USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=9 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 Set 1.1: A 51 GLN : amide:sc= 0.494 K(o=1,f=-1.4) USER MOD Set 1.2: A 52 SER OG : rot -32:sc= 0.529 USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.231) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0404) USER MOD Single : A 23 LYS NZ :NH3+ -109:sc= -0.166 (180deg=-2.27!) USER MOD Single : A 25 MET CE :methyl 178:sc= -1.57 (180deg=-1.66) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 34 MET CE :methyl 166:sc= -1.22 (180deg=-1.89) USER MOD Single : A 42 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.06) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 88:sc= 1.36 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=-2.6) 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 4.293 -1.258 -1.047 1.00 31.10 N ATOM 19 CA LYS A 2 5.661 -1.696 -0.794 1.00 54.43 C ATOM 20 C LYS A 2 6.138 -2.648 -1.886 1.00 33.11 C ATOM 21 O LYS A 2 6.968 -3.524 -1.640 1.00 15.43 O ATOM 22 CB LYS A 2 5.755 -2.380 0.571 1.00 10.24 C ATOM 23 CG LYS A 2 4.634 -3.370 0.834 1.00 31.32 C ATOM 24 CD LYS A 2 4.730 -3.964 2.230 1.00 52.33 C ATOM 25 CE LYS A 2 3.895 -5.229 2.356 1.00 40.10 C ATOM 26 NZ LYS A 2 4.487 -6.189 3.329 1.00 55.04 N ATOM 0 HA LYS A 2 6.304 -0.816 -0.797 1.00 54.43 H new ATOM 0 HB2 LYS A 2 6.711 -2.899 0.643 1.00 10.24 H new ATOM 0 HB3 LYS A 2 5.746 -1.619 1.351 1.00 10.24 H new ATOM 0 HG2 LYS A 2 3.672 -2.872 0.715 1.00 31.32 H new ATOM 0 HG3 LYS A 2 4.672 -4.169 0.094 1.00 31.32 H new ATOM 0 HD2 LYS A 2 5.771 -4.190 2.460 1.00 52.33 H new ATOM 0 HD3 LYS A 2 4.394 -3.230 2.963 1.00 52.33 H new ATOM 0 HE2 LYS A 2 2.885 -4.968 2.672 1.00 40.10 H new ATOM 0 HE3 LYS A 2 3.810 -5.707 1.380 1.00 40.10 H new ATOM 0 HZ1 LYS A 2 3.739 -6.805 3.708 1.00 55.04 H new ATOM 0 HZ2 LYS A 2 5.205 -6.770 2.850 1.00 55.04 H new ATOM 0 HZ3 LYS A 2 4.931 -5.663 4.109 1.00 55.04 H new ATOM 40 N ARG A 3 5.609 -2.471 -3.092 1.00 41.43 N ATOM 41 CA ARG A 3 5.982 -3.314 -4.221 1.00 73.44 C ATOM 42 C ARG A 3 6.073 -2.495 -5.505 1.00 71.35 C ATOM 43 O ARG A 3 5.572 -1.373 -5.575 1.00 43.40 O ATOM 44 CB ARG A 3 4.967 -4.446 -4.397 1.00 0.25 C ATOM 45 CG ARG A 3 3.540 -3.960 -4.591 1.00 42.40 C ATOM 46 CD ARG A 3 2.737 -4.059 -3.303 1.00 63.14 C ATOM 47 NE ARG A 3 1.503 -3.282 -3.367 1.00 13.42 N ATOM 48 CZ ARG A 3 0.727 -3.047 -2.314 1.00 70.12 C ATOM 49 NH1 ARG A 3 1.057 -3.527 -1.123 1.00 60.42 N ATOM 50 NH2 ARG A 3 -0.381 -2.330 -2.452 1.00 32.43 N ATOM 0 H ARG A 3 4.921 -1.751 -3.312 1.00 41.43 H new ATOM 0 HA ARG A 3 6.962 -3.742 -4.013 1.00 73.44 H new ATOM 0 HB2 ARG A 3 5.256 -5.051 -5.256 1.00 0.25 H new ATOM 0 HB3 ARG A 3 5.005 -5.096 -3.523 1.00 0.25 H new ATOM 0 HG2 ARG A 3 3.550 -2.926 -4.936 1.00 42.40 H new ATOM 0 HG3 ARG A 3 3.056 -4.551 -5.369 1.00 42.40 H new ATOM 0 HD2 ARG A 3 2.498 -5.104 -3.104 1.00 63.14 H new ATOM 0 HD3 ARG A 3 3.344 -3.707 -2.469 1.00 63.14 H new ATOM 0 HE ARG A 3 1.221 -2.898 -4.269 1.00 13.42 H new ATOM 0 HH11 ARG A 3 1.908 -4.078 -1.013 1.00 60.42 H new ATOM 0 HH12 ARG A 3 0.460 -3.345 -0.316 1.00 60.42 H new ATOM 0 HH21 ARG A 3 -0.638 -1.959 -3.367 1.00 32.43 H new ATOM 0 HH22 ARG A 3 -0.976 -2.150 -1.643 1.00 32.43 H new ATOM 64 N PHE A 4 6.716 -3.064 -6.520 1.00 32.42 N ATOM 65 CA PHE A 4 6.874 -2.387 -7.801 1.00 42.43 C ATOM 66 C PHE A 4 6.600 -3.342 -8.959 1.00 44.12 C ATOM 67 O PHE A 4 7.294 -4.345 -9.128 1.00 43.32 O ATOM 68 CB PHE A 4 8.285 -1.808 -7.925 1.00 63.23 C ATOM 69 CG PHE A 4 8.306 -0.354 -8.299 1.00 42.34 C ATOM 70 CD1 PHE A 4 7.565 0.571 -7.581 1.00 73.42 C ATOM 71 CD2 PHE A 4 9.068 0.089 -9.369 1.00 14.42 C ATOM 72 CE1 PHE A 4 7.582 1.909 -7.924 1.00 14.40 C ATOM 73 CE2 PHE A 4 9.089 1.427 -9.716 1.00 53.10 C ATOM 74 CZ PHE A 4 8.345 2.338 -8.992 1.00 5.42 C ATOM 0 H PHE A 4 7.136 -3.993 -6.479 1.00 32.42 H new ATOM 0 HA PHE A 4 6.150 -1.574 -7.845 1.00 42.43 H new ATOM 0 HB2 PHE A 4 8.807 -1.939 -6.977 1.00 63.23 H new ATOM 0 HB3 PHE A 4 8.837 -2.375 -8.674 1.00 63.23 H new ATOM 0 HD1 PHE A 4 6.967 0.242 -6.744 1.00 73.42 H new ATOM 0 HD2 PHE A 4 9.652 -0.619 -9.938 1.00 14.42 H new ATOM 0 HE1 PHE A 4 6.999 2.619 -7.357 1.00 14.40 H new ATOM 0 HE2 PHE A 4 9.686 1.759 -10.552 1.00 53.10 H new ATOM 0 HZ PHE A 4 8.360 3.384 -9.261 1.00 5.42 H new ATOM 84 N ASP A 5 5.584 -3.023 -9.753 1.00 61.32 N ATOM 85 CA ASP A 5 5.218 -3.852 -10.896 1.00 13.11 C ATOM 86 C ASP A 5 5.939 -3.387 -12.157 1.00 72.54 C ATOM 87 O ASP A 5 5.519 -2.429 -12.808 1.00 65.20 O ATOM 88 CB ASP A 5 3.705 -3.815 -11.116 1.00 15.25 C ATOM 89 CG ASP A 5 3.060 -5.175 -10.935 1.00 13.13 C ATOM 90 OD1 ASP A 5 3.268 -6.050 -11.801 1.00 1.40 O ATOM 91 OD2 ASP A 5 2.346 -5.364 -9.927 1.00 70.44 O ATOM 0 H ASP A 5 4.999 -2.197 -9.627 1.00 61.32 H new ATOM 0 HA ASP A 5 5.521 -4.877 -10.682 1.00 13.11 H new ATOM 0 HB2 ASP A 5 3.257 -3.108 -10.418 1.00 15.25 H new ATOM 0 HB3 ASP A 5 3.496 -3.448 -12.121 1.00 15.25 H new ATOM 96 N LEU A 6 7.026 -4.072 -12.497 1.00 54.41 N ATOM 97 CA LEU A 6 7.807 -3.729 -13.681 1.00 14.13 C ATOM 98 C LEU A 6 7.353 -4.544 -14.887 1.00 61.52 C ATOM 99 O LEU A 6 7.979 -4.504 -15.947 1.00 15.11 O ATOM 100 CB LEU A 6 9.295 -3.967 -13.420 1.00 41.22 C ATOM 101 CG LEU A 6 9.992 -2.942 -12.524 1.00 72.04 C ATOM 102 CD1 LEU A 6 9.781 -1.534 -13.059 1.00 72.25 C ATOM 103 CD2 LEU A 6 9.485 -3.052 -11.094 1.00 21.33 C ATOM 0 H LEU A 6 7.386 -4.868 -11.970 1.00 54.41 H new ATOM 0 HA LEU A 6 7.647 -2.673 -13.899 1.00 14.13 H new ATOM 0 HB2 LEU A 6 9.411 -4.953 -12.969 1.00 41.22 H new ATOM 0 HB3 LEU A 6 9.812 -3.992 -14.379 1.00 41.22 H new ATOM 0 HG LEU A 6 11.061 -3.153 -12.527 1.00 72.04 H new ATOM 0 HD11 LEU A 6 10.284 -0.818 -12.409 1.00 72.25 H new ATOM 0 HD12 LEU A 6 10.193 -1.462 -14.065 1.00 72.25 H new ATOM 0 HD13 LEU A 6 8.714 -1.311 -13.087 1.00 72.25 H new ATOM 0 HD21 LEU A 6 9.992 -2.315 -10.471 1.00 21.33 H new ATOM 0 HD22 LEU A 6 8.411 -2.867 -11.074 1.00 21.33 H new ATOM 0 HD23 LEU A 6 9.688 -4.052 -10.712 1.00 21.33 H new ATOM 115 N ARG A 7 6.261 -5.283 -14.719 1.00 52.53 N ATOM 116 CA ARG A 7 5.723 -6.107 -15.795 1.00 12.21 C ATOM 117 C ARG A 7 5.579 -5.297 -17.080 1.00 62.23 C ATOM 118 O ARG A 7 6.179 -5.608 -18.109 1.00 63.53 O ATOM 119 CB ARG A 7 4.366 -6.688 -15.391 1.00 45.12 C ATOM 120 CG ARG A 7 4.367 -8.202 -15.263 1.00 33.43 C ATOM 121 CD ARG A 7 3.158 -8.695 -14.482 1.00 63.41 C ATOM 122 NE ARG A 7 2.022 -8.981 -15.355 1.00 3.55 N ATOM 123 CZ ARG A 7 0.773 -9.097 -14.920 1.00 14.45 C ATOM 124 NH1 ARG A 7 0.500 -8.952 -13.630 1.00 72.11 N ATOM 125 NH2 ARG A 7 -0.208 -9.357 -15.775 1.00 65.22 N ATOM 0 H ARG A 7 5.732 -5.328 -13.848 1.00 52.53 H new ATOM 0 HA ARG A 7 6.421 -6.924 -15.977 1.00 12.21 H new ATOM 0 HB2 ARG A 7 4.062 -6.251 -14.440 1.00 45.12 H new ATOM 0 HB3 ARG A 7 3.620 -6.395 -16.130 1.00 45.12 H new ATOM 0 HG2 ARG A 7 4.369 -8.652 -16.256 1.00 33.43 H new ATOM 0 HG3 ARG A 7 5.281 -8.526 -14.764 1.00 33.43 H new ATOM 0 HD2 ARG A 7 3.426 -9.595 -13.929 1.00 63.41 H new ATOM 0 HD3 ARG A 7 2.870 -7.943 -13.747 1.00 63.41 H new ATOM 0 HE ARG A 7 2.198 -9.098 -16.353 1.00 3.55 H new ATOM 0 HH11 ARG A 7 1.251 -8.751 -12.969 1.00 72.11 H new ATOM 0 HH12 ARG A 7 -0.461 -9.042 -13.299 1.00 72.11 H new ATOM 0 HH21 ARG A 7 -0.003 -9.468 -16.768 1.00 65.22 H new ATOM 0 HH22 ARG A 7 -1.167 -9.446 -15.439 1.00 65.22 H new ATOM 139 N PRO A 8 4.764 -4.233 -17.022 1.00 24.30 N ATOM 140 CA PRO A 8 4.523 -3.357 -18.172 1.00 72.33 C ATOM 141 C PRO A 8 5.747 -2.523 -18.533 1.00 21.01 C ATOM 142 O PRO A 8 5.771 -1.850 -19.564 1.00 72.24 O ATOM 143 CB PRO A 8 3.382 -2.455 -17.697 1.00 54.41 C ATOM 144 CG PRO A 8 3.500 -2.444 -16.212 1.00 60.31 C ATOM 145 CD PRO A 8 4.017 -3.803 -15.828 1.00 71.34 C ATOM 0 HA PRO A 8 4.290 -3.923 -19.074 1.00 72.33 H new ATOM 0 HB2 PRO A 8 3.474 -1.450 -18.109 1.00 54.41 H new ATOM 0 HB3 PRO A 8 2.414 -2.842 -18.014 1.00 54.41 H new ATOM 0 HG2 PRO A 8 4.180 -1.660 -15.880 1.00 60.31 H new ATOM 0 HG3 PRO A 8 2.535 -2.247 -15.745 1.00 60.31 H new ATOM 0 HD2 PRO A 8 4.659 -3.755 -14.948 1.00 71.34 H new ATOM 0 HD3 PRO A 8 3.204 -4.491 -15.593 1.00 71.34 H new ATOM 153 N LEU A 9 6.763 -2.571 -17.678 1.00 33.20 N ATOM 154 CA LEU A 9 7.992 -1.820 -17.907 1.00 11.30 C ATOM 155 C LEU A 9 8.942 -2.594 -18.815 1.00 40.44 C ATOM 156 O LEU A 9 8.810 -3.806 -18.981 1.00 23.51 O ATOM 157 CB LEU A 9 8.679 -1.511 -16.576 1.00 4.51 C ATOM 158 CG LEU A 9 8.711 -0.039 -16.163 1.00 13.33 C ATOM 159 CD1 LEU A 9 7.814 0.197 -14.957 1.00 75.45 C ATOM 160 CD2 LEU A 9 10.136 0.401 -15.862 1.00 64.24 C ATOM 0 H LEU A 9 6.760 -3.122 -16.820 1.00 33.20 H new ATOM 0 HA LEU A 9 7.730 -0.884 -18.400 1.00 11.30 H new ATOM 0 HB2 LEU A 9 8.177 -2.077 -15.791 1.00 4.51 H new ATOM 0 HB3 LEU A 9 9.705 -1.876 -16.626 1.00 4.51 H new ATOM 0 HG LEU A 9 8.335 0.558 -16.994 1.00 13.33 H new ATOM 0 HD11 LEU A 9 7.850 1.250 -14.678 1.00 75.45 H new ATOM 0 HD12 LEU A 9 6.789 -0.078 -15.206 1.00 75.45 H new ATOM 0 HD13 LEU A 9 8.160 -0.412 -14.122 1.00 75.45 H new ATOM 0 HD21 LEU A 9 10.139 1.451 -15.570 1.00 64.24 H new ATOM 0 HD22 LEU A 9 10.539 -0.203 -15.049 1.00 64.24 H new ATOM 0 HD23 LEU A 9 10.753 0.270 -16.751 1.00 64.24 H new ATOM 172 N LYS A 10 9.901 -1.885 -19.401 1.00 2.42 N ATOM 173 CA LYS A 10 10.877 -2.504 -20.290 1.00 12.10 C ATOM 174 C LYS A 10 12.186 -2.777 -19.556 1.00 34.22 C ATOM 175 O LYS A 10 12.451 -2.197 -18.504 1.00 11.42 O ATOM 176 CB LYS A 10 11.137 -1.605 -21.501 1.00 0.33 C ATOM 177 CG LYS A 10 11.982 -0.383 -21.181 1.00 35.40 C ATOM 178 CD LYS A 10 12.153 0.510 -22.398 1.00 11.21 C ATOM 179 CE LYS A 10 10.932 1.389 -22.621 1.00 35.14 C ATOM 180 NZ LYS A 10 10.106 0.912 -23.765 1.00 21.35 N ATOM 0 H LYS A 10 10.023 -0.880 -19.276 1.00 2.42 H new ATOM 0 HA LYS A 10 10.468 -3.455 -20.632 1.00 12.10 H new ATOM 0 HB2 LYS A 10 11.635 -2.188 -22.276 1.00 0.33 H new ATOM 0 HB3 LYS A 10 10.182 -1.278 -21.912 1.00 0.33 H new ATOM 0 HG2 LYS A 10 11.514 0.183 -20.376 1.00 35.40 H new ATOM 0 HG3 LYS A 10 12.961 -0.700 -20.821 1.00 35.40 H new ATOM 0 HD2 LYS A 10 13.035 1.137 -22.269 1.00 11.21 H new ATOM 0 HD3 LYS A 10 12.325 -0.106 -23.281 1.00 11.21 H new ATOM 0 HE2 LYS A 10 10.325 1.403 -21.716 1.00 35.14 H new ATOM 0 HE3 LYS A 10 11.252 2.414 -22.807 1.00 35.14 H new ATOM 0 HZ1 LYS A 10 9.144 1.300 -23.684 1.00 21.35 H new ATOM 0 HZ2 LYS A 10 10.534 1.230 -24.658 1.00 21.35 H new ATOM 0 HZ3 LYS A 10 10.063 -0.127 -23.752 1.00 21.35 H new ATOM 194 N ALA A 11 13.000 -3.664 -20.118 1.00 45.45 N ATOM 195 CA ALA A 11 14.283 -4.011 -19.519 1.00 11.42 C ATOM 196 C ALA A 11 15.271 -2.854 -19.628 1.00 32.11 C ATOM 197 O ALA A 11 15.252 -2.098 -20.598 1.00 61.34 O ATOM 198 CB ALA A 11 14.853 -5.258 -20.177 1.00 61.23 C ATOM 0 H ALA A 11 12.794 -4.156 -20.988 1.00 45.45 H new ATOM 0 HA ALA A 11 14.118 -4.215 -18.461 1.00 11.42 H new ATOM 0 HB1 ALA A 11 15.811 -5.505 -19.720 1.00 61.23 H new ATOM 0 HB2 ALA A 11 14.161 -6.089 -20.042 1.00 61.23 H new ATOM 0 HB3 ALA A 11 14.996 -5.074 -21.242 1.00 61.23 H new ATOM 204 N GLY A 12 16.133 -2.722 -18.625 1.00 3.44 N ATOM 205 CA GLY A 12 17.116 -1.654 -18.627 1.00 42.13 C ATOM 206 C GLY A 12 16.733 -0.511 -17.708 1.00 63.10 C ATOM 207 O GLY A 12 17.565 -0.009 -16.951 1.00 61.52 O ATOM 0 H GLY A 12 16.168 -3.335 -17.811 1.00 3.44 H new ATOM 0 HA2 GLY A 12 18.083 -2.054 -18.321 1.00 42.13 H new ATOM 0 HA3 GLY A 12 17.235 -1.276 -19.642 1.00 42.13 H new ATOM 211 N ILE A 13 15.472 -0.098 -17.774 1.00 43.43 N ATOM 212 CA ILE A 13 14.982 0.994 -16.942 1.00 20.33 C ATOM 213 C ILE A 13 14.211 0.463 -15.738 1.00 31.01 C ATOM 214 O ILE A 13 14.113 1.129 -14.707 1.00 54.11 O ATOM 215 CB ILE A 13 14.073 1.946 -17.740 1.00 51.42 C ATOM 216 CG1 ILE A 13 14.733 2.323 -19.068 1.00 42.11 C ATOM 217 CG2 ILE A 13 13.764 3.192 -16.924 1.00 2.44 C ATOM 218 CD1 ILE A 13 13.892 3.247 -19.920 1.00 41.53 C ATOM 0 H ILE A 13 14.771 -0.503 -18.395 1.00 43.43 H new ATOM 0 HA ILE A 13 15.857 1.545 -16.597 1.00 20.33 H new ATOM 0 HB ILE A 13 13.135 1.434 -17.954 1.00 51.42 H new ATOM 0 HG12 ILE A 13 15.691 2.801 -18.865 1.00 42.11 H new ATOM 0 HG13 ILE A 13 14.943 1.414 -19.631 1.00 42.11 H new ATOM 0 HG21 ILE A 13 13.120 3.855 -17.502 1.00 2.44 H new ATOM 0 HG22 ILE A 13 13.257 2.907 -16.002 1.00 2.44 H new ATOM 0 HG23 ILE A 13 14.693 3.708 -16.682 1.00 2.44 H new ATOM 0 HD11 ILE A 13 14.422 3.472 -20.845 1.00 41.53 H new ATOM 0 HD12 ILE A 13 12.943 2.764 -20.154 1.00 41.53 H new ATOM 0 HD13 ILE A 13 13.703 4.172 -19.376 1.00 41.53 H new ATOM 230 N PHE A 14 13.666 -0.741 -15.875 1.00 64.51 N ATOM 231 CA PHE A 14 12.904 -1.363 -14.798 1.00 63.14 C ATOM 232 C PHE A 14 13.772 -1.555 -13.558 1.00 42.02 C ATOM 233 O PHE A 14 13.276 -1.539 -12.433 1.00 14.05 O ATOM 234 CB PHE A 14 12.342 -2.711 -15.255 1.00 64.00 C ATOM 235 CG PHE A 14 13.343 -3.829 -15.193 1.00 70.53 C ATOM 236 CD1 PHE A 14 14.506 -3.779 -15.945 1.00 12.21 C ATOM 237 CD2 PHE A 14 13.120 -4.932 -14.384 1.00 3.10 C ATOM 238 CE1 PHE A 14 15.429 -4.806 -15.890 1.00 71.21 C ATOM 239 CE2 PHE A 14 14.040 -5.962 -14.325 1.00 31.02 C ATOM 240 CZ PHE A 14 15.195 -5.900 -15.080 1.00 11.33 C ATOM 0 H PHE A 14 13.738 -1.306 -16.721 1.00 64.51 H new ATOM 0 HA PHE A 14 12.077 -0.700 -14.542 1.00 63.14 H new ATOM 0 HB2 PHE A 14 11.484 -2.967 -14.634 1.00 64.00 H new ATOM 0 HB3 PHE A 14 11.978 -2.616 -16.278 1.00 64.00 H new ATOM 0 HD1 PHE A 14 14.693 -2.927 -16.582 1.00 12.21 H new ATOM 0 HD2 PHE A 14 12.218 -4.987 -13.793 1.00 3.10 H new ATOM 0 HE1 PHE A 14 16.332 -4.753 -16.480 1.00 71.21 H new ATOM 0 HE2 PHE A 14 13.856 -6.815 -13.689 1.00 31.02 H new ATOM 0 HZ PHE A 14 15.914 -6.705 -15.037 1.00 11.33 H new ATOM 250 N GLU A 15 15.071 -1.737 -13.775 1.00 2.14 N ATOM 251 CA GLU A 15 16.008 -1.933 -12.675 1.00 20.44 C ATOM 252 C GLU A 15 16.406 -0.597 -12.054 1.00 65.41 C ATOM 253 O GLU A 15 16.690 -0.516 -10.859 1.00 34.03 O ATOM 254 CB GLU A 15 17.255 -2.673 -13.163 1.00 60.33 C ATOM 255 CG GLU A 15 18.365 -2.744 -12.129 1.00 24.25 C ATOM 256 CD GLU A 15 19.575 -1.915 -12.514 1.00 25.54 C ATOM 257 OE1 GLU A 15 20.047 -2.054 -13.662 1.00 3.42 O ATOM 258 OE2 GLU A 15 20.051 -1.130 -11.668 1.00 13.43 O ATOM 0 H GLU A 15 15.498 -1.753 -14.701 1.00 2.14 H new ATOM 0 HA GLU A 15 15.513 -2.535 -11.913 1.00 20.44 H new ATOM 0 HB2 GLU A 15 16.976 -3.686 -13.454 1.00 60.33 H new ATOM 0 HB3 GLU A 15 17.634 -2.178 -14.057 1.00 60.33 H new ATOM 0 HG2 GLU A 15 17.984 -2.399 -11.168 1.00 24.25 H new ATOM 0 HG3 GLU A 15 18.668 -3.783 -11.997 1.00 24.25 H new ATOM 265 N ARG A 16 16.427 0.447 -12.875 1.00 55.34 N ATOM 266 CA ARG A 16 16.792 1.779 -12.409 1.00 12.24 C ATOM 267 C ARG A 16 15.676 2.383 -11.561 1.00 2.14 C ATOM 268 O ARG A 16 15.930 2.971 -10.509 1.00 4.34 O ATOM 269 CB ARG A 16 17.096 2.694 -13.597 1.00 32.33 C ATOM 270 CG ARG A 16 18.581 2.846 -13.884 1.00 74.51 C ATOM 271 CD ARG A 16 18.854 2.924 -15.378 1.00 54.10 C ATOM 272 NE ARG A 16 19.794 3.992 -15.707 1.00 64.41 N ATOM 273 CZ ARG A 16 20.371 4.122 -16.897 1.00 1.14 C ATOM 274 NH1 ARG A 16 20.104 3.257 -17.865 1.00 60.20 N ATOM 275 NH2 ARG A 16 21.217 5.120 -17.119 1.00 54.24 N ATOM 0 H ARG A 16 16.195 0.396 -13.867 1.00 55.34 H new ATOM 0 HA ARG A 16 17.686 1.688 -11.792 1.00 12.24 H new ATOM 0 HB2 ARG A 16 16.602 2.299 -14.485 1.00 32.33 H new ATOM 0 HB3 ARG A 16 16.669 3.678 -13.405 1.00 32.33 H new ATOM 0 HG2 ARG A 16 18.957 3.746 -13.397 1.00 74.51 H new ATOM 0 HG3 ARG A 16 19.123 2.002 -13.457 1.00 74.51 H new ATOM 0 HD2 ARG A 16 19.253 1.970 -15.724 1.00 54.10 H new ATOM 0 HD3 ARG A 16 17.917 3.089 -15.910 1.00 54.10 H new ATOM 0 HE ARG A 16 20.020 4.675 -14.984 1.00 64.41 H new ATOM 0 HH11 ARG A 16 19.454 2.489 -17.698 1.00 60.20 H new ATOM 0 HH12 ARG A 16 20.548 3.359 -18.777 1.00 60.20 H new ATOM 0 HH21 ARG A 16 21.425 5.787 -16.376 1.00 54.24 H new ATOM 0 HH22 ARG A 16 21.660 5.220 -18.032 1.00 54.24 H new ATOM 289 N LEU A 17 14.441 2.234 -12.025 1.00 54.42 N ATOM 290 CA LEU A 17 13.285 2.765 -11.310 1.00 42.31 C ATOM 291 C LEU A 17 13.064 2.016 -10.000 1.00 70.32 C ATOM 292 O LEU A 17 12.469 2.547 -9.064 1.00 13.05 O ATOM 293 CB LEU A 17 12.033 2.671 -12.183 1.00 73.50 C ATOM 294 CG LEU A 17 11.347 3.995 -12.519 1.00 40.32 C ATOM 295 CD1 LEU A 17 10.956 4.732 -11.247 1.00 61.24 C ATOM 296 CD2 LEU A 17 12.254 4.861 -13.382 1.00 15.10 C ATOM 0 H LEU A 17 14.213 1.750 -12.893 1.00 54.42 H new ATOM 0 HA LEU A 17 13.481 3.812 -11.079 1.00 42.31 H new ATOM 0 HB2 LEU A 17 12.302 2.177 -13.117 1.00 73.50 H new ATOM 0 HB3 LEU A 17 11.311 2.028 -11.679 1.00 73.50 H new ATOM 0 HG LEU A 17 10.439 3.779 -13.083 1.00 40.32 H new ATOM 0 HD11 LEU A 17 10.469 5.672 -11.506 1.00 61.24 H new ATOM 0 HD12 LEU A 17 10.270 4.116 -10.666 1.00 61.24 H new ATOM 0 HD13 LEU A 17 11.849 4.937 -10.656 1.00 61.24 H new ATOM 0 HD21 LEU A 17 11.750 5.800 -13.612 1.00 15.10 H new ATOM 0 HD22 LEU A 17 13.179 5.068 -12.844 1.00 15.10 H new ATOM 0 HD23 LEU A 17 12.484 4.336 -14.309 1.00 15.10 H new ATOM 308 N GLU A 18 13.549 0.779 -9.942 1.00 44.54 N ATOM 309 CA GLU A 18 13.405 -0.042 -8.746 1.00 42.12 C ATOM 310 C GLU A 18 14.039 0.641 -7.538 1.00 23.12 C ATOM 311 O GLU A 18 13.600 0.451 -6.404 1.00 63.11 O ATOM 312 CB GLU A 18 14.044 -1.415 -8.963 1.00 63.14 C ATOM 313 CG GLU A 18 13.213 -2.566 -8.421 1.00 43.22 C ATOM 314 CD GLU A 18 12.877 -3.594 -9.484 1.00 13.22 C ATOM 315 OE1 GLU A 18 12.335 -3.202 -10.539 1.00 22.34 O ATOM 316 OE2 GLU A 18 13.156 -4.791 -9.260 1.00 55.50 O ATOM 0 H GLU A 18 14.045 0.324 -10.709 1.00 44.54 H new ATOM 0 HA GLU A 18 12.340 -0.172 -8.551 1.00 42.12 H new ATOM 0 HB2 GLU A 18 14.206 -1.566 -10.030 1.00 63.14 H new ATOM 0 HB3 GLU A 18 15.024 -1.430 -8.486 1.00 63.14 H new ATOM 0 HG2 GLU A 18 13.756 -3.051 -7.610 1.00 43.22 H new ATOM 0 HG3 GLU A 18 12.289 -2.174 -7.995 1.00 43.22 H new ATOM 323 N GLU A 19 15.075 1.436 -7.790 1.00 74.31 N ATOM 324 CA GLU A 19 15.770 2.145 -6.723 1.00 11.42 C ATOM 325 C GLU A 19 15.007 3.404 -6.320 1.00 5.40 C ATOM 326 O GLU A 19 15.091 3.856 -5.177 1.00 31.41 O ATOM 327 CB GLU A 19 17.188 2.514 -7.164 1.00 72.05 C ATOM 328 CG GLU A 19 17.898 3.456 -6.207 1.00 22.32 C ATOM 329 CD GLU A 19 17.994 4.871 -6.744 1.00 32.44 C ATOM 330 OE1 GLU A 19 18.193 5.028 -7.966 1.00 51.34 O ATOM 331 OE2 GLU A 19 17.870 5.820 -5.942 1.00 21.33 O ATOM 0 H GLU A 19 15.451 1.605 -8.723 1.00 74.31 H new ATOM 0 HA GLU A 19 15.827 1.483 -5.859 1.00 11.42 H new ATOM 0 HB2 GLU A 19 17.776 1.602 -7.266 1.00 72.05 H new ATOM 0 HB3 GLU A 19 17.144 2.977 -8.150 1.00 72.05 H new ATOM 0 HG2 GLU A 19 17.368 3.468 -5.255 1.00 22.32 H new ATOM 0 HG3 GLU A 19 18.901 3.078 -6.008 1.00 22.32 H new ATOM 338 N LEU A 20 14.265 3.967 -7.267 1.00 10.42 N ATOM 339 CA LEU A 20 13.487 5.175 -7.012 1.00 43.12 C ATOM 340 C LEU A 20 12.458 4.938 -5.912 1.00 74.01 C ATOM 341 O LEU A 20 12.183 5.825 -5.104 1.00 0.51 O ATOM 342 CB LEU A 20 12.786 5.633 -8.292 1.00 44.34 C ATOM 343 CG LEU A 20 13.223 6.989 -8.848 1.00 51.30 C ATOM 344 CD1 LEU A 20 14.231 6.806 -9.972 1.00 3.34 C ATOM 345 CD2 LEU A 20 12.017 7.779 -9.335 1.00 12.52 C ATOM 0 H LEU A 20 14.185 3.607 -8.218 1.00 10.42 H new ATOM 0 HA LEU A 20 14.172 5.956 -6.681 1.00 43.12 H new ATOM 0 HB2 LEU A 20 12.948 4.878 -9.061 1.00 44.34 H new ATOM 0 HB3 LEU A 20 11.713 5.669 -8.102 1.00 44.34 H new ATOM 0 HG LEU A 20 13.702 7.551 -8.046 1.00 51.30 H new ATOM 0 HD11 LEU A 20 14.530 7.782 -10.355 1.00 3.34 H new ATOM 0 HD12 LEU A 20 15.108 6.281 -9.593 1.00 3.34 H new ATOM 0 HD13 LEU A 20 13.779 6.224 -10.775 1.00 3.34 H new ATOM 0 HD21 LEU A 20 12.347 8.741 -9.727 1.00 12.52 H new ATOM 0 HD22 LEU A 20 11.510 7.221 -10.122 1.00 12.52 H new ATOM 0 HD23 LEU A 20 11.329 7.942 -8.505 1.00 12.52 H new ATOM 357 N ILE A 21 11.893 3.735 -5.887 1.00 2.45 N ATOM 358 CA ILE A 21 10.897 3.381 -4.883 1.00 72.05 C ATOM 359 C ILE A 21 11.555 2.806 -3.634 1.00 31.20 C ATOM 360 O ILE A 21 11.076 3.010 -2.519 1.00 62.00 O ATOM 361 CB ILE A 21 9.884 2.359 -5.433 1.00 14.41 C ATOM 362 CG1 ILE A 21 8.796 2.078 -4.394 1.00 70.12 C ATOM 363 CG2 ILE A 21 10.591 1.072 -5.829 1.00 42.21 C ATOM 364 CD1 ILE A 21 7.954 3.289 -4.058 1.00 30.45 C ATOM 0 H ILE A 21 12.108 2.990 -6.550 1.00 2.45 H new ATOM 0 HA ILE A 21 10.371 4.299 -4.622 1.00 72.05 H new ATOM 0 HB ILE A 21 9.412 2.779 -6.322 1.00 14.41 H new ATOM 0 HG12 ILE A 21 8.146 1.286 -4.765 1.00 70.12 H new ATOM 0 HG13 ILE A 21 9.263 1.706 -3.482 1.00 70.12 H new ATOM 0 HG21 ILE A 21 9.862 0.360 -6.216 1.00 42.21 H new ATOM 0 HG22 ILE A 21 11.332 1.286 -6.599 1.00 42.21 H new ATOM 0 HG23 ILE A 21 11.087 0.646 -4.957 1.00 42.21 H new ATOM 0 HD11 ILE A 21 7.204 3.016 -3.316 1.00 30.45 H new ATOM 0 HD12 ILE A 21 8.592 4.076 -3.656 1.00 30.45 H new ATOM 0 HD13 ILE A 21 7.458 3.649 -4.960 1.00 30.45 H new ATOM 376 N GLU A 22 12.656 2.087 -3.829 1.00 43.32 N ATOM 377 CA GLU A 22 13.381 1.484 -2.717 1.00 72.51 C ATOM 378 C GLU A 22 13.764 2.537 -1.681 1.00 72.24 C ATOM 379 O GLU A 22 13.932 2.231 -0.501 1.00 3.13 O ATOM 380 CB GLU A 22 14.636 0.771 -3.224 1.00 63.11 C ATOM 381 CG GLU A 22 14.912 -0.549 -2.524 1.00 32.04 C ATOM 382 CD GLU A 22 15.066 -1.704 -3.494 1.00 54.33 C ATOM 383 OE1 GLU A 22 15.521 -1.466 -4.632 1.00 70.24 O ATOM 384 OE2 GLU A 22 14.730 -2.845 -3.115 1.00 23.51 O ATOM 0 H GLU A 22 13.065 1.908 -4.746 1.00 43.32 H new ATOM 0 HA GLU A 22 12.724 0.755 -2.242 1.00 72.51 H new ATOM 0 HB2 GLU A 22 14.534 0.590 -4.294 1.00 63.11 H new ATOM 0 HB3 GLU A 22 15.495 1.429 -3.093 1.00 63.11 H new ATOM 0 HG2 GLU A 22 15.820 -0.457 -1.928 1.00 32.04 H new ATOM 0 HG3 GLU A 22 14.098 -0.766 -1.833 1.00 32.04 H new ATOM 391 N LYS A 23 13.900 3.779 -2.132 1.00 44.14 N ATOM 392 CA LYS A 23 14.263 4.880 -1.247 1.00 72.50 C ATOM 393 C LYS A 23 13.153 5.154 -0.238 1.00 33.14 C ATOM 394 O LYS A 23 13.418 5.385 0.942 1.00 74.24 O ATOM 395 CB LYS A 23 14.550 6.143 -2.061 1.00 51.03 C ATOM 396 CG LYS A 23 16.015 6.545 -2.064 1.00 15.43 C ATOM 397 CD LYS A 23 16.783 5.846 -3.173 1.00 1.44 C ATOM 398 CE LYS A 23 18.279 5.842 -2.897 1.00 31.12 C ATOM 399 NZ LYS A 23 18.609 5.117 -1.638 1.00 53.33 N ATOM 0 H LYS A 23 13.764 4.049 -3.106 1.00 44.14 H new ATOM 0 HA LYS A 23 15.163 4.594 -0.703 1.00 72.50 H new ATOM 0 HB2 LYS A 23 14.223 5.985 -3.089 1.00 51.03 H new ATOM 0 HB3 LYS A 23 13.957 6.965 -1.661 1.00 51.03 H new ATOM 0 HG2 LYS A 23 16.097 7.625 -2.188 1.00 15.43 H new ATOM 0 HG3 LYS A 23 16.462 6.300 -1.101 1.00 15.43 H new ATOM 0 HD2 LYS A 23 16.427 4.820 -3.273 1.00 1.44 H new ATOM 0 HD3 LYS A 23 16.588 6.345 -4.122 1.00 1.44 H new ATOM 0 HE2 LYS A 23 18.801 5.375 -3.732 1.00 31.12 H new ATOM 0 HE3 LYS A 23 18.639 6.869 -2.830 1.00 31.12 H new ATOM 0 HZ1 LYS A 23 18.910 5.799 -0.913 1.00 53.33 H new ATOM 0 HZ2 LYS A 23 17.769 4.603 -1.303 1.00 53.33 H new ATOM 0 HZ3 LYS A 23 19.379 4.441 -1.818 1.00 53.33 H new ATOM 413 N GLU A 24 11.910 5.125 -0.709 1.00 11.31 N ATOM 414 CA GLU A 24 10.761 5.370 0.154 1.00 15.52 C ATOM 415 C GLU A 24 10.546 4.207 1.118 1.00 75.23 C ATOM 416 O GLU A 24 10.003 4.382 2.208 1.00 1.42 O ATOM 417 CB GLU A 24 9.501 5.590 -0.686 1.00 41.24 C ATOM 418 CG GLU A 24 8.639 6.744 -0.202 1.00 5.22 C ATOM 419 CD GLU A 24 7.385 6.277 0.511 1.00 63.32 C ATOM 420 OE1 GLU A 24 6.432 5.857 -0.178 1.00 64.31 O ATOM 421 OE2 GLU A 24 7.358 6.331 1.758 1.00 35.23 O ATOM 0 H GLU A 24 11.674 4.934 -1.683 1.00 11.31 H new ATOM 0 HA GLU A 24 10.962 6.269 0.736 1.00 15.52 H new ATOM 0 HB2 GLU A 24 9.792 5.774 -1.720 1.00 41.24 H new ATOM 0 HB3 GLU A 24 8.907 4.676 -0.680 1.00 41.24 H new ATOM 0 HG2 GLU A 24 9.223 7.371 0.472 1.00 5.22 H new ATOM 0 HG3 GLU A 24 8.359 7.365 -1.053 1.00 5.22 H new ATOM 428 N MET A 25 10.975 3.018 0.706 1.00 54.32 N ATOM 429 CA MET A 25 10.830 1.825 1.532 1.00 12.52 C ATOM 430 C MET A 25 11.614 1.967 2.833 1.00 62.33 C ATOM 431 O MET A 25 12.649 2.632 2.874 1.00 31.40 O ATOM 432 CB MET A 25 11.305 0.589 0.768 1.00 64.42 C ATOM 433 CG MET A 25 10.346 0.142 -0.323 1.00 34.10 C ATOM 434 SD MET A 25 9.303 -1.237 0.191 1.00 41.30 S ATOM 435 CE MET A 25 8.604 -0.586 1.706 1.00 22.03 C ATOM 0 H MET A 25 11.426 2.855 -0.195 1.00 54.32 H new ATOM 0 HA MET A 25 9.774 1.708 1.776 1.00 12.52 H new ATOM 0 HB2 MET A 25 12.277 0.799 0.322 1.00 64.42 H new ATOM 0 HB3 MET A 25 11.448 -0.230 1.472 1.00 64.42 H new ATOM 0 HG2 MET A 25 9.714 0.982 -0.613 1.00 34.10 H new ATOM 0 HG3 MET A 25 10.916 -0.148 -1.206 1.00 34.10 H new ATOM 0 HE1 MET A 25 7.907 -1.311 2.126 1.00 22.03 H new ATOM 0 HE2 MET A 25 9.403 -0.394 2.422 1.00 22.03 H new ATOM 0 HE3 MET A 25 8.076 0.343 1.493 1.00 22.03 H new ATOM 445 N GLN A 26 11.114 1.337 3.891 1.00 4.44 N ATOM 446 CA GLN A 26 11.769 1.395 5.193 1.00 21.20 C ATOM 447 C GLN A 26 13.110 0.668 5.161 1.00 53.44 C ATOM 448 O GLN A 26 13.381 -0.147 4.278 1.00 15.34 O ATOM 449 CB GLN A 26 10.869 0.782 6.268 1.00 63.15 C ATOM 450 CG GLN A 26 10.234 1.811 7.188 1.00 34.13 C ATOM 451 CD GLN A 26 8.721 1.710 7.221 1.00 64.32 C ATOM 452 OE1 GLN A 26 8.156 0.939 7.997 1.00 12.21 O ATOM 453 NE2 GLN A 26 8.057 2.489 6.376 1.00 43.53 N ATOM 0 H GLN A 26 10.259 0.781 3.873 1.00 4.44 H new ATOM 0 HA GLN A 26 11.950 2.442 5.434 1.00 21.20 H new ATOM 0 HB2 GLN A 26 10.081 0.204 5.785 1.00 63.15 H new ATOM 0 HB3 GLN A 26 11.455 0.084 6.866 1.00 63.15 H new ATOM 0 HG2 GLN A 26 10.625 1.681 8.197 1.00 34.13 H new ATOM 0 HG3 GLN A 26 10.521 2.811 6.861 1.00 34.13 H new ATOM 0 HE21 GLN A 26 8.566 3.113 5.750 1.00 43.53 H new ATOM 0 HE22 GLN A 26 7.038 2.463 6.352 1.00 43.53 H new ATOM 462 N PRO A 27 13.970 0.969 6.144 1.00 4.33 N ATOM 463 CA PRO A 27 15.297 0.356 6.250 1.00 24.44 C ATOM 464 C PRO A 27 15.225 -1.119 6.632 1.00 63.14 C ATOM 465 O PRO A 27 16.238 -1.817 6.644 1.00 5.44 O ATOM 466 CB PRO A 27 15.974 1.163 7.362 1.00 74.45 C ATOM 467 CG PRO A 27 14.849 1.689 8.185 1.00 44.51 C ATOM 468 CD PRO A 27 13.714 1.932 7.229 1.00 21.52 C ATOM 0 HA PRO A 27 15.833 0.379 5.301 1.00 24.44 H new ATOM 0 HB2 PRO A 27 16.641 0.537 7.956 1.00 74.45 H new ATOM 0 HB3 PRO A 27 16.578 1.973 6.952 1.00 74.45 H new ATOM 0 HG2 PRO A 27 14.563 0.974 8.957 1.00 44.51 H new ATOM 0 HG3 PRO A 27 15.135 2.610 8.693 1.00 44.51 H new ATOM 0 HD2 PRO A 27 12.747 1.758 7.701 1.00 21.52 H new ATOM 0 HD3 PRO A 27 13.710 2.959 6.863 1.00 21.52 H new ATOM 476 N ASN A 28 14.020 -1.587 6.941 1.00 25.32 N ATOM 477 CA ASN A 28 13.817 -2.980 7.323 1.00 73.01 C ATOM 478 C ASN A 28 12.484 -3.500 6.793 1.00 40.05 C ATOM 479 O ASN A 28 11.833 -4.328 7.429 1.00 54.24 O ATOM 480 CB ASN A 28 13.864 -3.126 8.845 1.00 2.53 C ATOM 481 CG ASN A 28 14.524 -4.419 9.282 1.00 33.31 C ATOM 482 OD1 ASN A 28 13.953 -5.500 9.136 1.00 34.24 O ATOM 483 ND2 ASN A 28 15.733 -4.314 9.822 1.00 74.24 N ATOM 0 H ASN A 28 13.170 -1.023 6.934 1.00 25.32 H new ATOM 0 HA ASN A 28 14.620 -3.572 6.883 1.00 73.01 H new ATOM 0 HB2 ASN A 28 14.406 -2.282 9.272 1.00 2.53 H new ATOM 0 HB3 ASN A 28 12.850 -3.087 9.242 1.00 2.53 H new ATOM 0 HD21 ASN A 28 16.226 -5.150 10.135 1.00 74.24 H new ATOM 0 HD22 ASN A 28 16.168 -3.397 9.923 1.00 74.24 H new ATOM 490 N GLU A 29 12.086 -3.008 5.623 1.00 22.32 N ATOM 491 CA GLU A 29 10.831 -3.424 5.008 1.00 41.41 C ATOM 492 C GLU A 29 11.088 -4.320 3.800 1.00 32.53 C ATOM 493 O GLU A 29 12.222 -4.452 3.340 1.00 2.42 O ATOM 494 CB GLU A 29 10.016 -2.200 4.584 1.00 33.12 C ATOM 495 CG GLU A 29 8.768 -1.980 5.423 1.00 3.32 C ATOM 496 CD GLU A 29 7.592 -2.812 4.950 1.00 43.22 C ATOM 497 OE1 GLU A 29 7.543 -3.136 3.745 1.00 73.13 O ATOM 498 OE2 GLU A 29 6.722 -3.138 5.783 1.00 20.54 O ATOM 0 H GLU A 29 12.614 -2.322 5.083 1.00 22.32 H new ATOM 0 HA GLU A 29 10.265 -3.992 5.746 1.00 41.41 H new ATOM 0 HB2 GLU A 29 10.647 -1.314 4.648 1.00 33.12 H new ATOM 0 HB3 GLU A 29 9.726 -2.311 3.539 1.00 33.12 H new ATOM 0 HG2 GLU A 29 8.986 -2.224 6.463 1.00 3.32 H new ATOM 0 HG3 GLU A 29 8.497 -0.925 5.394 1.00 3.32 H new ATOM 505 N VAL A 30 10.025 -4.937 3.292 1.00 45.33 N ATOM 506 CA VAL A 30 10.134 -5.821 2.138 1.00 43.15 C ATOM 507 C VAL A 30 9.713 -5.108 0.857 1.00 31.25 C ATOM 508 O VAL A 30 8.849 -4.233 0.878 1.00 15.53 O ATOM 509 CB VAL A 30 9.273 -7.085 2.316 1.00 74.12 C ATOM 510 CG1 VAL A 30 7.801 -6.762 2.108 1.00 12.11 C ATOM 511 CG2 VAL A 30 9.727 -8.178 1.360 1.00 31.12 C ATOM 0 H VAL A 30 9.079 -4.841 3.662 1.00 45.33 H new ATOM 0 HA VAL A 30 11.182 -6.112 2.060 1.00 43.15 H new ATOM 0 HB VAL A 30 9.400 -7.449 3.335 1.00 74.12 H new ATOM 0 HG11 VAL A 30 7.208 -7.667 2.238 1.00 12.11 H new ATOM 0 HG12 VAL A 30 7.486 -6.014 2.836 1.00 12.11 H new ATOM 0 HG13 VAL A 30 7.653 -6.372 1.101 1.00 12.11 H new ATOM 0 HG21 VAL A 30 9.108 -9.064 1.500 1.00 31.12 H new ATOM 0 HG22 VAL A 30 9.631 -7.826 0.333 1.00 31.12 H new ATOM 0 HG23 VAL A 30 10.769 -8.428 1.562 1.00 31.12 H new ATOM 521 N ALA A 31 10.329 -5.490 -0.256 1.00 63.13 N ATOM 522 CA ALA A 31 10.016 -4.889 -1.547 1.00 24.40 C ATOM 523 C ALA A 31 9.787 -5.959 -2.609 1.00 60.22 C ATOM 524 O ALA A 31 10.714 -6.671 -2.997 1.00 2.21 O ATOM 525 CB ALA A 31 11.132 -3.948 -1.975 1.00 63.05 C ATOM 0 H ALA A 31 11.048 -6.213 -0.290 1.00 63.13 H new ATOM 0 HA ALA A 31 9.094 -4.317 -1.440 1.00 24.40 H new ATOM 0 HB1 ALA A 31 10.885 -3.506 -2.940 1.00 63.05 H new ATOM 0 HB2 ALA A 31 11.246 -3.158 -1.233 1.00 63.05 H new ATOM 0 HB3 ALA A 31 12.065 -4.505 -2.059 1.00 63.05 H new ATOM 531 N ILE A 32 8.547 -6.068 -3.075 1.00 44.51 N ATOM 532 CA ILE A 32 8.198 -7.051 -4.093 1.00 14.42 C ATOM 533 C ILE A 32 8.241 -6.437 -5.488 1.00 43.11 C ATOM 534 O ILE A 32 7.375 -5.644 -5.857 1.00 13.35 O ATOM 535 CB ILE A 32 6.796 -7.641 -3.847 1.00 43.34 C ATOM 536 CG1 ILE A 32 6.762 -8.392 -2.515 1.00 74.10 C ATOM 537 CG2 ILE A 32 6.402 -8.562 -4.992 1.00 32.21 C ATOM 538 CD1 ILE A 32 5.645 -7.944 -1.598 1.00 24.33 C ATOM 0 H ILE A 32 7.768 -5.488 -2.764 1.00 44.51 H new ATOM 0 HA ILE A 32 8.937 -7.850 -4.028 1.00 14.42 H new ATOM 0 HB ILE A 32 6.076 -6.824 -3.800 1.00 43.34 H new ATOM 0 HG12 ILE A 32 6.655 -9.459 -2.711 1.00 74.10 H new ATOM 0 HG13 ILE A 32 7.716 -8.256 -2.006 1.00 74.10 H new ATOM 0 HG21 ILE A 32 5.409 -8.971 -4.805 1.00 32.21 H new ATOM 0 HG22 ILE A 32 6.392 -7.999 -5.925 1.00 32.21 H new ATOM 0 HG23 ILE A 32 7.122 -9.377 -5.068 1.00 32.21 H new ATOM 0 HD11 ILE A 32 5.681 -8.519 -0.673 1.00 24.33 H new ATOM 0 HD12 ILE A 32 5.763 -6.884 -1.372 1.00 24.33 H new ATOM 0 HD13 ILE A 32 4.685 -8.106 -2.088 1.00 24.33 H new ATOM 550 N PHE A 33 9.255 -6.811 -6.261 1.00 44.53 N ATOM 551 CA PHE A 33 9.412 -6.298 -7.617 1.00 42.34 C ATOM 552 C PHE A 33 9.070 -7.370 -8.647 1.00 73.14 C ATOM 553 O PHE A 33 9.816 -8.331 -8.830 1.00 23.11 O ATOM 554 CB PHE A 33 10.844 -5.803 -7.836 1.00 75.10 C ATOM 555 CG PHE A 33 11.311 -4.836 -6.786 1.00 33.43 C ATOM 556 CD1 PHE A 33 10.466 -3.844 -6.314 1.00 24.22 C ATOM 557 CD2 PHE A 33 12.594 -4.920 -6.270 1.00 31.11 C ATOM 558 CE1 PHE A 33 10.894 -2.953 -5.348 1.00 42.00 C ATOM 559 CE2 PHE A 33 13.027 -4.032 -5.303 1.00 42.25 C ATOM 560 CZ PHE A 33 12.176 -3.048 -4.841 1.00 54.43 C ATOM 0 H PHE A 33 9.980 -7.467 -5.972 1.00 44.53 H new ATOM 0 HA PHE A 33 8.723 -5.463 -7.744 1.00 42.34 H new ATOM 0 HB2 PHE A 33 11.517 -6.660 -7.855 1.00 75.10 H new ATOM 0 HB3 PHE A 33 10.909 -5.325 -8.813 1.00 75.10 H new ATOM 0 HD1 PHE A 33 9.462 -3.766 -6.705 1.00 24.22 H new ATOM 0 HD2 PHE A 33 13.264 -5.688 -6.627 1.00 31.11 H new ATOM 0 HE1 PHE A 33 10.227 -2.183 -4.990 1.00 42.00 H new ATOM 0 HE2 PHE A 33 14.030 -4.108 -4.909 1.00 42.25 H new ATOM 0 HZ PHE A 33 12.512 -2.354 -4.085 1.00 54.43 H new ATOM 570 N MET A 34 7.935 -7.198 -9.317 1.00 51.44 N ATOM 571 CA MET A 34 7.493 -8.150 -10.330 1.00 3.04 C ATOM 572 C MET A 34 8.196 -7.895 -11.659 1.00 51.03 C ATOM 573 O MET A 34 8.318 -6.751 -12.099 1.00 24.43 O ATOM 574 CB MET A 34 5.977 -8.063 -10.516 1.00 2.24 C ATOM 575 CG MET A 34 5.350 -9.356 -11.010 1.00 63.13 C ATOM 576 SD MET A 34 3.556 -9.248 -11.153 1.00 61.03 S ATOM 577 CE MET A 34 3.083 -9.172 -9.428 1.00 11.25 C ATOM 0 H MET A 34 7.305 -6.408 -9.177 1.00 51.44 H new ATOM 0 HA MET A 34 7.752 -9.152 -9.989 1.00 3.04 H new ATOM 0 HB2 MET A 34 5.518 -7.786 -9.567 1.00 2.24 H new ATOM 0 HB3 MET A 34 5.751 -7.266 -11.224 1.00 2.24 H new ATOM 0 HG2 MET A 34 5.773 -9.612 -11.981 1.00 63.13 H new ATOM 0 HG3 MET A 34 5.608 -10.165 -10.326 1.00 63.13 H new ATOM 0 HE1 MET A 34 2.043 -8.856 -9.350 1.00 11.25 H new ATOM 0 HE2 MET A 34 3.198 -10.157 -8.975 1.00 11.25 H new ATOM 0 HE3 MET A 34 3.720 -8.457 -8.907 1.00 11.25 H new ATOM 587 N PHE A 35 8.656 -8.967 -12.295 1.00 60.25 N ATOM 588 CA PHE A 35 9.348 -8.859 -13.575 1.00 13.13 C ATOM 589 C PHE A 35 8.863 -9.930 -14.547 1.00 64.32 C ATOM 590 O PHE A 35 8.842 -11.116 -14.219 1.00 64.15 O ATOM 591 CB PHE A 35 10.859 -8.983 -13.373 1.00 44.32 C ATOM 592 CG PHE A 35 11.302 -10.366 -12.990 1.00 12.24 C ATOM 593 CD1 PHE A 35 11.031 -10.869 -11.727 1.00 40.13 C ATOM 594 CD2 PHE A 35 11.989 -11.163 -13.891 1.00 51.31 C ATOM 595 CE1 PHE A 35 11.436 -12.142 -11.371 1.00 44.52 C ATOM 596 CE2 PHE A 35 12.396 -12.436 -13.541 1.00 23.02 C ATOM 597 CZ PHE A 35 12.121 -12.926 -12.279 1.00 12.41 C ATOM 0 H PHE A 35 8.562 -9.921 -11.945 1.00 60.25 H new ATOM 0 HA PHE A 35 9.125 -7.880 -14.000 1.00 13.13 H new ATOM 0 HB2 PHE A 35 11.366 -8.690 -14.293 1.00 44.32 H new ATOM 0 HB3 PHE A 35 11.173 -8.282 -12.599 1.00 44.32 H new ATOM 0 HD1 PHE A 35 10.497 -10.259 -11.013 1.00 40.13 H new ATOM 0 HD2 PHE A 35 12.209 -10.785 -14.878 1.00 51.31 H new ATOM 0 HE1 PHE A 35 11.217 -12.523 -10.384 1.00 44.52 H new ATOM 0 HE2 PHE A 35 12.929 -13.048 -14.254 1.00 23.02 H new ATOM 0 HZ PHE A 35 12.441 -13.920 -12.003 1.00 12.41 H new ATOM 607 N GLU A 36 8.475 -9.502 -15.744 1.00 73.43 N ATOM 608 CA GLU A 36 7.989 -10.425 -16.764 1.00 2.10 C ATOM 609 C GLU A 36 9.033 -10.624 -17.859 1.00 24.33 C ATOM 610 O GLU A 36 8.897 -11.503 -18.710 1.00 20.54 O ATOM 611 CB GLU A 36 6.686 -9.905 -17.375 1.00 45.22 C ATOM 612 CG GLU A 36 6.848 -8.597 -18.131 1.00 44.22 C ATOM 613 CD GLU A 36 6.813 -8.784 -19.636 1.00 23.34 C ATOM 614 OE1 GLU A 36 5.921 -9.510 -20.122 1.00 32.34 O ATOM 615 OE2 GLU A 36 7.678 -8.206 -20.326 1.00 53.15 O ATOM 0 H GLU A 36 8.487 -8.523 -16.031 1.00 73.43 H new ATOM 0 HA GLU A 36 7.800 -11.387 -16.287 1.00 2.10 H new ATOM 0 HB2 GLU A 36 6.286 -10.659 -18.052 1.00 45.22 H new ATOM 0 HB3 GLU A 36 5.952 -9.768 -16.581 1.00 45.22 H new ATOM 0 HG2 GLU A 36 6.055 -7.910 -17.836 1.00 44.22 H new ATOM 0 HG3 GLU A 36 7.793 -8.133 -17.848 1.00 44.22 H new ATOM 688 N ASN A 42 19.373 -8.668 -13.428 1.00 33.14 N ATOM 689 CA ASN A 42 19.129 -7.251 -13.186 1.00 2.31 C ATOM 690 C ASN A 42 18.286 -7.050 -11.931 1.00 14.04 C ATOM 691 O ASN A 42 18.355 -6.004 -11.285 1.00 11.22 O ATOM 692 CB ASN A 42 18.429 -6.619 -14.391 1.00 31.41 C ATOM 693 CG ASN A 42 19.351 -5.719 -15.190 1.00 5.05 C ATOM 694 OD1 ASN A 42 19.477 -5.862 -16.406 1.00 32.12 O ATOM 695 ND2 ASN A 42 20.003 -4.785 -14.507 1.00 1.23 N ATOM 0 HA ASN A 42 20.092 -6.763 -13.037 1.00 2.31 H new ATOM 0 HB2 ASN A 42 18.044 -7.407 -15.039 1.00 31.41 H new ATOM 0 HB3 ASN A 42 17.571 -6.042 -14.047 1.00 31.41 H new ATOM 0 HD21 ASN A 42 20.639 -4.150 -14.990 1.00 1.23 H new ATOM 0 HD22 ASN A 42 19.868 -4.702 -13.499 1.00 1.23 H new ATOM 702 N ILE A 43 17.491 -8.059 -11.591 1.00 73.12 N ATOM 703 CA ILE A 43 16.635 -7.994 -10.413 1.00 23.13 C ATOM 704 C ILE A 43 17.433 -7.593 -9.176 1.00 73.32 C ATOM 705 O ILE A 43 17.134 -6.603 -8.508 1.00 71.04 O ATOM 706 CB ILE A 43 15.940 -9.342 -10.147 1.00 21.34 C ATOM 707 CG1 ILE A 43 14.629 -9.428 -10.930 1.00 54.01 C ATOM 708 CG2 ILE A 43 15.686 -9.523 -8.657 1.00 45.34 C ATOM 709 CD1 ILE A 43 13.609 -8.390 -10.517 1.00 0.31 C ATOM 0 H ILE A 43 17.422 -8.931 -12.115 1.00 73.12 H new ATOM 0 HA ILE A 43 15.877 -7.238 -10.615 1.00 23.13 H new ATOM 0 HB ILE A 43 16.596 -10.144 -10.484 1.00 21.34 H new ATOM 0 HG12 ILE A 43 14.842 -9.314 -11.993 1.00 54.01 H new ATOM 0 HG13 ILE A 43 14.200 -10.421 -10.796 1.00 54.01 H new ATOM 0 HG21 ILE A 43 15.194 -10.481 -8.485 1.00 45.34 H new ATOM 0 HG22 ILE A 43 16.635 -9.501 -8.121 1.00 45.34 H new ATOM 0 HG23 ILE A 43 15.047 -8.717 -8.296 1.00 45.34 H new ATOM 0 HD11 ILE A 43 12.705 -8.511 -11.114 1.00 0.31 H new ATOM 0 HD12 ILE A 43 13.367 -8.517 -9.462 1.00 0.31 H new ATOM 0 HD13 ILE A 43 14.019 -7.393 -10.677 1.00 0.31 H new ATOM 721 N PRO A 44 18.474 -8.379 -8.863 1.00 53.02 N ATOM 722 CA PRO A 44 19.338 -8.125 -7.707 1.00 12.34 C ATOM 723 C PRO A 44 20.204 -6.884 -7.892 1.00 3.20 C ATOM 724 O PRO A 44 20.659 -6.280 -6.920 1.00 33.11 O ATOM 725 CB PRO A 44 20.210 -9.380 -7.633 1.00 24.21 C ATOM 726 CG PRO A 44 20.230 -9.910 -9.025 1.00 43.12 C ATOM 727 CD PRO A 44 18.888 -9.576 -9.615 1.00 11.24 C ATOM 0 HA PRO A 44 18.762 -7.936 -6.801 1.00 12.34 H new ATOM 0 HB2 PRO A 44 21.216 -9.143 -7.285 1.00 24.21 H new ATOM 0 HB3 PRO A 44 19.795 -10.110 -6.937 1.00 24.21 H new ATOM 0 HG2 PRO A 44 21.034 -9.456 -9.604 1.00 43.12 H new ATOM 0 HG3 PRO A 44 20.402 -10.986 -9.030 1.00 43.12 H new ATOM 0 HD2 PRO A 44 18.958 -9.375 -10.684 1.00 11.24 H new ATOM 0 HD3 PRO A 44 18.179 -10.394 -9.490 1.00 11.24 H new ATOM 735 N LYS A 45 20.430 -6.507 -9.146 1.00 73.31 N ATOM 736 CA LYS A 45 21.240 -5.337 -9.460 1.00 45.21 C ATOM 737 C LYS A 45 20.571 -4.061 -8.960 1.00 12.12 C ATOM 738 O LYS A 45 21.244 -3.090 -8.613 1.00 73.25 O ATOM 739 CB LYS A 45 21.476 -5.244 -10.969 1.00 52.24 C ATOM 740 CG LYS A 45 22.844 -4.698 -11.339 1.00 41.21 C ATOM 741 CD LYS A 45 22.735 -3.515 -12.287 1.00 1.04 C ATOM 742 CE LYS A 45 24.038 -3.278 -13.034 1.00 43.50 C ATOM 743 NZ LYS A 45 24.548 -1.893 -12.834 1.00 2.22 N ATOM 0 H LYS A 45 20.063 -6.996 -9.962 1.00 73.31 H new ATOM 0 HA LYS A 45 22.200 -5.445 -8.954 1.00 45.21 H new ATOM 0 HB2 LYS A 45 21.359 -6.235 -11.408 1.00 52.24 H new ATOM 0 HB3 LYS A 45 20.709 -4.607 -11.410 1.00 52.24 H new ATOM 0 HG2 LYS A 45 23.372 -4.394 -10.435 1.00 41.21 H new ATOM 0 HG3 LYS A 45 23.437 -5.485 -11.805 1.00 41.21 H new ATOM 0 HD2 LYS A 45 21.932 -3.693 -13.002 1.00 1.04 H new ATOM 0 HD3 LYS A 45 22.469 -2.620 -11.725 1.00 1.04 H new ATOM 0 HE2 LYS A 45 24.787 -3.993 -12.694 1.00 43.50 H new ATOM 0 HE3 LYS A 45 23.885 -3.458 -14.098 1.00 43.50 H new ATOM 0 HZ1 LYS A 45 25.437 -1.771 -13.359 1.00 2.22 H new ATOM 0 HZ2 LYS A 45 23.845 -1.210 -13.182 1.00 2.22 H new ATOM 0 HZ3 LYS A 45 24.719 -1.729 -11.821 1.00 2.22 H new ATOM 757 N SER A 46 19.242 -4.071 -8.923 1.00 41.54 N ATOM 758 CA SER A 46 18.482 -2.913 -8.467 1.00 55.14 C ATOM 759 C SER A 46 18.668 -2.697 -6.969 1.00 12.43 C ATOM 760 O SER A 46 19.011 -1.601 -6.527 1.00 3.34 O ATOM 761 CB SER A 46 16.996 -3.094 -8.787 1.00 44.44 C ATOM 762 OG SER A 46 16.781 -4.256 -9.569 1.00 32.25 O ATOM 0 H SER A 46 18.670 -4.868 -9.203 1.00 41.54 H new ATOM 0 HA SER A 46 18.856 -2.034 -8.992 1.00 55.14 H new ATOM 0 HB2 SER A 46 16.427 -3.165 -7.860 1.00 44.44 H new ATOM 0 HB3 SER A 46 16.626 -2.219 -9.321 1.00 44.44 H new ATOM 0 HG SER A 46 16.657 -5.029 -8.979 1.00 32.25 H new ATOM 768 N ALA A 47 18.438 -3.750 -6.192 1.00 63.41 N ATOM 769 CA ALA A 47 18.582 -3.678 -4.743 1.00 44.35 C ATOM 770 C ALA A 47 20.008 -3.303 -4.352 1.00 33.24 C ATOM 771 O ALA A 47 20.243 -2.769 -3.269 1.00 13.35 O ATOM 772 CB ALA A 47 18.189 -5.002 -4.107 1.00 34.22 C ATOM 0 H ALA A 47 18.151 -4.664 -6.542 1.00 63.41 H new ATOM 0 HA ALA A 47 17.915 -2.899 -4.374 1.00 44.35 H new ATOM 0 HB1 ALA A 47 18.302 -4.933 -3.025 1.00 34.22 H new ATOM 0 HB2 ALA A 47 17.151 -5.229 -4.350 1.00 34.22 H new ATOM 0 HB3 ALA A 47 18.832 -5.794 -4.489 1.00 34.22 H new ATOM 778 N GLU A 48 20.955 -3.588 -5.240 1.00 20.23 N ATOM 779 CA GLU A 48 22.358 -3.282 -4.984 1.00 74.02 C ATOM 780 C GLU A 48 22.627 -1.789 -5.149 1.00 23.13 C ATOM 781 O GLU A 48 23.506 -1.229 -4.492 1.00 34.40 O ATOM 782 CB GLU A 48 23.257 -4.081 -5.929 1.00 64.13 C ATOM 783 CG GLU A 48 24.720 -4.085 -5.519 1.00 4.41 C ATOM 784 CD GLU A 48 25.652 -3.782 -6.677 1.00 32.14 C ATOM 785 OE1 GLU A 48 25.833 -4.668 -7.538 1.00 42.13 O ATOM 786 OE2 GLU A 48 26.199 -2.661 -6.721 1.00 42.20 O ATOM 0 H GLU A 48 20.777 -4.030 -6.142 1.00 20.23 H new ATOM 0 HA GLU A 48 22.584 -3.563 -3.955 1.00 74.02 H new ATOM 0 HB2 GLU A 48 22.899 -5.109 -5.975 1.00 64.13 H new ATOM 0 HB3 GLU A 48 23.171 -3.668 -6.934 1.00 64.13 H new ATOM 0 HG2 GLU A 48 24.874 -3.348 -4.731 1.00 4.41 H new ATOM 0 HG3 GLU A 48 24.973 -5.059 -5.099 1.00 4.41 H new ATOM 793 N PHE A 49 21.866 -1.150 -6.030 1.00 52.15 N ATOM 794 CA PHE A 49 22.023 0.278 -6.283 1.00 73.34 C ATOM 795 C PHE A 49 21.883 1.077 -4.991 1.00 53.54 C ATOM 796 O PHE A 49 22.412 2.183 -4.873 1.00 62.10 O ATOM 797 CB PHE A 49 20.988 0.753 -7.305 1.00 72.13 C ATOM 798 CG PHE A 49 21.588 1.489 -8.469 1.00 25.32 C ATOM 799 CD1 PHE A 49 21.929 2.827 -8.358 1.00 11.31 C ATOM 800 CD2 PHE A 49 21.813 0.842 -9.673 1.00 62.23 C ATOM 801 CE1 PHE A 49 22.481 3.507 -9.427 1.00 71.33 C ATOM 802 CE2 PHE A 49 22.365 1.516 -10.746 1.00 44.11 C ATOM 803 CZ PHE A 49 22.701 2.850 -10.622 1.00 53.14 C ATOM 0 H PHE A 49 21.134 -1.598 -6.581 1.00 52.15 H new ATOM 0 HA PHE A 49 23.023 0.443 -6.685 1.00 73.34 H new ATOM 0 HB2 PHE A 49 20.434 -0.109 -7.677 1.00 72.13 H new ATOM 0 HB3 PHE A 49 20.269 1.403 -6.806 1.00 72.13 H new ATOM 0 HD1 PHE A 49 21.762 3.345 -7.425 1.00 11.31 H new ATOM 0 HD2 PHE A 49 21.554 -0.202 -9.774 1.00 62.23 H new ATOM 0 HE1 PHE A 49 22.740 4.551 -9.328 1.00 71.33 H new ATOM 0 HE2 PHE A 49 22.533 1.000 -11.680 1.00 44.11 H new ATOM 0 HZ PHE A 49 23.135 3.378 -11.458 1.00 53.14 H new ATOM 813 N ILE A 50 21.166 0.511 -4.027 1.00 31.13 N ATOM 814 CA ILE A 50 20.957 1.170 -2.744 1.00 15.23 C ATOM 815 C ILE A 50 22.187 1.043 -1.853 1.00 25.43 C ATOM 816 O ILE A 50 22.542 1.974 -1.131 1.00 41.42 O ATOM 817 CB ILE A 50 19.738 0.587 -2.003 1.00 43.34 C ATOM 818 CG1 ILE A 50 18.498 0.640 -2.898 1.00 32.54 C ATOM 819 CG2 ILE A 50 19.495 1.344 -0.706 1.00 70.12 C ATOM 820 CD1 ILE A 50 18.047 2.046 -3.224 1.00 14.15 C ATOM 0 H ILE A 50 20.720 -0.403 -4.110 1.00 31.13 H new ATOM 0 HA ILE A 50 20.773 2.223 -2.957 1.00 15.23 H new ATOM 0 HB ILE A 50 19.943 -0.455 -1.759 1.00 43.34 H new ATOM 0 HG12 ILE A 50 18.708 0.110 -3.827 1.00 32.54 H new ATOM 0 HG13 ILE A 50 17.682 0.110 -2.406 1.00 32.54 H new ATOM 0 HG21 ILE A 50 18.631 0.921 -0.194 1.00 70.12 H new ATOM 0 HG22 ILE A 50 20.373 1.260 -0.066 1.00 70.12 H new ATOM 0 HG23 ILE A 50 19.307 2.394 -0.928 1.00 70.12 H new ATOM 0 HD11 ILE A 50 17.164 2.006 -3.862 1.00 14.15 H new ATOM 0 HD12 ILE A 50 17.805 2.574 -2.301 1.00 14.15 H new ATOM 0 HD13 ILE A 50 18.847 2.573 -3.744 1.00 14.15 H new ATOM 832 N GLN A 51 22.835 -0.116 -1.910 1.00 63.52 N ATOM 833 CA GLN A 51 24.028 -0.365 -1.109 1.00 32.11 C ATOM 834 C GLN A 51 24.587 -1.758 -1.382 1.00 52.42 C ATOM 835 O GLN A 51 23.842 -2.736 -1.437 1.00 62.23 O ATOM 836 CB GLN A 51 23.709 -0.214 0.379 1.00 14.24 C ATOM 837 CG GLN A 51 24.760 0.567 1.151 1.00 63.11 C ATOM 838 CD GLN A 51 26.035 -0.225 1.365 1.00 31.41 C ATOM 839 OE1 GLN A 51 26.919 -0.244 0.508 1.00 22.24 O ATOM 840 NE2 GLN A 51 26.136 -0.885 2.513 1.00 63.41 N ATOM 0 H GLN A 51 22.554 -0.897 -2.502 1.00 63.52 H new ATOM 0 HA GLN A 51 24.782 0.370 -1.389 1.00 32.11 H new ATOM 0 HB2 GLN A 51 22.746 0.285 0.487 1.00 14.24 H new ATOM 0 HB3 GLN A 51 23.606 -1.204 0.822 1.00 14.24 H new ATOM 0 HG2 GLN A 51 24.993 1.485 0.612 1.00 63.11 H new ATOM 0 HG3 GLN A 51 24.352 0.860 2.118 1.00 63.11 H new ATOM 0 HE21 GLN A 51 25.379 -0.841 3.195 1.00 63.41 H new ATOM 0 HE22 GLN A 51 26.971 -1.436 2.713 1.00 63.41 H new ATOM 849 N SER A 52 25.902 -1.839 -1.553 1.00 44.31 N ATOM 850 CA SER A 52 26.561 -3.111 -1.825 1.00 71.00 C ATOM 851 C SER A 52 26.158 -4.162 -0.795 1.00 71.34 C ATOM 852 O SER A 52 26.116 -5.356 -1.093 1.00 31.20 O ATOM 853 CB SER A 52 28.081 -2.934 -1.822 1.00 15.12 C ATOM 854 OG SER A 52 28.519 -2.309 -0.628 1.00 34.13 O ATOM 0 H SER A 52 26.533 -1.039 -1.508 1.00 44.31 H new ATOM 0 HA SER A 52 26.245 -3.452 -2.811 1.00 71.00 H new ATOM 0 HB2 SER A 52 28.564 -3.906 -1.926 1.00 15.12 H new ATOM 0 HB3 SER A 52 28.382 -2.335 -2.681 1.00 15.12 H new ATOM 0 HG SER A 52 27.828 -1.692 -0.309 1.00 34.13 H new ATOM 860 N LYS A 53 25.862 -3.710 0.418 1.00 11.52 N ATOM 861 CA LYS A 53 25.461 -4.608 1.494 1.00 74.41 C ATOM 862 C LYS A 53 24.201 -4.099 2.188 1.00 44.35 C ATOM 863 O LYS A 53 24.117 -2.930 2.561 1.00 13.41 O ATOM 864 CB LYS A 53 26.593 -4.755 2.513 1.00 60.12 C ATOM 865 CG LYS A 53 26.902 -6.197 2.875 1.00 61.50 C ATOM 866 CD LYS A 53 28.091 -6.727 2.090 1.00 13.03 C ATOM 867 CE LYS A 53 29.006 -7.569 2.966 1.00 72.43 C ATOM 868 NZ LYS A 53 29.315 -8.885 2.340 1.00 33.24 N ATOM 0 H LYS A 53 25.892 -2.725 0.681 1.00 11.52 H new ATOM 0 HA LYS A 53 25.245 -5.583 1.057 1.00 74.41 H new ATOM 0 HB2 LYS A 53 27.493 -4.289 2.113 1.00 60.12 H new ATOM 0 HB3 LYS A 53 26.328 -4.211 3.419 1.00 60.12 H new ATOM 0 HG2 LYS A 53 27.109 -6.269 3.943 1.00 61.50 H new ATOM 0 HG3 LYS A 53 26.028 -6.818 2.677 1.00 61.50 H new ATOM 0 HD2 LYS A 53 27.737 -7.326 1.251 1.00 13.03 H new ATOM 0 HD3 LYS A 53 28.653 -5.892 1.671 1.00 13.03 H new ATOM 0 HE2 LYS A 53 29.934 -7.027 3.149 1.00 72.43 H new ATOM 0 HE3 LYS A 53 28.534 -7.730 3.935 1.00 72.43 H new ATOM 0 HZ1 LYS A 53 29.941 -9.429 2.967 1.00 33.24 H new ATOM 0 HZ2 LYS A 53 28.432 -9.413 2.188 1.00 33.24 H new ATOM 0 HZ3 LYS A 53 29.788 -8.732 1.427 1.00 33.24 H new ATOM 882 N GLY A 54 23.225 -4.985 2.358 1.00 52.11 N ATOM 883 CA GLY A 54 21.984 -4.606 3.008 1.00 51.43 C ATOM 884 C GLY A 54 20.762 -5.079 2.246 1.00 61.42 C ATOM 885 O GLY A 54 19.641 -5.013 2.752 1.00 44.11 O ATOM 0 H GLY A 54 23.271 -5.959 2.057 1.00 52.11 H new ATOM 0 HA2 GLY A 54 21.963 -5.022 4.015 1.00 51.43 H new ATOM 0 HA3 GLY A 54 21.947 -3.521 3.110 1.00 51.43 H new ATOM 889 N HIS A 55 20.977 -5.558 1.024 1.00 31.04 N ATOM 890 CA HIS A 55 19.883 -6.044 0.190 1.00 4.14 C ATOM 891 C HIS A 55 19.965 -7.557 0.014 1.00 23.24 C ATOM 892 O HIS A 55 20.928 -8.074 -0.551 1.00 4.20 O ATOM 893 CB HIS A 55 19.912 -5.358 -1.176 1.00 11.44 C ATOM 894 CG HIS A 55 21.141 -5.664 -1.974 1.00 44.21 C ATOM 895 ND1 HIS A 55 22.388 -5.169 -1.656 1.00 3.32 N ATOM 896 CD2 HIS A 55 21.311 -6.421 -3.083 1.00 30.51 C ATOM 897 CE1 HIS A 55 23.271 -5.607 -2.535 1.00 44.01 C ATOM 898 NE2 HIS A 55 22.643 -6.370 -3.412 1.00 2.24 N ATOM 0 H HIS A 55 21.898 -5.620 0.590 1.00 31.04 H new ATOM 0 HA HIS A 55 18.944 -5.804 0.689 1.00 4.14 H new ATOM 0 HB2 HIS A 55 19.034 -5.663 -1.745 1.00 11.44 H new ATOM 0 HB3 HIS A 55 19.841 -4.280 -1.033 1.00 11.44 H new ATOM 0 HD1 HIS A 55 22.596 -4.559 -0.865 1.00 3.32 H new ATOM 0 HD2 HIS A 55 20.542 -6.964 -3.611 1.00 30.51 H new ATOM 0 HE1 HIS A 55 24.327 -5.380 -2.537 1.00 44.01 H new ATOM 906 N GLU A 56 18.949 -8.261 0.503 1.00 30.03 N ATOM 907 CA GLU A 56 18.908 -9.715 0.401 1.00 63.02 C ATOM 908 C GLU A 56 17.528 -10.191 -0.042 1.00 14.21 C ATOM 909 O GLU A 56 16.506 -9.722 0.462 1.00 32.41 O ATOM 910 CB GLU A 56 19.274 -10.354 1.742 1.00 10.54 C ATOM 911 CG GLU A 56 20.302 -11.466 1.627 1.00 61.32 C ATOM 912 CD GLU A 56 19.674 -12.846 1.659 1.00 23.21 C ATOM 913 OE1 GLU A 56 18.737 -13.089 0.871 1.00 73.43 O ATOM 914 OE2 GLU A 56 20.120 -13.682 2.472 1.00 31.53 O ATOM 0 H GLU A 56 18.144 -7.848 0.974 1.00 30.03 H new ATOM 0 HA GLU A 56 19.637 -10.021 -0.349 1.00 63.02 H new ATOM 0 HB2 GLU A 56 19.659 -9.583 2.409 1.00 10.54 H new ATOM 0 HB3 GLU A 56 18.370 -10.753 2.203 1.00 10.54 H new ATOM 0 HG2 GLU A 56 20.859 -11.346 0.698 1.00 61.32 H new ATOM 0 HG3 GLU A 56 21.020 -11.378 2.443 1.00 61.32 H new ATOM 921 N LEU A 57 17.505 -11.124 -0.987 1.00 50.44 N ATOM 922 CA LEU A 57 16.250 -11.664 -1.500 1.00 3.44 C ATOM 923 C LEU A 57 15.738 -12.790 -0.608 1.00 12.24 C ATOM 924 O LEU A 57 16.225 -13.919 -0.673 1.00 62.13 O ATOM 925 CB LEU A 57 16.438 -12.175 -2.929 1.00 21.11 C ATOM 926 CG LEU A 57 16.820 -11.125 -3.973 1.00 22.03 C ATOM 927 CD1 LEU A 57 15.944 -9.890 -3.833 1.00 2.22 C ATOM 928 CD2 LEU A 57 18.291 -10.756 -3.844 1.00 52.40 C ATOM 0 H LEU A 57 18.341 -11.523 -1.414 1.00 50.44 H new ATOM 0 HA LEU A 57 15.511 -10.862 -1.502 1.00 3.44 H new ATOM 0 HB2 LEU A 57 17.209 -12.946 -2.919 1.00 21.11 H new ATOM 0 HB3 LEU A 57 15.512 -12.654 -3.247 1.00 21.11 H new ATOM 0 HG LEU A 57 16.658 -11.549 -4.964 1.00 22.03 H new ATOM 0 HD11 LEU A 57 16.230 -9.154 -4.584 1.00 2.22 H new ATOM 0 HD12 LEU A 57 14.899 -10.167 -3.976 1.00 2.22 H new ATOM 0 HD13 LEU A 57 16.073 -9.463 -2.839 1.00 2.22 H new ATOM 0 HD21 LEU A 57 18.546 -10.008 -4.595 1.00 52.40 H new ATOM 0 HD22 LEU A 57 18.479 -10.351 -2.850 1.00 52.40 H new ATOM 0 HD23 LEU A 57 18.904 -11.645 -3.995 1.00 52.40 H new ATOM 940 N LEU A 58 14.751 -12.476 0.224 1.00 13.12 N ATOM 941 CA LEU A 58 14.169 -13.462 1.128 1.00 24.15 C ATOM 942 C LEU A 58 13.678 -14.684 0.359 1.00 53.33 C ATOM 943 O LEU A 58 13.852 -15.819 0.800 1.00 43.25 O ATOM 944 CB LEU A 58 13.014 -12.842 1.916 1.00 72.20 C ATOM 945 CG LEU A 58 13.253 -12.640 3.413 1.00 64.54 C ATOM 946 CD1 LEU A 58 12.804 -11.253 3.843 1.00 42.31 C ATOM 947 CD2 LEU A 58 12.530 -13.711 4.218 1.00 44.54 C ATOM 0 H LEU A 58 14.337 -11.546 0.291 1.00 13.12 H new ATOM 0 HA LEU A 58 14.944 -13.782 1.824 1.00 24.15 H new ATOM 0 HB2 LEU A 58 12.777 -11.875 1.473 1.00 72.20 H new ATOM 0 HB3 LEU A 58 12.135 -13.474 1.791 1.00 72.20 H new ATOM 0 HG LEU A 58 14.322 -12.729 3.606 1.00 64.54 H new ATOM 0 HD11 LEU A 58 12.982 -11.128 4.911 1.00 42.31 H new ATOM 0 HD12 LEU A 58 13.367 -10.501 3.291 1.00 42.31 H new ATOM 0 HD13 LEU A 58 11.740 -11.134 3.636 1.00 42.31 H new ATOM 0 HD21 LEU A 58 12.711 -13.552 5.281 1.00 44.54 H new ATOM 0 HD22 LEU A 58 11.460 -13.655 4.020 1.00 44.54 H new ATOM 0 HD23 LEU A 58 12.901 -14.695 3.930 1.00 44.54 H new ATOM 1088 N ASP A 67 5.978 -14.031 -15.499 1.00 24.42 N ATOM 1089 CA ASP A 67 6.135 -12.855 -14.651 1.00 34.20 C ATOM 1090 C ASP A 67 6.020 -13.229 -13.176 1.00 61.14 C ATOM 1091 O ASP A 67 4.928 -13.503 -12.678 1.00 40.55 O ATOM 1092 CB ASP A 67 5.084 -11.801 -15.006 1.00 24.43 C ATOM 1093 CG ASP A 67 3.668 -12.305 -14.805 1.00 45.40 C ATOM 1094 OD1 ASP A 67 3.169 -13.038 -15.684 1.00 71.00 O ATOM 1095 OD2 ASP A 67 3.060 -11.966 -13.769 1.00 2.24 O ATOM 0 HA ASP A 67 7.128 -12.441 -14.826 1.00 34.20 H new ATOM 0 HB2 ASP A 67 5.241 -10.914 -14.392 1.00 24.43 H new ATOM 0 HB3 ASP A 67 5.215 -11.497 -16.045 1.00 24.43 H new ATOM 1100 N TRP A 68 7.154 -13.240 -12.485 1.00 13.23 N ATOM 1101 CA TRP A 68 7.180 -13.582 -11.067 1.00 5.40 C ATOM 1102 C TRP A 68 7.458 -12.348 -10.215 1.00 33.02 C ATOM 1103 O TRP A 68 7.564 -11.235 -10.731 1.00 44.00 O ATOM 1104 CB TRP A 68 8.241 -14.651 -10.799 1.00 0.40 C ATOM 1105 CG TRP A 68 7.796 -15.698 -9.824 1.00 14.24 C ATOM 1106 CD1 TRP A 68 8.277 -15.900 -8.562 1.00 24.42 C ATOM 1107 CD2 TRP A 68 6.781 -16.686 -10.031 1.00 71.23 C ATOM 1108 NE1 TRP A 68 7.623 -16.955 -7.973 1.00 22.43 N ATOM 1109 CE2 TRP A 68 6.700 -17.454 -8.853 1.00 72.01 C ATOM 1110 CE3 TRP A 68 5.932 -16.996 -11.097 1.00 34.22 C ATOM 1111 CZ2 TRP A 68 5.804 -18.511 -8.714 1.00 23.01 C ATOM 1112 CZ3 TRP A 68 5.044 -18.046 -10.957 1.00 54.23 C ATOM 1113 CH2 TRP A 68 4.985 -18.792 -9.773 1.00 72.50 C ATOM 0 H TRP A 68 8.066 -13.016 -12.882 1.00 13.23 H new ATOM 0 HA TRP A 68 6.201 -13.976 -10.795 1.00 5.40 H new ATOM 0 HB2 TRP A 68 8.508 -15.131 -11.740 1.00 0.40 H new ATOM 0 HB3 TRP A 68 9.143 -14.171 -10.419 1.00 0.40 H new ATOM 0 HD1 TRP A 68 9.057 -15.316 -8.096 1.00 24.42 H new ATOM 0 HE1 TRP A 68 7.797 -17.309 -7.032 1.00 22.43 H new ATOM 0 HE3 TRP A 68 5.969 -16.426 -12.013 1.00 34.22 H new ATOM 0 HZ2 TRP A 68 5.757 -19.088 -7.802 1.00 23.01 H new ATOM 0 HZ3 TRP A 68 4.384 -18.296 -11.775 1.00 54.23 H new ATOM 0 HH2 TRP A 68 4.279 -19.605 -9.695 1.00 72.50 H new ATOM 1124 N THR A 69 7.574 -12.552 -8.906 1.00 51.32 N ATOM 1125 CA THR A 69 7.838 -11.456 -7.983 1.00 12.35 C ATOM 1126 C THR A 69 9.042 -11.759 -7.099 1.00 23.41 C ATOM 1127 O THR A 69 9.246 -12.900 -6.682 1.00 62.02 O ATOM 1128 CB THR A 69 6.618 -11.170 -7.087 1.00 53.51 C ATOM 1129 OG1 THR A 69 5.876 -12.375 -6.869 1.00 62.03 O ATOM 1130 CG2 THR A 69 5.716 -10.121 -7.720 1.00 52.23 C ATOM 0 H THR A 69 7.489 -13.466 -8.462 1.00 51.32 H new ATOM 0 HA THR A 69 8.049 -10.576 -8.590 1.00 12.35 H new ATOM 0 HB THR A 69 6.979 -10.788 -6.132 1.00 53.51 H new ATOM 0 HG1 THR A 69 5.103 -12.184 -6.297 1.00 62.03 H new ATOM 0 HG21 THR A 69 4.861 -9.936 -7.069 1.00 52.23 H new ATOM 0 HG22 THR A 69 6.275 -9.195 -7.857 1.00 52.23 H new ATOM 0 HG23 THR A 69 5.364 -10.479 -8.687 1.00 52.23 H new ATOM 1138 N ILE A 70 9.837 -10.732 -6.816 1.00 73.53 N ATOM 1139 CA ILE A 70 11.020 -10.890 -5.980 1.00 61.31 C ATOM 1140 C ILE A 70 10.965 -9.965 -4.769 1.00 31.40 C ATOM 1141 O ILE A 70 10.859 -8.747 -4.909 1.00 44.11 O ATOM 1142 CB ILE A 70 12.310 -10.605 -6.771 1.00 65.32 C ATOM 1143 CG1 ILE A 70 13.530 -10.704 -5.853 1.00 1.15 C ATOM 1144 CG2 ILE A 70 12.240 -9.232 -7.422 1.00 3.11 C ATOM 1145 CD1 ILE A 70 13.685 -12.058 -5.197 1.00 31.30 C ATOM 0 H ILE A 70 9.683 -9.782 -7.154 1.00 73.53 H new ATOM 0 HA ILE A 70 11.032 -11.926 -5.642 1.00 61.31 H new ATOM 0 HB ILE A 70 12.409 -11.353 -7.557 1.00 65.32 H new ATOM 0 HG12 ILE A 70 14.428 -10.484 -6.431 1.00 1.15 H new ATOM 0 HG13 ILE A 70 13.455 -9.941 -5.079 1.00 1.15 H new ATOM 0 HG21 ILE A 70 13.159 -9.045 -7.977 1.00 3.11 H new ATOM 0 HG22 ILE A 70 11.390 -9.195 -8.104 1.00 3.11 H new ATOM 0 HG23 ILE A 70 12.120 -8.470 -6.652 1.00 3.11 H new ATOM 0 HD11 ILE A 70 14.570 -12.055 -4.561 1.00 31.30 H new ATOM 0 HD12 ILE A 70 12.804 -12.272 -4.592 1.00 31.30 H new ATOM 0 HD13 ILE A 70 13.793 -12.824 -5.965 1.00 31.30 H new ATOM 1157 N VAL A 71 11.039 -10.553 -3.579 1.00 14.22 N ATOM 1158 CA VAL A 71 11.000 -9.782 -2.342 1.00 40.40 C ATOM 1159 C VAL A 71 12.403 -9.383 -1.899 1.00 23.32 C ATOM 1160 O VAL A 71 13.315 -10.210 -1.870 1.00 41.22 O ATOM 1161 CB VAL A 71 10.321 -10.573 -1.208 1.00 53.43 C ATOM 1162 CG1 VAL A 71 8.829 -10.711 -1.473 1.00 63.53 C ATOM 1163 CG2 VAL A 71 10.971 -11.938 -1.048 1.00 25.21 C ATOM 0 H VAL A 71 11.126 -11.560 -3.446 1.00 14.22 H new ATOM 0 HA VAL A 71 10.417 -8.884 -2.547 1.00 40.40 H new ATOM 0 HB VAL A 71 10.451 -10.023 -0.276 1.00 53.43 H new ATOM 0 HG11 VAL A 71 8.366 -11.273 -0.662 1.00 63.53 H new ATOM 0 HG12 VAL A 71 8.377 -9.721 -1.533 1.00 63.53 H new ATOM 0 HG13 VAL A 71 8.674 -11.239 -2.414 1.00 63.53 H new ATOM 0 HG21 VAL A 71 10.479 -12.483 -0.243 1.00 25.21 H new ATOM 0 HG22 VAL A 71 10.874 -12.498 -1.978 1.00 25.21 H new ATOM 0 HG23 VAL A 71 12.027 -11.812 -0.809 1.00 25.21 H new ATOM 1173 N VAL A 72 12.570 -8.111 -1.553 1.00 13.41 N ATOM 1174 CA VAL A 72 13.862 -7.602 -1.109 1.00 11.20 C ATOM 1175 C VAL A 72 13.752 -6.943 0.262 1.00 71.53 C ATOM 1176 O VAL A 72 12.911 -6.071 0.477 1.00 51.44 O ATOM 1177 CB VAL A 72 14.438 -6.583 -2.111 1.00 23.44 C ATOM 1178 CG1 VAL A 72 15.870 -6.225 -1.743 1.00 42.24 C ATOM 1179 CG2 VAL A 72 14.364 -7.130 -3.528 1.00 73.31 C ATOM 0 H VAL A 72 11.826 -7.413 -1.572 1.00 13.41 H new ATOM 0 HA VAL A 72 14.534 -8.458 -1.045 1.00 11.20 H new ATOM 0 HB VAL A 72 13.838 -5.674 -2.065 1.00 23.44 H new ATOM 0 HG11 VAL A 72 16.261 -5.504 -2.461 1.00 42.24 H new ATOM 0 HG12 VAL A 72 15.891 -5.789 -0.744 1.00 42.24 H new ATOM 0 HG13 VAL A 72 16.486 -7.124 -1.760 1.00 42.24 H new ATOM 0 HG21 VAL A 72 14.775 -6.397 -4.223 1.00 73.31 H new ATOM 0 HG22 VAL A 72 14.939 -8.054 -3.592 1.00 73.31 H new ATOM 0 HG23 VAL A 72 13.324 -7.332 -3.786 1.00 73.31 H new ATOM 1189 N ARG A 73 14.607 -7.368 1.186 1.00 5.40 N ATOM 1190 CA ARG A 73 14.606 -6.820 2.537 1.00 2.31 C ATOM 1191 C ARG A 73 15.697 -5.764 2.697 1.00 74.31 C ATOM 1192 O ARG A 73 16.872 -6.026 2.441 1.00 60.40 O ATOM 1193 CB ARG A 73 14.808 -7.936 3.563 1.00 31.23 C ATOM 1194 CG ARG A 73 16.016 -8.814 3.279 1.00 52.21 C ATOM 1195 CD ARG A 73 16.851 -9.034 4.530 1.00 4.23 C ATOM 1196 NE ARG A 73 16.174 -9.895 5.496 1.00 3.22 N ATOM 1197 CZ ARG A 73 16.746 -10.343 6.608 1.00 12.05 C ATOM 1198 NH1 ARG A 73 17.998 -10.013 6.894 1.00 52.11 N ATOM 1199 NH2 ARG A 73 16.064 -11.123 7.438 1.00 3.43 N ATOM 0 H ARG A 73 15.309 -8.090 1.024 1.00 5.40 H new ATOM 0 HA ARG A 73 13.639 -6.348 2.709 1.00 2.31 H new ATOM 0 HB2 ARG A 73 14.917 -7.493 4.553 1.00 31.23 H new ATOM 0 HB3 ARG A 73 13.914 -8.560 3.589 1.00 31.23 H new ATOM 0 HG2 ARG A 73 15.684 -9.776 2.888 1.00 52.21 H new ATOM 0 HG3 ARG A 73 16.630 -8.351 2.507 1.00 52.21 H new ATOM 0 HD2 ARG A 73 17.806 -9.480 4.254 1.00 4.23 H new ATOM 0 HD3 ARG A 73 17.070 -8.072 4.993 1.00 4.23 H new ATOM 0 HE ARG A 73 15.209 -10.167 5.306 1.00 3.22 H new ATOM 0 HH11 ARG A 73 18.525 -9.413 6.259 1.00 52.11 H new ATOM 0 HH12 ARG A 73 18.434 -10.359 7.749 1.00 52.11 H new ATOM 0 HH21 ARG A 73 15.100 -11.378 7.222 1.00 3.43 H new ATOM 0 HH22 ARG A 73 16.504 -11.467 8.292 1.00 3.43 H new ATOM 1213 N LYS A 74 15.299 -4.570 3.121 1.00 12.32 N ATOM 1214 CA LYS A 74 16.241 -3.474 3.316 1.00 14.23 C ATOM 1215 C LYS A 74 16.977 -3.619 4.644 1.00 33.03 C ATOM 1216 O LYS A 74 16.492 -4.275 5.567 1.00 52.15 O ATOM 1217 CB LYS A 74 15.508 -2.131 3.271 1.00 45.30 C ATOM 1218 CG LYS A 74 15.427 -1.529 1.879 1.00 43.22 C ATOM 1219 CD LYS A 74 16.202 -0.225 1.789 1.00 12.41 C ATOM 1220 CE LYS A 74 15.410 0.935 2.374 1.00 23.03 C ATOM 1221 NZ LYS A 74 16.081 2.242 2.132 1.00 12.43 N ATOM 0 H LYS A 74 14.330 -4.336 3.336 1.00 12.32 H new ATOM 0 HA LYS A 74 16.973 -3.509 2.509 1.00 14.23 H new ATOM 0 HB2 LYS A 74 14.498 -2.264 3.659 1.00 45.30 H new ATOM 0 HB3 LYS A 74 16.014 -1.428 3.933 1.00 45.30 H new ATOM 0 HG2 LYS A 74 15.821 -2.238 1.151 1.00 43.22 H new ATOM 0 HG3 LYS A 74 14.384 -1.352 1.618 1.00 43.22 H new ATOM 0 HD2 LYS A 74 17.148 -0.325 2.320 1.00 12.41 H new ATOM 0 HD3 LYS A 74 16.442 -0.014 0.747 1.00 12.41 H new ATOM 0 HE2 LYS A 74 14.413 0.952 1.935 1.00 23.03 H new ATOM 0 HE3 LYS A 74 15.284 0.785 3.446 1.00 23.03 H new ATOM 0 HZ1 LYS A 74 15.511 3.007 2.546 1.00 12.43 H new ATOM 0 HZ2 LYS A 74 17.023 2.235 2.573 1.00 12.43 H new ATOM 0 HZ3 LYS A 74 16.179 2.398 1.108 1.00 12.43 H new ATOM 1235 N LYS A 75 18.150 -3.002 4.736 1.00 51.12 N ATOM 1236 CA LYS A 75 18.952 -3.060 5.952 1.00 45.53 C ATOM 1237 C LYS A 75 20.164 -2.139 5.848 1.00 41.30 C ATOM 1238 O LYS A 75 20.564 -1.512 6.828 1.00 5.41 O ATOM 1239 CB LYS A 75 19.411 -4.495 6.217 1.00 31.22 C ATOM 1240 CG LYS A 75 19.152 -4.963 7.639 1.00 62.32 C ATOM 1241 CD LYS A 75 20.335 -4.669 8.547 1.00 54.03 C ATOM 1242 CE LYS A 75 20.456 -5.702 9.656 1.00 30.04 C ATOM 1243 NZ LYS A 75 21.851 -5.807 10.166 1.00 22.30 N ATOM 0 H LYS A 75 18.567 -2.456 3.982 1.00 51.12 H new ATOM 0 HA LYS A 75 18.332 -2.724 6.783 1.00 45.53 H new ATOM 0 HB2 LYS A 75 18.901 -5.165 5.524 1.00 31.22 H new ATOM 0 HB3 LYS A 75 20.478 -4.571 6.007 1.00 31.22 H new ATOM 0 HG2 LYS A 75 18.262 -4.470 8.029 1.00 62.32 H new ATOM 0 HG3 LYS A 75 18.949 -6.034 7.639 1.00 62.32 H new ATOM 0 HD2 LYS A 75 21.252 -4.656 7.959 1.00 54.03 H new ATOM 0 HD3 LYS A 75 20.222 -3.677 8.983 1.00 54.03 H new ATOM 0 HE2 LYS A 75 19.789 -5.435 10.476 1.00 30.04 H new ATOM 0 HE3 LYS A 75 20.131 -6.674 9.284 1.00 30.04 H new ATOM 0 HZ1 LYS A 75 21.892 -6.521 10.921 1.00 22.30 H new ATOM 0 HZ2 LYS A 75 22.484 -6.087 9.390 1.00 22.30 H new ATOM 0 HZ3 LYS A 75 22.153 -4.886 10.544 1.00 22.30 H new