USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=5 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 180:sc= -3.09 (180deg=-3.09) USER MOD Single : A 26 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 34 MET CE :methyl -121:sc= -7.29 (180deg=-12.4!) USER MOD Single : A 42 ASN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 83:sc= 1.22 USER MOD Single : A 51 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.31) 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= -1.2 K(o=-1.2,f=-3.4) 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 3.984 -1.190 -0.940 1.00 33.43 N ATOM 19 CA LYS A 2 5.394 -1.505 -0.745 1.00 61.22 C ATOM 20 C LYS A 2 5.888 -2.474 -1.815 1.00 32.23 C ATOM 21 O LYS A 2 6.681 -3.372 -1.533 1.00 62.51 O ATOM 22 CB LYS A 2 5.617 -2.106 0.645 1.00 73.15 C ATOM 23 CG LYS A 2 4.634 -3.210 0.995 1.00 55.43 C ATOM 24 CD LYS A 2 4.838 -3.709 2.415 1.00 3.11 C ATOM 25 CE LYS A 2 4.309 -5.124 2.590 1.00 12.13 C ATOM 26 NZ LYS A 2 3.000 -5.142 3.300 1.00 74.53 N ATOM 0 HA LYS A 2 5.962 -0.579 -0.828 1.00 61.22 H new ATOM 0 HB2 LYS A 2 6.631 -2.502 0.702 1.00 73.15 H new ATOM 0 HB3 LYS A 2 5.542 -1.314 1.390 1.00 73.15 H new ATOM 0 HG2 LYS A 2 3.615 -2.840 0.881 1.00 55.43 H new ATOM 0 HG3 LYS A 2 4.752 -4.039 0.297 1.00 55.43 H new ATOM 0 HD2 LYS A 2 5.899 -3.683 2.662 1.00 3.11 H new ATOM 0 HD3 LYS A 2 4.332 -3.041 3.113 1.00 3.11 H new ATOM 0 HE2 LYS A 2 4.199 -5.594 1.613 1.00 12.13 H new ATOM 0 HE3 LYS A 2 5.034 -5.716 3.149 1.00 12.13 H new ATOM 0 HZ1 LYS A 2 2.673 -6.124 3.400 1.00 74.53 H new ATOM 0 HZ2 LYS A 2 3.110 -4.716 4.242 1.00 74.53 H new ATOM 0 HZ3 LYS A 2 2.302 -4.598 2.754 1.00 74.53 H new ATOM 40 N ARG A 3 5.415 -2.285 -3.042 1.00 75.11 N ATOM 41 CA ARG A 3 5.808 -3.143 -4.153 1.00 45.44 C ATOM 42 C ARG A 3 5.983 -2.329 -5.433 1.00 32.05 C ATOM 43 O ARG A 3 5.516 -1.193 -5.527 1.00 24.51 O ATOM 44 CB ARG A 3 4.766 -4.241 -4.373 1.00 1.53 C ATOM 45 CG ARG A 3 3.414 -3.715 -4.827 1.00 1.13 C ATOM 46 CD ARG A 3 2.410 -3.702 -3.685 1.00 55.11 C ATOM 47 NE ARG A 3 1.710 -4.978 -3.557 1.00 1.51 N ATOM 48 CZ ARG A 3 0.744 -5.372 -4.379 1.00 12.32 C ATOM 49 NH1 ARG A 3 0.365 -4.593 -5.383 1.00 73.40 N ATOM 50 NH2 ARG A 3 0.155 -6.547 -4.197 1.00 50.21 N ATOM 0 H ARG A 3 4.759 -1.545 -3.292 1.00 75.11 H new ATOM 0 HA ARG A 3 6.763 -3.604 -3.902 1.00 45.44 H new ATOM 0 HB2 ARG A 3 5.142 -4.943 -5.117 1.00 1.53 H new ATOM 0 HB3 ARG A 3 4.637 -4.799 -3.445 1.00 1.53 H new ATOM 0 HG2 ARG A 3 3.529 -2.706 -5.223 1.00 1.13 H new ATOM 0 HG3 ARG A 3 3.035 -4.335 -5.639 1.00 1.13 H new ATOM 0 HD2 ARG A 3 2.926 -3.476 -2.752 1.00 55.11 H new ATOM 0 HD3 ARG A 3 1.684 -2.905 -3.849 1.00 55.11 H new ATOM 0 HE ARG A 3 1.978 -5.600 -2.795 1.00 1.51 H new ATOM 0 HH11 ARG A 3 0.816 -3.689 -5.525 1.00 73.40 H new ATOM 0 HH12 ARG A 3 -0.377 -4.898 -6.013 1.00 73.40 H new ATOM 0 HH21 ARG A 3 0.444 -7.148 -3.425 1.00 50.21 H new ATOM 0 HH22 ARG A 3 -0.587 -6.849 -4.829 1.00 50.21 H new ATOM 64 N PHE A 4 6.658 -2.917 -6.414 1.00 73.55 N ATOM 65 CA PHE A 4 6.895 -2.247 -7.688 1.00 22.14 C ATOM 66 C PHE A 4 6.608 -3.184 -8.857 1.00 42.14 C ATOM 67 O PHE A 4 7.252 -4.223 -9.007 1.00 13.21 O ATOM 68 CB PHE A 4 8.339 -1.746 -7.763 1.00 20.31 C ATOM 69 CG PHE A 4 8.451 -0.290 -8.114 1.00 31.13 C ATOM 70 CD1 PHE A 4 7.766 0.667 -7.382 1.00 72.24 C ATOM 71 CD2 PHE A 4 9.241 0.122 -9.174 1.00 65.24 C ATOM 72 CE1 PHE A 4 7.866 2.007 -7.704 1.00 5.23 C ATOM 73 CE2 PHE A 4 9.346 1.461 -9.500 1.00 43.01 C ATOM 74 CZ PHE A 4 8.659 2.405 -8.763 1.00 34.00 C ATOM 0 H PHE A 4 7.051 -3.856 -6.352 1.00 73.55 H new ATOM 0 HA PHE A 4 6.218 -1.395 -7.754 1.00 22.14 H new ATOM 0 HB2 PHE A 4 8.825 -1.918 -6.803 1.00 20.31 H new ATOM 0 HB3 PHE A 4 8.881 -2.333 -8.505 1.00 20.31 H new ATOM 0 HD1 PHE A 4 7.147 0.362 -6.551 1.00 72.24 H new ATOM 0 HD2 PHE A 4 9.782 -0.612 -9.753 1.00 65.24 H new ATOM 0 HE1 PHE A 4 7.325 2.743 -7.128 1.00 5.23 H new ATOM 0 HE2 PHE A 4 9.965 1.768 -10.330 1.00 43.01 H new ATOM 0 HZ PHE A 4 8.741 3.452 -9.014 1.00 34.00 H new ATOM 84 N ASP A 5 5.638 -2.809 -9.683 1.00 53.13 N ATOM 85 CA ASP A 5 5.265 -3.614 -10.840 1.00 73.24 C ATOM 86 C ASP A 5 6.055 -3.191 -12.075 1.00 22.14 C ATOM 87 O ASP A 5 5.717 -2.207 -12.734 1.00 62.44 O ATOM 88 CB ASP A 5 3.765 -3.490 -11.113 1.00 32.01 C ATOM 89 CG ASP A 5 3.038 -4.812 -10.966 1.00 22.42 C ATOM 90 OD1 ASP A 5 2.691 -5.174 -9.822 1.00 53.04 O ATOM 91 OD2 ASP A 5 2.818 -5.486 -11.994 1.00 73.32 O ATOM 0 H ASP A 5 5.095 -1.952 -9.573 1.00 53.13 H new ATOM 0 HA ASP A 5 5.502 -4.655 -10.618 1.00 73.24 H new ATOM 0 HB2 ASP A 5 3.333 -2.763 -10.426 1.00 32.01 H new ATOM 0 HB3 ASP A 5 3.613 -3.105 -12.121 1.00 32.01 H new ATOM 96 N LEU A 6 7.110 -3.939 -12.380 1.00 75.25 N ATOM 97 CA LEU A 6 7.950 -3.641 -13.535 1.00 73.43 C ATOM 98 C LEU A 6 7.506 -4.445 -14.753 1.00 71.13 C ATOM 99 O LEU A 6 8.163 -4.426 -15.795 1.00 34.55 O ATOM 100 CB LEU A 6 9.415 -3.944 -13.216 1.00 72.24 C ATOM 101 CG LEU A 6 10.123 -2.945 -12.300 1.00 73.43 C ATOM 102 CD1 LEU A 6 9.990 -1.533 -12.847 1.00 52.51 C ATOM 103 CD2 LEU A 6 9.563 -3.027 -10.888 1.00 35.52 C ATOM 0 H LEU A 6 7.404 -4.756 -11.844 1.00 75.25 H new ATOM 0 HA LEU A 6 7.846 -2.581 -13.765 1.00 73.43 H new ATOM 0 HB2 LEU A 6 9.469 -4.930 -12.755 1.00 72.24 H new ATOM 0 HB3 LEU A 6 9.966 -4.000 -14.155 1.00 72.24 H new ATOM 0 HG LEU A 6 11.182 -3.201 -12.265 1.00 73.43 H new ATOM 0 HD11 LEU A 6 10.500 -0.836 -12.182 1.00 52.51 H new ATOM 0 HD12 LEU A 6 10.439 -1.483 -13.839 1.00 52.51 H new ATOM 0 HD13 LEU A 6 8.935 -1.266 -12.913 1.00 52.51 H new ATOM 0 HD21 LEU A 6 10.078 -2.309 -10.250 1.00 35.52 H new ATOM 0 HD22 LEU A 6 8.498 -2.798 -10.905 1.00 35.52 H new ATOM 0 HD23 LEU A 6 9.711 -4.033 -10.496 1.00 35.52 H new ATOM 115 N ARG A 7 6.387 -5.148 -14.616 1.00 74.30 N ATOM 116 CA ARG A 7 5.854 -5.958 -15.706 1.00 3.34 C ATOM 117 C ARG A 7 5.771 -5.146 -16.995 1.00 73.21 C ATOM 118 O ARG A 7 6.395 -5.473 -18.005 1.00 11.03 O ATOM 119 CB ARG A 7 4.470 -6.497 -15.339 1.00 65.44 C ATOM 120 CG ARG A 7 4.407 -8.014 -15.270 1.00 23.44 C ATOM 121 CD ARG A 7 3.166 -8.487 -14.528 1.00 44.25 C ATOM 122 NE ARG A 7 1.976 -8.450 -15.374 1.00 44.13 N ATOM 123 CZ ARG A 7 1.777 -9.271 -16.399 1.00 63.30 C ATOM 124 NH1 ARG A 7 2.684 -10.189 -16.703 1.00 24.30 N ATOM 125 NH2 ARG A 7 0.669 -9.176 -17.122 1.00 14.22 N ATOM 0 H ARG A 7 5.831 -5.173 -13.761 1.00 74.30 H new ATOM 0 HA ARG A 7 6.531 -6.797 -15.868 1.00 3.34 H new ATOM 0 HB2 ARG A 7 4.173 -6.085 -14.375 1.00 65.44 H new ATOM 0 HB3 ARG A 7 3.746 -6.145 -16.073 1.00 65.44 H new ATOM 0 HG2 ARG A 7 4.408 -8.426 -16.279 1.00 23.44 H new ATOM 0 HG3 ARG A 7 5.298 -8.394 -14.770 1.00 23.44 H new ATOM 0 HD2 ARG A 7 3.324 -9.504 -14.169 1.00 44.25 H new ATOM 0 HD3 ARG A 7 3.007 -7.860 -13.651 1.00 44.25 H new ATOM 0 HE ARG A 7 1.258 -7.756 -15.166 1.00 44.13 H new ATOM 0 HH11 ARG A 7 3.537 -10.266 -16.149 1.00 24.30 H new ATOM 0 HH12 ARG A 7 2.529 -10.818 -17.491 1.00 24.30 H new ATOM 0 HH21 ARG A 7 -0.032 -8.472 -16.891 1.00 14.22 H new ATOM 0 HH22 ARG A 7 0.518 -9.807 -17.909 1.00 14.22 H new ATOM 139 N PRO A 8 4.981 -4.063 -16.963 1.00 13.35 N ATOM 140 CA PRO A 8 4.797 -3.182 -18.120 1.00 34.20 C ATOM 141 C PRO A 8 6.052 -2.378 -18.442 1.00 74.43 C ATOM 142 O PRO A 8 6.142 -1.744 -19.495 1.00 30.35 O ATOM 143 CB PRO A 8 3.663 -2.251 -17.681 1.00 25.41 C ATOM 144 CG PRO A 8 3.736 -2.243 -16.193 1.00 14.41 C ATOM 145 CD PRO A 8 4.207 -3.613 -15.793 1.00 71.40 C ATOM 0 HA PRO A 8 4.578 -3.743 -19.029 1.00 34.20 H new ATOM 0 HB2 PRO A 8 3.793 -1.249 -18.089 1.00 25.41 H new ATOM 0 HB3 PRO A 8 2.696 -2.614 -18.028 1.00 25.41 H new ATOM 0 HG2 PRO A 8 4.425 -1.475 -15.840 1.00 14.41 H new ATOM 0 HG3 PRO A 8 2.762 -2.022 -15.756 1.00 14.41 H new ATOM 0 HD2 PRO A 8 4.821 -3.580 -14.893 1.00 71.40 H new ATOM 0 HD3 PRO A 8 3.371 -4.280 -15.584 1.00 71.40 H new ATOM 153 N LEU A 9 7.018 -2.409 -17.532 1.00 1.25 N ATOM 154 CA LEU A 9 8.270 -1.683 -17.719 1.00 55.13 C ATOM 155 C LEU A 9 9.222 -2.463 -18.620 1.00 32.32 C ATOM 156 O LEU A 9 9.183 -3.693 -18.666 1.00 33.02 O ATOM 157 CB LEU A 9 8.933 -1.413 -16.368 1.00 23.32 C ATOM 158 CG LEU A 9 8.996 0.051 -15.931 1.00 32.31 C ATOM 159 CD1 LEU A 9 8.086 0.290 -14.736 1.00 5.43 C ATOM 160 CD2 LEU A 9 10.427 0.449 -15.603 1.00 24.35 C ATOM 0 H LEU A 9 6.959 -2.929 -16.657 1.00 1.25 H new ATOM 0 HA LEU A 9 8.042 -0.732 -18.200 1.00 55.13 H new ATOM 0 HB2 LEU A 9 8.397 -1.976 -15.604 1.00 23.32 H new ATOM 0 HB3 LEU A 9 9.949 -1.806 -16.400 1.00 23.32 H new ATOM 0 HG LEU A 9 8.648 0.672 -16.756 1.00 32.31 H new ATOM 0 HD11 LEU A 9 8.143 1.337 -14.439 1.00 5.43 H new ATOM 0 HD12 LEU A 9 7.059 0.045 -15.006 1.00 5.43 H new ATOM 0 HD13 LEU A 9 8.403 -0.341 -13.906 1.00 5.43 H new ATOM 0 HD21 LEU A 9 10.452 1.494 -15.294 1.00 24.35 H new ATOM 0 HD22 LEU A 9 10.803 -0.178 -14.794 1.00 24.35 H new ATOM 0 HD23 LEU A 9 11.053 0.316 -16.485 1.00 24.35 H new ATOM 172 N LYS A 10 10.079 -1.741 -19.333 1.00 54.43 N ATOM 173 CA LYS A 10 11.044 -2.364 -20.230 1.00 44.24 C ATOM 174 C LYS A 10 12.359 -2.640 -19.508 1.00 1.53 C ATOM 175 O LYS A 10 12.642 -2.046 -18.467 1.00 65.44 O ATOM 176 CB LYS A 10 11.296 -1.467 -21.445 1.00 20.23 C ATOM 177 CG LYS A 10 12.123 -0.233 -21.129 1.00 14.35 C ATOM 178 CD LYS A 10 12.284 0.658 -22.349 1.00 30.01 C ATOM 179 CE LYS A 10 11.055 1.526 -22.572 1.00 71.30 C ATOM 180 NZ LYS A 10 10.310 1.127 -23.798 1.00 54.11 N ATOM 0 H LYS A 10 10.125 -0.722 -19.307 1.00 54.43 H new ATOM 0 HA LYS A 10 10.628 -3.314 -20.567 1.00 44.24 H new ATOM 0 HB2 LYS A 10 11.804 -2.047 -22.215 1.00 20.23 H new ATOM 0 HB3 LYS A 10 10.338 -1.155 -21.861 1.00 20.23 H new ATOM 0 HG2 LYS A 10 11.646 0.330 -20.327 1.00 14.35 H new ATOM 0 HG3 LYS A 10 13.105 -0.535 -20.766 1.00 14.35 H new ATOM 0 HD2 LYS A 10 13.161 1.293 -22.224 1.00 30.01 H new ATOM 0 HD3 LYS A 10 12.460 0.041 -23.230 1.00 30.01 H new ATOM 0 HE2 LYS A 10 10.396 1.452 -21.707 1.00 71.30 H new ATOM 0 HE3 LYS A 10 11.358 2.570 -22.654 1.00 71.30 H new ATOM 0 HZ1 LYS A 10 9.480 1.742 -23.915 1.00 54.11 H new ATOM 0 HZ2 LYS A 10 10.930 1.221 -24.627 1.00 54.11 H new ATOM 0 HZ3 LYS A 10 9.999 0.139 -23.709 1.00 54.11 H new ATOM 194 N ALA A 11 13.159 -3.542 -20.067 1.00 14.11 N ATOM 195 CA ALA A 11 14.445 -3.893 -19.477 1.00 54.03 C ATOM 196 C ALA A 11 15.424 -2.727 -19.562 1.00 70.23 C ATOM 197 O ALA A 11 15.426 -1.975 -20.536 1.00 12.02 O ATOM 198 CB ALA A 11 15.022 -5.121 -20.164 1.00 64.43 C ATOM 0 H ALA A 11 12.939 -4.043 -20.928 1.00 14.11 H new ATOM 0 HA ALA A 11 14.284 -4.122 -18.423 1.00 54.03 H new ATOM 0 HB1 ALA A 11 15.982 -5.372 -19.714 1.00 64.43 H new ATOM 0 HB2 ALA A 11 14.336 -5.960 -20.047 1.00 64.43 H new ATOM 0 HB3 ALA A 11 15.162 -4.912 -21.225 1.00 64.43 H new ATOM 204 N GLY A 12 16.256 -2.583 -18.535 1.00 40.02 N ATOM 205 CA GLY A 12 17.228 -1.506 -18.514 1.00 2.33 C ATOM 206 C GLY A 12 16.837 -0.391 -17.564 1.00 40.45 C ATOM 207 O GLY A 12 17.678 0.137 -16.836 1.00 62.11 O ATOM 0 H GLY A 12 16.274 -3.193 -17.718 1.00 40.02 H new ATOM 0 HA2 GLY A 12 18.200 -1.904 -18.222 1.00 2.33 H new ATOM 0 HA3 GLY A 12 17.338 -1.100 -19.520 1.00 2.33 H new ATOM 211 N ILE A 13 15.558 -0.030 -17.573 1.00 43.43 N ATOM 212 CA ILE A 13 15.058 1.031 -16.707 1.00 24.52 C ATOM 213 C ILE A 13 14.363 0.454 -15.478 1.00 55.34 C ATOM 214 O ILE A 13 14.347 1.072 -14.414 1.00 13.14 O ATOM 215 CB ILE A 13 14.076 1.952 -17.454 1.00 44.21 C ATOM 216 CG1 ILE A 13 14.663 2.371 -18.804 1.00 12.23 C ATOM 217 CG2 ILE A 13 13.751 3.175 -16.609 1.00 75.24 C ATOM 218 CD1 ILE A 13 13.746 3.264 -19.610 1.00 12.11 C ATOM 0 H ILE A 13 14.849 -0.456 -18.170 1.00 43.43 H new ATOM 0 HA ILE A 13 15.922 1.616 -16.392 1.00 24.52 H new ATOM 0 HB ILE A 13 13.152 1.404 -17.635 1.00 44.21 H new ATOM 0 HG12 ILE A 13 15.607 2.890 -18.636 1.00 12.23 H new ATOM 0 HG13 ILE A 13 14.890 1.477 -19.385 1.00 12.23 H new ATOM 0 HG21 ILE A 13 13.056 3.817 -17.150 1.00 75.24 H new ATOM 0 HG22 ILE A 13 13.297 2.858 -15.670 1.00 75.24 H new ATOM 0 HG23 ILE A 13 14.667 3.727 -16.401 1.00 75.24 H new ATOM 0 HD11 ILE A 13 14.226 3.522 -20.554 1.00 12.11 H new ATOM 0 HD12 ILE A 13 12.811 2.740 -19.810 1.00 12.11 H new ATOM 0 HD13 ILE A 13 13.539 4.175 -19.048 1.00 12.11 H new ATOM 230 N PHE A 14 13.789 -0.735 -15.633 1.00 42.42 N ATOM 231 CA PHE A 14 13.092 -1.396 -14.536 1.00 41.22 C ATOM 232 C PHE A 14 14.028 -1.616 -13.351 1.00 70.34 C ATOM 233 O PHE A 14 13.590 -1.668 -12.203 1.00 34.31 O ATOM 234 CB PHE A 14 12.517 -2.735 -15.003 1.00 2.23 C ATOM 235 CG PHE A 14 13.530 -3.844 -15.034 1.00 51.43 C ATOM 236 CD1 PHE A 14 14.658 -3.747 -15.833 1.00 1.34 C ATOM 237 CD2 PHE A 14 13.353 -4.983 -14.266 1.00 23.10 C ATOM 238 CE1 PHE A 14 15.592 -4.765 -15.864 1.00 22.02 C ATOM 239 CE2 PHE A 14 14.284 -6.004 -14.293 1.00 21.33 C ATOM 240 CZ PHE A 14 15.404 -5.896 -15.094 1.00 3.25 C ATOM 0 H PHE A 14 13.793 -1.260 -16.507 1.00 42.42 H new ATOM 0 HA PHE A 14 12.275 -0.750 -14.215 1.00 41.22 H new ATOM 0 HB2 PHE A 14 11.698 -3.020 -14.342 1.00 2.23 H new ATOM 0 HB3 PHE A 14 12.094 -2.612 -16.000 1.00 2.23 H new ATOM 0 HD1 PHE A 14 14.809 -2.866 -16.439 1.00 1.34 H new ATOM 0 HD2 PHE A 14 12.478 -5.074 -13.639 1.00 23.10 H new ATOM 0 HE1 PHE A 14 16.468 -4.676 -16.490 1.00 22.02 H new ATOM 0 HE2 PHE A 14 14.136 -6.886 -13.688 1.00 21.33 H new ATOM 0 HZ PHE A 14 16.131 -6.694 -15.118 1.00 3.25 H new ATOM 250 N GLU A 15 15.319 -1.746 -13.641 1.00 0.22 N ATOM 251 CA GLU A 15 16.317 -1.962 -12.599 1.00 74.35 C ATOM 252 C GLU A 15 16.751 -0.638 -11.978 1.00 54.11 C ATOM 253 O GLU A 15 17.153 -0.588 -10.816 1.00 10.14 O ATOM 254 CB GLU A 15 17.533 -2.693 -13.172 1.00 2.23 C ATOM 255 CG GLU A 15 18.710 -2.759 -12.213 1.00 0.12 C ATOM 256 CD GLU A 15 19.833 -1.817 -12.601 1.00 53.52 C ATOM 257 OE1 GLU A 15 20.243 -1.836 -13.780 1.00 65.12 O ATOM 258 OE2 GLU A 15 20.300 -1.059 -11.725 1.00 42.12 O ATOM 0 H GLU A 15 15.698 -1.706 -14.587 1.00 0.22 H new ATOM 0 HA GLU A 15 15.866 -2.577 -11.820 1.00 74.35 H new ATOM 0 HB2 GLU A 15 17.241 -3.707 -13.446 1.00 2.23 H new ATOM 0 HB3 GLU A 15 17.849 -2.193 -14.088 1.00 2.23 H new ATOM 0 HG2 GLU A 15 18.368 -2.516 -11.207 1.00 0.12 H new ATOM 0 HG3 GLU A 15 19.092 -3.780 -12.182 1.00 0.12 H new ATOM 265 N ARG A 16 16.666 0.432 -12.762 1.00 4.34 N ATOM 266 CA ARG A 16 17.052 1.757 -12.290 1.00 32.22 C ATOM 267 C ARG A 16 15.940 2.380 -11.450 1.00 24.50 C ATOM 268 O ARG A 16 16.202 3.021 -10.431 1.00 61.33 O ATOM 269 CB ARG A 16 17.382 2.667 -13.474 1.00 10.30 C ATOM 270 CG ARG A 16 18.865 2.723 -13.804 1.00 55.15 C ATOM 271 CD ARG A 16 19.096 2.885 -15.299 1.00 25.44 C ATOM 272 NE ARG A 16 19.612 4.210 -15.632 1.00 73.35 N ATOM 273 CZ ARG A 16 20.890 4.552 -15.516 1.00 70.14 C ATOM 274 NH1 ARG A 16 21.778 3.671 -15.077 1.00 63.25 N ATOM 275 NH2 ARG A 16 21.282 5.778 -15.840 1.00 61.51 N ATOM 0 H ARG A 16 16.334 0.408 -13.726 1.00 4.34 H new ATOM 0 HA ARG A 16 17.939 1.649 -11.665 1.00 32.22 H new ATOM 0 HB2 ARG A 16 16.836 2.320 -14.351 1.00 10.30 H new ATOM 0 HB3 ARG A 16 17.028 3.675 -13.256 1.00 10.30 H new ATOM 0 HG2 ARG A 16 19.327 3.554 -13.271 1.00 55.15 H new ATOM 0 HG3 ARG A 16 19.351 1.812 -13.456 1.00 55.15 H new ATOM 0 HD2 ARG A 16 19.799 2.126 -15.642 1.00 25.44 H new ATOM 0 HD3 ARG A 16 18.160 2.716 -15.831 1.00 25.44 H new ATOM 0 HE ARG A 16 18.954 4.912 -15.972 1.00 73.35 H new ATOM 0 HH11 ARG A 16 21.480 2.728 -14.827 1.00 63.25 H new ATOM 0 HH12 ARG A 16 22.759 3.936 -14.989 1.00 63.25 H new ATOM 0 HH21 ARG A 16 20.601 6.458 -16.178 1.00 61.51 H new ATOM 0 HH22 ARG A 16 22.264 6.040 -15.751 1.00 61.51 H new ATOM 289 N LEU A 17 14.700 2.187 -11.884 1.00 53.10 N ATOM 290 CA LEU A 17 13.547 2.730 -11.173 1.00 5.11 C ATOM 291 C LEU A 17 13.353 2.026 -9.834 1.00 75.20 C ATOM 292 O LEU A 17 12.795 2.597 -8.897 1.00 61.24 O ATOM 293 CB LEU A 17 12.285 2.589 -12.025 1.00 12.32 C ATOM 294 CG LEU A 17 11.552 3.889 -12.358 1.00 15.11 C ATOM 295 CD1 LEU A 17 11.035 4.551 -11.090 1.00 23.12 C ATOM 296 CD2 LEU A 17 12.465 4.836 -13.122 1.00 3.20 C ATOM 0 H LEU A 17 14.466 1.659 -12.725 1.00 53.10 H new ATOM 0 HA LEU A 17 13.732 3.787 -10.983 1.00 5.11 H new ATOM 0 HB2 LEU A 17 12.555 2.098 -12.960 1.00 12.32 H new ATOM 0 HB3 LEU A 17 11.592 1.927 -11.505 1.00 12.32 H new ATOM 0 HG LEU A 17 10.698 3.649 -12.992 1.00 15.11 H new ATOM 0 HD11 LEU A 17 10.516 5.475 -11.347 1.00 23.12 H new ATOM 0 HD12 LEU A 17 10.345 3.877 -10.583 1.00 23.12 H new ATOM 0 HD13 LEU A 17 11.873 4.777 -10.430 1.00 23.12 H new ATOM 0 HD21 LEU A 17 11.926 5.756 -13.350 1.00 3.20 H new ATOM 0 HD22 LEU A 17 13.339 5.069 -12.514 1.00 3.20 H new ATOM 0 HD23 LEU A 17 12.785 4.363 -14.050 1.00 3.20 H new ATOM 308 N GLU A 18 13.818 0.783 -9.752 1.00 14.15 N ATOM 309 CA GLU A 18 13.695 0.002 -8.526 1.00 41.12 C ATOM 310 C GLU A 18 14.377 0.711 -7.359 1.00 75.40 C ATOM 311 O GLU A 18 14.021 0.500 -6.200 1.00 4.21 O ATOM 312 CB GLU A 18 14.304 -1.389 -8.718 1.00 54.55 C ATOM 313 CG GLU A 18 13.403 -2.518 -8.245 1.00 45.55 C ATOM 314 CD GLU A 18 13.079 -3.506 -9.349 1.00 13.13 C ATOM 315 OE1 GLU A 18 12.446 -3.096 -10.344 1.00 54.12 O ATOM 316 OE2 GLU A 18 13.457 -4.689 -9.217 1.00 11.51 O ATOM 0 H GLU A 18 14.282 0.296 -10.518 1.00 14.15 H new ATOM 0 HA GLU A 18 12.635 -0.102 -8.296 1.00 41.12 H new ATOM 0 HB2 GLU A 18 14.531 -1.535 -9.774 1.00 54.55 H new ATOM 0 HB3 GLU A 18 15.250 -1.440 -8.179 1.00 54.55 H new ATOM 0 HG2 GLU A 18 13.887 -3.044 -7.422 1.00 45.55 H new ATOM 0 HG3 GLU A 18 12.476 -2.099 -7.854 1.00 45.55 H new ATOM 323 N GLU A 19 15.357 1.550 -7.675 1.00 45.23 N ATOM 324 CA GLU A 19 16.090 2.288 -6.653 1.00 15.42 C ATOM 325 C GLU A 19 15.314 3.528 -6.217 1.00 10.23 C ATOM 326 O GLU A 19 15.456 3.998 -5.087 1.00 33.43 O ATOM 327 CB GLU A 19 17.469 2.694 -7.175 1.00 5.12 C ATOM 328 CG GLU A 19 18.203 3.665 -6.265 1.00 23.43 C ATOM 329 CD GLU A 19 18.193 5.084 -6.797 1.00 5.51 C ATOM 330 OE1 GLU A 19 17.257 5.431 -7.547 1.00 4.11 O ATOM 331 OE2 GLU A 19 19.123 5.849 -6.462 1.00 53.15 O ATOM 0 H GLU A 19 15.662 1.736 -8.630 1.00 45.23 H new ATOM 0 HA GLU A 19 16.215 1.635 -5.789 1.00 15.42 H new ATOM 0 HB2 GLU A 19 18.078 1.799 -7.303 1.00 5.12 H new ATOM 0 HB3 GLU A 19 17.356 3.147 -8.160 1.00 5.12 H new ATOM 0 HG2 GLU A 19 17.744 3.648 -5.277 1.00 23.43 H new ATOM 0 HG3 GLU A 19 19.234 3.334 -6.143 1.00 23.43 H new ATOM 338 N LEU A 20 14.495 4.054 -7.120 1.00 55.23 N ATOM 339 CA LEU A 20 13.696 5.240 -6.830 1.00 51.15 C ATOM 340 C LEU A 20 12.664 4.950 -5.745 1.00 61.12 C ATOM 341 O LEU A 20 12.278 5.841 -4.988 1.00 24.12 O ATOM 342 CB LEU A 20 12.995 5.729 -8.099 1.00 11.50 C ATOM 343 CG LEU A 20 13.537 7.022 -8.710 1.00 5.15 C ATOM 344 CD1 LEU A 20 14.450 6.715 -9.887 1.00 35.40 C ATOM 345 CD2 LEU A 20 12.394 7.929 -9.141 1.00 2.22 C ATOM 0 H LEU A 20 14.366 3.678 -8.060 1.00 55.23 H new ATOM 0 HA LEU A 20 14.366 6.020 -6.468 1.00 51.15 H new ATOM 0 HB2 LEU A 20 13.057 4.942 -8.850 1.00 11.50 H new ATOM 0 HB3 LEU A 20 11.938 5.872 -7.874 1.00 11.50 H new ATOM 0 HG LEU A 20 14.120 7.543 -7.951 1.00 5.15 H new ATOM 0 HD11 LEU A 20 14.826 7.647 -10.309 1.00 35.40 H new ATOM 0 HD12 LEU A 20 15.288 6.106 -9.548 1.00 35.40 H new ATOM 0 HD13 LEU A 20 13.891 6.171 -10.649 1.00 35.40 H new ATOM 0 HD21 LEU A 20 12.799 8.844 -9.573 1.00 2.22 H new ATOM 0 HD22 LEU A 20 11.783 7.416 -9.884 1.00 2.22 H new ATOM 0 HD23 LEU A 20 11.780 8.177 -8.275 1.00 2.22 H new ATOM 357 N ILE A 21 12.223 3.699 -5.675 1.00 21.51 N ATOM 358 CA ILE A 21 11.239 3.291 -4.680 1.00 71.21 C ATOM 359 C ILE A 21 11.915 2.858 -3.383 1.00 54.23 C ATOM 360 O ILE A 21 11.351 3.005 -2.300 1.00 34.03 O ATOM 361 CB ILE A 21 10.360 2.137 -5.198 1.00 21.33 C ATOM 362 CG1 ILE A 21 9.341 1.726 -4.133 1.00 73.02 C ATOM 363 CG2 ILE A 21 11.225 0.950 -5.596 1.00 50.23 C ATOM 364 CD1 ILE A 21 8.441 2.858 -3.689 1.00 44.30 C ATOM 0 H ILE A 21 12.531 2.950 -6.295 1.00 21.51 H new ATOM 0 HA ILE A 21 10.608 4.159 -4.486 1.00 71.21 H new ATOM 0 HB ILE A 21 9.819 2.480 -6.080 1.00 21.33 H new ATOM 0 HG12 ILE A 21 8.726 0.916 -4.524 1.00 73.02 H new ATOM 0 HG13 ILE A 21 9.872 1.333 -3.266 1.00 73.02 H new ATOM 0 HG21 ILE A 21 10.590 0.143 -5.960 1.00 50.23 H new ATOM 0 HG22 ILE A 21 11.916 1.251 -6.383 1.00 50.23 H new ATOM 0 HG23 ILE A 21 11.790 0.605 -4.730 1.00 50.23 H new ATOM 0 HD11 ILE A 21 7.745 2.494 -2.934 1.00 44.30 H new ATOM 0 HD12 ILE A 21 9.047 3.660 -3.268 1.00 44.30 H new ATOM 0 HD13 ILE A 21 7.883 3.236 -4.545 1.00 44.30 H new ATOM 376 N GLU A 22 13.127 2.326 -3.503 1.00 50.00 N ATOM 377 CA GLU A 22 13.880 1.873 -2.339 1.00 50.23 C ATOM 378 C GLU A 22 14.090 3.015 -1.349 1.00 13.01 C ATOM 379 O GLU A 22 14.219 2.792 -0.145 1.00 11.41 O ATOM 380 CB GLU A 22 15.233 1.302 -2.770 1.00 53.20 C ATOM 381 CG GLU A 22 15.409 -0.168 -2.429 1.00 41.11 C ATOM 382 CD GLU A 22 14.516 -1.070 -3.258 1.00 63.43 C ATOM 383 OE1 GLU A 22 13.576 -0.552 -3.895 1.00 74.33 O ATOM 384 OE2 GLU A 22 14.759 -2.295 -3.270 1.00 60.51 O ATOM 0 H GLU A 22 13.608 2.198 -4.393 1.00 50.00 H new ATOM 0 HA GLU A 22 13.303 1.090 -1.847 1.00 50.23 H new ATOM 0 HB2 GLU A 22 15.347 1.433 -3.846 1.00 53.20 H new ATOM 0 HB3 GLU A 22 16.028 1.875 -2.293 1.00 53.20 H new ATOM 0 HG2 GLU A 22 16.450 -0.451 -2.585 1.00 41.11 H new ATOM 0 HG3 GLU A 22 15.192 -0.320 -1.372 1.00 41.11 H new ATOM 391 N LYS A 23 14.123 4.239 -1.865 1.00 0.12 N ATOM 392 CA LYS A 23 14.316 5.417 -1.028 1.00 42.51 C ATOM 393 C LYS A 23 13.128 5.622 -0.094 1.00 22.14 C ATOM 394 O LYS A 23 13.286 6.098 1.030 1.00 42.21 O ATOM 395 CB LYS A 23 14.513 6.660 -1.899 1.00 41.23 C ATOM 396 CG LYS A 23 15.967 7.070 -2.055 1.00 24.05 C ATOM 397 CD LYS A 23 16.247 7.618 -3.444 1.00 21.20 C ATOM 398 CE LYS A 23 15.730 9.040 -3.597 1.00 2.12 C ATOM 399 NZ LYS A 23 14.430 9.083 -4.322 1.00 20.25 N ATOM 0 H LYS A 23 14.019 4.441 -2.859 1.00 0.12 H new ATOM 0 HA LYS A 23 15.209 5.259 -0.423 1.00 42.51 H new ATOM 0 HB2 LYS A 23 14.089 6.473 -2.886 1.00 41.23 H new ATOM 0 HB3 LYS A 23 13.955 7.490 -1.465 1.00 41.23 H new ATOM 0 HG2 LYS A 23 16.215 7.825 -1.309 1.00 24.05 H new ATOM 0 HG3 LYS A 23 16.610 6.211 -1.866 1.00 24.05 H new ATOM 0 HD2 LYS A 23 17.320 7.597 -3.635 1.00 21.20 H new ATOM 0 HD3 LYS A 23 15.778 6.977 -4.191 1.00 21.20 H new ATOM 0 HE2 LYS A 23 15.611 9.491 -2.612 1.00 2.12 H new ATOM 0 HE3 LYS A 23 16.466 9.638 -4.135 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 14.112 10.070 -4.406 1.00 20.25 H new ATOM 0 HZ2 LYS A 23 14.548 8.676 -5.272 1.00 20.25 H new ATOM 0 HZ3 LYS A 23 13.721 8.534 -3.796 1.00 20.25 H new ATOM 413 N GLU A 24 11.940 5.257 -0.565 1.00 40.35 N ATOM 414 CA GLU A 24 10.726 5.401 0.230 1.00 62.23 C ATOM 415 C GLU A 24 10.571 4.234 1.201 1.00 51.10 C ATOM 416 O GLU A 24 10.228 4.425 2.367 1.00 15.32 O ATOM 417 CB GLU A 24 9.500 5.487 -0.682 1.00 21.34 C ATOM 418 CG GLU A 24 8.597 6.670 -0.377 1.00 41.22 C ATOM 419 CD GLU A 24 7.155 6.260 -0.149 1.00 2.33 C ATOM 420 OE1 GLU A 24 6.483 5.885 -1.132 1.00 53.41 O ATOM 421 OE2 GLU A 24 6.699 6.314 1.012 1.00 3.45 O ATOM 0 H GLU A 24 11.792 4.860 -1.493 1.00 40.35 H new ATOM 0 HA GLU A 24 10.806 6.323 0.806 1.00 62.23 H new ATOM 0 HB2 GLU A 24 9.832 5.552 -1.718 1.00 21.34 H new ATOM 0 HB3 GLU A 24 8.923 4.567 -0.589 1.00 21.34 H new ATOM 0 HG2 GLU A 24 8.968 7.187 0.508 1.00 41.22 H new ATOM 0 HG3 GLU A 24 8.643 7.380 -1.203 1.00 41.22 H new ATOM 428 N MET A 25 10.826 3.026 0.710 1.00 31.45 N ATOM 429 CA MET A 25 10.715 1.828 1.535 1.00 62.32 C ATOM 430 C MET A 25 11.519 1.978 2.823 1.00 72.24 C ATOM 431 O MET A 25 12.540 2.664 2.850 1.00 22.32 O ATOM 432 CB MET A 25 11.199 0.602 0.758 1.00 71.40 C ATOM 433 CG MET A 25 10.255 0.176 -0.355 1.00 44.54 C ATOM 434 SD MET A 25 9.190 -1.197 0.124 1.00 55.41 S ATOM 435 CE MET A 25 8.704 -0.689 1.772 1.00 62.33 C ATOM 0 H MET A 25 11.111 2.850 -0.254 1.00 31.45 H new ATOM 0 HA MET A 25 9.666 1.693 1.797 1.00 62.32 H new ATOM 0 HB2 MET A 25 12.178 0.816 0.330 1.00 71.40 H new ATOM 0 HB3 MET A 25 11.329 -0.229 1.451 1.00 71.40 H new ATOM 0 HG2 MET A 25 9.637 1.025 -0.647 1.00 44.54 H new ATOM 0 HG3 MET A 25 10.838 -0.110 -1.231 1.00 44.54 H new ATOM 0 HE1 MET A 25 8.041 -1.439 2.203 1.00 62.33 H new ATOM 0 HE2 MET A 25 9.591 -0.586 2.397 1.00 62.33 H new ATOM 0 HE3 MET A 25 8.184 0.268 1.719 1.00 62.33 H new ATOM 445 N GLN A 26 11.050 1.333 3.886 1.00 62.51 N ATOM 446 CA GLN A 26 11.726 1.396 5.176 1.00 12.25 C ATOM 447 C GLN A 26 13.050 0.641 5.136 1.00 61.35 C ATOM 448 O GLN A 26 13.290 -0.193 4.262 1.00 45.21 O ATOM 449 CB GLN A 26 10.830 0.819 6.274 1.00 52.41 C ATOM 450 CG GLN A 26 10.232 1.876 7.189 1.00 24.23 C ATOM 451 CD GLN A 26 9.939 1.346 8.579 1.00 61.31 C ATOM 452 OE1 GLN A 26 8.903 0.723 8.813 1.00 53.25 O ATOM 453 NE2 GLN A 26 10.853 1.590 9.511 1.00 31.20 N ATOM 0 H GLN A 26 10.205 0.761 3.879 1.00 62.51 H new ATOM 0 HA GLN A 26 11.933 2.443 5.397 1.00 12.25 H new ATOM 0 HB2 GLN A 26 10.022 0.252 5.812 1.00 52.41 H new ATOM 0 HB3 GLN A 26 11.410 0.117 6.873 1.00 52.41 H new ATOM 0 HG2 GLN A 26 10.920 2.718 7.263 1.00 24.23 H new ATOM 0 HG3 GLN A 26 9.310 2.255 6.747 1.00 24.23 H new ATOM 0 HE21 GLN A 26 11.697 2.110 9.273 1.00 31.20 H new ATOM 0 HE22 GLN A 26 10.711 1.257 10.465 1.00 31.20 H new ATOM 462 N PRO A 27 13.931 0.938 6.102 1.00 24.41 N ATOM 463 CA PRO A 27 15.246 0.297 6.198 1.00 5.22 C ATOM 464 C PRO A 27 15.149 -1.170 6.602 1.00 12.24 C ATOM 465 O PRO A 27 16.148 -1.887 6.618 1.00 42.11 O ATOM 466 CB PRO A 27 15.956 1.106 7.287 1.00 20.21 C ATOM 467 CG PRO A 27 14.856 1.669 8.119 1.00 74.43 C ATOM 468 CD PRO A 27 13.712 1.921 7.176 1.00 74.10 C ATOM 0 HA PRO A 27 15.768 0.293 5.241 1.00 5.22 H new ATOM 0 HB2 PRO A 27 16.618 0.475 7.880 1.00 20.21 H new ATOM 0 HB3 PRO A 27 16.570 1.896 6.856 1.00 20.21 H new ATOM 0 HG2 PRO A 27 14.567 0.973 8.906 1.00 74.43 H new ATOM 0 HG3 PRO A 27 15.169 2.591 8.608 1.00 74.43 H new ATOM 0 HD2 PRO A 27 12.749 1.774 7.665 1.00 74.10 H new ATOM 0 HD3 PRO A 27 13.723 2.942 6.794 1.00 74.10 H new ATOM 476 N ASN A 28 13.938 -1.610 6.929 1.00 53.45 N ATOM 477 CA ASN A 28 13.710 -2.992 7.333 1.00 31.21 C ATOM 478 C ASN A 28 12.356 -3.489 6.835 1.00 50.31 C ATOM 479 O ASN A 28 11.690 -4.279 7.503 1.00 64.44 O ATOM 480 CB ASN A 28 13.783 -3.118 8.856 1.00 20.41 C ATOM 481 CG ASN A 28 14.443 -4.410 9.298 1.00 31.32 C ATOM 482 OD1 ASN A 28 15.300 -4.412 10.182 1.00 11.20 O ATOM 483 ND2 ASN A 28 14.045 -5.518 8.683 1.00 25.10 N ATOM 0 H ASN A 28 13.100 -1.029 6.922 1.00 53.45 H new ATOM 0 HA ASN A 28 14.490 -3.608 6.886 1.00 31.21 H new ATOM 0 HB2 ASN A 28 14.338 -2.272 9.262 1.00 20.41 H new ATOM 0 HB3 ASN A 28 12.776 -3.067 9.271 1.00 20.41 H new ATOM 0 HD21 ASN A 28 14.453 -6.417 8.938 1.00 25.10 H new ATOM 0 HD22 ASN A 28 13.331 -5.469 7.956 1.00 25.10 H new ATOM 490 N GLU A 29 11.956 -3.019 5.657 1.00 1.24 N ATOM 491 CA GLU A 29 10.682 -3.415 5.070 1.00 34.34 C ATOM 492 C GLU A 29 10.898 -4.292 3.840 1.00 24.35 C ATOM 493 O GLU A 29 12.000 -4.354 3.295 1.00 61.05 O ATOM 494 CB GLU A 29 9.863 -2.179 4.691 1.00 31.52 C ATOM 495 CG GLU A 29 8.684 -1.924 5.615 1.00 54.35 C ATOM 496 CD GLU A 29 7.492 -2.807 5.298 1.00 44.13 C ATOM 497 OE1 GLU A 29 7.679 -4.036 5.178 1.00 43.45 O ATOM 498 OE2 GLU A 29 6.373 -2.268 5.170 1.00 32.31 O ATOM 0 H GLU A 29 12.496 -2.364 5.091 1.00 1.24 H new ATOM 0 HA GLU A 29 10.133 -3.992 5.814 1.00 34.34 H new ATOM 0 HB2 GLU A 29 10.515 -1.305 4.698 1.00 31.52 H new ATOM 0 HB3 GLU A 29 9.496 -2.295 3.671 1.00 31.52 H new ATOM 0 HG2 GLU A 29 8.993 -2.093 6.647 1.00 54.35 H new ATOM 0 HG3 GLU A 29 8.387 -0.878 5.539 1.00 54.35 H new ATOM 505 N VAL A 30 9.839 -4.970 3.410 1.00 50.01 N ATOM 506 CA VAL A 30 9.912 -5.843 2.245 1.00 70.42 C ATOM 507 C VAL A 30 9.436 -5.124 0.988 1.00 54.11 C ATOM 508 O VAL A 30 8.516 -4.308 1.038 1.00 34.15 O ATOM 509 CB VAL A 30 9.069 -7.117 2.444 1.00 23.14 C ATOM 510 CG1 VAL A 30 7.613 -6.855 2.090 1.00 24.43 C ATOM 511 CG2 VAL A 30 9.631 -8.262 1.615 1.00 32.32 C ATOM 0 H VAL A 30 8.920 -4.931 3.851 1.00 50.01 H new ATOM 0 HA VAL A 30 10.959 -6.123 2.126 1.00 70.42 H new ATOM 0 HB VAL A 30 9.116 -7.403 3.495 1.00 23.14 H new ATOM 0 HG11 VAL A 30 7.033 -7.766 2.237 1.00 24.43 H new ATOM 0 HG12 VAL A 30 7.219 -6.067 2.731 1.00 24.43 H new ATOM 0 HG13 VAL A 30 7.542 -6.544 1.048 1.00 24.43 H new ATOM 0 HG21 VAL A 30 9.023 -9.154 1.768 1.00 32.32 H new ATOM 0 HG22 VAL A 30 9.616 -7.989 0.560 1.00 32.32 H new ATOM 0 HG23 VAL A 30 10.657 -8.465 1.923 1.00 32.32 H new ATOM 521 N ALA A 31 10.068 -5.432 -0.139 1.00 60.45 N ATOM 522 CA ALA A 31 9.707 -4.817 -1.411 1.00 22.33 C ATOM 523 C ALA A 31 9.528 -5.870 -2.499 1.00 63.30 C ATOM 524 O ALA A 31 10.482 -6.547 -2.884 1.00 5.12 O ATOM 525 CB ALA A 31 10.763 -3.802 -1.824 1.00 75.22 C ATOM 0 H ALA A 31 10.833 -6.104 -0.198 1.00 60.45 H new ATOM 0 HA ALA A 31 8.755 -4.302 -1.281 1.00 22.33 H new ATOM 0 HB1 ALA A 31 10.481 -3.350 -2.775 1.00 75.22 H new ATOM 0 HB2 ALA A 31 10.839 -3.026 -1.062 1.00 75.22 H new ATOM 0 HB3 ALA A 31 11.726 -4.302 -1.931 1.00 75.22 H new ATOM 531 N ILE A 32 8.301 -6.004 -2.990 1.00 60.03 N ATOM 532 CA ILE A 32 7.998 -6.975 -4.035 1.00 3.14 C ATOM 533 C ILE A 32 8.084 -6.339 -5.418 1.00 14.11 C ATOM 534 O ILE A 32 7.240 -5.523 -5.791 1.00 62.31 O ATOM 535 CB ILE A 32 6.596 -7.584 -3.848 1.00 23.14 C ATOM 536 CG1 ILE A 32 6.587 -8.541 -2.653 1.00 41.43 C ATOM 537 CG2 ILE A 32 6.159 -8.305 -5.114 1.00 31.11 C ATOM 538 CD1 ILE A 32 5.461 -8.279 -1.678 1.00 53.12 C ATOM 0 H ILE A 32 7.500 -5.453 -2.681 1.00 60.03 H new ATOM 0 HA ILE A 32 8.743 -7.767 -3.955 1.00 3.14 H new ATOM 0 HB ILE A 32 5.889 -6.778 -3.650 1.00 23.14 H new ATOM 0 HG12 ILE A 32 6.510 -9.565 -3.018 1.00 41.43 H new ATOM 0 HG13 ILE A 32 7.538 -8.461 -2.127 1.00 41.43 H new ATOM 0 HG21 ILE A 32 5.166 -8.730 -4.966 1.00 31.11 H new ATOM 0 HG22 ILE A 32 6.132 -7.599 -5.944 1.00 31.11 H new ATOM 0 HG23 ILE A 32 6.866 -9.103 -5.340 1.00 31.11 H new ATOM 0 HD11 ILE A 32 5.517 -8.994 -0.857 1.00 53.12 H new ATOM 0 HD12 ILE A 32 5.549 -7.267 -1.284 1.00 53.12 H new ATOM 0 HD13 ILE A 32 4.504 -8.387 -2.189 1.00 53.12 H new ATOM 550 N PHE A 33 9.107 -6.719 -6.176 1.00 0.13 N ATOM 551 CA PHE A 33 9.303 -6.187 -7.519 1.00 54.51 C ATOM 552 C PHE A 33 8.938 -7.226 -8.575 1.00 31.44 C ATOM 553 O PHE A 33 9.693 -8.166 -8.822 1.00 33.43 O ATOM 554 CB PHE A 33 10.754 -5.740 -7.707 1.00 51.33 C ATOM 555 CG PHE A 33 11.252 -4.843 -6.610 1.00 51.44 C ATOM 556 CD1 PHE A 33 10.421 -3.887 -6.048 1.00 50.01 C ATOM 557 CD2 PHE A 33 12.551 -4.955 -6.141 1.00 73.33 C ATOM 558 CE1 PHE A 33 10.877 -3.060 -5.039 1.00 41.23 C ATOM 559 CE2 PHE A 33 13.012 -4.131 -5.132 1.00 63.12 C ATOM 560 CZ PHE A 33 12.174 -3.183 -4.580 1.00 11.21 C ATOM 0 H PHE A 33 9.813 -7.394 -5.883 1.00 0.13 H new ATOM 0 HA PHE A 33 8.646 -5.326 -7.640 1.00 54.51 H new ATOM 0 HB2 PHE A 33 11.393 -6.621 -7.763 1.00 51.33 H new ATOM 0 HB3 PHE A 33 10.845 -5.219 -8.660 1.00 51.33 H new ATOM 0 HD1 PHE A 33 9.406 -3.787 -6.402 1.00 50.01 H new ATOM 0 HD2 PHE A 33 13.211 -5.695 -6.569 1.00 73.33 H new ATOM 0 HE1 PHE A 33 10.220 -2.318 -4.610 1.00 41.23 H new ATOM 0 HE2 PHE A 33 14.027 -4.229 -4.776 1.00 63.12 H new ATOM 0 HZ PHE A 33 12.532 -2.539 -3.791 1.00 11.21 H new ATOM 570 N MET A 34 7.775 -7.050 -9.193 1.00 71.02 N ATOM 571 CA MET A 34 7.310 -7.972 -10.223 1.00 33.44 C ATOM 572 C MET A 34 7.986 -7.682 -11.559 1.00 24.35 C ATOM 573 O MET A 34 8.057 -6.533 -11.993 1.00 55.43 O ATOM 574 CB MET A 34 5.791 -7.876 -10.375 1.00 55.44 C ATOM 575 CG MET A 34 5.030 -8.889 -9.536 1.00 74.33 C ATOM 576 SD MET A 34 3.880 -9.877 -10.513 1.00 51.53 S ATOM 577 CE MET A 34 4.959 -10.462 -11.817 1.00 44.43 C ATOM 0 H MET A 34 7.137 -6.278 -8.999 1.00 71.02 H new ATOM 0 HA MET A 34 7.574 -8.984 -9.915 1.00 33.44 H new ATOM 0 HB2 MET A 34 5.469 -6.872 -10.098 1.00 55.44 H new ATOM 0 HB3 MET A 34 5.530 -8.016 -11.424 1.00 55.44 H new ATOM 0 HG2 MET A 34 5.740 -9.550 -9.040 1.00 74.33 H new ATOM 0 HG3 MET A 34 4.480 -8.367 -8.753 1.00 74.33 H new ATOM 0 HE1 MET A 34 4.574 -10.134 -12.782 1.00 44.43 H new ATOM 0 HE2 MET A 34 5.961 -10.058 -11.669 1.00 44.43 H new ATOM 0 HE3 MET A 34 5.000 -11.551 -11.794 1.00 44.43 H new ATOM 587 N PHE A 35 8.483 -8.731 -12.205 1.00 64.51 N ATOM 588 CA PHE A 35 9.156 -8.589 -13.491 1.00 52.42 C ATOM 589 C PHE A 35 8.654 -9.631 -14.486 1.00 22.30 C ATOM 590 O PHE A 35 8.385 -10.774 -14.119 1.00 33.41 O ATOM 591 CB PHE A 35 10.670 -8.721 -13.316 1.00 61.15 C ATOM 592 CG PHE A 35 11.111 -10.105 -12.935 1.00 73.43 C ATOM 593 CD1 PHE A 35 10.865 -10.600 -11.664 1.00 43.44 C ATOM 594 CD2 PHE A 35 11.771 -10.912 -13.848 1.00 31.40 C ATOM 595 CE1 PHE A 35 11.269 -11.873 -11.311 1.00 21.35 C ATOM 596 CE2 PHE A 35 12.177 -12.187 -13.500 1.00 13.11 C ATOM 597 CZ PHE A 35 11.927 -12.668 -12.229 1.00 54.54 C ATOM 0 H PHE A 35 8.433 -9.689 -11.859 1.00 64.51 H new ATOM 0 HA PHE A 35 8.928 -7.598 -13.884 1.00 52.42 H new ATOM 0 HB2 PHE A 35 11.161 -8.435 -14.246 1.00 61.15 H new ATOM 0 HB3 PHE A 35 11.002 -8.019 -12.551 1.00 61.15 H new ATOM 0 HD1 PHE A 35 10.352 -9.983 -10.941 1.00 43.44 H new ATOM 0 HD2 PHE A 35 11.970 -10.541 -14.842 1.00 31.40 H new ATOM 0 HE1 PHE A 35 11.070 -12.247 -10.317 1.00 21.35 H new ATOM 0 HE2 PHE A 35 12.689 -12.807 -14.221 1.00 13.11 H new ATOM 0 HZ PHE A 35 12.245 -13.663 -11.954 1.00 54.54 H new ATOM 607 N GLU A 36 8.531 -9.227 -15.746 1.00 62.04 N ATOM 608 CA GLU A 36 8.061 -10.126 -16.794 1.00 14.12 C ATOM 609 C GLU A 36 9.017 -10.124 -17.983 1.00 1.22 C ATOM 610 O GLU A 36 8.750 -10.748 -19.010 1.00 21.12 O ATOM 611 CB GLU A 36 6.658 -9.720 -17.253 1.00 23.45 C ATOM 612 CG GLU A 36 6.609 -8.363 -17.933 1.00 44.21 C ATOM 613 CD GLU A 36 6.793 -8.456 -19.435 1.00 75.44 C ATOM 614 OE1 GLU A 36 5.849 -8.903 -20.121 1.00 14.22 O ATOM 615 OE2 GLU A 36 7.879 -8.084 -19.926 1.00 12.13 O ATOM 0 H GLU A 36 8.750 -8.284 -16.066 1.00 62.04 H new ATOM 0 HA GLU A 36 8.024 -11.134 -16.382 1.00 14.12 H new ATOM 0 HB2 GLU A 36 6.277 -10.475 -17.940 1.00 23.45 H new ATOM 0 HB3 GLU A 36 5.992 -9.709 -16.390 1.00 23.45 H new ATOM 0 HG2 GLU A 36 5.653 -7.887 -17.717 1.00 44.21 H new ATOM 0 HG3 GLU A 36 7.386 -7.723 -17.515 1.00 44.21 H new ATOM 688 N ASN A 42 19.121 -9.095 -13.678 1.00 41.04 N ATOM 689 CA ASN A 42 19.206 -7.690 -13.297 1.00 40.11 C ATOM 690 C ASN A 42 18.415 -7.424 -12.020 1.00 21.12 C ATOM 691 O ASN A 42 18.694 -6.470 -11.292 1.00 73.44 O ATOM 692 CB ASN A 42 18.684 -6.801 -14.428 1.00 3.34 C ATOM 693 CG ASN A 42 19.805 -6.154 -15.218 1.00 40.25 C ATOM 694 OD1 ASN A 42 19.789 -4.948 -15.466 1.00 43.00 O ATOM 695 ND2 ASN A 42 20.785 -6.955 -15.619 1.00 60.34 N ATOM 0 HA ASN A 42 20.253 -7.452 -13.111 1.00 40.11 H new ATOM 0 HB2 ASN A 42 18.067 -7.397 -15.100 1.00 3.34 H new ATOM 0 HB3 ASN A 42 18.043 -6.025 -14.010 1.00 3.34 H new ATOM 0 HD21 ASN A 42 21.566 -6.577 -16.155 1.00 60.34 H new ATOM 0 HD22 ASN A 42 20.757 -7.949 -15.391 1.00 60.34 H new ATOM 702 N ILE A 43 17.429 -8.274 -11.754 1.00 11.25 N ATOM 703 CA ILE A 43 16.599 -8.132 -10.564 1.00 2.24 C ATOM 704 C ILE A 43 17.453 -7.879 -9.325 1.00 54.34 C ATOM 705 O ILE A 43 17.292 -6.880 -8.624 1.00 1.30 O ATOM 706 CB ILE A 43 15.733 -9.383 -10.329 1.00 35.11 C ATOM 707 CG1 ILE A 43 14.422 -9.277 -11.112 1.00 2.21 C ATOM 708 CG2 ILE A 43 15.455 -9.565 -8.844 1.00 44.51 C ATOM 709 CD1 ILE A 43 13.513 -8.172 -10.621 1.00 31.10 C ATOM 0 H ILE A 43 17.185 -9.068 -12.346 1.00 11.25 H new ATOM 0 HA ILE A 43 15.947 -7.275 -10.735 1.00 2.24 H new ATOM 0 HB ILE A 43 16.279 -10.256 -10.686 1.00 35.11 H new ATOM 0 HG12 ILE A 43 14.649 -9.109 -12.165 1.00 2.21 H new ATOM 0 HG13 ILE A 43 13.892 -10.227 -11.048 1.00 2.21 H new ATOM 0 HG21 ILE A 43 14.842 -10.454 -8.695 1.00 44.51 H new ATOM 0 HG22 ILE A 43 16.398 -9.681 -8.309 1.00 44.51 H new ATOM 0 HG23 ILE A 43 14.926 -8.691 -8.463 1.00 44.51 H new ATOM 0 HD11 ILE A 43 12.603 -8.155 -11.221 1.00 31.10 H new ATOM 0 HD12 ILE A 43 13.255 -8.350 -9.577 1.00 31.10 H new ATOM 0 HD13 ILE A 43 14.024 -7.214 -10.710 1.00 31.10 H new ATOM 721 N PRO A 44 18.384 -8.804 -9.050 1.00 11.44 N ATOM 722 CA PRO A 44 19.283 -8.702 -7.897 1.00 5.14 C ATOM 723 C PRO A 44 20.304 -7.580 -8.055 1.00 10.03 C ATOM 724 O PRO A 44 20.949 -7.172 -7.088 1.00 70.44 O ATOM 725 CB PRO A 44 19.984 -10.063 -7.872 1.00 42.43 C ATOM 726 CG PRO A 44 19.923 -10.546 -9.280 1.00 53.43 C ATOM 727 CD PRO A 44 18.631 -10.020 -9.842 1.00 50.34 C ATOM 0 HA PRO A 44 18.743 -8.468 -6.979 1.00 5.14 H new ATOM 0 HB2 PRO A 44 21.015 -9.971 -7.529 1.00 42.43 H new ATOM 0 HB3 PRO A 44 19.483 -10.754 -7.194 1.00 42.43 H new ATOM 0 HG2 PRO A 44 20.775 -10.183 -9.855 1.00 53.43 H new ATOM 0 HG3 PRO A 44 19.952 -11.635 -9.321 1.00 53.43 H new ATOM 0 HD2 PRO A 44 18.717 -9.796 -10.905 1.00 50.34 H new ATOM 0 HD3 PRO A 44 17.822 -10.742 -9.733 1.00 50.34 H new ATOM 735 N LYS A 45 20.446 -7.084 -9.279 1.00 14.50 N ATOM 736 CA LYS A 45 21.386 -6.007 -9.564 1.00 45.24 C ATOM 737 C LYS A 45 20.819 -4.659 -9.131 1.00 30.14 C ATOM 738 O LYS A 45 21.566 -3.731 -8.822 1.00 0.24 O ATOM 739 CB LYS A 45 21.719 -5.975 -11.058 1.00 22.12 C ATOM 740 CG LYS A 45 23.177 -5.663 -11.350 1.00 32.23 C ATOM 741 CD LYS A 45 23.315 -4.500 -12.317 1.00 2.51 C ATOM 742 CE LYS A 45 24.692 -4.472 -12.962 1.00 4.42 C ATOM 743 NZ LYS A 45 25.500 -3.311 -12.495 1.00 22.03 N ATOM 0 H LYS A 45 19.921 -7.411 -10.090 1.00 14.50 H new ATOM 0 HA LYS A 45 22.298 -6.196 -8.998 1.00 45.24 H new ATOM 0 HB2 LYS A 45 21.467 -6.940 -11.498 1.00 22.12 H new ATOM 0 HB3 LYS A 45 21.092 -5.229 -11.546 1.00 22.12 H new ATOM 0 HG2 LYS A 45 23.693 -5.427 -10.419 1.00 32.23 H new ATOM 0 HG3 LYS A 45 23.662 -6.545 -11.768 1.00 32.23 H new ATOM 0 HD2 LYS A 45 22.551 -4.576 -13.091 1.00 2.51 H new ATOM 0 HD3 LYS A 45 23.141 -3.563 -11.788 1.00 2.51 H new ATOM 0 HE2 LYS A 45 25.220 -5.398 -12.732 1.00 4.42 H new ATOM 0 HE3 LYS A 45 24.585 -4.427 -14.046 1.00 4.42 H new ATOM 0 HZ1 LYS A 45 26.431 -3.328 -12.958 1.00 22.03 H new ATOM 0 HZ2 LYS A 45 25.009 -2.427 -12.737 1.00 22.03 H new ATOM 0 HZ3 LYS A 45 25.625 -3.367 -11.464 1.00 22.03 H new ATOM 757 N SER A 46 19.494 -4.560 -9.108 1.00 53.45 N ATOM 758 CA SER A 46 18.826 -3.324 -8.714 1.00 64.34 C ATOM 759 C SER A 46 19.034 -3.045 -7.229 1.00 11.20 C ATOM 760 O SER A 46 19.524 -1.982 -6.849 1.00 11.02 O ATOM 761 CB SER A 46 17.331 -3.406 -9.026 1.00 33.25 C ATOM 762 OG SER A 46 17.052 -4.475 -9.914 1.00 2.24 O ATOM 0 H SER A 46 18.861 -5.320 -9.357 1.00 53.45 H new ATOM 0 HA SER A 46 19.264 -2.505 -9.284 1.00 64.34 H new ATOM 0 HB2 SER A 46 16.770 -3.542 -8.101 1.00 33.25 H new ATOM 0 HB3 SER A 46 16.996 -2.467 -9.466 1.00 33.25 H new ATOM 0 HG SER A 46 16.986 -5.312 -9.408 1.00 2.24 H new ATOM 768 N ALA A 47 18.657 -4.007 -6.394 1.00 32.51 N ATOM 769 CA ALA A 47 18.803 -3.867 -4.950 1.00 72.15 C ATOM 770 C ALA A 47 20.258 -3.623 -4.567 1.00 43.10 C ATOM 771 O ALA A 47 20.544 -3.038 -3.523 1.00 23.01 O ATOM 772 CB ALA A 47 18.269 -5.104 -4.243 1.00 61.13 C ATOM 0 H ALA A 47 18.248 -4.892 -6.692 1.00 32.51 H new ATOM 0 HA ALA A 47 18.221 -3.002 -4.633 1.00 72.15 H new ATOM 0 HB1 ALA A 47 18.384 -4.986 -3.166 1.00 61.13 H new ATOM 0 HB2 ALA A 47 17.214 -5.233 -4.483 1.00 61.13 H new ATOM 0 HB3 ALA A 47 18.826 -5.981 -4.573 1.00 61.13 H new ATOM 778 N GLU A 48 21.174 -4.075 -5.418 1.00 73.52 N ATOM 779 CA GLU A 48 22.600 -3.907 -5.166 1.00 40.41 C ATOM 780 C GLU A 48 23.033 -2.467 -5.431 1.00 33.40 C ATOM 781 O GLU A 48 23.999 -1.980 -4.845 1.00 24.13 O ATOM 782 CB GLU A 48 23.412 -4.864 -6.041 1.00 20.01 C ATOM 783 CG GLU A 48 24.866 -4.991 -5.617 1.00 35.51 C ATOM 784 CD GLU A 48 25.805 -4.202 -6.508 1.00 73.43 C ATOM 785 OE1 GLU A 48 25.789 -4.429 -7.736 1.00 55.01 O ATOM 786 OE2 GLU A 48 26.556 -3.358 -5.977 1.00 52.42 O ATOM 0 H GLU A 48 20.954 -4.560 -6.288 1.00 73.52 H new ATOM 0 HA GLU A 48 22.787 -4.138 -4.117 1.00 40.41 H new ATOM 0 HB2 GLU A 48 22.947 -5.850 -6.015 1.00 20.01 H new ATOM 0 HB3 GLU A 48 23.372 -4.520 -7.075 1.00 20.01 H new ATOM 0 HG2 GLU A 48 24.972 -4.646 -4.588 1.00 35.51 H new ATOM 0 HG3 GLU A 48 25.154 -6.042 -5.632 1.00 35.51 H new ATOM 793 N PHE A 49 22.310 -1.792 -6.319 1.00 30.43 N ATOM 794 CA PHE A 49 22.619 -0.410 -6.663 1.00 41.44 C ATOM 795 C PHE A 49 22.573 0.483 -5.426 1.00 60.53 C ATOM 796 O PHE A 49 23.207 1.538 -5.385 1.00 74.41 O ATOM 797 CB PHE A 49 21.637 0.108 -7.716 1.00 35.20 C ATOM 798 CG PHE A 49 22.306 0.753 -8.896 1.00 23.34 C ATOM 799 CD1 PHE A 49 22.767 2.057 -8.820 1.00 15.52 C ATOM 800 CD2 PHE A 49 22.476 0.054 -10.080 1.00 3.11 C ATOM 801 CE1 PHE A 49 23.382 2.653 -9.904 1.00 45.31 C ATOM 802 CE2 PHE A 49 23.092 0.645 -11.168 1.00 31.35 C ATOM 803 CZ PHE A 49 23.547 1.946 -11.079 1.00 35.31 C ATOM 0 H PHE A 49 21.506 -2.180 -6.813 1.00 30.43 H new ATOM 0 HA PHE A 49 23.629 -0.382 -7.072 1.00 41.44 H new ATOM 0 HB2 PHE A 49 21.022 -0.721 -8.066 1.00 35.20 H new ATOM 0 HB3 PHE A 49 20.965 0.829 -7.251 1.00 35.20 H new ATOM 0 HD1 PHE A 49 22.644 2.614 -7.903 1.00 15.52 H new ATOM 0 HD2 PHE A 49 22.123 -0.964 -10.154 1.00 3.11 H new ATOM 0 HE1 PHE A 49 23.734 3.672 -9.833 1.00 45.31 H new ATOM 0 HE2 PHE A 49 23.217 0.090 -12.086 1.00 31.35 H new ATOM 0 HZ PHE A 49 24.031 2.409 -11.926 1.00 35.31 H new ATOM 813 N ILE A 50 21.819 0.051 -4.421 1.00 52.30 N ATOM 814 CA ILE A 50 21.690 0.810 -3.183 1.00 61.21 C ATOM 815 C ILE A 50 22.920 0.633 -2.300 1.00 23.15 C ATOM 816 O ILE A 50 23.720 1.555 -2.141 1.00 15.14 O ATOM 817 CB ILE A 50 20.438 0.387 -2.391 1.00 44.44 C ATOM 818 CG1 ILE A 50 19.189 0.509 -3.267 1.00 25.10 C ATOM 819 CG2 ILE A 50 20.296 1.234 -1.135 1.00 74.32 C ATOM 820 CD1 ILE A 50 18.863 1.933 -3.660 1.00 63.43 C ATOM 0 H ILE A 50 21.288 -0.820 -4.440 1.00 52.30 H new ATOM 0 HA ILE A 50 21.595 1.859 -3.464 1.00 61.21 H new ATOM 0 HB ILE A 50 20.549 -0.655 -2.092 1.00 44.44 H new ATOM 0 HG12 ILE A 50 19.329 -0.085 -4.170 1.00 25.10 H new ATOM 0 HG13 ILE A 50 18.338 0.084 -2.734 1.00 25.10 H new ATOM 0 HG21 ILE A 50 19.407 0.924 -0.586 1.00 74.32 H new ATOM 0 HG22 ILE A 50 21.176 1.102 -0.506 1.00 74.32 H new ATOM 0 HG23 ILE A 50 20.203 2.284 -1.413 1.00 74.32 H new ATOM 0 HD11 ILE A 50 17.966 1.943 -4.280 1.00 63.43 H new ATOM 0 HD12 ILE A 50 18.691 2.528 -2.763 1.00 63.43 H new ATOM 0 HD13 ILE A 50 19.697 2.356 -4.221 1.00 63.43 H new ATOM 832 N GLN A 51 23.066 -0.559 -1.729 1.00 12.41 N ATOM 833 CA GLN A 51 24.200 -0.857 -0.862 1.00 51.42 C ATOM 834 C GLN A 51 24.658 -2.300 -1.042 1.00 34.34 C ATOM 835 O GLN A 51 23.854 -3.230 -0.971 1.00 52.15 O ATOM 836 CB GLN A 51 23.831 -0.604 0.601 1.00 70.23 C ATOM 837 CG GLN A 51 25.036 -0.433 1.511 1.00 22.43 C ATOM 838 CD GLN A 51 25.968 0.668 1.046 1.00 62.15 C ATOM 839 OE1 GLN A 51 27.171 0.454 0.888 1.00 14.23 O ATOM 840 NE2 GLN A 51 25.417 1.855 0.822 1.00 51.04 N ATOM 0 H GLN A 51 22.413 -1.333 -1.851 1.00 12.41 H new ATOM 0 HA GLN A 51 25.022 -0.197 -1.141 1.00 51.42 H new ATOM 0 HB2 GLN A 51 23.211 0.290 0.661 1.00 70.23 H new ATOM 0 HB3 GLN A 51 23.227 -1.436 0.964 1.00 70.23 H new ATOM 0 HG2 GLN A 51 24.694 -0.211 2.522 1.00 22.43 H new ATOM 0 HG3 GLN A 51 25.586 -1.373 1.559 1.00 22.43 H new ATOM 0 HE21 GLN A 51 24.416 1.988 0.966 1.00 51.04 H new ATOM 0 HE22 GLN A 51 25.995 2.634 0.506 1.00 51.04 H new ATOM 849 N SER A 52 25.954 -2.480 -1.274 1.00 31.50 N ATOM 850 CA SER A 52 26.518 -3.811 -1.468 1.00 20.12 C ATOM 851 C SER A 52 26.109 -4.745 -0.333 1.00 72.21 C ATOM 852 O SER A 52 25.910 -5.943 -0.540 1.00 11.44 O ATOM 853 CB SER A 52 28.043 -3.734 -1.555 1.00 5.42 C ATOM 854 OG SER A 52 28.584 -4.923 -2.104 1.00 50.23 O ATOM 0 H SER A 52 26.633 -1.721 -1.332 1.00 31.50 H new ATOM 0 HA SER A 52 26.127 -4.211 -2.404 1.00 20.12 H new ATOM 0 HB2 SER A 52 28.333 -2.882 -2.170 1.00 5.42 H new ATOM 0 HB3 SER A 52 28.459 -3.567 -0.561 1.00 5.42 H new ATOM 0 HG SER A 52 29.560 -4.847 -2.150 1.00 50.23 H new ATOM 860 N LYS A 53 25.985 -4.189 0.867 1.00 13.11 N ATOM 861 CA LYS A 53 25.598 -4.969 2.036 1.00 21.34 C ATOM 862 C LYS A 53 24.292 -4.450 2.630 1.00 63.03 C ATOM 863 O LYS A 53 24.236 -3.338 3.152 1.00 13.24 O ATOM 864 CB LYS A 53 26.704 -4.925 3.093 1.00 0.23 C ATOM 865 CG LYS A 53 27.821 -5.925 2.848 1.00 53.45 C ATOM 866 CD LYS A 53 29.136 -5.228 2.544 1.00 43.35 C ATOM 867 CE LYS A 53 30.322 -6.018 3.076 1.00 12.35 C ATOM 868 NZ LYS A 53 31.566 -5.737 2.308 1.00 71.34 N ATOM 0 H LYS A 53 26.147 -3.200 1.056 1.00 13.11 H new ATOM 0 HA LYS A 53 25.447 -6.001 1.719 1.00 21.34 H new ATOM 0 HB2 LYS A 53 27.127 -3.921 3.122 1.00 0.23 H new ATOM 0 HB3 LYS A 53 26.266 -5.115 4.073 1.00 0.23 H new ATOM 0 HG2 LYS A 53 27.940 -6.561 3.725 1.00 53.45 H new ATOM 0 HG3 LYS A 53 27.552 -6.576 2.016 1.00 53.45 H new ATOM 0 HD2 LYS A 53 29.239 -5.097 1.467 1.00 43.35 H new ATOM 0 HD3 LYS A 53 29.132 -4.232 2.988 1.00 43.35 H new ATOM 0 HE2 LYS A 53 30.480 -5.772 4.126 1.00 12.35 H new ATOM 0 HE3 LYS A 53 30.099 -7.084 3.028 1.00 12.35 H new ATOM 0 HZ1 LYS A 53 32.351 -6.295 2.702 1.00 71.34 H new ATOM 0 HZ2 LYS A 53 31.424 -5.995 1.311 1.00 71.34 H new ATOM 0 HZ3 LYS A 53 31.794 -4.724 2.374 1.00 71.34 H new ATOM 882 N GLY A 54 23.244 -5.264 2.546 1.00 23.12 N ATOM 883 CA GLY A 54 21.954 -4.869 3.080 1.00 31.42 C ATOM 884 C GLY A 54 20.798 -5.493 2.324 1.00 70.42 C ATOM 885 O GLY A 54 19.876 -6.043 2.927 1.00 30.15 O ATOM 0 H GLY A 54 23.266 -6.190 2.118 1.00 23.12 H new ATOM 0 HA2 GLY A 54 21.895 -5.157 4.130 1.00 31.42 H new ATOM 0 HA3 GLY A 54 21.865 -3.783 3.042 1.00 31.42 H new ATOM 889 N HIS A 55 20.845 -5.408 0.998 1.00 1.31 N ATOM 890 CA HIS A 55 19.793 -5.968 0.158 1.00 55.10 C ATOM 891 C HIS A 55 19.872 -7.491 0.131 1.00 31.31 C ATOM 892 O HIS A 55 20.868 -8.062 -0.312 1.00 53.14 O ATOM 893 CB HIS A 55 19.897 -5.415 -1.264 1.00 22.03 C ATOM 894 CG HIS A 55 21.104 -5.899 -2.007 1.00 52.03 C ATOM 895 ND1 HIS A 55 22.389 -5.511 -1.690 1.00 73.44 N ATOM 896 CD2 HIS A 55 21.216 -6.745 -3.058 1.00 30.44 C ATOM 897 CE1 HIS A 55 23.239 -6.097 -2.515 1.00 33.12 C ATOM 898 NE2 HIS A 55 22.553 -6.852 -3.354 1.00 14.30 N ATOM 0 H HIS A 55 21.601 -4.957 0.483 1.00 1.31 H new ATOM 0 HA HIS A 55 18.832 -5.679 0.582 1.00 55.10 H new ATOM 0 HB2 HIS A 55 19.002 -5.694 -1.820 1.00 22.03 H new ATOM 0 HB3 HIS A 55 19.919 -4.326 -1.221 1.00 22.03 H new ATOM 0 HD1 HIS A 55 22.643 -4.872 -0.937 1.00 73.44 H new ATOM 0 HD2 HIS A 55 20.405 -7.243 -3.569 1.00 30.44 H new ATOM 0 HE1 HIS A 55 24.312 -5.979 -2.505 1.00 33.12 H new ATOM 906 N GLU A 56 18.816 -8.143 0.609 1.00 3.33 N ATOM 907 CA GLU A 56 18.769 -9.600 0.641 1.00 14.20 C ATOM 908 C GLU A 56 17.428 -10.112 0.122 1.00 42.35 C ATOM 909 O GLU A 56 16.373 -9.793 0.672 1.00 24.21 O ATOM 910 CB GLU A 56 19.004 -10.109 2.065 1.00 65.15 C ATOM 911 CG GLU A 56 20.012 -11.243 2.146 1.00 61.40 C ATOM 912 CD GLU A 56 19.351 -12.604 2.258 1.00 44.33 C ATOM 913 OE1 GLU A 56 18.462 -12.762 3.121 1.00 45.34 O ATOM 914 OE2 GLU A 56 19.723 -13.510 1.483 1.00 10.21 O ATOM 0 H GLU A 56 17.983 -7.685 0.979 1.00 3.33 H new ATOM 0 HA GLU A 56 19.559 -9.978 -0.008 1.00 14.20 H new ATOM 0 HB2 GLU A 56 19.349 -9.282 2.685 1.00 65.15 H new ATOM 0 HB3 GLU A 56 18.055 -10.446 2.483 1.00 65.15 H new ATOM 0 HG2 GLU A 56 20.647 -11.223 1.260 1.00 61.40 H new ATOM 0 HG3 GLU A 56 20.661 -11.086 3.008 1.00 61.40 H new ATOM 921 N LEU A 57 17.477 -10.906 -0.942 1.00 22.20 N ATOM 922 CA LEU A 57 16.267 -11.463 -1.538 1.00 4.14 C ATOM 923 C LEU A 57 15.794 -12.689 -0.763 1.00 54.33 C ATOM 924 O LEU A 57 16.361 -13.775 -0.891 1.00 1.50 O ATOM 925 CB LEU A 57 16.520 -11.835 -3.000 1.00 31.14 C ATOM 926 CG LEU A 57 16.759 -10.668 -3.958 1.00 13.31 C ATOM 927 CD1 LEU A 57 15.697 -9.595 -3.768 1.00 24.34 C ATOM 928 CD2 LEU A 57 18.150 -10.086 -3.753 1.00 71.05 C ATOM 0 H LEU A 57 18.341 -11.179 -1.410 1.00 22.20 H new ATOM 0 HA LEU A 57 15.486 -10.704 -1.493 1.00 4.14 H new ATOM 0 HB2 LEU A 57 17.386 -12.496 -3.041 1.00 31.14 H new ATOM 0 HB3 LEU A 57 15.665 -12.407 -3.362 1.00 31.14 H new ATOM 0 HG LEU A 57 16.690 -11.042 -4.980 1.00 13.31 H new ATOM 0 HD11 LEU A 57 15.883 -8.772 -4.458 1.00 24.34 H new ATOM 0 HD12 LEU A 57 14.712 -10.019 -3.966 1.00 24.34 H new ATOM 0 HD13 LEU A 57 15.733 -9.224 -2.744 1.00 24.34 H new ATOM 0 HD21 LEU A 57 18.303 -9.256 -4.443 1.00 71.05 H new ATOM 0 HD22 LEU A 57 18.247 -9.728 -2.728 1.00 71.05 H new ATOM 0 HD23 LEU A 57 18.898 -10.856 -3.941 1.00 71.05 H new ATOM 940 N LEU A 58 14.749 -12.509 0.038 1.00 45.41 N ATOM 941 CA LEU A 58 14.197 -13.601 0.832 1.00 51.33 C ATOM 942 C LEU A 58 13.957 -14.835 -0.032 1.00 44.21 C ATOM 943 O LEU A 58 14.265 -15.956 0.371 1.00 53.31 O ATOM 944 CB LEU A 58 12.888 -13.165 1.493 1.00 21.30 C ATOM 945 CG LEU A 58 12.893 -13.113 3.021 1.00 21.22 C ATOM 946 CD1 LEU A 58 13.371 -11.754 3.507 1.00 2.14 C ATOM 947 CD2 LEU A 58 11.507 -13.421 3.570 1.00 44.21 C ATOM 0 H LEU A 58 14.267 -11.617 0.155 1.00 45.41 H new ATOM 0 HA LEU A 58 14.921 -13.857 1.606 1.00 51.33 H new ATOM 0 HB2 LEU A 58 12.626 -12.176 1.117 1.00 21.30 H new ATOM 0 HB3 LEU A 58 12.099 -13.847 1.175 1.00 21.30 H new ATOM 0 HG LEU A 58 13.584 -13.871 3.389 1.00 21.22 H new ATOM 0 HD11 LEU A 58 13.368 -11.736 4.597 1.00 2.14 H new ATOM 0 HD12 LEU A 58 14.383 -11.573 3.144 1.00 2.14 H new ATOM 0 HD13 LEU A 58 12.706 -10.978 3.129 1.00 2.14 H new ATOM 0 HD21 LEU A 58 11.530 -13.380 4.659 1.00 44.21 H new ATOM 0 HD22 LEU A 58 10.795 -12.687 3.194 1.00 44.21 H new ATOM 0 HD23 LEU A 58 11.203 -14.418 3.251 1.00 44.21 H new ATOM 1088 N ASP A 67 6.006 -14.020 -15.535 1.00 52.42 N ATOM 1089 CA ASP A 67 6.215 -12.878 -14.653 1.00 12.35 C ATOM 1090 C ASP A 67 6.104 -13.295 -13.189 1.00 41.43 C ATOM 1091 O ASP A 67 5.033 -13.686 -12.725 1.00 4.23 O ATOM 1092 CB ASP A 67 5.200 -11.776 -14.960 1.00 53.30 C ATOM 1093 CG ASP A 67 3.772 -12.214 -14.697 1.00 43.24 C ATOM 1094 OD1 ASP A 67 3.151 -12.794 -15.613 1.00 3.12 O ATOM 1095 OD2 ASP A 67 3.276 -11.977 -13.576 1.00 64.41 O ATOM 0 HA ASP A 67 7.220 -12.494 -14.828 1.00 12.35 H new ATOM 0 HB2 ASP A 67 5.426 -10.899 -14.353 1.00 53.30 H new ATOM 0 HB3 ASP A 67 5.299 -11.476 -16.003 1.00 53.30 H new ATOM 1100 N TRP A 68 7.217 -13.209 -12.470 1.00 11.04 N ATOM 1101 CA TRP A 68 7.245 -13.579 -11.059 1.00 11.41 C ATOM 1102 C TRP A 68 7.452 -12.351 -10.179 1.00 23.14 C ATOM 1103 O TRP A 68 7.522 -11.225 -10.672 1.00 15.22 O ATOM 1104 CB TRP A 68 8.353 -14.600 -10.800 1.00 62.41 C ATOM 1105 CG TRP A 68 7.969 -15.655 -9.807 1.00 74.45 C ATOM 1106 CD1 TRP A 68 8.480 -15.826 -8.553 1.00 1.33 C ATOM 1107 CD2 TRP A 68 6.992 -16.687 -9.988 1.00 40.32 C ATOM 1108 NE1 TRP A 68 7.880 -16.901 -7.943 1.00 4.15 N ATOM 1109 CE2 TRP A 68 6.963 -17.446 -8.802 1.00 3.32 C ATOM 1110 CE3 TRP A 68 6.138 -17.042 -11.036 1.00 12.34 C ATOM 1111 CZ2 TRP A 68 6.115 -18.537 -8.637 1.00 72.22 C ATOM 1112 CZ3 TRP A 68 5.297 -18.126 -10.871 1.00 15.53 C ATOM 1113 CH2 TRP A 68 5.289 -18.862 -9.679 1.00 22.40 C ATOM 0 H TRP A 68 8.111 -12.887 -12.840 1.00 11.04 H new ATOM 0 HA TRP A 68 6.283 -14.026 -10.807 1.00 11.41 H new ATOM 0 HB2 TRP A 68 8.623 -15.079 -11.741 1.00 62.41 H new ATOM 0 HB3 TRP A 68 9.240 -14.079 -10.441 1.00 62.41 H new ATOM 0 HD1 TRP A 68 9.244 -15.207 -8.106 1.00 1.33 H new ATOM 0 HE1 TRP A 68 8.084 -17.239 -7.002 1.00 4.15 H new ATOM 0 HE3 TRP A 68 6.135 -16.479 -11.958 1.00 12.34 H new ATOM 0 HZ2 TRP A 68 6.109 -19.107 -7.720 1.00 72.22 H new ATOM 0 HZ3 TRP A 68 4.634 -18.411 -11.675 1.00 15.53 H new ATOM 0 HH2 TRP A 68 4.618 -19.702 -9.580 1.00 22.40 H new ATOM 1124 N THR A 69 7.551 -12.575 -8.872 1.00 24.02 N ATOM 1125 CA THR A 69 7.750 -11.487 -7.923 1.00 2.11 C ATOM 1126 C THR A 69 8.977 -11.733 -7.053 1.00 65.20 C ATOM 1127 O THR A 69 9.253 -12.867 -6.659 1.00 11.11 O ATOM 1128 CB THR A 69 6.520 -11.302 -7.015 1.00 11.14 C ATOM 1129 OG1 THR A 69 6.655 -12.105 -5.837 1.00 62.40 O ATOM 1130 CG2 THR A 69 5.243 -11.681 -7.749 1.00 51.13 C ATOM 0 H THR A 69 7.497 -13.501 -8.447 1.00 24.02 H new ATOM 0 HA THR A 69 7.900 -10.580 -8.509 1.00 2.11 H new ATOM 0 HB THR A 69 6.460 -10.251 -6.733 1.00 11.14 H new ATOM 0 HG1 THR A 69 5.870 -11.980 -5.264 1.00 62.40 H new ATOM 0 HG21 THR A 69 4.388 -11.542 -7.087 1.00 51.13 H new ATOM 0 HG22 THR A 69 5.128 -11.048 -8.629 1.00 51.13 H new ATOM 0 HG23 THR A 69 5.297 -12.725 -8.058 1.00 51.13 H new ATOM 1138 N ILE A 70 9.711 -10.666 -6.757 1.00 12.44 N ATOM 1139 CA ILE A 70 10.908 -10.767 -5.931 1.00 51.14 C ATOM 1140 C ILE A 70 10.817 -9.850 -4.716 1.00 43.24 C ATOM 1141 O ILE A 70 10.662 -8.636 -4.851 1.00 71.03 O ATOM 1142 CB ILE A 70 12.175 -10.415 -6.733 1.00 24.25 C ATOM 1143 CG1 ILE A 70 13.407 -10.458 -5.825 1.00 53.53 C ATOM 1144 CG2 ILE A 70 12.032 -9.044 -7.376 1.00 72.10 C ATOM 1145 CD1 ILE A 70 13.601 -11.788 -5.132 1.00 10.21 C ATOM 0 H ILE A 70 9.498 -9.721 -7.077 1.00 12.44 H new ATOM 0 HA ILE A 70 10.975 -11.802 -5.597 1.00 51.14 H new ATOM 0 HB ILE A 70 12.303 -11.153 -7.524 1.00 24.25 H new ATOM 0 HG12 ILE A 70 14.294 -10.234 -6.418 1.00 53.53 H new ATOM 0 HG13 ILE A 70 13.321 -9.674 -5.072 1.00 53.53 H new ATOM 0 HG21 ILE A 70 12.936 -8.810 -7.939 1.00 72.10 H new ATOM 0 HG22 ILE A 70 11.175 -9.046 -8.050 1.00 72.10 H new ATOM 0 HG23 ILE A 70 11.883 -8.292 -6.601 1.00 72.10 H new ATOM 0 HD11 ILE A 70 14.492 -11.745 -4.506 1.00 10.21 H new ATOM 0 HD12 ILE A 70 12.732 -12.005 -4.512 1.00 10.21 H new ATOM 0 HD13 ILE A 70 13.719 -12.573 -5.878 1.00 10.21 H new ATOM 1157 N VAL A 71 10.917 -10.438 -3.529 1.00 23.43 N ATOM 1158 CA VAL A 71 10.850 -9.674 -2.289 1.00 33.43 C ATOM 1159 C VAL A 71 12.240 -9.249 -1.829 1.00 14.10 C ATOM 1160 O VAL A 71 13.168 -10.057 -1.794 1.00 1.50 O ATOM 1161 CB VAL A 71 10.175 -10.485 -1.166 1.00 64.10 C ATOM 1162 CG1 VAL A 71 8.691 -10.660 -1.451 1.00 5.23 C ATOM 1163 CG2 VAL A 71 10.858 -11.835 -1.001 1.00 15.34 C ATOM 0 H VAL A 71 11.045 -11.442 -3.399 1.00 23.43 H new ATOM 0 HA VAL A 71 10.252 -8.786 -2.496 1.00 33.43 H new ATOM 0 HB VAL A 71 10.278 -9.934 -0.231 1.00 64.10 H new ATOM 0 HG11 VAL A 71 8.231 -11.235 -0.647 1.00 5.23 H new ATOM 0 HG12 VAL A 71 8.215 -9.682 -1.515 1.00 5.23 H new ATOM 0 HG13 VAL A 71 8.562 -11.189 -2.395 1.00 5.23 H new ATOM 0 HG21 VAL A 71 10.369 -12.395 -0.204 1.00 15.34 H new ATOM 0 HG22 VAL A 71 10.788 -12.395 -1.934 1.00 15.34 H new ATOM 0 HG23 VAL A 71 11.907 -11.683 -0.747 1.00 15.34 H new ATOM 1173 N VAL A 72 12.376 -7.975 -1.476 1.00 51.41 N ATOM 1174 CA VAL A 72 13.653 -7.441 -1.016 1.00 55.03 C ATOM 1175 C VAL A 72 13.526 -6.838 0.378 1.00 30.23 C ATOM 1176 O VAL A 72 12.690 -5.967 0.615 1.00 14.53 O ATOM 1177 CB VAL A 72 14.192 -6.368 -1.980 1.00 42.24 C ATOM 1178 CG1 VAL A 72 15.682 -6.154 -1.762 1.00 22.12 C ATOM 1179 CG2 VAL A 72 13.907 -6.756 -3.423 1.00 71.52 C ATOM 0 H VAL A 72 11.618 -7.293 -1.500 1.00 51.41 H new ATOM 0 HA VAL A 72 14.353 -8.276 -0.985 1.00 55.03 H new ATOM 0 HB VAL A 72 13.680 -5.428 -1.772 1.00 42.24 H new ATOM 0 HG11 VAL A 72 16.045 -5.392 -2.452 1.00 22.12 H new ATOM 0 HG12 VAL A 72 15.857 -5.828 -0.737 1.00 22.12 H new ATOM 0 HG13 VAL A 72 16.214 -7.089 -1.941 1.00 22.12 H new ATOM 0 HG21 VAL A 72 14.295 -5.986 -4.090 1.00 71.52 H new ATOM 0 HG22 VAL A 72 14.390 -7.707 -3.646 1.00 71.52 H new ATOM 0 HG23 VAL A 72 12.831 -6.853 -3.568 1.00 71.52 H new ATOM 1189 N ARG A 73 14.362 -7.308 1.298 1.00 22.31 N ATOM 1190 CA ARG A 73 14.344 -6.816 2.670 1.00 34.13 C ATOM 1191 C ARG A 73 15.473 -5.817 2.905 1.00 54.21 C ATOM 1192 O ARG A 73 16.648 -6.184 2.924 1.00 53.04 O ATOM 1193 CB ARG A 73 14.467 -7.981 3.654 1.00 34.12 C ATOM 1194 CG ARG A 73 15.597 -8.941 3.323 1.00 64.20 C ATOM 1195 CD ARG A 73 16.444 -9.248 4.548 1.00 22.41 C ATOM 1196 NE ARG A 73 15.645 -9.789 5.644 1.00 31.23 N ATOM 1197 CZ ARG A 73 16.164 -10.229 6.785 1.00 2.01 C ATOM 1198 NH1 ARG A 73 17.475 -10.192 6.978 1.00 4.44 N ATOM 1199 NH2 ARG A 73 15.371 -10.707 7.736 1.00 44.03 N ATOM 0 H ARG A 73 15.060 -8.029 1.118 1.00 22.31 H new ATOM 0 HA ARG A 73 13.393 -6.309 2.834 1.00 34.13 H new ATOM 0 HB2 ARG A 73 14.622 -7.583 4.657 1.00 34.12 H new ATOM 0 HB3 ARG A 73 13.527 -8.532 3.671 1.00 34.12 H new ATOM 0 HG2 ARG A 73 15.184 -9.867 2.924 1.00 64.20 H new ATOM 0 HG3 ARG A 73 16.225 -8.510 2.544 1.00 64.20 H new ATOM 0 HD2 ARG A 73 17.223 -9.962 4.280 1.00 22.41 H new ATOM 0 HD3 ARG A 73 16.945 -8.339 4.879 1.00 22.41 H new ATOM 0 HE ARG A 73 14.633 -9.831 5.527 1.00 31.23 H new ATOM 0 HH11 ARG A 73 18.088 -9.825 6.250 1.00 4.44 H new ATOM 0 HH12 ARG A 73 17.871 -10.530 7.855 1.00 4.44 H new ATOM 0 HH21 ARG A 73 14.362 -10.737 7.591 1.00 44.03 H new ATOM 0 HH22 ARG A 73 15.771 -11.045 8.612 1.00 44.03 H new ATOM 1213 N LYS A 74 15.108 -4.552 3.083 1.00 43.51 N ATOM 1214 CA LYS A 74 16.089 -3.498 3.317 1.00 31.20 C ATOM 1215 C LYS A 74 16.827 -3.724 4.633 1.00 75.11 C ATOM 1216 O LYS A 74 16.324 -4.401 5.530 1.00 30.11 O ATOM 1217 CB LYS A 74 15.404 -2.130 3.332 1.00 0.35 C ATOM 1218 CG LYS A 74 15.411 -1.431 1.984 1.00 54.02 C ATOM 1219 CD LYS A 74 15.572 0.072 2.135 1.00 10.34 C ATOM 1220 CE LYS A 74 17.018 0.501 1.935 1.00 74.30 C ATOM 1221 NZ LYS A 74 17.548 1.234 3.117 1.00 13.45 N ATOM 0 H LYS A 74 14.140 -4.231 3.070 1.00 43.51 H new ATOM 0 HA LYS A 74 16.815 -3.525 2.505 1.00 31.20 H new ATOM 0 HB2 LYS A 74 14.373 -2.253 3.662 1.00 0.35 H new ATOM 0 HB3 LYS A 74 15.900 -1.493 4.065 1.00 0.35 H new ATOM 0 HG2 LYS A 74 16.223 -1.825 1.373 1.00 54.02 H new ATOM 0 HG3 LYS A 74 14.482 -1.647 1.457 1.00 54.02 H new ATOM 0 HD2 LYS A 74 14.937 0.582 1.411 1.00 10.34 H new ATOM 0 HD3 LYS A 74 15.234 0.377 3.125 1.00 10.34 H new ATOM 0 HE2 LYS A 74 17.635 -0.378 1.746 1.00 74.30 H new ATOM 0 HE3 LYS A 74 17.089 1.136 1.052 1.00 74.30 H new ATOM 0 HZ1 LYS A 74 18.535 1.509 2.941 1.00 13.45 H new ATOM 0 HZ2 LYS A 74 16.976 2.086 3.282 1.00 13.45 H new ATOM 0 HZ3 LYS A 74 17.504 0.620 3.955 1.00 13.45 H new ATOM 1235 N LYS A 75 18.021 -3.152 4.742 1.00 13.13 N ATOM 1236 CA LYS A 75 18.827 -3.288 5.949 1.00 21.04 C ATOM 1237 C LYS A 75 20.097 -2.448 5.853 1.00 32.20 C ATOM 1238 O LYS A 75 20.548 -1.873 6.843 1.00 40.32 O ATOM 1239 CB LYS A 75 19.191 -4.756 6.182 1.00 74.31 C ATOM 1240 CG LYS A 75 18.839 -5.257 7.572 1.00 72.20 C ATOM 1241 CD LYS A 75 20.070 -5.354 8.458 1.00 54.11 C ATOM 1242 CE LYS A 75 20.383 -4.023 9.124 1.00 50.23 C ATOM 1243 NZ LYS A 75 20.991 -4.206 10.471 1.00 41.03 N ATOM 0 H LYS A 75 18.452 -2.589 4.008 1.00 13.13 H new ATOM 0 HA LYS A 75 18.237 -2.928 6.792 1.00 21.04 H new ATOM 0 HB2 LYS A 75 18.678 -5.371 5.443 1.00 74.31 H new ATOM 0 HB3 LYS A 75 20.261 -4.887 6.018 1.00 74.31 H new ATOM 0 HG2 LYS A 75 18.113 -4.585 8.029 1.00 72.20 H new ATOM 0 HG3 LYS A 75 18.365 -6.236 7.498 1.00 72.20 H new ATOM 0 HD2 LYS A 75 19.911 -6.116 9.221 1.00 54.11 H new ATOM 0 HD3 LYS A 75 20.925 -5.674 7.862 1.00 54.11 H new ATOM 0 HE2 LYS A 75 21.064 -3.452 8.493 1.00 50.23 H new ATOM 0 HE3 LYS A 75 19.468 -3.438 9.215 1.00 50.23 H new ATOM 0 HZ1 LYS A 75 21.189 -3.276 10.892 1.00 41.03 H new ATOM 0 HZ2 LYS A 75 20.331 -4.728 11.082 1.00 41.03 H new ATOM 0 HZ3 LYS A 75 21.878 -4.742 10.382 1.00 41.03 H new