USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 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 7 THR OG1 : rot 180:sc= -0.261 USER MOD Set 1.2: A 69 MET CE :methyl -179:sc= -0.599 (180deg=-0.602) USER MOD Single : A 2 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 39:sc= -1.82 USER MOD Single : A 22 THR OG1 : rot 17:sc= 0.472 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.401 (180deg=-0.75) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 124:sc= -0.0483 (180deg=-1.01) USER MOD Single : A 40 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.6! C(o=-3.6!,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000931) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 56 MET CE :methyl 157:sc= -2.87 (180deg=-4.91!) USER MOD Single : A 59 TYR OH : rot 32:sc= -0.214 USER MOD Single : A 60 ASN : amide:sc= -0.0767 X(o=-0.077,f=0.052) USER MOD Single : A 62 GLN : amide:sc= -0.8 K(o=-0.8,f=-3.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -80:sc= -0.903 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.199 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 2.551 -2.267 -1.263 1.00 32.13 N ATOM 19 CA GLN A 2 3.146 -3.595 -1.362 1.00 14.31 C ATOM 20 C GLN A 2 2.864 -4.217 -2.726 1.00 12.15 C ATOM 21 O GLN A 2 1.831 -3.949 -3.339 1.00 55.43 O ATOM 22 CB GLN A 2 2.608 -4.502 -0.253 1.00 41.55 C ATOM 23 CG GLN A 2 1.094 -4.641 -0.262 1.00 3.54 C ATOM 24 CD GLN A 2 0.403 -3.538 0.516 1.00 31.45 C ATOM 25 OE1 GLN A 2 0.614 -3.386 1.720 1.00 50.10 O ATOM 26 NE2 GLN A 2 -0.429 -2.762 -0.168 1.00 60.23 N ATOM 0 HA GLN A 2 4.225 -3.492 -1.246 1.00 14.31 H new ATOM 0 HB2 GLN A 2 3.056 -5.491 -0.354 1.00 41.55 H new ATOM 0 HB3 GLN A 2 2.923 -4.107 0.713 1.00 41.55 H new ATOM 0 HG2 GLN A 2 0.738 -4.632 -1.292 1.00 3.54 H new ATOM 0 HG3 GLN A 2 0.819 -5.607 0.162 1.00 3.54 H new ATOM 0 HE21 GLN A 2 -0.574 -2.924 -1.165 1.00 60.23 H new ATOM 0 HE22 GLN A 2 -0.923 -2.004 0.303 1.00 60.23 H new ATOM 35 N ILE A 3 3.789 -5.048 -3.194 1.00 32.14 N ATOM 36 CA ILE A 3 3.639 -5.709 -4.484 1.00 51.43 C ATOM 37 C ILE A 3 3.505 -7.218 -4.317 1.00 32.31 C ATOM 38 O ILE A 3 3.710 -7.754 -3.227 1.00 54.43 O ATOM 39 CB ILE A 3 4.832 -5.410 -5.411 1.00 71.04 C ATOM 40 CG1 ILE A 3 6.127 -5.953 -4.803 1.00 73.24 C ATOM 41 CG2 ILE A 3 4.945 -3.914 -5.663 1.00 44.04 C ATOM 42 CD1 ILE A 3 7.315 -5.864 -5.735 1.00 23.13 C ATOM 0 H ILE A 3 4.650 -5.279 -2.699 1.00 32.14 H new ATOM 0 HA ILE A 3 2.729 -5.315 -4.937 1.00 51.43 H new ATOM 0 HB ILE A 3 4.665 -5.908 -6.366 1.00 71.04 H new ATOM 0 HG12 ILE A 3 6.350 -5.401 -3.890 1.00 73.24 H new ATOM 0 HG13 ILE A 3 5.976 -6.994 -4.518 1.00 73.24 H new ATOM 0 HG21 ILE A 3 5.793 -3.719 -6.320 1.00 44.04 H new ATOM 0 HG22 ILE A 3 4.030 -3.554 -6.134 1.00 44.04 H new ATOM 0 HG23 ILE A 3 5.093 -3.396 -4.716 1.00 44.04 H new ATOM 0 HD11 ILE A 3 8.198 -6.266 -5.238 1.00 23.13 H new ATOM 0 HD12 ILE A 3 7.113 -6.439 -6.638 1.00 23.13 H new ATOM 0 HD13 ILE A 3 7.492 -4.822 -6.001 1.00 23.13 H new ATOM 54 N PHE A 4 3.161 -7.900 -5.404 1.00 63.44 N ATOM 55 CA PHE A 4 3.001 -9.350 -5.379 1.00 13.40 C ATOM 56 C PHE A 4 4.053 -10.029 -6.250 1.00 42.23 C ATOM 57 O PHE A 4 4.215 -9.692 -7.424 1.00 14.55 O ATOM 58 CB PHE A 4 1.600 -9.737 -5.856 1.00 73.24 C ATOM 59 CG PHE A 4 0.571 -9.735 -4.762 1.00 3.44 C ATOM 60 CD1 PHE A 4 -0.209 -10.855 -4.523 1.00 42.42 C ATOM 61 CD2 PHE A 4 0.384 -8.612 -3.971 1.00 44.14 C ATOM 62 CE1 PHE A 4 -1.156 -10.856 -3.516 1.00 42.33 C ATOM 63 CE2 PHE A 4 -0.561 -8.607 -2.963 1.00 23.41 C ATOM 64 CZ PHE A 4 -1.333 -9.730 -2.736 1.00 24.11 C ATOM 0 H PHE A 4 2.988 -7.472 -6.314 1.00 63.44 H new ATOM 0 HA PHE A 4 3.134 -9.688 -4.351 1.00 13.40 H new ATOM 0 HB2 PHE A 4 1.288 -9.045 -6.639 1.00 73.24 H new ATOM 0 HB3 PHE A 4 1.639 -10.730 -6.305 1.00 73.24 H new ATOM 0 HD1 PHE A 4 -0.075 -11.738 -5.131 1.00 42.42 H new ATOM 0 HD2 PHE A 4 0.984 -7.731 -4.145 1.00 44.14 H new ATOM 0 HE1 PHE A 4 -1.757 -11.736 -3.339 1.00 42.33 H new ATOM 0 HE2 PHE A 4 -0.696 -7.726 -2.353 1.00 23.41 H new ATOM 0 HZ PHE A 4 -2.074 -9.727 -1.950 1.00 24.11 H new ATOM 74 N ILE A 5 4.767 -10.986 -5.668 1.00 34.54 N ATOM 75 CA ILE A 5 5.803 -11.713 -6.390 1.00 71.42 C ATOM 76 C ILE A 5 5.501 -13.208 -6.429 1.00 1.43 C ATOM 77 O ILE A 5 4.998 -13.776 -5.459 1.00 65.23 O ATOM 78 CB ILE A 5 7.189 -11.497 -5.755 1.00 62.31 C ATOM 79 CG1 ILE A 5 7.555 -10.012 -5.769 1.00 14.52 C ATOM 80 CG2 ILE A 5 8.242 -12.314 -6.490 1.00 14.11 C ATOM 81 CD1 ILE A 5 7.197 -9.289 -4.489 1.00 31.53 C ATOM 0 H ILE A 5 4.647 -11.276 -4.698 1.00 34.54 H new ATOM 0 HA ILE A 5 5.813 -11.320 -7.407 1.00 71.42 H new ATOM 0 HB ILE A 5 7.153 -11.834 -4.719 1.00 62.31 H new ATOM 0 HG12 ILE A 5 8.626 -9.912 -5.946 1.00 14.52 H new ATOM 0 HG13 ILE A 5 7.047 -9.529 -6.604 1.00 14.52 H new ATOM 0 HG21 ILE A 5 9.216 -12.151 -6.029 1.00 14.11 H new ATOM 0 HG22 ILE A 5 7.987 -13.372 -6.433 1.00 14.11 H new ATOM 0 HG23 ILE A 5 8.278 -12.005 -7.535 1.00 14.11 H new ATOM 0 HD11 ILE A 5 7.485 -8.241 -4.570 1.00 31.53 H new ATOM 0 HD12 ILE A 5 6.122 -9.358 -4.321 1.00 31.53 H new ATOM 0 HD13 ILE A 5 7.725 -9.747 -3.653 1.00 31.53 H new ATOM 93 N LYS A 6 5.813 -13.840 -7.555 1.00 51.31 N ATOM 94 CA LYS A 6 5.579 -15.269 -7.721 1.00 33.32 C ATOM 95 C LYS A 6 6.835 -15.971 -8.226 1.00 70.43 C ATOM 96 O LYS A 6 7.517 -15.477 -9.125 1.00 13.11 O ATOM 97 CB LYS A 6 4.422 -15.508 -8.694 1.00 33.13 C ATOM 98 CG LYS A 6 3.150 -14.766 -8.320 1.00 61.21 C ATOM 99 CD LYS A 6 2.176 -14.709 -9.485 1.00 13.44 C ATOM 100 CE LYS A 6 1.472 -16.041 -9.689 1.00 61.42 C ATOM 101 NZ LYS A 6 0.470 -15.977 -10.789 1.00 1.30 N ATOM 0 H LYS A 6 6.229 -13.384 -8.367 1.00 51.31 H new ATOM 0 HA LYS A 6 5.319 -15.684 -6.747 1.00 33.32 H new ATOM 0 HB2 LYS A 6 4.730 -15.203 -9.694 1.00 33.13 H new ATOM 0 HB3 LYS A 6 4.210 -16.576 -8.738 1.00 33.13 H new ATOM 0 HG2 LYS A 6 2.676 -15.259 -7.472 1.00 61.21 H new ATOM 0 HG3 LYS A 6 3.398 -13.753 -8.002 1.00 61.21 H new ATOM 0 HD2 LYS A 6 1.436 -13.929 -9.304 1.00 13.44 H new ATOM 0 HD3 LYS A 6 2.711 -14.436 -10.395 1.00 13.44 H new ATOM 0 HE2 LYS A 6 2.210 -16.811 -9.915 1.00 61.42 H new ATOM 0 HE3 LYS A 6 0.977 -16.335 -8.764 1.00 61.42 H new ATOM 0 HZ1 LYS A 6 0.012 -16.905 -10.896 1.00 1.30 H new ATOM 0 HZ2 LYS A 6 -0.249 -15.260 -10.563 1.00 1.30 H new ATOM 0 HZ3 LYS A 6 0.946 -15.721 -11.678 1.00 1.30 H new ATOM 115 N THR A 7 7.136 -17.128 -7.644 1.00 72.34 N ATOM 116 CA THR A 7 8.310 -17.898 -8.036 1.00 75.41 C ATOM 117 C THR A 7 7.933 -19.031 -8.984 1.00 34.54 C ATOM 118 O THR A 7 6.752 -19.309 -9.198 1.00 13.51 O ATOM 119 CB THR A 7 9.029 -18.489 -6.809 1.00 3.32 C ATOM 120 OG1 THR A 7 10.230 -19.153 -7.218 1.00 2.23 O ATOM 121 CG2 THR A 7 8.128 -19.468 -6.072 1.00 51.00 C ATOM 0 H THR A 7 6.583 -17.552 -6.899 1.00 72.34 H new ATOM 0 HA THR A 7 8.984 -17.210 -8.546 1.00 75.41 H new ATOM 0 HB THR A 7 9.278 -17.671 -6.133 1.00 3.32 H new ATOM 0 HG1 THR A 7 10.682 -19.525 -6.432 1.00 2.23 H new ATOM 0 HG21 THR A 7 8.658 -19.872 -5.209 1.00 51.00 H new ATOM 0 HG22 THR A 7 7.228 -18.952 -5.736 1.00 51.00 H new ATOM 0 HG23 THR A 7 7.851 -20.282 -6.742 1.00 51.00 H new ATOM 129 N LEU A 8 8.942 -19.684 -9.548 1.00 62.54 N ATOM 130 CA LEU A 8 8.716 -20.790 -10.474 1.00 5.44 C ATOM 131 C LEU A 8 7.904 -21.897 -9.811 1.00 75.10 C ATOM 132 O LEU A 8 7.185 -22.641 -10.480 1.00 44.01 O ATOM 133 CB LEU A 8 10.052 -21.348 -10.968 1.00 2.31 C ATOM 134 CG LEU A 8 9.969 -22.510 -11.958 1.00 31.23 C ATOM 135 CD1 LEU A 8 11.164 -22.498 -12.898 1.00 2.42 C ATOM 136 CD2 LEU A 8 9.885 -23.837 -11.217 1.00 12.43 C ATOM 0 H LEU A 8 9.925 -19.468 -9.381 1.00 62.54 H new ATOM 0 HA LEU A 8 8.151 -20.410 -11.325 1.00 5.44 H new ATOM 0 HB2 LEU A 8 10.611 -20.537 -11.436 1.00 2.31 H new ATOM 0 HB3 LEU A 8 10.629 -21.675 -10.103 1.00 2.31 H new ATOM 0 HG LEU A 8 9.064 -22.390 -12.553 1.00 31.23 H new ATOM 0 HD11 LEU A 8 11.087 -23.332 -13.595 1.00 2.42 H new ATOM 0 HD12 LEU A 8 11.180 -21.561 -13.454 1.00 2.42 H new ATOM 0 HD13 LEU A 8 12.083 -22.592 -12.319 1.00 2.42 H new ATOM 0 HD21 LEU A 8 9.827 -24.653 -11.937 1.00 12.43 H new ATOM 0 HD22 LEU A 8 10.772 -23.964 -10.596 1.00 12.43 H new ATOM 0 HD23 LEU A 8 8.996 -23.846 -10.586 1.00 12.43 H new ATOM 148 N THR A 9 8.019 -22.000 -8.491 1.00 24.44 N ATOM 149 CA THR A 9 7.295 -23.016 -7.737 1.00 0.21 C ATOM 150 C THR A 9 5.826 -22.641 -7.580 1.00 52.44 C ATOM 151 O THR A 9 5.028 -23.419 -7.060 1.00 23.24 O ATOM 152 CB THR A 9 7.911 -23.225 -6.341 1.00 21.33 C ATOM 153 OG1 THR A 9 7.467 -22.196 -5.450 1.00 4.40 O ATOM 154 CG2 THR A 9 9.431 -23.220 -6.413 1.00 54.14 C ATOM 0 H THR A 9 8.607 -21.392 -7.921 1.00 24.44 H new ATOM 0 HA THR A 9 7.372 -23.944 -8.303 1.00 0.21 H new ATOM 0 HB THR A 9 7.584 -24.195 -5.966 1.00 21.33 H new ATOM 0 HG1 THR A 9 7.862 -22.337 -4.564 1.00 4.40 H new ATOM 0 HG21 THR A 9 9.843 -23.369 -5.415 1.00 54.14 H new ATOM 0 HG22 THR A 9 9.767 -24.024 -7.068 1.00 54.14 H new ATOM 0 HG23 THR A 9 9.773 -22.263 -6.807 1.00 54.14 H new ATOM 162 N GLY A 10 5.474 -21.442 -8.036 1.00 10.11 N ATOM 163 CA GLY A 10 4.100 -20.985 -7.937 1.00 41.14 C ATOM 164 C GLY A 10 3.746 -20.509 -6.542 1.00 72.34 C ATOM 165 O GLY A 10 2.581 -20.541 -6.144 1.00 42.44 O ATOM 0 H GLY A 10 6.116 -20.780 -8.472 1.00 10.11 H new ATOM 0 HA2 GLY A 10 3.938 -20.173 -8.646 1.00 41.14 H new ATOM 0 HA3 GLY A 10 3.429 -21.796 -8.222 1.00 41.14 H new ATOM 169 N LYS A 11 4.753 -20.069 -5.796 1.00 13.32 N ATOM 170 CA LYS A 11 4.543 -19.585 -4.436 1.00 42.45 C ATOM 171 C LYS A 11 4.281 -18.082 -4.428 1.00 74.04 C ATOM 172 O LYS A 11 4.900 -17.329 -5.181 1.00 14.43 O ATOM 173 CB LYS A 11 5.760 -19.905 -3.566 1.00 22.02 C ATOM 174 CG LYS A 11 5.440 -20.001 -2.084 1.00 51.41 C ATOM 175 CD LYS A 11 6.630 -20.510 -1.288 1.00 75.51 C ATOM 176 CE LYS A 11 6.205 -21.031 0.077 1.00 42.23 C ATOM 177 NZ LYS A 11 7.318 -20.970 1.064 1.00 1.42 N ATOM 0 H LYS A 11 5.723 -20.037 -6.110 1.00 13.32 H new ATOM 0 HA LYS A 11 3.668 -20.091 -4.028 1.00 42.45 H new ATOM 0 HB2 LYS A 11 6.195 -20.848 -3.897 1.00 22.02 H new ATOM 0 HB3 LYS A 11 6.516 -19.135 -3.717 1.00 22.02 H new ATOM 0 HG2 LYS A 11 5.144 -19.021 -1.711 1.00 51.41 H new ATOM 0 HG3 LYS A 11 4.591 -20.668 -1.937 1.00 51.41 H new ATOM 0 HD2 LYS A 11 7.128 -21.305 -1.843 1.00 75.51 H new ATOM 0 HD3 LYS A 11 7.356 -19.707 -1.162 1.00 75.51 H new ATOM 0 HE2 LYS A 11 5.362 -20.445 0.443 1.00 42.23 H new ATOM 0 HE3 LYS A 11 5.860 -22.061 -0.018 1.00 42.23 H new ATOM 0 HZ1 LYS A 11 6.989 -21.333 1.981 1.00 1.42 H new ATOM 0 HZ2 LYS A 11 8.113 -21.550 0.727 1.00 1.42 H new ATOM 0 HZ3 LYS A 11 7.631 -19.984 1.174 1.00 1.42 H new ATOM 191 N THR A 12 3.360 -17.651 -3.572 1.00 34.21 N ATOM 192 CA THR A 12 3.016 -16.239 -3.466 1.00 34.03 C ATOM 193 C THR A 12 3.870 -15.543 -2.413 1.00 0.33 C ATOM 194 O THR A 12 3.856 -15.920 -1.241 1.00 3.45 O ATOM 195 CB THR A 12 1.529 -16.048 -3.112 1.00 74.03 C ATOM 196 OG1 THR A 12 0.705 -16.648 -4.118 1.00 71.31 O ATOM 197 CG2 THR A 12 1.188 -14.571 -2.986 1.00 11.23 C ATOM 0 H THR A 12 2.839 -18.260 -2.942 1.00 34.21 H new ATOM 0 HA THR A 12 3.210 -15.792 -4.441 1.00 34.03 H new ATOM 0 HB THR A 12 1.342 -16.531 -2.153 1.00 74.03 H new ATOM 0 HG1 THR A 12 -0.239 -16.524 -3.885 1.00 71.31 H new ATOM 0 HG21 THR A 12 0.133 -14.461 -2.736 1.00 11.23 H new ATOM 0 HG22 THR A 12 1.796 -14.123 -2.200 1.00 11.23 H new ATOM 0 HG23 THR A 12 1.391 -14.069 -3.932 1.00 11.23 H new ATOM 205 N ILE A 13 4.612 -14.525 -2.837 1.00 74.35 N ATOM 206 CA ILE A 13 5.471 -13.776 -1.930 1.00 12.44 C ATOM 207 C ILE A 13 5.166 -12.283 -1.991 1.00 15.21 C ATOM 208 O ILE A 13 5.264 -11.660 -3.049 1.00 10.02 O ATOM 209 CB ILE A 13 6.960 -13.997 -2.252 1.00 63.23 C ATOM 210 CG1 ILE A 13 7.252 -15.490 -2.417 1.00 62.04 C ATOM 211 CG2 ILE A 13 7.834 -13.399 -1.160 1.00 13.23 C ATOM 212 CD1 ILE A 13 8.699 -15.791 -2.739 1.00 43.25 C ATOM 0 H ILE A 13 4.635 -14.201 -3.804 1.00 74.35 H new ATOM 0 HA ILE A 13 5.266 -14.146 -0.925 1.00 12.44 H new ATOM 0 HB ILE A 13 7.191 -13.494 -3.191 1.00 63.23 H new ATOM 0 HG12 ILE A 13 6.977 -16.009 -1.499 1.00 62.04 H new ATOM 0 HG13 ILE A 13 6.621 -15.890 -3.211 1.00 62.04 H new ATOM 0 HG21 ILE A 13 8.884 -13.564 -1.403 1.00 13.23 H new ATOM 0 HG22 ILE A 13 7.642 -12.329 -1.086 1.00 13.23 H new ATOM 0 HG23 ILE A 13 7.603 -13.876 -0.207 1.00 13.23 H new ATOM 0 HD11 ILE A 13 8.832 -16.868 -2.842 1.00 43.25 H new ATOM 0 HD12 ILE A 13 8.974 -15.300 -3.673 1.00 43.25 H new ATOM 0 HD13 ILE A 13 9.335 -15.422 -1.935 1.00 43.25 H new ATOM 224 N THR A 14 4.796 -11.712 -0.848 1.00 73.44 N ATOM 225 CA THR A 14 4.477 -10.292 -0.771 1.00 74.42 C ATOM 226 C THR A 14 5.231 -9.621 0.370 1.00 11.35 C ATOM 227 O THR A 14 5.335 -10.171 1.466 1.00 3.34 O ATOM 228 CB THR A 14 2.965 -10.066 -0.576 1.00 45.04 C ATOM 229 OG1 THR A 14 2.575 -10.473 0.740 1.00 51.22 O ATOM 230 CG2 THR A 14 2.164 -10.842 -1.611 1.00 42.51 C ATOM 0 H THR A 14 4.710 -12.212 0.037 1.00 73.44 H new ATOM 0 HA THR A 14 4.784 -9.847 -1.717 1.00 74.42 H new ATOM 0 HB THR A 14 2.759 -9.003 -0.703 1.00 45.04 H new ATOM 0 HG1 THR A 14 1.613 -10.325 0.857 1.00 51.22 H new ATOM 0 HG21 THR A 14 1.100 -10.667 -1.453 1.00 42.51 H new ATOM 0 HG22 THR A 14 2.442 -10.509 -2.611 1.00 42.51 H new ATOM 0 HG23 THR A 14 2.375 -11.907 -1.511 1.00 42.51 H new ATOM 238 N ALA A 15 5.755 -8.428 0.107 1.00 72.15 N ATOM 239 CA ALA A 15 6.497 -7.680 1.113 1.00 23.24 C ATOM 240 C ALA A 15 6.708 -6.234 0.679 1.00 54.23 C ATOM 241 O ALA A 15 6.993 -5.962 -0.487 1.00 63.30 O ATOM 242 CB ALA A 15 7.835 -8.350 1.389 1.00 63.43 C ATOM 0 H ALA A 15 5.679 -7.959 -0.796 1.00 72.15 H new ATOM 0 HA ALA A 15 5.909 -7.674 2.031 1.00 23.24 H new ATOM 0 HB1 ALA A 15 8.379 -7.780 2.143 1.00 63.43 H new ATOM 0 HB2 ALA A 15 7.666 -9.364 1.752 1.00 63.43 H new ATOM 0 HB3 ALA A 15 8.420 -8.387 0.470 1.00 63.43 H new ATOM 248 N GLU A 16 6.563 -5.310 1.623 1.00 4.34 N ATOM 249 CA GLU A 16 6.736 -3.891 1.336 1.00 44.43 C ATOM 250 C GLU A 16 8.214 -3.509 1.349 1.00 52.02 C ATOM 251 O GLU A 16 8.997 -4.036 2.140 1.00 72.21 O ATOM 252 CB GLU A 16 5.971 -3.044 2.355 1.00 53.14 C ATOM 253 CG GLU A 16 6.477 -3.200 3.779 1.00 53.03 C ATOM 254 CD GLU A 16 5.682 -2.377 4.774 1.00 73.12 C ATOM 255 OE1 GLU A 16 6.195 -1.330 5.221 1.00 22.34 O ATOM 256 OE2 GLU A 16 4.547 -2.780 5.105 1.00 1.51 O ATOM 0 H GLU A 16 6.326 -5.518 2.593 1.00 4.34 H new ATOM 0 HA GLU A 16 6.337 -3.697 0.340 1.00 44.43 H new ATOM 0 HB2 GLU A 16 6.039 -1.995 2.067 1.00 53.14 H new ATOM 0 HB3 GLU A 16 4.916 -3.316 2.322 1.00 53.14 H new ATOM 0 HG2 GLU A 16 6.431 -4.251 4.064 1.00 53.03 H new ATOM 0 HG3 GLU A 16 7.525 -2.903 3.823 1.00 53.03 H new ATOM 263 N THR A 17 8.589 -2.589 0.466 1.00 42.41 N ATOM 264 CA THR A 17 9.972 -2.137 0.374 1.00 53.14 C ATOM 265 C THR A 17 10.047 -0.621 0.234 1.00 13.32 C ATOM 266 O THR A 17 9.024 0.050 0.100 1.00 51.11 O ATOM 267 CB THR A 17 10.697 -2.787 -0.820 1.00 33.22 C ATOM 268 OG1 THR A 17 12.098 -2.497 -0.759 1.00 73.21 O ATOM 269 CG2 THR A 17 10.127 -2.286 -2.138 1.00 15.30 C ATOM 0 H THR A 17 7.954 -2.142 -0.196 1.00 42.41 H new ATOM 0 HA THR A 17 10.465 -2.439 1.298 1.00 53.14 H new ATOM 0 HB THR A 17 10.547 -3.865 -0.765 1.00 33.22 H new ATOM 0 HG1 THR A 17 12.400 -2.536 0.173 1.00 73.21 H new ATOM 0 HG21 THR A 17 10.655 -2.759 -2.966 1.00 15.30 H new ATOM 0 HG22 THR A 17 9.067 -2.535 -2.194 1.00 15.30 H new ATOM 0 HG23 THR A 17 10.250 -1.205 -2.200 1.00 15.30 H new ATOM 277 N GLU A 18 11.264 -0.087 0.267 1.00 70.55 N ATOM 278 CA GLU A 18 11.471 1.351 0.144 1.00 73.33 C ATOM 279 C GLU A 18 12.043 1.703 -1.226 1.00 41.13 C ATOM 280 O GLU A 18 12.602 0.861 -1.929 1.00 31.41 O ATOM 281 CB GLU A 18 12.409 1.849 1.244 1.00 3.44 C ATOM 282 CG GLU A 18 11.692 2.238 2.526 1.00 11.31 C ATOM 283 CD GLU A 18 12.441 3.293 3.317 1.00 24.43 C ATOM 284 OE1 GLU A 18 12.729 4.367 2.749 1.00 15.22 O ATOM 285 OE2 GLU A 18 12.741 3.044 4.504 1.00 70.54 O ATOM 0 H GLU A 18 12.121 -0.629 0.378 1.00 70.55 H new ATOM 0 HA GLU A 18 10.504 1.842 0.252 1.00 73.33 H new ATOM 0 HB2 GLU A 18 13.138 1.071 1.468 1.00 3.44 H new ATOM 0 HB3 GLU A 18 12.965 2.710 0.873 1.00 3.44 H new ATOM 0 HG2 GLU A 18 10.697 2.610 2.283 1.00 11.31 H new ATOM 0 HG3 GLU A 18 11.558 1.352 3.146 1.00 11.31 H new ATOM 292 N PRO A 19 11.901 2.979 -1.616 1.00 72.53 N ATOM 293 CA PRO A 19 12.397 3.473 -2.904 1.00 73.53 C ATOM 294 C PRO A 19 13.920 3.523 -2.958 1.00 52.32 C ATOM 295 O PRO A 19 14.507 3.698 -4.025 1.00 51.04 O ATOM 296 CB PRO A 19 11.811 4.884 -2.992 1.00 42.10 C ATOM 297 CG PRO A 19 11.597 5.294 -1.576 1.00 12.01 C ATOM 298 CD PRO A 19 11.245 4.037 -0.830 1.00 24.24 C ATOM 0 HA PRO A 19 12.105 2.824 -3.730 1.00 73.53 H new ATOM 0 HB2 PRO A 19 12.492 5.565 -3.503 1.00 42.10 H new ATOM 0 HB3 PRO A 19 10.876 4.890 -3.552 1.00 42.10 H new ATOM 0 HG2 PRO A 19 12.495 5.755 -1.163 1.00 12.01 H new ATOM 0 HG3 PRO A 19 10.797 6.030 -1.500 1.00 12.01 H new ATOM 0 HD2 PRO A 19 11.613 4.062 0.196 1.00 24.24 H new ATOM 0 HD3 PRO A 19 10.166 3.889 -0.778 1.00 24.24 H new ATOM 306 N ALA A 20 14.554 3.369 -1.800 1.00 53.03 N ATOM 307 CA ALA A 20 16.009 3.395 -1.717 1.00 33.13 C ATOM 308 C ALA A 20 16.589 1.987 -1.804 1.00 13.23 C ATOM 309 O ALA A 20 17.728 1.801 -2.231 1.00 13.35 O ATOM 310 CB ALA A 20 16.451 4.071 -0.428 1.00 4.52 C ATOM 0 H ALA A 20 14.083 3.225 -0.907 1.00 53.03 H new ATOM 0 HA ALA A 20 16.387 3.968 -2.564 1.00 33.13 H new ATOM 0 HB1 ALA A 20 17.540 4.084 -0.379 1.00 4.52 H new ATOM 0 HB2 ALA A 20 16.075 5.094 -0.406 1.00 4.52 H new ATOM 0 HB3 ALA A 20 16.056 3.521 0.426 1.00 4.52 H new ATOM 316 N GLU A 21 15.798 1.000 -1.396 1.00 34.15 N ATOM 317 CA GLU A 21 16.235 -0.391 -1.427 1.00 12.14 C ATOM 318 C GLU A 21 15.100 -1.308 -1.874 1.00 22.12 C ATOM 319 O GLU A 21 14.649 -2.170 -1.119 1.00 74.43 O ATOM 320 CB GLU A 21 16.739 -0.821 -0.048 1.00 5.14 C ATOM 321 CG GLU A 21 15.724 -0.614 1.064 1.00 45.51 C ATOM 322 CD GLU A 21 16.129 0.487 2.025 1.00 13.32 C ATOM 323 OE1 GLU A 21 16.839 1.420 1.594 1.00 61.53 O ATOM 324 OE2 GLU A 21 15.735 0.417 3.208 1.00 24.22 O ATOM 0 H GLU A 21 14.852 1.137 -1.040 1.00 34.15 H new ATOM 0 HA GLU A 21 17.050 -0.473 -2.146 1.00 12.14 H new ATOM 0 HB2 GLU A 21 17.016 -1.875 -0.084 1.00 5.14 H new ATOM 0 HB3 GLU A 21 17.644 -0.262 0.189 1.00 5.14 H new ATOM 0 HG2 GLU A 21 14.756 -0.371 0.627 1.00 45.51 H new ATOM 0 HG3 GLU A 21 15.600 -1.546 1.616 1.00 45.51 H new ATOM 331 N THR A 22 14.643 -1.116 -3.107 1.00 54.41 N ATOM 332 CA THR A 22 13.560 -1.923 -3.655 1.00 41.14 C ATOM 333 C THR A 22 14.047 -3.320 -4.022 1.00 24.14 C ATOM 334 O THR A 22 13.459 -4.321 -3.612 1.00 51.12 O ATOM 335 CB THR A 22 12.944 -1.263 -4.903 1.00 73.03 C ATOM 336 OG1 THR A 22 12.159 -0.128 -4.520 1.00 72.33 O ATOM 337 CG2 THR A 22 12.075 -2.253 -5.666 1.00 5.44 C ATOM 0 H THR A 22 15.006 -0.408 -3.745 1.00 54.41 H new ATOM 0 HA THR A 22 12.798 -1.998 -2.879 1.00 41.14 H new ATOM 0 HB THR A 22 13.756 -0.940 -5.554 1.00 73.03 H new ATOM 0 HG1 THR A 22 12.400 0.144 -3.610 1.00 72.33 H new ATOM 0 HG21 THR A 22 11.651 -1.764 -6.543 1.00 5.44 H new ATOM 0 HG22 THR A 22 12.682 -3.102 -5.981 1.00 5.44 H new ATOM 0 HG23 THR A 22 11.269 -2.603 -5.020 1.00 5.44 H new ATOM 345 N VAL A 23 15.127 -3.382 -4.795 1.00 11.41 N ATOM 346 CA VAL A 23 15.695 -4.657 -5.215 1.00 33.11 C ATOM 347 C VAL A 23 16.441 -5.331 -4.069 1.00 12.34 C ATOM 348 O VAL A 23 16.244 -6.515 -3.798 1.00 3.25 O ATOM 349 CB VAL A 23 16.657 -4.479 -6.404 1.00 52.34 C ATOM 350 CG1 VAL A 23 17.303 -5.805 -6.772 1.00 64.51 C ATOM 351 CG2 VAL A 23 15.924 -3.885 -7.598 1.00 15.23 C ATOM 0 H VAL A 23 15.626 -2.563 -5.143 1.00 11.41 H new ATOM 0 HA VAL A 23 14.861 -5.288 -5.523 1.00 33.11 H new ATOM 0 HB VAL A 23 17.446 -3.787 -6.109 1.00 52.34 H new ATOM 0 HG11 VAL A 23 17.979 -5.659 -7.614 1.00 64.51 H new ATOM 0 HG12 VAL A 23 17.864 -6.186 -5.918 1.00 64.51 H new ATOM 0 HG13 VAL A 23 16.530 -6.522 -7.048 1.00 64.51 H new ATOM 0 HG21 VAL A 23 16.619 -3.766 -8.429 1.00 15.23 H new ATOM 0 HG22 VAL A 23 15.113 -4.550 -7.895 1.00 15.23 H new ATOM 0 HG23 VAL A 23 15.514 -2.912 -7.326 1.00 15.23 H new ATOM 361 N ALA A 24 17.298 -4.567 -3.398 1.00 75.41 N ATOM 362 CA ALA A 24 18.072 -5.089 -2.279 1.00 33.51 C ATOM 363 C ALA A 24 17.163 -5.722 -1.230 1.00 52.33 C ATOM 364 O ALA A 24 17.559 -6.657 -0.535 1.00 34.41 O ATOM 365 CB ALA A 24 18.910 -3.983 -1.656 1.00 21.45 C ATOM 0 H ALA A 24 17.473 -3.585 -3.610 1.00 75.41 H new ATOM 0 HA ALA A 24 18.738 -5.864 -2.660 1.00 33.51 H new ATOM 0 HB1 ALA A 24 19.483 -4.387 -0.821 1.00 21.45 H new ATOM 0 HB2 ALA A 24 19.593 -3.579 -2.403 1.00 21.45 H new ATOM 0 HB3 ALA A 24 18.255 -3.189 -1.296 1.00 21.45 H new ATOM 371 N ASP A 25 15.944 -5.205 -1.121 1.00 50.45 N ATOM 372 CA ASP A 25 14.978 -5.719 -0.157 1.00 64.24 C ATOM 373 C ASP A 25 14.494 -7.108 -0.562 1.00 20.12 C ATOM 374 O ASP A 25 14.350 -7.996 0.279 1.00 34.34 O ATOM 375 CB ASP A 25 13.789 -4.766 -0.036 1.00 54.35 C ATOM 376 CG ASP A 25 12.667 -5.343 0.804 1.00 72.42 C ATOM 377 OD1 ASP A 25 12.643 -5.080 2.025 1.00 62.04 O ATOM 378 OD2 ASP A 25 11.812 -6.058 0.241 1.00 72.14 O ATOM 0 H ASP A 25 15.601 -4.430 -1.689 1.00 50.45 H new ATOM 0 HA ASP A 25 15.473 -5.794 0.811 1.00 64.24 H new ATOM 0 HB2 ASP A 25 14.123 -3.827 0.405 1.00 54.35 H new ATOM 0 HB3 ASP A 25 13.411 -4.533 -1.032 1.00 54.35 H new ATOM 383 N LEU A 26 14.244 -7.289 -1.854 1.00 14.42 N ATOM 384 CA LEU A 26 13.774 -8.570 -2.370 1.00 41.54 C ATOM 385 C LEU A 26 14.920 -9.572 -2.465 1.00 42.54 C ATOM 386 O LEU A 26 14.729 -10.771 -2.263 1.00 43.13 O ATOM 387 CB LEU A 26 13.130 -8.382 -3.745 1.00 61.13 C ATOM 388 CG LEU A 26 11.619 -8.607 -3.815 1.00 43.01 C ATOM 389 CD1 LEU A 26 11.267 -10.011 -3.350 1.00 35.22 C ATOM 390 CD2 LEU A 26 10.886 -7.567 -2.981 1.00 2.22 C ATOM 0 H LEU A 26 14.359 -6.565 -2.563 1.00 14.42 H new ATOM 0 HA LEU A 26 13.030 -8.962 -1.677 1.00 41.54 H new ATOM 0 HB2 LEU A 26 13.343 -7.370 -4.088 1.00 61.13 H new ATOM 0 HB3 LEU A 26 13.612 -9.064 -4.446 1.00 61.13 H new ATOM 0 HG LEU A 26 11.302 -8.500 -4.852 1.00 43.01 H new ATOM 0 HD11 LEU A 26 10.188 -10.153 -3.407 1.00 35.22 H new ATOM 0 HD12 LEU A 26 11.763 -10.741 -3.989 1.00 35.22 H new ATOM 0 HD13 LEU A 26 11.597 -10.147 -2.320 1.00 35.22 H new ATOM 0 HD21 LEU A 26 9.812 -7.742 -3.042 1.00 2.22 H new ATOM 0 HD22 LEU A 26 11.207 -7.642 -1.942 1.00 2.22 H new ATOM 0 HD23 LEU A 26 11.113 -6.571 -3.360 1.00 2.22 H new ATOM 402 N LYS A 27 16.112 -9.071 -2.772 1.00 64.52 N ATOM 403 CA LYS A 27 17.291 -9.921 -2.891 1.00 25.03 C ATOM 404 C LYS A 27 17.677 -10.508 -1.537 1.00 24.03 C ATOM 405 O LYS A 27 17.959 -11.701 -1.426 1.00 2.24 O ATOM 406 CB LYS A 27 18.464 -9.124 -3.466 1.00 3.44 C ATOM 407 CG LYS A 27 18.164 -8.484 -4.810 1.00 71.02 C ATOM 408 CD LYS A 27 18.654 -9.348 -5.960 1.00 50.44 C ATOM 409 CE LYS A 27 20.090 -9.014 -6.336 1.00 15.51 C ATOM 410 NZ LYS A 27 21.067 -9.632 -5.398 1.00 34.41 N ATOM 0 H LYS A 27 16.287 -8.081 -2.943 1.00 64.52 H new ATOM 0 HA LYS A 27 17.050 -10.741 -3.568 1.00 25.03 H new ATOM 0 HB2 LYS A 27 18.745 -8.345 -2.757 1.00 3.44 H new ATOM 0 HB3 LYS A 27 19.324 -9.785 -3.572 1.00 3.44 H new ATOM 0 HG2 LYS A 27 17.090 -8.323 -4.906 1.00 71.02 H new ATOM 0 HG3 LYS A 27 18.639 -7.504 -4.862 1.00 71.02 H new ATOM 0 HD2 LYS A 27 18.585 -10.400 -5.682 1.00 50.44 H new ATOM 0 HD3 LYS A 27 18.007 -9.204 -6.826 1.00 50.44 H new ATOM 0 HE2 LYS A 27 20.290 -9.361 -7.350 1.00 15.51 H new ATOM 0 HE3 LYS A 27 20.223 -7.932 -6.338 1.00 15.51 H new ATOM 0 HZ1 LYS A 27 22.027 -9.541 -5.787 1.00 34.41 H new ATOM 0 HZ2 LYS A 27 21.019 -9.149 -4.478 1.00 34.41 H new ATOM 0 HZ3 LYS A 27 20.839 -10.639 -5.273 1.00 34.41 H new ATOM 424 N GLN A 28 17.686 -9.663 -0.511 1.00 42.31 N ATOM 425 CA GLN A 28 18.037 -10.099 0.835 1.00 32.42 C ATOM 426 C GLN A 28 16.932 -10.966 1.431 1.00 1.54 C ATOM 427 O GLN A 28 17.203 -11.967 2.094 1.00 60.42 O ATOM 428 CB GLN A 28 18.295 -8.890 1.735 1.00 11.04 C ATOM 429 CG GLN A 28 18.863 -9.255 3.097 1.00 25.41 C ATOM 430 CD GLN A 28 19.112 -8.042 3.970 1.00 4.44 C ATOM 431 OE1 GLN A 28 19.052 -6.904 3.504 1.00 43.33 O ATOM 432 NE2 GLN A 28 19.394 -8.278 5.247 1.00 52.35 N ATOM 0 H GLN A 28 17.454 -8.673 -0.586 1.00 42.31 H new ATOM 0 HA GLN A 28 18.947 -10.695 0.771 1.00 32.42 H new ATOM 0 HB2 GLN A 28 18.986 -8.214 1.232 1.00 11.04 H new ATOM 0 HB3 GLN A 28 17.361 -8.345 1.874 1.00 11.04 H new ATOM 0 HG2 GLN A 28 18.173 -9.928 3.606 1.00 25.41 H new ATOM 0 HG3 GLN A 28 19.798 -9.799 2.962 1.00 25.41 H new ATOM 0 HE21 GLN A 28 19.434 -9.237 5.592 1.00 52.35 H new ATOM 0 HE22 GLN A 28 19.571 -7.500 5.882 1.00 52.35 H new ATOM 441 N LYS A 29 15.685 -10.573 1.192 1.00 24.05 N ATOM 442 CA LYS A 29 14.538 -11.313 1.705 1.00 63.15 C ATOM 443 C LYS A 29 14.553 -12.754 1.204 1.00 53.23 C ATOM 444 O LYS A 29 14.420 -13.694 1.987 1.00 33.43 O ATOM 445 CB LYS A 29 13.235 -10.629 1.285 1.00 63.12 C ATOM 446 CG LYS A 29 12.781 -9.544 2.246 1.00 42.25 C ATOM 447 CD LYS A 29 11.868 -10.101 3.325 1.00 42.12 C ATOM 448 CE LYS A 29 11.240 -8.990 4.152 1.00 4.51 C ATOM 449 NZ LYS A 29 12.124 -8.565 5.273 1.00 64.41 N ATOM 0 H LYS A 29 15.443 -9.746 0.646 1.00 24.05 H new ATOM 0 HA LYS A 29 14.601 -11.324 2.793 1.00 63.15 H new ATOM 0 HB2 LYS A 29 13.366 -10.194 0.294 1.00 63.12 H new ATOM 0 HB3 LYS A 29 12.450 -11.381 1.202 1.00 63.12 H new ATOM 0 HG2 LYS A 29 13.652 -9.079 2.709 1.00 42.25 H new ATOM 0 HG3 LYS A 29 12.259 -8.763 1.694 1.00 42.25 H new ATOM 0 HD2 LYS A 29 11.083 -10.701 2.865 1.00 42.12 H new ATOM 0 HD3 LYS A 29 12.436 -10.765 3.977 1.00 42.12 H new ATOM 0 HE2 LYS A 29 11.030 -8.134 3.511 1.00 4.51 H new ATOM 0 HE3 LYS A 29 10.285 -9.330 4.552 1.00 4.51 H new ATOM 0 HZ1 LYS A 29 11.660 -7.806 5.813 1.00 64.41 H new ATOM 0 HZ2 LYS A 29 12.304 -9.375 5.900 1.00 64.41 H new ATOM 0 HZ3 LYS A 29 13.026 -8.216 4.891 1.00 64.41 H new ATOM 463 N ILE A 30 14.716 -12.919 -0.105 1.00 2.05 N ATOM 464 CA ILE A 30 14.751 -14.245 -0.708 1.00 74.32 C ATOM 465 C ILE A 30 16.020 -14.994 -0.318 1.00 23.11 C ATOM 466 O ILE A 30 16.019 -16.219 -0.200 1.00 21.04 O ATOM 467 CB ILE A 30 14.666 -14.167 -2.244 1.00 34.20 C ATOM 468 CG1 ILE A 30 13.370 -13.473 -2.670 1.00 45.03 C ATOM 469 CG2 ILE A 30 14.751 -15.560 -2.851 1.00 0.24 C ATOM 470 CD1 ILE A 30 13.460 -12.806 -4.025 1.00 71.42 C ATOM 0 H ILE A 30 14.826 -12.151 -0.767 1.00 2.05 H new ATOM 0 HA ILE A 30 13.883 -14.786 -0.331 1.00 74.32 H new ATOM 0 HB ILE A 30 15.508 -13.580 -2.610 1.00 34.20 H new ATOM 0 HG12 ILE A 30 12.563 -14.206 -2.688 1.00 45.03 H new ATOM 0 HG13 ILE A 30 13.105 -12.725 -1.923 1.00 45.03 H new ATOM 0 HG21 ILE A 30 14.689 -15.488 -3.937 1.00 0.24 H new ATOM 0 HG22 ILE A 30 15.698 -16.022 -2.571 1.00 0.24 H new ATOM 0 HG23 ILE A 30 13.927 -16.169 -2.480 1.00 0.24 H new ATOM 0 HD11 ILE A 30 12.506 -12.335 -4.263 1.00 71.42 H new ATOM 0 HD12 ILE A 30 14.244 -12.049 -4.007 1.00 71.42 H new ATOM 0 HD13 ILE A 30 13.694 -13.553 -4.783 1.00 71.42 H new ATOM 482 N ALA A 31 17.102 -14.249 -0.117 1.00 42.14 N ATOM 483 CA ALA A 31 18.378 -14.842 0.264 1.00 42.43 C ATOM 484 C ALA A 31 18.240 -15.670 1.536 1.00 22.52 C ATOM 485 O ALA A 31 18.661 -16.827 1.584 1.00 54.40 O ATOM 486 CB ALA A 31 19.429 -13.757 0.449 1.00 24.32 C ATOM 0 H ALA A 31 17.120 -13.234 -0.212 1.00 42.14 H new ATOM 0 HA ALA A 31 18.696 -15.508 -0.538 1.00 42.43 H new ATOM 0 HB1 ALA A 31 20.377 -14.214 0.733 1.00 24.32 H new ATOM 0 HB2 ALA A 31 19.555 -13.210 -0.485 1.00 24.32 H new ATOM 0 HB3 ALA A 31 19.108 -13.069 1.232 1.00 24.32 H new ATOM 492 N ASP A 32 17.650 -15.072 2.565 1.00 32.40 N ATOM 493 CA ASP A 32 17.456 -15.756 3.839 1.00 42.14 C ATOM 494 C ASP A 32 16.303 -16.751 3.751 1.00 2.05 C ATOM 495 O ASP A 32 16.246 -17.720 4.509 1.00 42.10 O ATOM 496 CB ASP A 32 17.187 -14.741 4.951 1.00 65.02 C ATOM 497 CG ASP A 32 17.331 -15.346 6.334 1.00 53.15 C ATOM 498 OD1 ASP A 32 18.120 -16.303 6.484 1.00 15.42 O ATOM 499 OD2 ASP A 32 16.655 -14.862 7.265 1.00 32.12 O ATOM 0 H ASP A 32 17.298 -14.115 2.542 1.00 32.40 H new ATOM 0 HA ASP A 32 18.369 -16.305 4.072 1.00 42.14 H new ATOM 0 HB2 ASP A 32 17.878 -13.904 4.850 1.00 65.02 H new ATOM 0 HB3 ASP A 32 16.180 -14.339 4.836 1.00 65.02 H new ATOM 504 N LYS A 33 15.385 -16.505 2.823 1.00 11.23 N ATOM 505 CA LYS A 33 14.232 -17.378 2.636 1.00 65.21 C ATOM 506 C LYS A 33 14.663 -18.738 2.094 1.00 15.31 C ATOM 507 O LYS A 33 14.077 -19.765 2.435 1.00 11.32 O ATOM 508 CB LYS A 33 13.227 -16.732 1.681 1.00 53.33 C ATOM 509 CG LYS A 33 12.047 -17.626 1.343 1.00 34.41 C ATOM 510 CD LYS A 33 10.979 -16.873 0.568 1.00 42.33 C ATOM 511 CE LYS A 33 9.992 -16.187 1.500 1.00 24.23 C ATOM 512 NZ LYS A 33 10.422 -14.803 1.842 1.00 51.22 N ATOM 0 H LYS A 33 15.417 -15.707 2.188 1.00 11.23 H new ATOM 0 HA LYS A 33 13.758 -17.526 3.606 1.00 65.21 H new ATOM 0 HB2 LYS A 33 12.857 -15.809 2.127 1.00 53.33 H new ATOM 0 HB3 LYS A 33 13.740 -16.457 0.759 1.00 53.33 H new ATOM 0 HG2 LYS A 33 12.391 -18.477 0.756 1.00 34.41 H new ATOM 0 HG3 LYS A 33 11.617 -18.025 2.262 1.00 34.41 H new ATOM 0 HD2 LYS A 33 11.451 -16.130 -0.075 1.00 42.33 H new ATOM 0 HD3 LYS A 33 10.445 -17.565 -0.083 1.00 42.33 H new ATOM 0 HE2 LYS A 33 9.009 -16.156 1.029 1.00 24.23 H new ATOM 0 HE3 LYS A 33 9.889 -16.772 2.414 1.00 24.23 H new ATOM 0 HZ1 LYS A 33 9.667 -14.133 1.591 1.00 51.22 H new ATOM 0 HZ2 LYS A 33 10.614 -14.741 2.862 1.00 51.22 H new ATOM 0 HZ3 LYS A 33 11.285 -14.567 1.312 1.00 51.22 H new ATOM 526 N GLU A 34 15.690 -18.735 1.250 1.00 34.50 N ATOM 527 CA GLU A 34 16.197 -19.970 0.663 1.00 43.34 C ATOM 528 C GLU A 34 17.511 -20.384 1.319 1.00 62.22 C ATOM 529 O GLU A 34 17.984 -21.505 1.133 1.00 0.32 O ATOM 530 CB GLU A 34 16.399 -19.798 -0.844 1.00 60.24 C ATOM 531 CG GLU A 34 15.102 -19.794 -1.636 1.00 32.24 C ATOM 532 CD GLU A 34 14.279 -21.048 -1.413 1.00 32.22 C ATOM 533 OE1 GLU A 34 13.117 -20.924 -0.971 1.00 2.10 O ATOM 534 OE2 GLU A 34 14.796 -22.153 -1.680 1.00 33.02 O ATOM 0 H GLU A 34 16.186 -17.893 0.958 1.00 34.50 H new ATOM 0 HA GLU A 34 15.461 -20.755 0.837 1.00 43.34 H new ATOM 0 HB2 GLU A 34 16.929 -18.863 -1.027 1.00 60.24 H new ATOM 0 HB3 GLU A 34 17.036 -20.603 -1.211 1.00 60.24 H new ATOM 0 HG2 GLU A 34 14.512 -18.922 -1.355 1.00 32.24 H new ATOM 0 HG3 GLU A 34 15.329 -19.697 -2.698 1.00 32.24 H new ATOM 541 N GLY A 35 18.096 -19.470 2.087 1.00 25.42 N ATOM 542 CA GLY A 35 19.350 -19.759 2.759 1.00 42.32 C ATOM 543 C GLY A 35 20.551 -19.554 1.857 1.00 4.12 C ATOM 544 O GLY A 35 21.644 -20.043 2.145 1.00 32.12 O ATOM 0 H GLY A 35 17.724 -18.535 2.256 1.00 25.42 H new ATOM 0 HA2 GLY A 35 19.445 -19.119 3.636 1.00 42.32 H new ATOM 0 HA3 GLY A 35 19.339 -20.789 3.116 1.00 42.32 H new ATOM 548 N VAL A 36 20.350 -18.830 0.761 1.00 51.32 N ATOM 549 CA VAL A 36 21.425 -18.562 -0.187 1.00 1.33 C ATOM 550 C VAL A 36 21.758 -17.075 -0.235 1.00 15.44 C ATOM 551 O VAL A 36 20.936 -16.219 0.096 1.00 45.33 O ATOM 552 CB VAL A 36 21.057 -19.040 -1.604 1.00 33.03 C ATOM 553 CG1 VAL A 36 21.221 -20.548 -1.718 1.00 51.10 C ATOM 554 CG2 VAL A 36 19.637 -18.622 -1.954 1.00 53.03 C ATOM 0 H VAL A 36 19.452 -18.418 0.507 1.00 51.32 H new ATOM 0 HA VAL A 36 22.297 -19.116 0.160 1.00 1.33 H new ATOM 0 HB VAL A 36 21.736 -18.570 -2.316 1.00 33.03 H new ATOM 0 HG11 VAL A 36 20.957 -20.868 -2.726 1.00 51.10 H new ATOM 0 HG12 VAL A 36 22.257 -20.818 -1.512 1.00 51.10 H new ATOM 0 HG13 VAL A 36 20.567 -21.041 -0.998 1.00 51.10 H new ATOM 0 HG21 VAL A 36 19.393 -18.968 -2.959 1.00 53.03 H new ATOM 0 HG22 VAL A 36 18.941 -19.063 -1.240 1.00 53.03 H new ATOM 0 HG23 VAL A 36 19.557 -17.536 -1.915 1.00 53.03 H new ATOM 564 N PRO A 37 22.991 -16.757 -0.656 1.00 73.31 N ATOM 565 CA PRO A 37 23.460 -15.372 -0.758 1.00 63.44 C ATOM 566 C PRO A 37 22.773 -14.609 -1.885 1.00 15.20 C ATOM 567 O PRO A 37 22.396 -15.190 -2.903 1.00 10.11 O ATOM 568 CB PRO A 37 24.955 -15.525 -1.051 1.00 30.42 C ATOM 569 CG PRO A 37 25.080 -16.863 -1.695 1.00 0.03 C ATOM 570 CD PRO A 37 24.021 -17.726 -1.066 1.00 3.13 C ATOM 0 HA PRO A 37 23.244 -14.801 0.145 1.00 63.44 H new ATOM 0 HB2 PRO A 37 25.312 -14.734 -1.710 1.00 30.42 H new ATOM 0 HB3 PRO A 37 25.545 -15.469 -0.136 1.00 30.42 H new ATOM 0 HG2 PRO A 37 24.936 -16.792 -2.773 1.00 0.03 H new ATOM 0 HG3 PRO A 37 26.073 -17.283 -1.533 1.00 0.03 H new ATOM 0 HD2 PRO A 37 23.627 -18.457 -1.772 1.00 3.13 H new ATOM 0 HD3 PRO A 37 24.410 -18.283 -0.214 1.00 3.13 H new ATOM 578 N VAL A 38 22.612 -13.303 -1.697 1.00 11.24 N ATOM 579 CA VAL A 38 21.971 -12.459 -2.698 1.00 74.10 C ATOM 580 C VAL A 38 22.680 -12.567 -4.043 1.00 74.43 C ATOM 581 O VAL A 38 22.083 -12.325 -5.092 1.00 53.04 O ATOM 582 CB VAL A 38 21.950 -10.983 -2.258 1.00 60.14 C ATOM 583 CG1 VAL A 38 21.169 -10.822 -0.963 1.00 61.40 C ATOM 584 CG2 VAL A 38 23.368 -10.453 -2.105 1.00 72.40 C ATOM 0 H VAL A 38 22.917 -12.806 -0.860 1.00 11.24 H new ATOM 0 HA VAL A 38 20.946 -12.814 -2.801 1.00 74.10 H new ATOM 0 HB VAL A 38 21.449 -10.399 -3.030 1.00 60.14 H new ATOM 0 HG11 VAL A 38 21.165 -9.773 -0.668 1.00 61.40 H new ATOM 0 HG12 VAL A 38 20.144 -11.161 -1.112 1.00 61.40 H new ATOM 0 HG13 VAL A 38 21.637 -11.417 -0.179 1.00 61.40 H new ATOM 0 HG21 VAL A 38 23.335 -9.409 -1.794 1.00 72.40 H new ATOM 0 HG22 VAL A 38 23.896 -11.039 -1.353 1.00 72.40 H new ATOM 0 HG23 VAL A 38 23.890 -10.531 -3.059 1.00 72.40 H new ATOM 594 N ASP A 39 23.956 -12.934 -4.005 1.00 51.43 N ATOM 595 CA ASP A 39 24.747 -13.076 -5.222 1.00 21.00 C ATOM 596 C ASP A 39 24.147 -14.137 -6.139 1.00 61.12 C ATOM 597 O ASP A 39 24.396 -14.141 -7.344 1.00 51.14 O ATOM 598 CB ASP A 39 26.192 -13.441 -4.877 1.00 12.44 C ATOM 599 CG ASP A 39 26.868 -12.384 -4.025 1.00 34.23 C ATOM 600 OD1 ASP A 39 27.143 -11.285 -4.550 1.00 24.01 O ATOM 601 OD2 ASP A 39 27.120 -12.656 -2.832 1.00 71.35 O ATOM 0 H ASP A 39 24.465 -13.139 -3.145 1.00 51.43 H new ATOM 0 HA ASP A 39 24.737 -12.120 -5.746 1.00 21.00 H new ATOM 0 HB2 ASP A 39 26.207 -14.394 -4.348 1.00 12.44 H new ATOM 0 HB3 ASP A 39 26.759 -13.579 -5.798 1.00 12.44 H new ATOM 606 N GLN A 40 23.357 -15.035 -5.559 1.00 63.25 N ATOM 607 CA GLN A 40 22.724 -16.102 -6.325 1.00 73.12 C ATOM 608 C GLN A 40 21.269 -15.763 -6.631 1.00 13.41 C ATOM 609 O GLN A 40 20.652 -16.367 -7.508 1.00 22.12 O ATOM 610 CB GLN A 40 22.801 -17.424 -5.559 1.00 43.20 C ATOM 611 CG GLN A 40 24.222 -17.919 -5.343 1.00 61.31 C ATOM 612 CD GLN A 40 24.813 -18.556 -6.585 1.00 61.52 C ATOM 613 OE1 GLN A 40 25.766 -18.039 -7.169 1.00 21.33 O ATOM 614 NE2 GLN A 40 24.249 -19.686 -6.997 1.00 23.12 N ATOM 0 H GLN A 40 23.140 -15.045 -4.562 1.00 63.25 H new ATOM 0 HA GLN A 40 23.261 -16.205 -7.268 1.00 73.12 H new ATOM 0 HB2 GLN A 40 22.316 -17.302 -4.590 1.00 43.20 H new ATOM 0 HB3 GLN A 40 22.239 -18.183 -6.103 1.00 43.20 H new ATOM 0 HG2 GLN A 40 24.850 -17.084 -5.033 1.00 61.31 H new ATOM 0 HG3 GLN A 40 24.231 -18.643 -4.529 1.00 61.31 H new ATOM 0 HE21 GLN A 40 23.461 -20.080 -6.483 1.00 23.12 H new ATOM 0 HE22 GLN A 40 24.604 -20.160 -7.827 1.00 23.12 H new ATOM 623 N GLN A 41 20.727 -14.793 -5.902 1.00 13.53 N ATOM 624 CA GLN A 41 19.343 -14.374 -6.095 1.00 24.10 C ATOM 625 C GLN A 41 19.275 -13.063 -6.871 1.00 74.13 C ATOM 626 O GLN A 41 19.918 -12.079 -6.505 1.00 73.21 O ATOM 627 CB GLN A 41 18.642 -14.218 -4.745 1.00 21.25 C ATOM 628 CG GLN A 41 17.601 -13.110 -4.724 1.00 23.42 C ATOM 629 CD GLN A 41 16.519 -13.307 -5.767 1.00 10.10 C ATOM 630 OE1 GLN A 41 16.155 -12.374 -6.484 1.00 65.44 O ATOM 631 NE2 GLN A 41 15.997 -14.525 -5.857 1.00 44.32 N ATOM 0 H GLN A 41 21.225 -14.282 -5.173 1.00 13.53 H new ATOM 0 HA GLN A 41 18.834 -15.145 -6.674 1.00 24.10 H new ATOM 0 HB2 GLN A 41 18.162 -15.161 -4.483 1.00 21.25 H new ATOM 0 HB3 GLN A 41 19.390 -14.017 -3.978 1.00 21.25 H new ATOM 0 HG2 GLN A 41 17.144 -13.065 -3.736 1.00 23.42 H new ATOM 0 HG3 GLN A 41 18.092 -12.152 -4.892 1.00 23.42 H new ATOM 0 HE21 GLN A 41 16.329 -15.269 -5.243 1.00 44.32 H new ATOM 0 HE22 GLN A 41 15.264 -14.717 -6.540 1.00 44.32 H new ATOM 640 N ARG A 42 18.491 -13.057 -7.945 1.00 24.30 N ATOM 641 CA ARG A 42 18.340 -11.868 -8.774 1.00 2.41 C ATOM 642 C ARG A 42 16.870 -11.611 -9.093 1.00 43.23 C ATOM 643 O ARG A 42 16.060 -12.538 -9.128 1.00 63.15 O ATOM 644 CB ARG A 42 19.136 -12.020 -10.071 1.00 41.55 C ATOM 645 CG ARG A 42 19.466 -10.696 -10.742 1.00 71.02 C ATOM 646 CD ARG A 42 20.562 -10.857 -11.784 1.00 74.42 C ATOM 647 NE ARG A 42 20.166 -11.764 -12.858 1.00 61.44 N ATOM 648 CZ ARG A 42 20.849 -11.907 -13.989 1.00 24.25 C ATOM 649 NH1 ARG A 42 21.957 -11.206 -14.191 1.00 34.52 N ATOM 650 NH2 ARG A 42 20.426 -12.753 -14.919 1.00 54.11 N ATOM 0 H ARG A 42 17.951 -13.863 -8.261 1.00 24.30 H new ATOM 0 HA ARG A 42 18.727 -11.015 -8.216 1.00 2.41 H new ATOM 0 HB2 ARG A 42 20.064 -12.551 -9.858 1.00 41.55 H new ATOM 0 HB3 ARG A 42 18.568 -12.638 -10.766 1.00 41.55 H new ATOM 0 HG2 ARG A 42 18.570 -10.293 -11.214 1.00 71.02 H new ATOM 0 HG3 ARG A 42 19.782 -9.974 -9.989 1.00 71.02 H new ATOM 0 HD2 ARG A 42 20.808 -9.882 -12.205 1.00 74.42 H new ATOM 0 HD3 ARG A 42 21.465 -11.235 -11.305 1.00 74.42 H new ATOM 0 HE ARG A 42 19.319 -12.318 -12.733 1.00 61.44 H new ATOM 0 HH11 ARG A 42 22.286 -10.556 -13.477 1.00 34.52 H new ATOM 0 HH12 ARG A 42 22.480 -11.317 -15.060 1.00 34.52 H new ATOM 0 HH21 ARG A 42 19.575 -13.295 -14.767 1.00 54.11 H new ATOM 0 HH22 ARG A 42 20.951 -12.862 -15.787 1.00 54.11 H new ATOM 664 N LEU A 43 16.533 -10.347 -9.325 1.00 32.01 N ATOM 665 CA LEU A 43 15.160 -9.967 -9.641 1.00 62.31 C ATOM 666 C LEU A 43 14.989 -9.742 -11.140 1.00 1.31 C ATOM 667 O LEU A 43 15.805 -9.071 -11.773 1.00 55.24 O ATOM 668 CB LEU A 43 14.771 -8.701 -8.876 1.00 21.55 C ATOM 669 CG LEU A 43 14.663 -8.842 -7.357 1.00 22.13 C ATOM 670 CD1 LEU A 43 14.238 -7.525 -6.728 1.00 12.45 C ATOM 671 CD2 LEU A 43 13.686 -9.950 -6.992 1.00 14.32 C ATOM 0 H LEU A 43 17.191 -9.568 -9.300 1.00 32.01 H new ATOM 0 HA LEU A 43 14.504 -10.783 -9.337 1.00 62.31 H new ATOM 0 HB2 LEU A 43 15.505 -7.926 -9.098 1.00 21.55 H new ATOM 0 HB3 LEU A 43 13.812 -8.350 -9.257 1.00 21.55 H new ATOM 0 HG LEU A 43 15.645 -9.108 -6.965 1.00 22.13 H new ATOM 0 HD11 LEU A 43 14.166 -7.644 -5.647 1.00 12.45 H new ATOM 0 HD12 LEU A 43 14.975 -6.756 -6.960 1.00 12.45 H new ATOM 0 HD13 LEU A 43 13.267 -7.229 -7.125 1.00 12.45 H new ATOM 0 HD21 LEU A 43 13.622 -10.036 -5.907 1.00 14.32 H new ATOM 0 HD22 LEU A 43 12.701 -9.715 -7.396 1.00 14.32 H new ATOM 0 HD23 LEU A 43 14.034 -10.894 -7.411 1.00 14.32 H new ATOM 683 N ILE A 44 13.924 -10.304 -11.700 1.00 35.22 N ATOM 684 CA ILE A 44 13.644 -10.161 -13.123 1.00 61.32 C ATOM 685 C ILE A 44 12.177 -9.821 -13.364 1.00 62.41 C ATOM 686 O ILE A 44 11.290 -10.338 -12.685 1.00 14.53 O ATOM 687 CB ILE A 44 13.996 -11.445 -13.898 1.00 32.23 C ATOM 688 CG1 ILE A 44 15.400 -11.925 -13.523 1.00 13.51 C ATOM 689 CG2 ILE A 44 13.895 -11.204 -15.396 1.00 61.15 C ATOM 690 CD1 ILE A 44 15.806 -13.205 -14.217 1.00 64.34 C ATOM 0 H ILE A 44 13.240 -10.863 -11.190 1.00 35.22 H new ATOM 0 HA ILE A 44 14.268 -9.344 -13.486 1.00 61.32 H new ATOM 0 HB ILE A 44 13.282 -12.223 -13.626 1.00 32.23 H new ATOM 0 HG12 ILE A 44 16.120 -11.144 -13.768 1.00 13.51 H new ATOM 0 HG13 ILE A 44 15.448 -12.075 -12.444 1.00 13.51 H new ATOM 0 HG21 ILE A 44 14.147 -12.120 -15.930 1.00 61.15 H new ATOM 0 HG22 ILE A 44 12.878 -10.905 -15.649 1.00 61.15 H new ATOM 0 HG23 ILE A 44 14.588 -10.414 -15.685 1.00 61.15 H new ATOM 0 HD11 ILE A 44 16.812 -13.485 -13.904 1.00 64.34 H new ATOM 0 HD12 ILE A 44 15.109 -14.000 -13.952 1.00 64.34 H new ATOM 0 HD13 ILE A 44 15.791 -13.054 -15.296 1.00 64.34 H new ATOM 702 N PHE A 45 11.929 -8.951 -14.337 1.00 43.11 N ATOM 703 CA PHE A 45 10.569 -8.542 -14.669 1.00 64.31 C ATOM 704 C PHE A 45 10.353 -8.550 -16.179 1.00 74.05 C ATOM 705 O PHE A 45 10.855 -7.683 -16.894 1.00 14.23 O ATOM 706 CB PHE A 45 10.282 -7.148 -14.108 1.00 50.14 C ATOM 707 CG PHE A 45 8.820 -6.805 -14.075 1.00 20.14 C ATOM 708 CD1 PHE A 45 8.128 -6.549 -15.247 1.00 74.21 C ATOM 709 CD2 PHE A 45 8.138 -6.738 -12.870 1.00 63.11 C ATOM 710 CE1 PHE A 45 6.782 -6.234 -15.220 1.00 1.25 C ATOM 711 CE2 PHE A 45 6.793 -6.424 -12.836 1.00 51.34 C ATOM 712 CZ PHE A 45 6.114 -6.170 -14.012 1.00 43.14 C ATOM 0 H PHE A 45 12.652 -8.515 -14.910 1.00 43.11 H new ATOM 0 HA PHE A 45 9.880 -9.256 -14.217 1.00 64.31 H new ATOM 0 HB2 PHE A 45 10.686 -7.081 -13.098 1.00 50.14 H new ATOM 0 HB3 PHE A 45 10.807 -6.407 -14.711 1.00 50.14 H new ATOM 0 HD1 PHE A 45 8.646 -6.596 -16.193 1.00 74.21 H new ATOM 0 HD2 PHE A 45 8.664 -6.933 -11.947 1.00 63.11 H new ATOM 0 HE1 PHE A 45 6.254 -6.038 -16.141 1.00 1.25 H new ATOM 0 HE2 PHE A 45 6.273 -6.377 -11.891 1.00 51.34 H new ATOM 0 HZ PHE A 45 5.063 -5.922 -13.987 1.00 43.14 H new ATOM 722 N ALA A 46 9.602 -9.536 -16.658 1.00 74.43 N ATOM 723 CA ALA A 46 9.317 -9.657 -18.083 1.00 33.23 C ATOM 724 C ALA A 46 10.603 -9.664 -18.901 1.00 62.33 C ATOM 725 O ALA A 46 10.625 -9.211 -20.045 1.00 24.51 O ATOM 726 CB ALA A 46 8.406 -8.526 -18.537 1.00 3.24 C ATOM 0 H ALA A 46 9.180 -10.263 -16.080 1.00 74.43 H new ATOM 0 HA ALA A 46 8.808 -10.607 -18.247 1.00 33.23 H new ATOM 0 HB1 ALA A 46 8.202 -8.629 -19.603 1.00 3.24 H new ATOM 0 HB2 ALA A 46 7.469 -8.569 -17.982 1.00 3.24 H new ATOM 0 HB3 ALA A 46 8.894 -7.569 -18.352 1.00 3.24 H new ATOM 732 N GLY A 47 11.675 -10.181 -18.307 1.00 73.10 N ATOM 733 CA GLY A 47 12.951 -10.236 -18.996 1.00 33.30 C ATOM 734 C GLY A 47 13.801 -9.008 -18.741 1.00 2.24 C ATOM 735 O GLY A 47 14.747 -8.733 -19.480 1.00 31.24 O ATOM 0 H GLY A 47 11.682 -10.563 -17.361 1.00 73.10 H new ATOM 0 HA2 GLY A 47 13.496 -11.124 -18.675 1.00 33.30 H new ATOM 0 HA3 GLY A 47 12.778 -10.338 -20.067 1.00 33.30 H new ATOM 739 N LYS A 48 13.464 -8.265 -17.692 1.00 43.51 N ATOM 740 CA LYS A 48 14.203 -7.058 -17.340 1.00 52.42 C ATOM 741 C LYS A 48 15.039 -7.278 -16.084 1.00 22.42 C ATOM 742 O LYS A 48 14.515 -7.663 -15.039 1.00 1.52 O ATOM 743 CB LYS A 48 13.238 -5.889 -17.125 1.00 22.33 C ATOM 744 CG LYS A 48 12.372 -5.584 -18.335 1.00 23.23 C ATOM 745 CD LYS A 48 11.272 -4.593 -17.997 1.00 53.51 C ATOM 746 CE LYS A 48 10.719 -3.927 -19.248 1.00 13.42 C ATOM 747 NZ LYS A 48 10.021 -4.900 -20.132 1.00 74.32 N ATOM 0 H LYS A 48 12.684 -8.478 -17.071 1.00 43.51 H new ATOM 0 HA LYS A 48 14.875 -6.820 -18.165 1.00 52.42 H new ATOM 0 HB2 LYS A 48 12.594 -6.113 -16.275 1.00 22.33 H new ATOM 0 HB3 LYS A 48 13.811 -4.999 -16.865 1.00 22.33 H new ATOM 0 HG2 LYS A 48 12.993 -5.181 -19.136 1.00 23.23 H new ATOM 0 HG3 LYS A 48 11.929 -6.507 -18.709 1.00 23.23 H new ATOM 0 HD2 LYS A 48 10.467 -5.106 -17.471 1.00 53.51 H new ATOM 0 HD3 LYS A 48 11.661 -3.832 -17.320 1.00 53.51 H new ATOM 0 HE2 LYS A 48 10.027 -3.135 -18.962 1.00 13.42 H new ATOM 0 HE3 LYS A 48 11.533 -3.455 -19.798 1.00 13.42 H new ATOM 0 HZ1 LYS A 48 9.644 -4.404 -20.965 1.00 74.32 H new ATOM 0 HZ2 LYS A 48 10.692 -5.633 -20.440 1.00 74.32 H new ATOM 0 HZ3 LYS A 48 9.239 -5.344 -19.610 1.00 74.32 H new ATOM 761 N GLN A 49 16.341 -7.032 -16.194 1.00 14.21 N ATOM 762 CA GLN A 49 17.248 -7.203 -15.066 1.00 22.34 C ATOM 763 C GLN A 49 17.205 -5.990 -14.143 1.00 34.15 C ATOM 764 O GLN A 49 17.579 -4.884 -14.535 1.00 63.30 O ATOM 765 CB GLN A 49 18.677 -7.430 -15.563 1.00 11.50 C ATOM 766 CG GLN A 49 18.846 -8.709 -16.367 1.00 11.41 C ATOM 767 CD GLN A 49 20.148 -8.743 -17.142 1.00 41.23 C ATOM 768 OE1 GLN A 49 21.032 -7.912 -16.931 1.00 52.31 O ATOM 769 NE2 GLN A 49 20.274 -9.707 -18.046 1.00 71.25 N ATOM 0 H GLN A 49 16.791 -6.714 -17.053 1.00 14.21 H new ATOM 0 HA GLN A 49 16.924 -8.077 -14.502 1.00 22.34 H new ATOM 0 HB2 GLN A 49 18.978 -6.582 -16.178 1.00 11.50 H new ATOM 0 HB3 GLN A 49 19.351 -7.458 -14.706 1.00 11.50 H new ATOM 0 HG2 GLN A 49 18.806 -9.565 -15.693 1.00 11.41 H new ATOM 0 HG3 GLN A 49 18.012 -8.810 -17.061 1.00 11.41 H new ATOM 0 HE21 GLN A 49 19.516 -10.375 -18.188 1.00 71.25 H new ATOM 0 HE22 GLN A 49 21.129 -9.780 -18.598 1.00 71.25 H new ATOM 778 N LEU A 50 16.745 -6.204 -12.915 1.00 12.54 N ATOM 779 CA LEU A 50 16.652 -5.127 -11.935 1.00 13.14 C ATOM 780 C LEU A 50 17.878 -5.109 -11.027 1.00 53.03 C ATOM 781 O LEU A 50 18.220 -6.118 -10.411 1.00 50.34 O ATOM 782 CB LEU A 50 15.383 -5.284 -11.094 1.00 43.01 C ATOM 783 CG LEU A 50 14.085 -5.498 -11.872 1.00 54.44 C ATOM 784 CD1 LEU A 50 13.809 -6.982 -12.053 1.00 75.11 C ATOM 785 CD2 LEU A 50 12.921 -4.819 -11.165 1.00 31.15 C ATOM 0 H LEU A 50 16.431 -7.113 -12.574 1.00 12.54 H new ATOM 0 HA LEU A 50 16.608 -4.181 -12.475 1.00 13.14 H new ATOM 0 HB2 LEU A 50 15.521 -6.128 -10.418 1.00 43.01 H new ATOM 0 HB3 LEU A 50 15.269 -4.394 -10.474 1.00 43.01 H new ATOM 0 HG LEU A 50 14.197 -5.048 -12.858 1.00 54.44 H new ATOM 0 HD11 LEU A 50 12.881 -7.114 -12.609 1.00 75.11 H new ATOM 0 HD12 LEU A 50 14.630 -7.440 -12.604 1.00 75.11 H new ATOM 0 HD13 LEU A 50 13.718 -7.457 -11.076 1.00 75.11 H new ATOM 0 HD21 LEU A 50 12.005 -4.982 -11.733 1.00 31.15 H new ATOM 0 HD22 LEU A 50 12.807 -5.239 -10.166 1.00 31.15 H new ATOM 0 HD23 LEU A 50 13.115 -3.749 -11.089 1.00 31.15 H new ATOM 797 N GLU A 51 18.533 -3.955 -10.949 1.00 51.10 N ATOM 798 CA GLU A 51 19.720 -3.806 -10.115 1.00 70.33 C ATOM 799 C GLU A 51 19.379 -3.105 -8.803 1.00 61.44 C ATOM 800 O GLU A 51 18.281 -2.573 -8.639 1.00 4.23 O ATOM 801 CB GLU A 51 20.799 -3.019 -10.861 1.00 41.15 C ATOM 802 CG GLU A 51 21.242 -3.673 -12.159 1.00 71.05 C ATOM 803 CD GLU A 51 22.286 -4.751 -11.943 1.00 31.32 C ATOM 804 OE1 GLU A 51 21.932 -5.946 -12.034 1.00 41.42 O ATOM 805 OE2 GLU A 51 23.456 -4.401 -11.682 1.00 33.42 O ATOM 0 H GLU A 51 18.262 -3.110 -11.453 1.00 51.10 H new ATOM 0 HA GLU A 51 20.099 -4.802 -9.887 1.00 70.33 H new ATOM 0 HB2 GLU A 51 20.423 -2.019 -11.078 1.00 41.15 H new ATOM 0 HB3 GLU A 51 21.665 -2.900 -10.210 1.00 41.15 H new ATOM 0 HG2 GLU A 51 20.375 -4.107 -12.657 1.00 71.05 H new ATOM 0 HG3 GLU A 51 21.645 -2.911 -12.826 1.00 71.05 H new ATOM 812 N ASP A 52 20.327 -3.111 -7.873 1.00 44.41 N ATOM 813 CA ASP A 52 20.129 -2.475 -6.575 1.00 61.45 C ATOM 814 C ASP A 52 19.764 -1.003 -6.741 1.00 60.51 C ATOM 815 O ASP A 52 19.135 -0.408 -5.867 1.00 55.31 O ATOM 816 CB ASP A 52 21.391 -2.608 -5.721 1.00 14.32 C ATOM 817 CG ASP A 52 22.454 -1.594 -6.097 1.00 73.50 C ATOM 818 OD1 ASP A 52 22.698 -0.666 -5.298 1.00 52.33 O ATOM 819 OD2 ASP A 52 23.042 -1.731 -7.190 1.00 3.32 O ATOM 0 H ASP A 52 21.240 -3.549 -7.993 1.00 44.41 H new ATOM 0 HA ASP A 52 19.304 -2.980 -6.072 1.00 61.45 H new ATOM 0 HB2 ASP A 52 21.130 -2.484 -4.670 1.00 14.32 H new ATOM 0 HB3 ASP A 52 21.797 -3.614 -5.832 1.00 14.32 H new ATOM 824 N SER A 53 20.165 -0.423 -7.868 1.00 15.23 N ATOM 825 CA SER A 53 19.884 0.981 -8.146 1.00 31.21 C ATOM 826 C SER A 53 18.477 1.152 -8.710 1.00 14.13 C ATOM 827 O SER A 53 17.895 2.235 -8.641 1.00 34.12 O ATOM 828 CB SER A 53 20.912 1.543 -9.130 1.00 13.01 C ATOM 829 OG SER A 53 20.532 2.831 -9.583 1.00 4.00 O ATOM 0 H SER A 53 20.685 -0.903 -8.603 1.00 15.23 H new ATOM 0 HA SER A 53 19.950 1.532 -7.208 1.00 31.21 H new ATOM 0 HB2 SER A 53 21.889 1.596 -8.649 1.00 13.01 H new ATOM 0 HB3 SER A 53 21.012 0.869 -9.981 1.00 13.01 H new ATOM 0 HG SER A 53 21.206 3.169 -10.209 1.00 4.00 H new ATOM 835 N LYS A 54 17.935 0.075 -9.268 1.00 53.00 N ATOM 836 CA LYS A 54 16.595 0.103 -9.844 1.00 23.25 C ATOM 837 C LYS A 54 15.533 -0.015 -8.755 1.00 50.33 C ATOM 838 O LYS A 54 15.778 -0.588 -7.693 1.00 14.31 O ATOM 839 CB LYS A 54 16.430 -1.032 -10.857 1.00 51.22 C ATOM 840 CG LYS A 54 17.313 -0.884 -12.084 1.00 74.54 C ATOM 841 CD LYS A 54 17.047 0.425 -12.809 1.00 33.43 C ATOM 842 CE LYS A 54 17.684 0.437 -14.190 1.00 22.13 C ATOM 843 NZ LYS A 54 19.123 0.815 -14.133 1.00 3.22 N ATOM 0 H LYS A 54 18.403 -0.829 -9.334 1.00 53.00 H new ATOM 0 HA LYS A 54 16.464 1.058 -10.353 1.00 23.25 H new ATOM 0 HB2 LYS A 54 16.657 -1.980 -10.369 1.00 51.22 H new ATOM 0 HB3 LYS A 54 15.388 -1.077 -11.173 1.00 51.22 H new ATOM 0 HG2 LYS A 54 18.361 -0.930 -11.787 1.00 74.54 H new ATOM 0 HG3 LYS A 54 17.137 -1.719 -12.762 1.00 74.54 H new ATOM 0 HD2 LYS A 54 15.972 0.579 -12.902 1.00 33.43 H new ATOM 0 HD3 LYS A 54 17.438 1.254 -12.220 1.00 33.43 H new ATOM 0 HE2 LYS A 54 17.585 -0.549 -14.644 1.00 22.13 H new ATOM 0 HE3 LYS A 54 17.149 1.138 -14.831 1.00 22.13 H new ATOM 0 HZ1 LYS A 54 19.521 0.812 -15.094 1.00 3.22 H new ATOM 0 HZ2 LYS A 54 19.216 1.766 -13.723 1.00 3.22 H new ATOM 0 HZ3 LYS A 54 19.638 0.131 -13.542 1.00 3.22 H new ATOM 857 N THR A 55 14.351 0.530 -9.027 1.00 1.32 N ATOM 858 CA THR A 55 13.252 0.486 -8.071 1.00 55.33 C ATOM 859 C THR A 55 11.911 0.334 -8.782 1.00 5.31 C ATOM 860 O THR A 55 11.832 0.438 -10.006 1.00 21.44 O ATOM 861 CB THR A 55 13.215 1.754 -7.197 1.00 45.25 C ATOM 862 OG1 THR A 55 13.476 2.911 -8.001 1.00 20.51 O ATOM 863 CG2 THR A 55 14.240 1.668 -6.076 1.00 41.13 C ATOM 0 H THR A 55 14.131 1.007 -9.901 1.00 1.32 H new ATOM 0 HA THR A 55 13.423 -0.381 -7.433 1.00 55.33 H new ATOM 0 HB THR A 55 12.222 1.835 -6.755 1.00 45.25 H new ATOM 0 HG1 THR A 55 13.449 3.713 -7.439 1.00 20.51 H new ATOM 0 HG21 THR A 55 14.196 2.574 -5.472 1.00 41.13 H new ATOM 0 HG22 THR A 55 14.022 0.803 -5.449 1.00 41.13 H new ATOM 0 HG23 THR A 55 15.238 1.565 -6.502 1.00 41.13 H new ATOM 871 N MET A 56 10.860 0.089 -8.007 1.00 3.24 N ATOM 872 CA MET A 56 9.522 -0.075 -8.563 1.00 44.11 C ATOM 873 C MET A 56 9.156 1.107 -9.455 1.00 13.33 C ATOM 874 O MET A 56 8.662 0.928 -10.568 1.00 23.44 O ATOM 875 CB MET A 56 8.494 -0.220 -7.440 1.00 12.10 C ATOM 876 CG MET A 56 8.661 -1.491 -6.623 1.00 42.10 C ATOM 877 SD MET A 56 8.427 -2.984 -7.606 1.00 33.21 S ATOM 878 CE MET A 56 9.760 -4.009 -6.989 1.00 0.45 C ATOM 0 H MET A 56 10.909 -0.000 -6.992 1.00 3.24 H new ATOM 0 HA MET A 56 9.516 -0.981 -9.170 1.00 44.11 H new ATOM 0 HB2 MET A 56 8.569 0.641 -6.776 1.00 12.10 H new ATOM 0 HB3 MET A 56 7.493 -0.204 -7.871 1.00 12.10 H new ATOM 0 HG2 MET A 56 9.657 -1.505 -6.179 1.00 42.10 H new ATOM 0 HG3 MET A 56 7.946 -1.486 -5.801 1.00 42.10 H new ATOM 0 HE1 MET A 56 9.526 -5.058 -7.169 1.00 0.45 H new ATOM 0 HE2 MET A 56 10.686 -3.750 -7.503 1.00 0.45 H new ATOM 0 HE3 MET A 56 9.881 -3.843 -5.918 1.00 0.45 H new ATOM 888 N ALA A 57 9.400 2.315 -8.958 1.00 11.51 N ATOM 889 CA ALA A 57 9.097 3.526 -9.711 1.00 12.44 C ATOM 890 C ALA A 57 9.874 3.567 -11.022 1.00 23.13 C ATOM 891 O ALA A 57 9.362 4.022 -12.044 1.00 71.05 O ATOM 892 CB ALA A 57 9.405 4.759 -8.874 1.00 2.14 C ATOM 0 H ALA A 57 9.807 2.481 -8.037 1.00 11.51 H new ATOM 0 HA ALA A 57 8.034 3.519 -9.950 1.00 12.44 H new ATOM 0 HB1 ALA A 57 9.174 5.656 -9.449 1.00 2.14 H new ATOM 0 HB2 ALA A 57 8.800 4.743 -7.967 1.00 2.14 H new ATOM 0 HB3 ALA A 57 10.461 4.762 -8.606 1.00 2.14 H new ATOM 898 N ASP A 58 11.113 3.089 -10.984 1.00 43.23 N ATOM 899 CA ASP A 58 11.962 3.071 -12.170 1.00 73.43 C ATOM 900 C ASP A 58 11.325 2.240 -13.281 1.00 4.34 C ATOM 901 O ASP A 58 11.264 2.669 -14.433 1.00 41.51 O ATOM 902 CB ASP A 58 13.343 2.512 -11.826 1.00 63.34 C ATOM 903 CG ASP A 58 14.041 3.315 -10.747 1.00 14.55 C ATOM 904 OD1 ASP A 58 13.467 4.330 -10.298 1.00 11.31 O ATOM 905 OD2 ASP A 58 15.160 2.929 -10.349 1.00 54.33 O ATOM 0 H ASP A 58 11.552 2.709 -10.145 1.00 43.23 H new ATOM 0 HA ASP A 58 12.072 4.096 -12.524 1.00 73.43 H new ATOM 0 HB2 ASP A 58 13.241 1.478 -11.497 1.00 63.34 H new ATOM 0 HB3 ASP A 58 13.961 2.501 -12.724 1.00 63.34 H new ATOM 910 N TYR A 59 10.854 1.050 -12.926 1.00 43.12 N ATOM 911 CA TYR A 59 10.226 0.158 -13.893 1.00 71.12 C ATOM 912 C TYR A 59 8.735 0.455 -14.020 1.00 32.03 C ATOM 913 O TYR A 59 8.003 -0.264 -14.698 1.00 72.13 O ATOM 914 CB TYR A 59 10.434 -1.301 -13.483 1.00 14.12 C ATOM 915 CG TYR A 59 11.780 -1.858 -13.888 1.00 34.11 C ATOM 916 CD1 TYR A 59 12.805 -1.995 -12.960 1.00 15.24 C ATOM 917 CD2 TYR A 59 12.027 -2.247 -15.199 1.00 11.25 C ATOM 918 CE1 TYR A 59 14.036 -2.503 -13.325 1.00 42.40 C ATOM 919 CE2 TYR A 59 13.255 -2.757 -15.573 1.00 31.14 C ATOM 920 CZ TYR A 59 14.256 -2.883 -14.632 1.00 43.25 C ATOM 921 OH TYR A 59 15.481 -3.389 -15.001 1.00 64.35 O ATOM 0 H TYR A 59 10.895 0.681 -11.976 1.00 43.12 H new ATOM 0 HA TYR A 59 10.695 0.326 -14.862 1.00 71.12 H new ATOM 0 HB2 TYR A 59 10.326 -1.385 -12.402 1.00 14.12 H new ATOM 0 HB3 TYR A 59 9.649 -1.911 -13.930 1.00 14.12 H new ATOM 0 HD1 TYR A 59 12.636 -1.699 -11.935 1.00 15.24 H new ATOM 0 HD2 TYR A 59 11.246 -2.149 -15.938 1.00 11.25 H new ATOM 0 HE1 TYR A 59 14.822 -2.602 -12.591 1.00 42.40 H new ATOM 0 HE2 TYR A 59 13.431 -3.055 -16.596 1.00 31.14 H new ATOM 0 HH TYR A 59 15.874 -3.877 -14.247 1.00 64.35 H new ATOM 931 N ASN A 60 8.293 1.521 -13.361 1.00 14.13 N ATOM 932 CA ASN A 60 6.889 1.915 -13.399 1.00 11.05 C ATOM 933 C ASN A 60 5.984 0.738 -13.049 1.00 32.41 C ATOM 934 O ASN A 60 4.874 0.620 -13.568 1.00 73.55 O ATOM 935 CB ASN A 60 6.527 2.458 -14.783 1.00 30.44 C ATOM 936 CG ASN A 60 6.950 3.902 -14.966 1.00 41.21 C ATOM 937 OD1 ASN A 60 7.749 4.430 -14.192 1.00 64.43 O ATOM 938 ND2 ASN A 60 6.414 4.550 -15.994 1.00 70.41 N ATOM 0 H ASN A 60 8.886 2.127 -12.794 1.00 14.13 H new ATOM 0 HA ASN A 60 6.738 2.700 -12.658 1.00 11.05 H new ATOM 0 HB2 ASN A 60 7.003 1.843 -15.547 1.00 30.44 H new ATOM 0 HB3 ASN A 60 5.450 2.376 -14.932 1.00 30.44 H new ATOM 0 HD21 ASN A 60 6.661 5.524 -16.167 1.00 70.41 H new ATOM 0 HD22 ASN A 60 5.756 4.073 -16.610 1.00 70.41 H new ATOM 945 N ILE A 61 6.466 -0.130 -12.165 1.00 52.05 N ATOM 946 CA ILE A 61 5.700 -1.297 -11.745 1.00 52.23 C ATOM 947 C ILE A 61 5.214 -1.147 -10.308 1.00 15.31 C ATOM 948 O ILE A 61 6.013 -1.108 -9.373 1.00 42.53 O ATOM 949 CB ILE A 61 6.531 -2.588 -11.862 1.00 3.11 C ATOM 950 CG1 ILE A 61 7.935 -2.369 -11.294 1.00 62.32 C ATOM 951 CG2 ILE A 61 6.605 -3.041 -13.312 1.00 62.14 C ATOM 952 CD1 ILE A 61 8.807 -3.604 -11.346 1.00 31.51 C ATOM 0 H ILE A 61 7.383 -0.047 -11.726 1.00 52.05 H new ATOM 0 HA ILE A 61 4.840 -1.367 -12.411 1.00 52.23 H new ATOM 0 HB ILE A 61 6.043 -3.371 -11.282 1.00 3.11 H new ATOM 0 HG12 ILE A 61 8.422 -1.567 -11.849 1.00 62.32 H new ATOM 0 HG13 ILE A 61 7.852 -2.036 -10.259 1.00 62.32 H new ATOM 0 HG21 ILE A 61 7.196 -3.955 -13.378 1.00 62.14 H new ATOM 0 HG22 ILE A 61 5.599 -3.232 -13.685 1.00 62.14 H new ATOM 0 HG23 ILE A 61 7.074 -2.262 -13.913 1.00 62.14 H new ATOM 0 HD11 ILE A 61 9.787 -3.375 -10.927 1.00 31.51 H new ATOM 0 HD12 ILE A 61 8.342 -4.402 -10.767 1.00 31.51 H new ATOM 0 HD13 ILE A 61 8.921 -3.926 -12.381 1.00 31.51 H new ATOM 964 N GLN A 62 3.898 -1.065 -10.140 1.00 13.14 N ATOM 965 CA GLN A 62 3.305 -0.920 -8.815 1.00 71.43 C ATOM 966 C GLN A 62 1.857 -1.398 -8.812 1.00 34.50 C ATOM 967 O GLN A 62 1.345 -1.871 -9.827 1.00 41.13 O ATOM 968 CB GLN A 62 3.374 0.538 -8.359 1.00 21.13 C ATOM 969 CG GLN A 62 4.524 0.823 -7.406 1.00 42.35 C ATOM 970 CD GLN A 62 4.519 -0.089 -6.196 1.00 3.45 C ATOM 971 OE1 GLN A 62 5.258 -1.073 -6.142 1.00 12.51 O ATOM 972 NE2 GLN A 62 3.685 0.234 -5.214 1.00 54.05 N ATOM 0 H GLN A 62 3.223 -1.096 -10.904 1.00 13.14 H new ATOM 0 HA GLN A 62 3.874 -1.538 -8.120 1.00 71.43 H new ATOM 0 HB2 GLN A 62 3.471 1.180 -9.235 1.00 21.13 H new ATOM 0 HB3 GLN A 62 2.435 0.803 -7.872 1.00 21.13 H new ATOM 0 HG2 GLN A 62 5.468 0.709 -7.938 1.00 42.35 H new ATOM 0 HG3 GLN A 62 4.468 1.860 -7.075 1.00 42.35 H new ATOM 0 HE21 GLN A 62 3.090 1.058 -5.300 1.00 54.05 H new ATOM 0 HE22 GLN A 62 3.639 -0.342 -4.374 1.00 54.05 H new ATOM 981 N LYS A 63 1.200 -1.273 -7.664 1.00 21.14 N ATOM 982 CA LYS A 63 -0.190 -1.691 -7.527 1.00 31.10 C ATOM 983 C LYS A 63 -0.337 -3.187 -7.788 1.00 4.22 C ATOM 984 O LYS A 63 -0.857 -3.597 -8.825 1.00 2.40 O ATOM 985 CB LYS A 63 -1.078 -0.905 -8.494 1.00 11.41 C ATOM 986 CG LYS A 63 -1.711 0.328 -7.872 1.00 42.44 C ATOM 987 CD LYS A 63 -2.854 0.858 -8.723 1.00 25.52 C ATOM 988 CE LYS A 63 -2.346 1.467 -10.021 1.00 14.33 C ATOM 989 NZ LYS A 63 -3.425 1.575 -11.041 1.00 53.35 N ATOM 0 H LYS A 63 1.609 -0.885 -6.814 1.00 21.14 H new ATOM 0 HA LYS A 63 -0.506 -1.486 -6.504 1.00 31.10 H new ATOM 0 HB2 LYS A 63 -0.483 -0.602 -9.356 1.00 11.41 H new ATOM 0 HB3 LYS A 63 -1.866 -1.560 -8.865 1.00 11.41 H new ATOM 0 HG2 LYS A 63 -2.080 0.085 -6.876 1.00 42.44 H new ATOM 0 HG3 LYS A 63 -0.956 1.104 -7.751 1.00 42.44 H new ATOM 0 HD2 LYS A 63 -3.548 0.048 -8.947 1.00 25.52 H new ATOM 0 HD3 LYS A 63 -3.410 1.608 -8.161 1.00 25.52 H new ATOM 0 HE2 LYS A 63 -1.934 2.456 -9.822 1.00 14.33 H new ATOM 0 HE3 LYS A 63 -1.533 0.857 -10.415 1.00 14.33 H new ATOM 0 HZ1 LYS A 63 -3.039 1.994 -11.911 1.00 53.35 H new ATOM 0 HZ2 LYS A 63 -3.801 0.628 -11.250 1.00 53.35 H new ATOM 0 HZ3 LYS A 63 -4.189 2.178 -10.675 1.00 53.35 H new ATOM 1003 N GLU A 64 0.124 -3.996 -6.839 1.00 61.44 N ATOM 1004 CA GLU A 64 0.043 -5.447 -6.968 1.00 51.31 C ATOM 1005 C GLU A 64 0.861 -5.934 -8.160 1.00 43.24 C ATOM 1006 O GLU A 64 0.602 -7.005 -8.709 1.00 2.13 O ATOM 1007 CB GLU A 64 -1.415 -5.886 -7.122 1.00 64.42 C ATOM 1008 CG GLU A 64 -2.338 -5.318 -6.057 1.00 64.14 C ATOM 1009 CD GLU A 64 -3.075 -6.397 -5.289 1.00 33.04 C ATOM 1010 OE1 GLU A 64 -3.019 -6.380 -4.041 1.00 44.30 O ATOM 1011 OE2 GLU A 64 -3.709 -7.258 -5.934 1.00 23.34 O ATOM 0 H GLU A 64 0.557 -3.672 -5.974 1.00 61.44 H new ATOM 0 HA GLU A 64 0.455 -5.891 -6.062 1.00 51.31 H new ATOM 0 HB2 GLU A 64 -1.776 -5.580 -8.104 1.00 64.42 H new ATOM 0 HB3 GLU A 64 -1.463 -6.974 -7.089 1.00 64.42 H new ATOM 0 HG2 GLU A 64 -1.755 -4.715 -5.361 1.00 64.14 H new ATOM 0 HG3 GLU A 64 -3.062 -4.652 -6.527 1.00 64.14 H new ATOM 1018 N SER A 65 1.850 -5.139 -8.556 1.00 41.44 N ATOM 1019 CA SER A 65 2.704 -5.486 -9.686 1.00 43.41 C ATOM 1020 C SER A 65 3.250 -6.903 -9.539 1.00 41.33 C ATOM 1021 O SER A 65 3.760 -7.279 -8.483 1.00 52.21 O ATOM 1022 CB SER A 65 3.861 -4.491 -9.803 1.00 11.04 C ATOM 1023 OG SER A 65 3.719 -3.677 -10.954 1.00 4.11 O ATOM 0 H SER A 65 2.080 -4.250 -8.111 1.00 41.44 H new ATOM 0 HA SER A 65 2.101 -5.440 -10.593 1.00 43.41 H new ATOM 0 HB2 SER A 65 3.897 -3.864 -8.912 1.00 11.04 H new ATOM 0 HB3 SER A 65 4.806 -5.032 -9.850 1.00 11.04 H new ATOM 0 HG SER A 65 4.024 -4.171 -11.744 1.00 4.11 H new ATOM 1029 N THR A 66 3.140 -7.686 -10.608 1.00 33.44 N ATOM 1030 CA THR A 66 3.620 -9.062 -10.599 1.00 62.31 C ATOM 1031 C THR A 66 5.091 -9.133 -10.991 1.00 65.34 C ATOM 1032 O THR A 66 5.449 -8.895 -12.146 1.00 1.53 O ATOM 1033 CB THR A 66 2.802 -9.949 -11.557 1.00 31.04 C ATOM 1034 OG1 THR A 66 1.404 -9.812 -11.277 1.00 42.12 O ATOM 1035 CG2 THR A 66 3.210 -11.409 -11.424 1.00 51.52 C ATOM 0 H THR A 66 2.723 -7.390 -11.491 1.00 33.44 H new ATOM 0 HA THR A 66 3.499 -9.432 -9.581 1.00 62.31 H new ATOM 0 HB THR A 66 3.002 -9.624 -12.578 1.00 31.04 H new ATOM 0 HG1 THR A 66 0.890 -10.377 -11.891 1.00 42.12 H new ATOM 0 HG21 THR A 66 2.619 -12.016 -12.110 1.00 51.52 H new ATOM 0 HG22 THR A 66 4.268 -11.515 -11.665 1.00 51.52 H new ATOM 0 HG23 THR A 66 3.036 -11.744 -10.401 1.00 51.52 H new ATOM 1043 N LEU A 67 5.941 -9.463 -10.025 1.00 62.52 N ATOM 1044 CA LEU A 67 7.376 -9.567 -10.270 1.00 54.01 C ATOM 1045 C LEU A 67 7.808 -11.027 -10.364 1.00 40.34 C ATOM 1046 O LEU A 67 7.088 -11.928 -9.932 1.00 4.52 O ATOM 1047 CB LEU A 67 8.155 -8.863 -9.158 1.00 31.12 C ATOM 1048 CG LEU A 67 9.541 -8.341 -9.537 1.00 2.24 C ATOM 1049 CD1 LEU A 67 9.811 -7.005 -8.861 1.00 62.14 C ATOM 1050 CD2 LEU A 67 10.613 -9.355 -9.165 1.00 2.23 C ATOM 0 H LEU A 67 5.662 -9.663 -9.065 1.00 62.52 H new ATOM 0 HA LEU A 67 7.594 -9.081 -11.221 1.00 54.01 H new ATOM 0 HB2 LEU A 67 7.559 -8.024 -8.799 1.00 31.12 H new ATOM 0 HB3 LEU A 67 8.265 -9.556 -8.324 1.00 31.12 H new ATOM 0 HG LEU A 67 9.569 -8.192 -10.616 1.00 2.24 H new ATOM 0 HD11 LEU A 67 10.802 -6.649 -9.142 1.00 62.14 H new ATOM 0 HD12 LEU A 67 9.061 -6.279 -9.177 1.00 62.14 H new ATOM 0 HD13 LEU A 67 9.763 -7.128 -7.779 1.00 62.14 H new ATOM 0 HD21 LEU A 67 11.593 -8.967 -9.442 1.00 2.23 H new ATOM 0 HD22 LEU A 67 10.585 -9.536 -8.091 1.00 2.23 H new ATOM 0 HD23 LEU A 67 10.430 -10.289 -9.696 1.00 2.23 H new ATOM 1062 N HIS A 68 8.989 -11.253 -10.931 1.00 21.32 N ATOM 1063 CA HIS A 68 9.519 -12.604 -11.079 1.00 62.01 C ATOM 1064 C HIS A 68 10.888 -12.726 -10.417 1.00 21.23 C ATOM 1065 O HIS A 68 11.817 -11.991 -10.750 1.00 62.31 O ATOM 1066 CB HIS A 68 9.621 -12.975 -12.559 1.00 32.11 C ATOM 1067 CG HIS A 68 8.356 -13.547 -13.121 1.00 61.51 C ATOM 1068 ND1 HIS A 68 8.339 -14.519 -14.100 1.00 5.41 N ATOM 1069 CD2 HIS A 68 7.060 -13.281 -12.835 1.00 61.41 C ATOM 1070 CE1 HIS A 68 7.088 -14.824 -14.393 1.00 0.20 C ATOM 1071 NE2 HIS A 68 6.292 -14.087 -13.639 1.00 30.41 N ATOM 0 H HIS A 68 9.597 -10.519 -11.295 1.00 21.32 H new ATOM 0 HA HIS A 68 8.833 -13.293 -10.585 1.00 62.01 H new ATOM 0 HB2 HIS A 68 9.894 -12.087 -13.130 1.00 32.11 H new ATOM 0 HB3 HIS A 68 10.426 -13.698 -12.689 1.00 32.11 H new ATOM 0 HD2 HIS A 68 6.697 -12.568 -12.110 1.00 61.41 H new ATOM 0 HE1 HIS A 68 6.770 -15.552 -15.125 1.00 0.20 H new ATOM 0 HE2 HIS A 68 5.272 -14.112 -13.652 1.00 30.41 H new ATOM 1079 N MET A 69 11.004 -13.659 -9.477 1.00 2.53 N ATOM 1080 CA MET A 69 12.260 -13.877 -8.768 1.00 40.51 C ATOM 1081 C MET A 69 12.897 -15.199 -9.185 1.00 12.44 C ATOM 1082 O MET A 69 12.201 -16.182 -9.436 1.00 32.53 O ATOM 1083 CB MET A 69 12.026 -13.864 -7.256 1.00 42.43 C ATOM 1084 CG MET A 69 11.219 -15.050 -6.756 1.00 72.40 C ATOM 1085 SD MET A 69 11.199 -15.168 -4.957 1.00 13.01 S ATOM 1086 CE MET A 69 12.145 -16.668 -4.705 1.00 50.21 C ATOM 0 H MET A 69 10.244 -14.276 -9.189 1.00 2.53 H new ATOM 0 HA MET A 69 12.941 -13.067 -9.029 1.00 40.51 H new ATOM 0 HB2 MET A 69 12.990 -13.851 -6.748 1.00 42.43 H new ATOM 0 HB3 MET A 69 11.510 -12.943 -6.984 1.00 42.43 H new ATOM 0 HG2 MET A 69 10.196 -14.968 -7.122 1.00 72.40 H new ATOM 0 HG3 MET A 69 11.634 -15.968 -7.172 1.00 72.40 H new ATOM 0 HE1 MET A 69 12.206 -16.885 -3.639 1.00 50.21 H new ATOM 0 HE2 MET A 69 11.656 -17.497 -5.217 1.00 50.21 H new ATOM 0 HE3 MET A 69 13.150 -16.536 -5.106 1.00 50.21 H new ATOM 1096 N VAL A 70 14.224 -15.215 -9.256 1.00 41.52 N ATOM 1097 CA VAL A 70 14.955 -16.416 -9.642 1.00 34.14 C ATOM 1098 C VAL A 70 16.004 -16.780 -8.597 1.00 34.10 C ATOM 1099 O VAL A 70 16.804 -15.939 -8.186 1.00 21.14 O ATOM 1100 CB VAL A 70 15.645 -16.239 -11.007 1.00 22.41 C ATOM 1101 CG1 VAL A 70 14.625 -16.299 -12.133 1.00 71.44 C ATOM 1102 CG2 VAL A 70 16.419 -14.930 -11.047 1.00 21.34 C ATOM 0 H VAL A 70 14.815 -14.409 -9.051 1.00 41.52 H new ATOM 0 HA VAL A 70 14.224 -17.222 -9.715 1.00 34.14 H new ATOM 0 HB VAL A 70 16.352 -17.057 -11.146 1.00 22.41 H new ATOM 0 HG11 VAL A 70 15.131 -16.172 -13.090 1.00 71.44 H new ATOM 0 HG12 VAL A 70 14.120 -17.265 -12.115 1.00 71.44 H new ATOM 0 HG13 VAL A 70 13.892 -15.503 -12.002 1.00 71.44 H new ATOM 0 HG21 VAL A 70 16.900 -14.821 -12.019 1.00 21.34 H new ATOM 0 HG22 VAL A 70 15.734 -14.097 -10.886 1.00 21.34 H new ATOM 0 HG23 VAL A 70 17.178 -14.932 -10.265 1.00 21.34 H new ATOM 1112 N LEU A 71 15.995 -18.039 -8.172 1.00 12.54 N ATOM 1113 CA LEU A 71 16.947 -18.516 -7.174 1.00 54.33 C ATOM 1114 C LEU A 71 17.816 -19.633 -7.742 1.00 34.42 C ATOM 1115 O LEU A 71 17.347 -20.461 -8.523 1.00 61.42 O ATOM 1116 CB LEU A 71 16.207 -19.011 -5.930 1.00 53.04 C ATOM 1117 CG LEU A 71 15.078 -20.013 -6.175 1.00 54.55 C ATOM 1118 CD1 LEU A 71 15.629 -21.427 -6.265 1.00 32.15 C ATOM 1119 CD2 LEU A 71 14.030 -19.915 -5.076 1.00 51.41 C ATOM 0 H LEU A 71 15.340 -18.747 -8.502 1.00 12.54 H new ATOM 0 HA LEU A 71 17.593 -17.683 -6.896 1.00 54.33 H new ATOM 0 HB2 LEU A 71 16.933 -19.469 -5.258 1.00 53.04 H new ATOM 0 HB3 LEU A 71 15.793 -18.147 -5.410 1.00 53.04 H new ATOM 0 HG LEU A 71 14.602 -19.770 -7.125 1.00 54.55 H new ATOM 0 HD11 LEU A 71 14.811 -22.126 -6.440 1.00 32.15 H new ATOM 0 HD12 LEU A 71 16.341 -21.488 -7.088 1.00 32.15 H new ATOM 0 HD13 LEU A 71 16.131 -21.682 -5.332 1.00 32.15 H new ATOM 0 HD21 LEU A 71 13.234 -20.635 -5.267 1.00 51.41 H new ATOM 0 HD22 LEU A 71 14.492 -20.131 -4.113 1.00 51.41 H new ATOM 0 HD23 LEU A 71 13.612 -18.908 -5.060 1.00 51.41 H new