390 1.601 1.00 13.22 C ATOM 945 CG LEU A 58 12.663 -12.398 3.130 1.00 42.23 C ATOM 946 CD1 LEU A 58 12.015 -11.140 3.688 1.00 71.52 C ATOM 947 CD2 LEU A 58 11.977 -13.641 3.675 1.00 35.43 C ATOM 0 H LEU A 58 14.139 -11.067 0.180 1.00 52.10 H new ATOM 0 HA LEU A 58 14.525 -13.390 1.640 1.00 13.15 H new ATOM 0 HB2 LEU A 58 12.524 -11.358 1.266 1.00 13.22 H new ATOM 0 HB3 LEU A 58 11.724 -12.917 1.279 1.00 13.22 H new ATOM 0 HG LEU A 58 13.706 -12.415 3.447 1.00 42.23 H new ATOM 0 HD11 LEU A 58 12.053 -11.163 4.777 1.00 71.52 H new ATOM 0 HD12 LEU A 58 12.551 -10.263 3.325 1.00 71.52 H new ATOM 0 HD13 LEU A 58 10.976 -11.091 3.363 1.00 71.52 H new ATOM 0 HD21 LEU A 58 12.016 -13.630 4.764 1.00 35.43 H new ATOM 0 HD22 LEU A 58 10.937 -13.655 3.349 1.00 35.43 H new ATOM 0 HD23 LEU A 58 12.486 -14.530 3.303 1.00 35.43 H new ATOM 1088 N ASP A 67 5.895 -13.842 -15.453 1.00 4.11 N ATOM 1089 CA ASP A 67 6.409 -12.827 -14.540 1.00 63.12 C ATOM 1090 C ASP A 67 6.327 -13.305 -13.094 1.00 25.50 C ATOM 1091 O ASP A 67 5.283 -13.778 -12.644 1.00 43.34 O ATOM 1092 CB ASP A 67 5.629 -11.522 -14.704 1.00 2.34 C ATOM 1093 CG ASP A 67 4.523 -11.376 -13.677 1.00 4.32 C ATOM 1094 OD1 ASP A 67 4.831 -11.015 -12.522 1.00 11.13 O ATOM 1095 OD2 ASP A 67 3.351 -11.623 -14.028 1.00 54.12 O ATOM 0 HA ASP A 67 7.456 -12.649 -14.786 1.00 63.12 H new ATOM 0 HB2 ASP A 67 6.315 -10.679 -14.618 1.00 2.34 H new ATOM 0 HB3 ASP A 67 5.199 -11.482 -15.705 1.00 2.34 H new ATOM 1100 N TRP A 68 7.435 -13.181 -12.372 1.00 11.12 N ATOM 1101 CA TRP A 68 7.489 -13.602 -10.976 1.00 55.23 C ATOM 1102 C TRP A 68 7.622 -12.398 -10.050 1.00 30.55 C ATOM 1103 O TRP A 68 7.617 -11.252 -10.499 1.00 4.21 O ATOM 1104 CB TRP A 68 8.658 -14.563 -10.757 1.00 2.54 C ATOM 1105 CG TRP A 68 8.326 -15.704 -9.843 1.00 41.34 C ATOM 1106 CD1 TRP A 68 8.789 -15.899 -8.573 1.00 41.54 C ATOM 1107 CD2 TRP A 68 7.461 -16.808 -10.131 1.00 41.31 C ATOM 1108 NE1 TRP A 68 8.264 -17.057 -8.054 1.00 71.33 N ATOM 1109 CE2 TRP A 68 7.446 -17.633 -8.990 1.00 35.13 C ATOM 1110 CE3 TRP A 68 6.697 -17.178 -11.241 1.00 33.34 C ATOM 1111 CZ2 TRP A 68 6.696 -18.805 -8.929 1.00 65.23 C ATOM 1112 CZ3 TRP A 68 5.954 -18.342 -11.179 1.00 41.01 C ATOM 1113 CH2 TRP A 68 5.957 -19.144 -10.030 1.00 45.11 C ATOM 0 H TRP A 68 8.308 -12.793 -12.730 1.00 11.12 H new ATOM 0 HA TRP A 68 6.557 -14.116 -10.740 1.00 55.23 H new ATOM 0 HB2 TRP A 68 8.978 -14.960 -11.720 1.00 2.54 H new ATOM 0 HB3 TRP A 68 9.501 -14.010 -10.344 1.00 2.54 H new ATOM 0 HD1 TRP A 68 9.468 -15.239 -8.053 1.00 41.54 H new ATOM 0 HE1 TRP A 68 8.452 -17.428 -7.123 1.00 71.33 H new ATOM 0 HE3 TRP A 68 6.687 -16.566 -12.131 1.00 33.34 H new ATOM 0 HZ2 TRP A 68 6.698 -19.424 -8.044 1.00 65.23 H new ATOM 0 HZ3 TRP A 68 5.361 -18.639 -12.031 1.00 41.01 H new ATOM 0 HH2 TRP A 68 5.365 -20.047 -10.013 1.00 45.11 H new ATOM 1124 N THR A 69 7.741 -12.666 -8.753 1.00 1.23 N ATOM 1125 CA THR A 69 7.875 -11.605 -7.763 1.00 11.33 C ATOM 1126 C THR A 69 9.124 -11.801 -6.912 1.00 22.14 C ATOM 1127 O THR A 69 9.426 -12.916 -6.484 1.00 1.32 O ATOM 1128 CB THR A 69 6.644 -11.539 -6.839 1.00 73.24 C ATOM 1129 OG1 THR A 69 6.812 -12.434 -5.734 1.00 40.21 O ATOM 1130 CG2 THR A 69 5.377 -11.899 -7.601 1.00 13.52 C ATOM 0 H THR A 69 7.747 -13.609 -8.364 1.00 1.23 H new ATOM 0 HA THR A 69 7.957 -10.668 -8.314 1.00 11.33 H new ATOM 0 HB THR A 69 6.550 -10.518 -6.468 1.00 73.24 H new ATOM 0 HG1 THR A 69 6.026 -12.385 -5.151 1.00 40.21 H new ATOM 0 HG21 THR A 69 4.521 -11.846 -6.929 1.00 13.52 H new ATOM 0 HG22 THR A 69 5.236 -11.199 -8.424 1.00 13.52 H new ATOM 0 HG23 THR A 69 5.465 -12.911 -7.997 1.00 13.52 H new ATOM 1138 N ILE A 70 9.846 -10.713 -6.669 1.00 44.50 N ATOM 1139 CA ILE A 70 11.062 -10.766 -5.867 1.00 23.00 C ATOM 1140 C ILE A 70 10.935 -9.902 -4.617 1.00 51.21 C ATOM 1141 O ILE A 70 10.743 -8.689 -4.705 1.00 3.23 O ATOM 1142 CB ILE A 70 12.290 -10.304 -6.674 1.00 51.10 C ATOM 1143 CG1 ILE A 70 13.539 -10.305 -5.790 1.00 14.32 C ATOM 1144 CG2 ILE A 70 12.049 -8.920 -7.259 1.00 21.23 C ATOM 1145 CD1 ILE A 70 13.847 -11.655 -5.181 1.00 44.25 C ATOM 0 H ILE A 70 9.610 -9.783 -7.016 1.00 44.50 H new ATOM 0 HA ILE A 70 11.201 -11.807 -5.574 1.00 23.00 H new ATOM 0 HB ILE A 70 12.450 -11.002 -7.496 1.00 51.10 H new ATOM 0 HG12 ILE A 70 14.394 -9.979 -6.383 1.00 14.32 H new ATOM 0 HG13 ILE A 70 13.409 -9.576 -4.990 1.00 14.32 H new ATOM 0 HG21 ILE A 70 12.925 -8.607 -7.826 1.00 21.23 H new ATOM 0 HG22 ILE A 70 11.181 -8.950 -7.918 1.00 21.23 H new ATOM 0 HG23 ILE A 70 11.867 -8.210 -6.452 1.00 21.23 H new ATOM 0 HD11 ILE A 70 14.745 -11.581 -4.567 1.00 44.25 H new ATOM 0 HD12 ILE A 70 13.009 -11.974 -4.561 1.00 44.25 H new ATOM 0 HD13 ILE A 70 14.009 -12.384 -5.975 1.00 44.25 H new ATOM 1157 N VAL A 71 11.044 -10.534 -3.453 1.00 63.31 N ATOM 1158 CA VAL A 71 10.944 -9.823 -2.184 1.00 64.22 C ATOM 1159 C VAL A 71 12.312 -9.336 -1.718 1.00 72.11 C ATOM 1160 O VAL A 71 13.253 -10.120 -1.594 1.00 11.00 O ATOM 1161 CB VAL A 71 10.328 -10.714 -1.089 1.00 10.51 C ATOM 1162 CG1 VAL A 71 9.772 -9.862 0.042 1.00 4.51 C ATOM 1163 CG2 VAL A 71 9.246 -11.607 -1.676 1.00 15.14 C ATOM 0 H VAL A 71 11.202 -11.538 -3.362 1.00 63.31 H new ATOM 0 HA VAL A 71 10.294 -8.965 -2.352 1.00 64.22 H new ATOM 0 HB VAL A 71 11.111 -11.352 -0.680 1.00 10.51 H new ATOM 0 HG11 VAL A 71 9.341 -10.508 0.806 1.00 4.51 H new ATOM 0 HG12 VAL A 71 10.575 -9.269 0.479 1.00 4.51 H new ATOM 0 HG13 VAL A 71 9.001 -9.197 -0.348 1.00 4.51 H new ATOM 0 HG21 VAL A 71 8.821 -12.230 -0.889 1.00 15.14 H new ATOM 0 HG22 VAL A 71 8.461 -10.989 -2.113 1.00 15.14 H new ATOM 0 HG23 VAL A 71 9.679 -12.243 -2.448 1.00 15.14 H new ATOM 1173 N VAL A 72 12.415 -8.036 -1.460 1.00 74.15 N ATOM 1174 CA VAL A 72 13.667 -7.444 -1.006 1.00 52.50 C ATOM 1175 C VAL A 72 13.508 -6.812 0.372 1.00 34.25 C ATOM 1176 O VAL A 72 12.584 -6.032 0.606 1.00 24.03 O ATOM 1177 CB VAL A 72 14.173 -6.375 -1.993 1.00 14.51 C ATOM 1178 CG1 VAL A 72 15.647 -6.084 -1.756 1.00 53.30 C ATOM 1179 CG2 VAL A 72 13.932 -6.818 -3.428 1.00 21.51 C ATOM 0 H VAL A 72 11.646 -7.373 -1.558 1.00 74.15 H new ATOM 0 HA VAL A 72 14.397 -8.252 -0.951 1.00 52.50 H new ATOM 0 HB VAL A 72 13.614 -5.455 -1.823 1.00 14.51 H new ATOM 0 HG11 VAL A 72 15.987 -5.327 -2.463 1.00 53.30 H new ATOM 0 HG12 VAL A 72 15.787 -5.720 -0.738 1.00 53.30 H new ATOM 0 HG13 VAL A 72 16.225 -6.997 -1.897 1.00 53.30 H new ATOM 0 HG21 VAL A 72 14.296 -6.051 -4.112 1.00 21.51 H new ATOM 0 HG22 VAL A 72 14.463 -7.751 -3.615 1.00 21.51 H new ATOM 0 HG23 VAL A 72 12.864 -6.970 -3.588 1.00 21.51 H new ATOM 1189 N ARG A 73 14.414 -7.154 1.282 1.00 30.42 N ATOM 1190 CA ARG A 73 14.374 -6.622 2.639 1.00 51.43 C ATOM 1191 C ARG A 73 15.504 -5.621 2.863 1.00 30.14 C ATOM 1192 O ARG A 73 16.676 -5.994 2.925 1.00 74.54 O ATOM 1193 CB ARG A 73 14.474 -7.757 3.659 1.00 74.33 C ATOM 1194 CG ARG A 73 15.689 -8.649 3.461 1.00 54.31 C ATOM 1195 CD ARG A 73 16.534 -8.726 4.722 1.00 4.34 C ATOM 1196 NE ARG A 73 17.014 -10.081 4.978 1.00 32.30 N ATOM 1197 CZ ARG A 73 16.262 -11.039 5.509 1.00 52.11 C ATOM 1198 NH1 ARG A 73 15.002 -10.791 5.838 1.00 14.11 N ATOM 1199 NH2 ARG A 73 16.770 -12.248 5.711 1.00 51.10 N ATOM 0 H ARG A 73 15.185 -7.797 1.104 1.00 30.42 H new ATOM 0 HA ARG A 73 13.423 -6.107 2.772 1.00 51.43 H new ATOM 0 HB2 ARG A 73 14.506 -7.331 4.662 1.00 74.33 H new ATOM 0 HB3 ARG A 73 13.573 -8.367 3.601 1.00 74.33 H new ATOM 0 HG2 ARG A 73 15.364 -9.650 3.177 1.00 54.31 H new ATOM 0 HG3 ARG A 73 16.294 -8.265 2.639 1.00 54.31 H new ATOM 0 HD2 ARG A 73 17.385 -8.051 4.630 1.00 4.34 H new ATOM 0 HD3 ARG A 73 15.946 -8.383 5.573 1.00 4.34 H new ATOM 0 HE ARG A 73 17.979 -10.304 4.736 1.00 32.30 H new ATOM 0 HH11 ARG A 73 14.608 -9.863 5.684 1.00 14.11 H new ATOM 0 HH12 ARG A 73 14.427 -11.528 6.245 1.00 14.11 H new ATOM 0 HH21 ARG A 73 17.739 -12.443 5.459 1.00 51.10 H new ATOM 0 HH22 ARG A 73 16.192 -12.983 6.119 1.00 51.10 H new ATOM 1213 N LYS A 74 15.144 -4.348 2.985 1.00 4.20 N ATOM 1214 CA LYS A 74 16.126 -3.292 3.204 1.00 64.44 C ATOM 1215 C LYS A 74 16.904 -3.532 4.494 1.00 42.32 C ATOM 1216 O LYS A 74 16.436 -4.231 5.393 1.00 50.52 O ATOM 1217 CB LYS A 74 15.436 -1.928 3.258 1.00 54.14 C ATOM 1218 CG LYS A 74 15.456 -1.183 1.934 1.00 3.12 C ATOM 1219 CD LYS A 74 15.510 0.321 2.142 1.00 52.41 C ATOM 1220 CE LYS A 74 16.784 0.919 1.566 1.00 65.42 C ATOM 1221 NZ LYS A 74 17.243 2.103 2.344 1.00 63.51 N ATOM 0 H LYS A 74 14.179 -4.022 2.936 1.00 4.20 H new ATOM 0 HA LYS A 74 16.827 -3.304 2.370 1.00 64.44 H new ATOM 0 HB2 LYS A 74 14.401 -2.066 3.572 1.00 54.14 H new ATOM 0 HB3 LYS A 74 15.921 -1.315 4.018 1.00 54.14 H new ATOM 0 HG2 LYS A 74 16.319 -1.502 1.349 1.00 3.12 H new ATOM 0 HG3 LYS A 74 14.567 -1.440 1.357 1.00 3.12 H new ATOM 0 HD2 LYS A 74 14.644 0.786 1.671 1.00 52.41 H new ATOM 0 HD3 LYS A 74 15.452 0.544 3.207 1.00 52.41 H new ATOM 0 HE2 LYS A 74 17.569 0.163 1.559 1.00 65.42 H new ATOM 0 HE3 LYS A 74 16.612 1.210 0.530 1.00 65.42 H new ATOM 0 HZ1 LYS A 74 18.114 2.481 1.919 1.00 63.51 H new ATOM 0 HZ2 LYS A 74 16.505 2.835 2.330 1.00 63.51 H new ATOM 0 HZ3 LYS A 74 17.432 1.821 3.327 1.00 63.51 H new ATOM 1235 N LYS A 75 18.094 -2.946 4.579 1.00 31.23 N ATOM 1236 CA LYS A 75 18.936 -3.093 5.760 1.00 2.13 C ATOM 1237 C LYS A 75 20.137 -2.155 5.692 1.00 42.11 C ATOM 1238 O LYS A 75 20.565 -1.605 6.706 1.00 42.30 O ATOM 1239 CB LYS A 75 19.413 -4.541 5.895 1.00 4.32 C ATOM 1240 CG LYS A 75 19.171 -5.135 7.272 1.00 61.23 C ATOM 1241 CD LYS A 75 20.377 -4.953 8.178 1.00 0.20 C ATOM 1242 CE LYS A 75 20.972 -6.291 8.590 1.00 42.41 C ATOM 1243 NZ LYS A 75 21.825 -6.168 9.804 1.00 5.21 N ATOM 0 H LYS A 75 18.497 -2.365 3.844 1.00 31.23 H new ATOM 0 HA LYS A 75 18.341 -2.830 6.635 1.00 2.13 H new ATOM 0 HB2 LYS A 75 18.905 -5.153 5.150 1.00 4.32 H new ATOM 0 HB3 LYS A 75 20.479 -4.586 5.671 1.00 4.32 H new ATOM 0 HG2 LYS A 75 18.300 -4.662 7.725 1.00 61.23 H new ATOM 0 HG3 LYS A 75 18.944 -6.197 7.176 1.00 61.23 H new ATOM 0 HD2 LYS A 75 21.133 -4.360 7.664 1.00 0.20 H new ATOM 0 HD3 LYS A 75 20.084 -4.395 9.067 1.00 0.20 H new ATOM 0 HE2 LYS A 75 20.169 -7.002 8.781 1.00 42.41 H new ATOM 0 HE3 LYS A 75 21.565 -6.693 7.769 1.00 42.41 H new ATOM 0 HZ1 LYS A 75 22.212 -7.101 10.053 1.00 5.21 H new ATOM 0 HZ2 LYS A 75 22.606 -5.509 9.614 1.00 5.21 H new ATOM 0 HZ3 LYS A 75 21.253 -5.808 10.595 1.00 5.21 H new