USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 54 LYS NZ :NH3+ 153:sc= 0.209 (180deg=0.0409) USER MOD Set 1.2: A 59 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -59:sc= -3.69! USER MOD Set 2.2: A 56 MET CE :methyl 180:sc= -7.08! (180deg=-7.02!) USER MOD Set 3.1: A 7 THR OG1 : rot 121:sc= 0.201 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.188 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 143:sc= 0.558 (180deg=-0.44) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.515 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.00509 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0164) USER MOD Single : A 14 THR OG1 : rot 28:sc= 0.166 USER MOD Single : A 17 THR OG1 : rot 150:sc= -2.91 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0285 (180deg=-0.0747) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.875 X(o=-0.87,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 53 SER OG : rot -4:sc= 0.0691 USER MOD Single : A 55 THR OG1 : rot -59:sc= 0.35 USER MOD Single : A 60 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.093) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.152 F(o=-0.69,f=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.487 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.031 F(o=-0.6,f=-0.031) USER MOD Single : A 69 MET CE :methyl -124:sc= -0.807 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.977 0.036 0.684 1.00 74.04 N ATOM 2 CA MET A 1 3.277 -0.633 -0.407 1.00 35.45 C ATOM 3 C MET A 1 3.819 -2.044 -0.616 1.00 15.21 C ATOM 4 O MET A 1 5.026 -2.270 -0.548 1.00 43.21 O ATOM 5 CB MET A 1 3.410 0.174 -1.699 1.00 44.10 C ATOM 6 CG MET A 1 2.314 -0.114 -2.712 1.00 23.00 C ATOM 7 SD MET A 1 0.727 0.599 -2.240 1.00 1.44 S ATOM 8 CE MET A 1 0.758 2.134 -3.162 1.00 53.23 C ATOM 0 H1 MET A 1 3.325 0.172 1.483 1.00 74.04 H new ATOM 0 H2 MET A 1 4.782 -0.547 0.989 1.00 74.04 H new ATOM 0 H3 MET A 1 4.324 0.961 0.359 1.00 74.04 H new ATOM 0 HA MET A 1 2.223 -0.704 -0.139 1.00 35.45 H new ATOM 0 HB2 MET A 1 3.399 1.237 -1.457 1.00 44.10 H new ATOM 0 HB3 MET A 1 4.378 -0.039 -2.153 1.00 44.10 H new ATOM 0 HG2 MET A 1 2.610 0.280 -3.684 1.00 23.00 H new ATOM 0 HG3 MET A 1 2.204 -1.192 -2.826 1.00 23.00 H new ATOM 0 HE1 MET A 1 -0.160 2.690 -2.974 1.00 53.23 H new ATOM 0 HE2 MET A 1 1.614 2.730 -2.847 1.00 53.23 H new ATOM 0 HE3 MET A 1 0.839 1.917 -4.227 1.00 53.23 H new ATOM 18 N GLN A 2 2.918 -2.987 -0.870 1.00 32.51 N ATOM 19 CA GLN A 2 3.307 -4.376 -1.088 1.00 2.41 C ATOM 20 C GLN A 2 2.934 -4.831 -2.495 1.00 34.44 C ATOM 21 O GLN A 2 1.963 -4.347 -3.077 1.00 35.23 O ATOM 22 CB GLN A 2 2.642 -5.283 -0.051 1.00 52.25 C ATOM 23 CG GLN A 2 1.177 -5.565 -0.342 1.00 35.35 C ATOM 24 CD GLN A 2 0.331 -5.613 0.916 1.00 24.21 C ATOM 25 OE1 GLN A 2 0.698 -6.257 1.900 1.00 53.21 O ATOM 26 NE2 GLN A 2 -0.807 -4.930 0.891 1.00 73.42 N ATOM 0 H GLN A 2 1.914 -2.815 -0.930 1.00 32.51 H new ATOM 0 HA GLN A 2 4.389 -4.446 -0.979 1.00 2.41 H new ATOM 0 HB2 GLN A 2 3.184 -6.228 -0.006 1.00 52.25 H new ATOM 0 HB3 GLN A 2 2.726 -4.820 0.932 1.00 52.25 H new ATOM 0 HG2 GLN A 2 0.788 -4.795 -1.008 1.00 35.35 H new ATOM 0 HG3 GLN A 2 1.092 -6.515 -0.869 1.00 35.35 H new ATOM 0 HE21 GLN A 2 -1.072 -4.410 0.054 1.00 73.42 H new ATOM 0 HE22 GLN A 2 -1.417 -4.925 1.709 1.00 73.42 H new ATOM 35 N ILE A 3 3.710 -5.764 -3.035 1.00 24.23 N ATOM 36 CA ILE A 3 3.460 -6.285 -4.373 1.00 20.32 C ATOM 37 C ILE A 3 3.461 -7.810 -4.378 1.00 64.21 C ATOM 38 O ILE A 3 3.837 -8.445 -3.392 1.00 40.22 O ATOM 39 CB ILE A 3 4.509 -5.779 -5.380 1.00 5.33 C ATOM 40 CG1 ILE A 3 5.773 -6.639 -5.309 1.00 1.54 C ATOM 41 CG2 ILE A 3 4.840 -4.318 -5.110 1.00 61.34 C ATOM 42 CD1 ILE A 3 6.408 -6.667 -3.936 1.00 2.10 C ATOM 0 H ILE A 3 4.517 -6.175 -2.566 1.00 24.23 H new ATOM 0 HA ILE A 3 2.477 -5.923 -4.673 1.00 20.32 H new ATOM 0 HB ILE A 3 4.095 -5.858 -6.385 1.00 5.33 H new ATOM 0 HG12 ILE A 3 5.527 -7.658 -5.607 1.00 1.54 H new ATOM 0 HG13 ILE A 3 6.500 -6.263 -6.029 1.00 1.54 H new ATOM 0 HG21 ILE A 3 5.583 -3.974 -5.830 1.00 61.34 H new ATOM 0 HG22 ILE A 3 3.936 -3.716 -5.206 1.00 61.34 H new ATOM 0 HG23 ILE A 3 5.238 -4.216 -4.101 1.00 61.34 H new ATOM 0 HD11 ILE A 3 7.298 -7.295 -3.960 1.00 2.10 H new ATOM 0 HD12 ILE A 3 6.686 -5.655 -3.643 1.00 2.10 H new ATOM 0 HD13 ILE A 3 5.698 -7.071 -3.215 1.00 2.10 H new ATOM 54 N PHE A 4 3.040 -8.393 -5.496 1.00 4.12 N ATOM 55 CA PHE A 4 2.994 -9.844 -5.631 1.00 34.15 C ATOM 56 C PHE A 4 4.169 -10.351 -6.461 1.00 21.42 C ATOM 57 O PHE A 4 4.512 -9.769 -7.490 1.00 62.53 O ATOM 58 CB PHE A 4 1.675 -10.275 -6.276 1.00 21.51 C ATOM 59 CG PHE A 4 0.523 -10.318 -5.314 1.00 35.23 C ATOM 60 CD1 PHE A 4 0.156 -9.188 -4.601 1.00 33.32 C ATOM 61 CD2 PHE A 4 -0.194 -11.489 -5.122 1.00 3.23 C ATOM 62 CE1 PHE A 4 -0.905 -9.224 -3.715 1.00 23.12 C ATOM 63 CE2 PHE A 4 -1.255 -11.530 -4.237 1.00 71.55 C ATOM 64 CZ PHE A 4 -1.610 -10.397 -3.532 1.00 72.23 C ATOM 0 H PHE A 4 2.726 -7.883 -6.321 1.00 4.12 H new ATOM 0 HA PHE A 4 3.063 -10.279 -4.634 1.00 34.15 H new ATOM 0 HB2 PHE A 4 1.435 -9.588 -7.087 1.00 21.51 H new ATOM 0 HB3 PHE A 4 1.803 -11.262 -6.721 1.00 21.51 H new ATOM 0 HD1 PHE A 4 0.705 -8.268 -4.739 1.00 33.32 H new ATOM 0 HD2 PHE A 4 0.079 -12.379 -5.670 1.00 3.23 H new ATOM 0 HE1 PHE A 4 -1.182 -8.336 -3.167 1.00 23.12 H new ATOM 0 HE2 PHE A 4 -1.806 -12.448 -4.097 1.00 71.55 H new ATOM 0 HZ PHE A 4 -2.438 -10.428 -2.839 1.00 72.23 H new ATOM 74 N ILE A 5 4.782 -11.439 -6.005 1.00 51.31 N ATOM 75 CA ILE A 5 5.918 -12.025 -6.705 1.00 41.44 C ATOM 76 C ILE A 5 5.745 -13.531 -6.870 1.00 3.23 C ATOM 77 O ILE A 5 5.218 -14.207 -5.986 1.00 4.11 O ATOM 78 CB ILE A 5 7.240 -11.749 -5.964 1.00 15.21 C ATOM 79 CG1 ILE A 5 7.466 -10.242 -5.823 1.00 34.10 C ATOM 80 CG2 ILE A 5 8.404 -12.398 -6.697 1.00 73.30 C ATOM 81 CD1 ILE A 5 7.191 -9.718 -4.431 1.00 2.50 C ATOM 0 H ILE A 5 4.511 -11.932 -5.154 1.00 51.31 H new ATOM 0 HA ILE A 5 5.958 -11.557 -7.688 1.00 41.44 H new ATOM 0 HB ILE A 5 7.177 -12.183 -4.966 1.00 15.21 H new ATOM 0 HG12 ILE A 5 8.496 -10.010 -6.093 1.00 34.10 H new ATOM 0 HG13 ILE A 5 6.825 -9.719 -6.533 1.00 34.10 H new ATOM 0 HG21 ILE A 5 9.331 -12.194 -6.161 1.00 73.30 H new ATOM 0 HG22 ILE A 5 8.245 -13.475 -6.750 1.00 73.30 H new ATOM 0 HG23 ILE A 5 8.471 -11.991 -7.706 1.00 73.30 H new ATOM 0 HD11 ILE A 5 7.372 -8.643 -4.404 1.00 2.50 H new ATOM 0 HD12 ILE A 5 6.153 -9.918 -4.165 1.00 2.50 H new ATOM 0 HD13 ILE A 5 7.850 -10.214 -3.719 1.00 2.50 H new ATOM 93 N LYS A 6 6.194 -14.052 -8.007 1.00 3.43 N ATOM 94 CA LYS A 6 6.093 -15.479 -8.288 1.00 1.24 C ATOM 95 C LYS A 6 7.458 -16.062 -8.640 1.00 73.10 C ATOM 96 O LYS A 6 8.325 -15.366 -9.169 1.00 10.53 O ATOM 97 CB LYS A 6 5.110 -15.725 -9.434 1.00 33.41 C ATOM 98 CG LYS A 6 3.821 -14.931 -9.311 1.00 40.14 C ATOM 99 CD LYS A 6 3.001 -15.379 -8.113 1.00 64.20 C ATOM 100 CE LYS A 6 1.546 -14.955 -8.243 1.00 24.31 C ATOM 101 NZ LYS A 6 0.637 -15.849 -7.473 1.00 5.01 N ATOM 0 H LYS A 6 6.632 -13.506 -8.749 1.00 3.43 H new ATOM 0 HA LYS A 6 5.726 -15.976 -7.390 1.00 1.24 H new ATOM 0 HB2 LYS A 6 5.594 -15.472 -10.377 1.00 33.41 H new ATOM 0 HB3 LYS A 6 4.870 -16.787 -9.474 1.00 33.41 H new ATOM 0 HG2 LYS A 6 4.054 -13.870 -9.217 1.00 40.14 H new ATOM 0 HG3 LYS A 6 3.232 -15.049 -10.221 1.00 40.14 H new ATOM 0 HD2 LYS A 6 3.058 -16.463 -8.017 1.00 64.20 H new ATOM 0 HD3 LYS A 6 3.424 -14.956 -7.202 1.00 64.20 H new ATOM 0 HE2 LYS A 6 1.433 -13.930 -7.889 1.00 24.31 H new ATOM 0 HE3 LYS A 6 1.258 -14.962 -9.294 1.00 24.31 H new ATOM 0 HZ1 LYS A 6 -0.131 -15.286 -7.055 1.00 5.01 H new ATOM 0 HZ2 LYS A 6 0.234 -16.566 -8.110 1.00 5.01 H new ATOM 0 HZ3 LYS A 6 1.173 -16.320 -6.716 1.00 5.01 H new ATOM 115 N THR A 7 7.642 -17.345 -8.345 1.00 70.33 N ATOM 116 CA THR A 7 8.901 -18.022 -8.631 1.00 74.13 C ATOM 117 C THR A 7 8.725 -19.070 -9.724 1.00 63.32 C ATOM 118 O THR A 7 7.654 -19.187 -10.320 1.00 72.24 O ATOM 119 CB THR A 7 9.472 -18.700 -7.372 1.00 64.51 C ATOM 120 OG1 THR A 7 8.591 -19.740 -6.933 1.00 1.15 O ATOM 121 CG2 THR A 7 9.668 -17.688 -6.254 1.00 25.13 C ATOM 0 H THR A 7 6.935 -17.936 -7.908 1.00 70.33 H new ATOM 0 HA THR A 7 9.601 -17.259 -8.972 1.00 74.13 H new ATOM 0 HB THR A 7 10.441 -19.129 -7.625 1.00 64.51 H new ATOM 0 HG1 THR A 7 9.069 -20.596 -6.935 1.00 1.15 H new ATOM 0 HG21 THR A 7 10.072 -18.190 -5.375 1.00 25.13 H new ATOM 0 HG22 THR A 7 10.363 -16.914 -6.581 1.00 25.13 H new ATOM 0 HG23 THR A 7 8.710 -17.233 -6.003 1.00 25.13 H new ATOM 129 N LEU A 8 9.783 -19.831 -9.982 1.00 70.34 N ATOM 130 CA LEU A 8 9.746 -20.872 -11.004 1.00 53.23 C ATOM 131 C LEU A 8 8.849 -22.028 -10.572 1.00 51.52 C ATOM 132 O LEU A 8 8.202 -22.670 -11.400 1.00 42.24 O ATOM 133 CB LEU A 8 11.158 -21.386 -11.288 1.00 41.15 C ATOM 134 CG LEU A 8 11.426 -21.855 -12.719 1.00 24.22 C ATOM 135 CD1 LEU A 8 10.548 -23.048 -13.063 1.00 55.31 C ATOM 136 CD2 LEU A 8 11.197 -20.719 -13.705 1.00 21.02 C ATOM 0 H LEU A 8 10.677 -19.747 -9.498 1.00 70.34 H new ATOM 0 HA LEU A 8 9.334 -20.438 -11.915 1.00 53.23 H new ATOM 0 HB2 LEU A 8 11.867 -20.594 -11.048 1.00 41.15 H new ATOM 0 HB3 LEU A 8 11.365 -22.215 -10.611 1.00 41.15 H new ATOM 0 HG LEU A 8 12.469 -22.165 -12.790 1.00 24.22 H new ATOM 0 HD11 LEU A 8 10.753 -23.368 -14.085 1.00 55.31 H new ATOM 0 HD12 LEU A 8 10.762 -23.867 -12.377 1.00 55.31 H new ATOM 0 HD13 LEU A 8 9.499 -22.765 -12.974 1.00 55.31 H new ATOM 0 HD21 LEU A 8 11.392 -21.071 -14.718 1.00 21.02 H new ATOM 0 HD22 LEU A 8 10.165 -20.377 -13.633 1.00 21.02 H new ATOM 0 HD23 LEU A 8 11.870 -19.894 -13.472 1.00 21.02 H new ATOM 148 N THR A 9 8.813 -22.287 -9.269 1.00 12.44 N ATOM 149 CA THR A 9 7.995 -23.364 -8.726 1.00 13.32 C ATOM 150 C THR A 9 6.528 -22.955 -8.648 1.00 43.31 C ATOM 151 O THR A 9 5.656 -23.781 -8.383 1.00 65.20 O ATOM 152 CB THR A 9 8.475 -23.781 -7.323 1.00 35.21 C ATOM 153 OG1 THR A 9 8.549 -22.634 -6.469 1.00 42.02 O ATOM 154 CG2 THR A 9 9.836 -24.455 -7.395 1.00 63.41 C ATOM 0 H THR A 9 9.341 -21.765 -8.570 1.00 12.44 H new ATOM 0 HA THR A 9 8.097 -24.211 -9.404 1.00 13.32 H new ATOM 0 HB THR A 9 7.757 -24.492 -6.914 1.00 35.21 H new ATOM 0 HG1 THR A 9 8.853 -22.908 -5.579 1.00 42.02 H new ATOM 0 HG21 THR A 9 10.154 -24.740 -6.392 1.00 63.41 H new ATOM 0 HG22 THR A 9 9.769 -25.344 -8.021 1.00 63.41 H new ATOM 0 HG23 THR A 9 10.562 -23.764 -7.823 1.00 63.41 H new ATOM 162 N GLY A 10 6.263 -21.673 -8.882 1.00 12.11 N ATOM 163 CA GLY A 10 4.900 -21.177 -8.834 1.00 73.10 C ATOM 164 C GLY A 10 4.539 -20.603 -7.478 1.00 72.32 C ATOM 165 O GLY A 10 3.401 -20.191 -7.253 1.00 12.12 O ATOM 0 H GLY A 10 6.968 -20.970 -9.104 1.00 12.11 H new ATOM 0 HA2 GLY A 10 4.769 -20.409 -9.597 1.00 73.10 H new ATOM 0 HA3 GLY A 10 4.213 -21.988 -9.077 1.00 73.10 H new ATOM 169 N LYS A 11 5.509 -20.578 -6.571 1.00 43.51 N ATOM 170 CA LYS A 11 5.289 -20.051 -5.229 1.00 44.34 C ATOM 171 C LYS A 11 4.848 -18.592 -5.283 1.00 52.33 C ATOM 172 O LYS A 11 5.203 -17.858 -6.207 1.00 34.13 O ATOM 173 CB LYS A 11 6.565 -20.178 -4.394 1.00 2.12 C ATOM 174 CG LYS A 11 6.325 -20.072 -2.898 1.00 25.23 C ATOM 175 CD LYS A 11 5.442 -21.201 -2.393 1.00 64.33 C ATOM 176 CE LYS A 11 5.393 -21.234 -0.873 1.00 64.05 C ATOM 177 NZ LYS A 11 6.642 -21.799 -0.290 1.00 52.33 N ATOM 0 H LYS A 11 6.456 -20.917 -6.741 1.00 43.51 H new ATOM 0 HA LYS A 11 4.496 -20.635 -4.762 1.00 44.34 H new ATOM 0 HB2 LYS A 11 7.037 -21.136 -4.611 1.00 2.12 H new ATOM 0 HB3 LYS A 11 7.267 -19.401 -4.697 1.00 2.12 H new ATOM 0 HG2 LYS A 11 7.280 -20.093 -2.373 1.00 25.23 H new ATOM 0 HG3 LYS A 11 5.858 -19.114 -2.671 1.00 25.23 H new ATOM 0 HD2 LYS A 11 4.433 -21.080 -2.788 1.00 64.33 H new ATOM 0 HD3 LYS A 11 5.818 -22.153 -2.767 1.00 64.33 H new ATOM 0 HE2 LYS A 11 5.239 -20.224 -0.493 1.00 64.05 H new ATOM 0 HE3 LYS A 11 4.539 -21.830 -0.550 1.00 64.05 H new ATOM 0 HZ1 LYS A 11 6.530 -21.899 0.739 1.00 52.33 H new ATOM 0 HZ2 LYS A 11 6.830 -22.732 -0.710 1.00 52.33 H new ATOM 0 HZ3 LYS A 11 7.439 -21.161 -0.491 1.00 52.33 H new ATOM 191 N THR A 12 4.072 -18.175 -4.287 1.00 23.51 N ATOM 192 CA THR A 12 3.583 -16.804 -4.221 1.00 32.31 C ATOM 193 C THR A 12 4.220 -16.048 -3.061 1.00 23.21 C ATOM 194 O THR A 12 3.937 -16.327 -1.895 1.00 72.25 O ATOM 195 CB THR A 12 2.051 -16.762 -4.067 1.00 12.44 C ATOM 196 OG1 THR A 12 1.431 -17.490 -5.132 1.00 34.10 O ATOM 197 CG2 THR A 12 1.547 -15.326 -4.066 1.00 72.23 C ATOM 0 H THR A 12 3.769 -18.768 -3.515 1.00 23.51 H new ATOM 0 HA THR A 12 3.860 -16.324 -5.159 1.00 32.31 H new ATOM 0 HB THR A 12 1.791 -17.223 -3.114 1.00 12.44 H new ATOM 0 HG1 THR A 12 0.457 -17.460 -5.025 1.00 34.10 H new ATOM 0 HG21 THR A 12 0.463 -15.321 -3.956 1.00 72.23 H new ATOM 0 HG22 THR A 12 1.998 -14.783 -3.236 1.00 72.23 H new ATOM 0 HG23 THR A 12 1.819 -14.844 -5.005 1.00 72.23 H new ATOM 205 N ILE A 13 5.081 -15.090 -3.387 1.00 63.31 N ATOM 206 CA ILE A 13 5.757 -14.293 -2.371 1.00 42.12 C ATOM 207 C ILE A 13 5.312 -12.836 -2.430 1.00 44.54 C ATOM 208 O ILE A 13 5.450 -12.173 -3.460 1.00 23.43 O ATOM 209 CB ILE A 13 7.288 -14.358 -2.531 1.00 14.32 C ATOM 210 CG1 ILE A 13 7.744 -15.808 -2.700 1.00 74.44 C ATOM 211 CG2 ILE A 13 7.973 -13.718 -1.332 1.00 73.14 C ATOM 212 CD1 ILE A 13 9.233 -15.952 -2.923 1.00 51.50 C ATOM 0 H ILE A 13 5.327 -14.847 -4.347 1.00 63.31 H new ATOM 0 HA ILE A 13 5.483 -14.715 -1.404 1.00 42.12 H new ATOM 0 HB ILE A 13 7.569 -13.802 -3.425 1.00 14.32 H new ATOM 0 HG12 ILE A 13 7.461 -16.375 -1.813 1.00 74.44 H new ATOM 0 HG13 ILE A 13 7.214 -16.251 -3.543 1.00 74.44 H new ATOM 0 HG21 ILE A 13 9.054 -13.771 -1.459 1.00 73.14 H new ATOM 0 HG22 ILE A 13 7.668 -12.675 -1.253 1.00 73.14 H new ATOM 0 HG23 ILE A 13 7.688 -14.249 -0.424 1.00 73.14 H new ATOM 0 HD11 ILE A 13 9.484 -17.007 -3.034 1.00 51.50 H new ATOM 0 HD12 ILE A 13 9.519 -15.414 -3.826 1.00 51.50 H new ATOM 0 HD13 ILE A 13 9.770 -15.539 -2.069 1.00 51.50 H new ATOM 224 N THR A 14 4.779 -12.340 -1.318 1.00 52.53 N ATOM 225 CA THR A 14 4.314 -10.960 -1.243 1.00 22.34 C ATOM 226 C THR A 14 4.849 -10.267 0.005 1.00 23.54 C ATOM 227 O THR A 14 4.699 -10.770 1.118 1.00 24.54 O ATOM 228 CB THR A 14 2.776 -10.885 -1.238 1.00 33.22 C ATOM 229 OG1 THR A 14 2.260 -11.487 -0.046 1.00 35.34 O ATOM 230 CG2 THR A 14 2.196 -11.585 -2.458 1.00 30.44 C ATOM 0 H THR A 14 4.658 -12.873 -0.457 1.00 52.53 H new ATOM 0 HA THR A 14 4.692 -10.450 -2.129 1.00 22.34 H new ATOM 0 HB THR A 14 2.485 -9.835 -1.269 1.00 33.22 H new ATOM 0 HG1 THR A 14 2.919 -11.404 0.674 1.00 35.34 H new ATOM 0 HG21 THR A 14 1.108 -11.519 -2.433 1.00 30.44 H new ATOM 0 HG22 THR A 14 2.568 -11.105 -3.364 1.00 30.44 H new ATOM 0 HG23 THR A 14 2.496 -12.633 -2.453 1.00 30.44 H new ATOM 238 N ALA A 15 5.473 -9.110 -0.188 1.00 24.14 N ATOM 239 CA ALA A 15 6.028 -8.347 0.923 1.00 4.04 C ATOM 240 C ALA A 15 6.338 -6.914 0.505 1.00 52.34 C ATOM 241 O ALA A 15 6.628 -6.648 -0.661 1.00 42.41 O ATOM 242 CB ALA A 15 7.282 -9.026 1.456 1.00 52.41 C ATOM 0 H ALA A 15 5.607 -8.680 -1.103 1.00 24.14 H new ATOM 0 HA ALA A 15 5.281 -8.313 1.716 1.00 4.04 H new ATOM 0 HB1 ALA A 15 7.686 -8.445 2.285 1.00 52.41 H new ATOM 0 HB2 ALA A 15 7.033 -10.029 1.803 1.00 52.41 H new ATOM 0 HB3 ALA A 15 8.026 -9.091 0.662 1.00 52.41 H new ATOM 248 N GLU A 16 6.273 -5.995 1.463 1.00 13.21 N ATOM 249 CA GLU A 16 6.545 -4.588 1.191 1.00 33.25 C ATOM 250 C GLU A 16 8.047 -4.324 1.142 1.00 31.21 C ATOM 251 O GLU A 16 8.820 -4.924 1.890 1.00 31.01 O ATOM 252 CB GLU A 16 5.895 -3.705 2.259 1.00 44.11 C ATOM 253 CG GLU A 16 6.489 -3.890 3.645 1.00 12.15 C ATOM 254 CD GLU A 16 5.584 -3.362 4.742 1.00 24.12 C ATOM 255 OE1 GLU A 16 5.764 -2.195 5.148 1.00 50.42 O ATOM 256 OE2 GLU A 16 4.698 -4.116 5.195 1.00 11.10 O ATOM 0 H GLU A 16 6.035 -6.199 2.434 1.00 13.21 H new ATOM 0 HA GLU A 16 6.119 -4.343 0.218 1.00 33.25 H new ATOM 0 HB2 GLU A 16 5.997 -2.660 1.966 1.00 44.11 H new ATOM 0 HB3 GLU A 16 4.828 -3.923 2.298 1.00 44.11 H new ATOM 0 HG2 GLU A 16 6.681 -4.949 3.816 1.00 12.15 H new ATOM 0 HG3 GLU A 16 7.451 -3.380 3.695 1.00 12.15 H new ATOM 263 N THR A 17 8.455 -3.422 0.255 1.00 75.14 N ATOM 264 CA THR A 17 9.863 -3.079 0.105 1.00 21.12 C ATOM 265 C THR A 17 10.091 -1.587 0.316 1.00 51.31 C ATOM 266 O THR A 17 9.142 -0.825 0.502 1.00 63.51 O ATOM 267 CB THR A 17 10.394 -3.477 -1.285 1.00 53.31 C ATOM 268 OG1 THR A 17 11.820 -3.360 -1.317 1.00 5.31 O ATOM 269 CG2 THR A 17 9.784 -2.600 -2.368 1.00 53.32 C ATOM 0 H THR A 17 7.829 -2.915 -0.371 1.00 75.14 H new ATOM 0 HA THR A 17 10.407 -3.638 0.867 1.00 21.12 H new ATOM 0 HB THR A 17 10.111 -4.512 -1.475 1.00 53.31 H new ATOM 0 HG1 THR A 17 12.188 -4.017 -1.945 1.00 5.31 H new ATOM 0 HG21 THR A 17 10.174 -2.899 -3.341 1.00 53.32 H new ATOM 0 HG22 THR A 17 8.700 -2.714 -2.361 1.00 53.32 H new ATOM 0 HG23 THR A 17 10.041 -1.558 -2.180 1.00 53.32 H new ATOM 277 N GLU A 18 11.355 -1.175 0.285 1.00 73.44 N ATOM 278 CA GLU A 18 11.706 0.227 0.473 1.00 54.45 C ATOM 279 C GLU A 18 11.938 0.915 -0.870 1.00 31.30 C ATOM 280 O GLU A 18 12.431 0.315 -1.826 1.00 14.21 O ATOM 281 CB GLU A 18 12.957 0.351 1.344 1.00 21.33 C ATOM 282 CG GLU A 18 12.674 0.247 2.834 1.00 41.25 C ATOM 283 CD GLU A 18 13.888 -0.192 3.629 1.00 42.40 C ATOM 284 OE1 GLU A 18 13.735 -1.060 4.514 1.00 51.14 O ATOM 285 OE2 GLU A 18 14.991 0.333 3.367 1.00 32.35 O ATOM 0 H GLU A 18 12.152 -1.793 0.131 1.00 73.44 H new ATOM 0 HA GLU A 18 10.873 0.719 0.975 1.00 54.45 H new ATOM 0 HB2 GLU A 18 13.665 -0.429 1.062 1.00 21.33 H new ATOM 0 HB3 GLU A 18 13.438 1.307 1.140 1.00 21.33 H new ATOM 0 HG2 GLU A 18 12.333 1.214 3.204 1.00 41.25 H new ATOM 0 HG3 GLU A 18 11.862 -0.461 2.997 1.00 41.25 H new ATOM 292 N PRO A 19 11.574 2.204 -0.945 1.00 63.41 N ATOM 293 CA PRO A 19 11.733 3.001 -2.165 1.00 1.13 C ATOM 294 C PRO A 19 13.196 3.294 -2.480 1.00 21.15 C ATOM 295 O PRO A 19 13.540 3.643 -3.608 1.00 61.34 O ATOM 296 CB PRO A 19 10.986 4.297 -1.841 1.00 1.32 C ATOM 297 CG PRO A 19 11.025 4.396 -0.355 1.00 21.32 C ATOM 298 CD PRO A 19 10.981 2.982 0.155 1.00 33.22 C ATOM 0 HA PRO A 19 11.352 2.481 -3.044 1.00 1.13 H new ATOM 0 HB2 PRO A 19 11.465 5.157 -2.308 1.00 1.32 H new ATOM 0 HB3 PRO A 19 9.960 4.265 -2.209 1.00 1.32 H new ATOM 0 HG2 PRO A 19 11.930 4.903 -0.021 1.00 21.32 H new ATOM 0 HG3 PRO A 19 10.180 4.973 0.020 1.00 21.32 H new ATOM 0 HD2 PRO A 19 11.549 2.870 1.078 1.00 33.22 H new ATOM 0 HD3 PRO A 19 9.961 2.663 0.368 1.00 33.22 H new ATOM 306 N ALA A 20 14.053 3.149 -1.474 1.00 43.33 N ATOM 307 CA ALA A 20 15.480 3.396 -1.645 1.00 73.13 C ATOM 308 C ALA A 20 16.143 2.264 -2.423 1.00 2.13 C ATOM 309 O ALA A 20 17.151 2.471 -3.097 1.00 64.31 O ATOM 310 CB ALA A 20 16.151 3.573 -0.291 1.00 73.22 C ATOM 0 H ALA A 20 13.784 2.862 -0.533 1.00 43.33 H new ATOM 0 HA ALA A 20 15.599 4.315 -2.219 1.00 73.13 H new ATOM 0 HB1 ALA A 20 17.216 3.757 -0.434 1.00 73.22 H new ATOM 0 HB2 ALA A 20 15.703 4.420 0.229 1.00 73.22 H new ATOM 0 HB3 ALA A 20 16.015 2.669 0.303 1.00 73.22 H new ATOM 316 N GLU A 21 15.571 1.068 -2.323 1.00 12.54 N ATOM 317 CA GLU A 21 16.109 -0.096 -3.016 1.00 2.10 C ATOM 318 C GLU A 21 15.125 -1.261 -2.968 1.00 54.25 C ATOM 319 O GLU A 21 15.060 -1.995 -1.982 1.00 11.01 O ATOM 320 CB GLU A 21 17.443 -0.516 -2.395 1.00 0.53 C ATOM 321 CG GLU A 21 18.656 0.006 -3.147 1.00 73.33 C ATOM 322 CD GLU A 21 19.887 -0.854 -2.937 1.00 72.41 C ATOM 323 OE1 GLU A 21 20.470 -1.310 -3.943 1.00 72.41 O ATOM 324 OE2 GLU A 21 20.267 -1.072 -1.768 1.00 12.32 O ATOM 0 H GLU A 21 14.735 0.880 -1.769 1.00 12.54 H new ATOM 0 HA GLU A 21 16.272 0.178 -4.059 1.00 2.10 H new ATOM 0 HB2 GLU A 21 17.483 -0.160 -1.366 1.00 0.53 H new ATOM 0 HB3 GLU A 21 17.490 -1.604 -2.358 1.00 0.53 H new ATOM 0 HG2 GLU A 21 18.427 0.052 -4.212 1.00 73.33 H new ATOM 0 HG3 GLU A 21 18.869 1.025 -2.823 1.00 73.33 H new ATOM 331 N THR A 22 14.358 -1.424 -4.042 1.00 72.22 N ATOM 332 CA THR A 22 13.375 -2.497 -4.124 1.00 22.44 C ATOM 333 C THR A 22 14.048 -3.839 -4.390 1.00 75.34 C ATOM 334 O THR A 22 13.581 -4.881 -3.930 1.00 22.35 O ATOM 335 CB THR A 22 12.338 -2.227 -5.230 1.00 10.22 C ATOM 336 OG1 THR A 22 11.166 -3.018 -5.006 1.00 72.34 O ATOM 337 CG2 THR A 22 12.915 -2.542 -6.602 1.00 1.04 C ATOM 0 H THR A 22 14.399 -0.826 -4.867 1.00 72.22 H new ATOM 0 HA THR A 22 12.866 -2.533 -3.161 1.00 22.44 H new ATOM 0 HB THR A 22 12.073 -1.170 -5.199 1.00 10.22 H new ATOM 0 HG1 THR A 22 11.408 -3.968 -5.000 1.00 72.34 H new ATOM 0 HG21 THR A 22 12.164 -2.344 -7.367 1.00 1.04 H new ATOM 0 HG22 THR A 22 13.790 -1.917 -6.781 1.00 1.04 H new ATOM 0 HG23 THR A 22 13.205 -3.592 -6.642 1.00 1.04 H new ATOM 345 N VAL A 23 15.147 -3.807 -5.137 1.00 72.21 N ATOM 346 CA VAL A 23 15.885 -5.021 -5.464 1.00 32.42 C ATOM 347 C VAL A 23 16.694 -5.511 -4.268 1.00 73.31 C ATOM 348 O VAL A 23 16.567 -6.662 -3.850 1.00 4.33 O ATOM 349 CB VAL A 23 16.835 -4.797 -6.655 1.00 71.33 C ATOM 350 CG1 VAL A 23 17.641 -6.055 -6.939 1.00 63.33 C ATOM 351 CG2 VAL A 23 16.052 -4.366 -7.887 1.00 22.55 C ATOM 0 H VAL A 23 15.546 -2.953 -5.527 1.00 72.21 H new ATOM 0 HA VAL A 23 15.147 -5.777 -5.735 1.00 32.42 H new ATOM 0 HB VAL A 23 17.531 -3.999 -6.397 1.00 71.33 H new ATOM 0 HG11 VAL A 23 18.307 -5.878 -7.784 1.00 63.33 H new ATOM 0 HG12 VAL A 23 18.231 -6.315 -6.060 1.00 63.33 H new ATOM 0 HG13 VAL A 23 16.964 -6.875 -7.177 1.00 63.33 H new ATOM 0 HG21 VAL A 23 16.739 -4.212 -8.719 1.00 22.55 H new ATOM 0 HG22 VAL A 23 15.332 -5.141 -8.150 1.00 22.55 H new ATOM 0 HG23 VAL A 23 15.524 -3.436 -7.676 1.00 22.55 H new ATOM 361 N ALA A 24 17.525 -4.630 -3.722 1.00 11.12 N ATOM 362 CA ALA A 24 18.353 -4.972 -2.572 1.00 40.40 C ATOM 363 C ALA A 24 17.497 -5.420 -1.393 1.00 32.24 C ATOM 364 O ALA A 24 17.802 -6.415 -0.735 1.00 32.13 O ATOM 365 CB ALA A 24 19.221 -3.786 -2.176 1.00 21.51 C ATOM 0 H ALA A 24 17.643 -3.674 -4.057 1.00 11.12 H new ATOM 0 HA ALA A 24 18.999 -5.803 -2.855 1.00 40.40 H new ATOM 0 HB1 ALA A 24 19.834 -4.055 -1.316 1.00 21.51 H new ATOM 0 HB2 ALA A 24 19.866 -3.513 -3.011 1.00 21.51 H new ATOM 0 HB3 ALA A 24 18.585 -2.940 -1.917 1.00 21.51 H new ATOM 371 N ASP A 25 16.425 -4.680 -1.130 1.00 62.23 N ATOM 372 CA ASP A 25 15.524 -5.002 -0.030 1.00 23.22 C ATOM 373 C ASP A 25 14.971 -6.416 -0.177 1.00 33.23 C ATOM 374 O ASP A 25 14.908 -7.174 0.793 1.00 42.34 O ATOM 375 CB ASP A 25 14.375 -3.995 0.028 1.00 0.32 C ATOM 376 CG ASP A 25 13.197 -4.506 0.833 1.00 34.32 C ATOM 377 OD1 ASP A 25 12.423 -5.327 0.297 1.00 31.30 O ATOM 378 OD2 ASP A 25 13.049 -4.086 2.000 1.00 74.52 O ATOM 0 H ASP A 25 16.159 -3.853 -1.664 1.00 62.23 H new ATOM 0 HA ASP A 25 16.091 -4.948 0.899 1.00 23.22 H new ATOM 0 HB2 ASP A 25 14.734 -3.064 0.466 1.00 0.32 H new ATOM 0 HB3 ASP A 25 14.046 -3.765 -0.985 1.00 0.32 H new ATOM 383 N LEU A 26 14.569 -6.765 -1.394 1.00 22.21 N ATOM 384 CA LEU A 26 14.019 -8.088 -1.668 1.00 64.31 C ATOM 385 C LEU A 26 15.113 -9.151 -1.633 1.00 45.54 C ATOM 386 O LEU A 26 14.902 -10.260 -1.143 1.00 11.33 O ATOM 387 CB LEU A 26 13.324 -8.101 -3.030 1.00 54.24 C ATOM 388 CG LEU A 26 12.156 -9.077 -3.179 1.00 24.30 C ATOM 389 CD1 LEU A 26 11.152 -8.558 -4.196 1.00 11.33 C ATOM 390 CD2 LEU A 26 12.662 -10.455 -3.582 1.00 33.13 C ATOM 0 H LEU A 26 14.614 -6.150 -2.207 1.00 22.21 H new ATOM 0 HA LEU A 26 13.289 -8.318 -0.892 1.00 64.31 H new ATOM 0 HB2 LEU A 26 12.960 -7.095 -3.239 1.00 54.24 H new ATOM 0 HB3 LEU A 26 14.067 -8.336 -3.792 1.00 54.24 H new ATOM 0 HG LEU A 26 11.654 -9.163 -2.215 1.00 24.30 H new ATOM 0 HD11 LEU A 26 10.328 -9.266 -4.288 1.00 11.33 H new ATOM 0 HD12 LEU A 26 10.766 -7.593 -3.867 1.00 11.33 H new ATOM 0 HD13 LEU A 26 11.641 -8.442 -5.163 1.00 11.33 H new ATOM 0 HD21 LEU A 26 11.818 -11.137 -3.684 1.00 33.13 H new ATOM 0 HD22 LEU A 26 13.189 -10.385 -4.534 1.00 33.13 H new ATOM 0 HD23 LEU A 26 13.342 -10.831 -2.818 1.00 33.13 H new ATOM 402 N LYS A 27 16.285 -8.803 -2.156 1.00 31.15 N ATOM 403 CA LYS A 27 17.415 -9.724 -2.182 1.00 33.41 C ATOM 404 C LYS A 27 17.854 -10.088 -0.767 1.00 13.41 C ATOM 405 O LYS A 27 18.308 -11.203 -0.516 1.00 63.43 O ATOM 406 CB LYS A 27 18.586 -9.105 -2.948 1.00 23.34 C ATOM 407 CG LYS A 27 18.317 -8.928 -4.432 1.00 22.51 C ATOM 408 CD LYS A 27 18.920 -10.061 -5.247 1.00 14.14 C ATOM 409 CE LYS A 27 19.397 -9.576 -6.607 1.00 30.11 C ATOM 410 NZ LYS A 27 18.303 -9.594 -7.617 1.00 62.14 N ATOM 0 H LYS A 27 16.476 -7.889 -2.567 1.00 31.15 H new ATOM 0 HA LYS A 27 17.098 -10.635 -2.690 1.00 33.41 H new ATOM 0 HB2 LYS A 27 18.822 -8.134 -2.512 1.00 23.34 H new ATOM 0 HB3 LYS A 27 19.466 -9.735 -2.820 1.00 23.34 H new ATOM 0 HG2 LYS A 27 17.242 -8.886 -4.605 1.00 22.51 H new ATOM 0 HG3 LYS A 27 18.731 -7.977 -4.767 1.00 22.51 H new ATOM 0 HD2 LYS A 27 19.756 -10.498 -4.701 1.00 14.14 H new ATOM 0 HD3 LYS A 27 18.179 -10.849 -5.380 1.00 14.14 H new ATOM 0 HE2 LYS A 27 19.789 -8.563 -6.514 1.00 30.11 H new ATOM 0 HE3 LYS A 27 20.218 -10.206 -6.950 1.00 30.11 H new ATOM 0 HZ1 LYS A 27 18.592 -9.044 -8.451 1.00 62.14 H new ATOM 0 HZ2 LYS A 27 18.108 -10.576 -7.900 1.00 62.14 H new ATOM 0 HZ3 LYS A 27 17.444 -9.175 -7.206 1.00 62.14 H new ATOM 424 N GLN A 28 17.713 -9.139 0.153 1.00 11.03 N ATOM 425 CA GLN A 28 18.095 -9.361 1.543 1.00 53.10 C ATOM 426 C GLN A 28 17.196 -10.407 2.194 1.00 60.10 C ATOM 427 O GLN A 28 17.626 -11.147 3.079 1.00 3.22 O ATOM 428 CB GLN A 28 18.024 -8.050 2.329 1.00 72.41 C ATOM 429 CG GLN A 28 18.325 -8.212 3.810 1.00 23.20 C ATOM 430 CD GLN A 28 18.680 -6.900 4.480 1.00 4.41 C ATOM 431 OE1 GLN A 28 19.856 -6.581 4.664 1.00 74.20 O ATOM 432 NE2 GLN A 28 17.664 -6.129 4.849 1.00 10.03 N ATOM 0 H GLN A 28 17.338 -8.210 -0.039 1.00 11.03 H new ATOM 0 HA GLN A 28 19.121 -9.730 1.557 1.00 53.10 H new ATOM 0 HB2 GLN A 28 18.730 -7.339 1.899 1.00 72.41 H new ATOM 0 HB3 GLN A 28 17.029 -7.620 2.214 1.00 72.41 H new ATOM 0 HG2 GLN A 28 17.458 -8.647 4.308 1.00 23.20 H new ATOM 0 HG3 GLN A 28 19.149 -8.914 3.935 1.00 23.20 H new ATOM 0 HE21 GLN A 28 16.705 -6.432 4.677 1.00 10.03 H new ATOM 0 HE22 GLN A 28 17.842 -5.234 5.304 1.00 10.03 H new ATOM 441 N LYS A 29 15.945 -10.464 1.750 1.00 11.33 N ATOM 442 CA LYS A 29 14.984 -11.420 2.288 1.00 3.32 C ATOM 443 C LYS A 29 15.429 -12.852 2.012 1.00 63.33 C ATOM 444 O LYS A 29 15.497 -13.678 2.923 1.00 52.30 O ATOM 445 CB LYS A 29 13.600 -11.179 1.682 1.00 12.44 C ATOM 446 CG LYS A 29 12.970 -9.864 2.109 1.00 52.11 C ATOM 447 CD LYS A 29 12.189 -10.014 3.404 1.00 74.14 C ATOM 448 CE LYS A 29 10.801 -10.584 3.154 1.00 14.11 C ATOM 449 NZ LYS A 29 9.995 -10.649 4.405 1.00 72.13 N ATOM 0 H LYS A 29 15.573 -9.859 1.018 1.00 11.33 H new ATOM 0 HA LYS A 29 14.931 -11.276 3.367 1.00 3.32 H new ATOM 0 HB2 LYS A 29 13.680 -11.198 0.595 1.00 12.44 H new ATOM 0 HB3 LYS A 29 12.940 -11.998 1.967 1.00 12.44 H new ATOM 0 HG2 LYS A 29 13.748 -9.112 2.237 1.00 52.11 H new ATOM 0 HG3 LYS A 29 12.306 -9.505 1.322 1.00 52.11 H new ATOM 0 HD2 LYS A 29 12.734 -10.667 4.086 1.00 74.14 H new ATOM 0 HD3 LYS A 29 12.103 -9.044 3.893 1.00 74.14 H new ATOM 0 HE2 LYS A 29 10.282 -9.968 2.419 1.00 14.11 H new ATOM 0 HE3 LYS A 29 10.890 -11.583 2.727 1.00 14.11 H new ATOM 0 HZ1 LYS A 29 9.056 -11.043 4.193 1.00 72.13 H new ATOM 0 HZ2 LYS A 29 10.477 -11.257 5.097 1.00 72.13 H new ATOM 0 HZ3 LYS A 29 9.888 -9.693 4.799 1.00 72.13 H new ATOM 463 N ILE A 30 15.733 -13.140 0.750 1.00 12.35 N ATOM 464 CA ILE A 30 16.174 -14.472 0.356 1.00 52.21 C ATOM 465 C ILE A 30 17.612 -14.727 0.794 1.00 50.10 C ATOM 466 O ILE A 30 17.953 -15.826 1.230 1.00 41.02 O ATOM 467 CB ILE A 30 16.070 -14.671 -1.168 1.00 1.22 C ATOM 468 CG1 ILE A 30 14.630 -14.450 -1.636 1.00 63.31 C ATOM 469 CG2 ILE A 30 16.551 -16.061 -1.554 1.00 65.32 C ATOM 470 CD1 ILE A 30 14.336 -13.021 -2.033 1.00 1.54 C ATOM 0 H ILE A 30 15.682 -12.469 -0.016 1.00 12.35 H new ATOM 0 HA ILE A 30 15.514 -15.183 0.853 1.00 52.21 H new ATOM 0 HB ILE A 30 16.708 -13.937 -1.660 1.00 1.22 H new ATOM 0 HG12 ILE A 30 14.428 -15.103 -2.485 1.00 63.31 H new ATOM 0 HG13 ILE A 30 13.948 -14.744 -0.838 1.00 63.31 H new ATOM 0 HG21 ILE A 30 16.471 -16.187 -2.634 1.00 65.32 H new ATOM 0 HG22 ILE A 30 17.591 -16.184 -1.250 1.00 65.32 H new ATOM 0 HG23 ILE A 30 15.936 -16.810 -1.055 1.00 65.32 H new ATOM 0 HD11 ILE A 30 13.298 -12.939 -2.354 1.00 1.54 H new ATOM 0 HD12 ILE A 30 14.505 -12.364 -1.180 1.00 1.54 H new ATOM 0 HD13 ILE A 30 14.993 -12.728 -2.852 1.00 1.54 H new ATOM 482 N ALA A 31 18.451 -13.703 0.677 1.00 50.14 N ATOM 483 CA ALA A 31 19.852 -13.815 1.064 1.00 13.30 C ATOM 484 C ALA A 31 19.986 -14.293 2.506 1.00 70.23 C ATOM 485 O ALA A 31 20.739 -15.223 2.793 1.00 25.34 O ATOM 486 CB ALA A 31 20.558 -12.480 0.881 1.00 1.40 C ATOM 0 H ALA A 31 18.185 -12.786 0.317 1.00 50.14 H new ATOM 0 HA ALA A 31 20.324 -14.555 0.418 1.00 13.30 H new ATOM 0 HB1 ALA A 31 21.603 -12.578 1.174 1.00 1.40 H new ATOM 0 HB2 ALA A 31 20.501 -12.179 -0.165 1.00 1.40 H new ATOM 0 HB3 ALA A 31 20.076 -11.725 1.503 1.00 1.40 H new ATOM 492 N ASP A 32 19.252 -13.652 3.408 1.00 54.42 N ATOM 493 CA ASP A 32 19.289 -14.012 4.820 1.00 34.23 C ATOM 494 C ASP A 32 18.490 -15.287 5.077 1.00 43.41 C ATOM 495 O ASP A 32 18.715 -15.985 6.066 1.00 41.32 O ATOM 496 CB ASP A 32 18.738 -12.870 5.675 1.00 54.31 C ATOM 497 CG ASP A 32 18.990 -13.080 7.155 1.00 74.21 C ATOM 498 OD1 ASP A 32 19.882 -13.885 7.497 1.00 52.22 O ATOM 499 OD2 ASP A 32 18.295 -12.440 7.971 1.00 3.35 O ATOM 0 H ASP A 32 18.624 -12.880 3.186 1.00 54.42 H new ATOM 0 HA ASP A 32 20.328 -14.193 5.096 1.00 34.23 H new ATOM 0 HB2 ASP A 32 19.196 -11.932 5.361 1.00 54.31 H new ATOM 0 HB3 ASP A 32 17.666 -12.775 5.502 1.00 54.31 H new ATOM 504 N LYS A 33 17.556 -15.584 4.180 1.00 12.23 N ATOM 505 CA LYS A 33 16.723 -16.774 4.308 1.00 1.11 C ATOM 506 C LYS A 33 17.536 -18.038 4.046 1.00 2.41 C ATOM 507 O LYS A 33 17.448 -19.009 4.796 1.00 71.21 O ATOM 508 CB LYS A 33 15.544 -16.703 3.336 1.00 55.13 C ATOM 509 CG LYS A 33 14.715 -17.975 3.291 1.00 14.12 C ATOM 510 CD LYS A 33 13.385 -17.750 2.591 1.00 11.31 C ATOM 511 CE LYS A 33 12.747 -19.065 2.171 1.00 55.20 C ATOM 512 NZ LYS A 33 11.851 -18.895 0.993 1.00 21.42 N ATOM 0 H LYS A 33 17.357 -15.017 3.356 1.00 12.23 H new ATOM 0 HA LYS A 33 16.343 -16.813 5.329 1.00 1.11 H new ATOM 0 HB2 LYS A 33 14.901 -15.870 3.619 1.00 55.13 H new ATOM 0 HB3 LYS A 33 15.921 -16.489 2.336 1.00 55.13 H new ATOM 0 HG2 LYS A 33 15.272 -18.755 2.773 1.00 14.12 H new ATOM 0 HG3 LYS A 33 14.537 -18.331 4.306 1.00 14.12 H new ATOM 0 HD2 LYS A 33 12.709 -17.212 3.256 1.00 11.31 H new ATOM 0 HD3 LYS A 33 13.536 -17.121 1.714 1.00 11.31 H new ATOM 0 HE2 LYS A 33 13.527 -19.788 1.933 1.00 55.20 H new ATOM 0 HE3 LYS A 33 12.177 -19.475 3.005 1.00 55.20 H new ATOM 0 HZ1 LYS A 33 11.435 -19.813 0.738 1.00 21.42 H new ATOM 0 HZ2 LYS A 33 11.091 -18.225 1.228 1.00 21.42 H new ATOM 0 HZ3 LYS A 33 12.400 -18.528 0.190 1.00 21.42 H new ATOM 526 N GLU A 34 18.328 -18.016 2.979 1.00 42.35 N ATOM 527 CA GLU A 34 19.157 -19.160 2.620 1.00 60.45 C ATOM 528 C GLU A 34 20.628 -18.880 2.912 1.00 43.22 C ATOM 529 O GLU A 34 21.512 -19.604 2.456 1.00 41.24 O ATOM 530 CB GLU A 34 18.976 -19.505 1.140 1.00 64.03 C ATOM 531 CG GLU A 34 17.693 -20.262 0.843 1.00 33.04 C ATOM 532 CD GLU A 34 17.575 -20.663 -0.614 1.00 51.54 C ATOM 533 OE1 GLU A 34 16.738 -21.536 -0.923 1.00 74.40 O ATOM 534 OE2 GLU A 34 18.319 -20.103 -1.446 1.00 44.00 O ATOM 0 H GLU A 34 18.413 -17.219 2.348 1.00 42.35 H new ATOM 0 HA GLU A 34 18.840 -20.009 3.225 1.00 60.45 H new ATOM 0 HB2 GLU A 34 18.987 -18.584 0.557 1.00 64.03 H new ATOM 0 HB3 GLU A 34 19.825 -20.103 0.809 1.00 64.03 H new ATOM 0 HG2 GLU A 34 17.650 -21.155 1.466 1.00 33.04 H new ATOM 0 HG3 GLU A 34 16.839 -19.642 1.115 1.00 33.04 H new ATOM 541 N GLY A 35 20.883 -17.822 3.676 1.00 54.31 N ATOM 542 CA GLY A 35 22.247 -17.463 4.016 1.00 41.13 C ATOM 543 C GLY A 35 23.141 -17.363 2.796 1.00 41.53 C ATOM 544 O GLY A 35 24.334 -17.661 2.865 1.00 55.25 O ATOM 0 H GLY A 35 20.169 -17.207 4.066 1.00 54.31 H new ATOM 0 HA2 GLY A 35 22.248 -16.509 4.543 1.00 41.13 H new ATOM 0 HA3 GLY A 35 22.655 -18.206 4.702 1.00 41.13 H new ATOM 548 N VAL A 36 22.564 -16.943 1.674 1.00 3.31 N ATOM 549 CA VAL A 36 23.317 -16.804 0.433 1.00 74.51 C ATOM 550 C VAL A 36 23.434 -15.341 0.022 1.00 61.24 C ATOM 551 O VAL A 36 22.621 -14.497 0.398 1.00 33.34 O ATOM 552 CB VAL A 36 22.660 -17.597 -0.713 1.00 32.22 C ATOM 553 CG1 VAL A 36 22.958 -19.082 -0.574 1.00 34.41 C ATOM 554 CG2 VAL A 36 21.160 -17.346 -0.742 1.00 72.22 C ATOM 0 H VAL A 36 21.578 -16.693 1.599 1.00 3.31 H new ATOM 0 HA VAL A 36 24.313 -17.206 0.620 1.00 74.51 H new ATOM 0 HB VAL A 36 23.081 -17.254 -1.658 1.00 32.22 H new ATOM 0 HG11 VAL A 36 22.486 -19.626 -1.392 1.00 34.41 H new ATOM 0 HG12 VAL A 36 24.036 -19.241 -0.606 1.00 34.41 H new ATOM 0 HG13 VAL A 36 22.566 -19.444 0.376 1.00 34.41 H new ATOM 0 HG21 VAL A 36 20.712 -17.914 -1.557 1.00 72.22 H new ATOM 0 HG22 VAL A 36 20.720 -17.661 0.204 1.00 72.22 H new ATOM 0 HG23 VAL A 36 20.972 -16.283 -0.894 1.00 72.22 H new ATOM 564 N PRO A 37 24.471 -15.031 -0.771 1.00 54.22 N ATOM 565 CA PRO A 37 24.719 -13.669 -1.252 1.00 41.44 C ATOM 566 C PRO A 37 23.678 -13.215 -2.270 1.00 44.52 C ATOM 567 O PRO A 37 23.119 -14.028 -3.007 1.00 5.44 O ATOM 568 CB PRO A 37 26.099 -13.770 -1.907 1.00 51.13 C ATOM 569 CG PRO A 37 26.227 -15.201 -2.301 1.00 40.14 C ATOM 570 CD PRO A 37 25.480 -15.986 -1.259 1.00 54.12 C ATOM 0 HA PRO A 37 24.667 -12.936 -0.447 1.00 41.44 H new ATOM 0 HB2 PRO A 37 26.175 -13.113 -2.773 1.00 51.13 H new ATOM 0 HB3 PRO A 37 26.888 -13.478 -1.214 1.00 51.13 H new ATOM 0 HG2 PRO A 37 25.808 -15.372 -3.293 1.00 40.14 H new ATOM 0 HG3 PRO A 37 27.274 -15.503 -2.341 1.00 40.14 H new ATOM 0 HD2 PRO A 37 25.018 -16.878 -1.682 1.00 54.12 H new ATOM 0 HD3 PRO A 37 26.139 -16.319 -0.457 1.00 54.12 H new ATOM 578 N VAL A 38 23.423 -11.911 -2.307 1.00 13.41 N ATOM 579 CA VAL A 38 22.450 -11.348 -3.236 1.00 31.11 C ATOM 580 C VAL A 38 22.877 -11.574 -4.682 1.00 35.40 C ATOM 581 O VAL A 38 22.039 -11.665 -5.580 1.00 43.10 O ATOM 582 CB VAL A 38 22.256 -9.838 -3.000 1.00 30.53 C ATOM 583 CG1 VAL A 38 21.853 -9.571 -1.557 1.00 41.05 C ATOM 584 CG2 VAL A 38 23.523 -9.076 -3.358 1.00 72.41 C ATOM 0 H VAL A 38 23.877 -11.224 -1.704 1.00 13.41 H new ATOM 0 HA VAL A 38 21.505 -11.861 -3.054 1.00 31.11 H new ATOM 0 HB VAL A 38 21.453 -9.486 -3.648 1.00 30.53 H new ATOM 0 HG11 VAL A 38 21.720 -8.499 -1.409 1.00 41.05 H new ATOM 0 HG12 VAL A 38 20.917 -10.086 -1.339 1.00 41.05 H new ATOM 0 HG13 VAL A 38 22.632 -9.936 -0.888 1.00 41.05 H new ATOM 0 HG21 VAL A 38 23.368 -8.011 -3.185 1.00 72.41 H new ATOM 0 HG22 VAL A 38 24.347 -9.428 -2.737 1.00 72.41 H new ATOM 0 HG23 VAL A 38 23.763 -9.242 -4.408 1.00 72.41 H new ATOM 594 N ASP A 39 24.184 -11.665 -4.900 1.00 32.31 N ATOM 595 CA ASP A 39 24.723 -11.883 -6.237 1.00 53.24 C ATOM 596 C ASP A 39 24.226 -13.205 -6.815 1.00 2.41 C ATOM 597 O ASP A 39 24.237 -13.405 -8.029 1.00 52.41 O ATOM 598 CB ASP A 39 26.252 -11.869 -6.203 1.00 33.32 C ATOM 599 CG ASP A 39 26.815 -12.810 -5.156 1.00 64.10 C ATOM 600 OD1 ASP A 39 27.651 -12.362 -4.343 1.00 43.34 O ATOM 601 OD2 ASP A 39 26.420 -13.994 -5.149 1.00 21.41 O ATOM 0 H ASP A 39 24.890 -11.591 -4.168 1.00 32.31 H new ATOM 0 HA ASP A 39 24.375 -11.073 -6.878 1.00 53.24 H new ATOM 0 HB2 ASP A 39 26.637 -12.148 -7.184 1.00 33.32 H new ATOM 0 HB3 ASP A 39 26.599 -10.856 -6.001 1.00 33.32 H new ATOM 606 N GLN A 40 23.793 -14.103 -5.936 1.00 64.12 N ATOM 607 CA GLN A 40 23.295 -15.406 -6.360 1.00 20.34 C ATOM 608 C GLN A 40 21.822 -15.327 -6.746 1.00 12.53 C ATOM 609 O GLN A 40 21.295 -16.220 -7.408 1.00 25.41 O ATOM 610 CB GLN A 40 23.487 -16.436 -5.245 1.00 23.11 C ATOM 611 CG GLN A 40 24.877 -17.052 -5.219 1.00 33.22 C ATOM 612 CD GLN A 40 25.121 -17.991 -6.384 1.00 34.34 C ATOM 613 OE1 GLN A 40 25.577 -17.573 -7.448 1.00 73.22 O ATOM 614 NE2 GLN A 40 24.817 -19.269 -6.188 1.00 24.24 N ATOM 0 H GLN A 40 23.777 -13.952 -4.927 1.00 64.12 H new ATOM 0 HA GLN A 40 23.865 -15.717 -7.235 1.00 20.34 H new ATOM 0 HB2 GLN A 40 23.292 -15.960 -4.284 1.00 23.11 H new ATOM 0 HB3 GLN A 40 22.749 -17.229 -5.364 1.00 23.11 H new ATOM 0 HG2 GLN A 40 25.623 -16.257 -5.235 1.00 33.22 H new ATOM 0 HG3 GLN A 40 25.012 -17.596 -4.284 1.00 33.22 H new ATOM 0 HE21 GLN A 40 24.441 -19.572 -5.289 1.00 24.24 H new ATOM 0 HE22 GLN A 40 24.959 -19.948 -6.936 1.00 24.24 H new ATOM 623 N GLN A 41 21.163 -14.251 -6.327 1.00 12.01 N ATOM 624 CA GLN A 41 19.750 -14.056 -6.629 1.00 34.04 C ATOM 625 C GLN A 41 19.572 -13.136 -7.832 1.00 33.01 C ATOM 626 O GLN A 41 20.407 -12.270 -8.093 1.00 25.44 O ATOM 627 CB GLN A 41 19.023 -13.474 -5.415 1.00 31.11 C ATOM 628 CG GLN A 41 18.709 -14.504 -4.342 1.00 23.30 C ATOM 629 CD GLN A 41 17.709 -15.545 -4.806 1.00 42.33 C ATOM 630 OE1 GLN A 41 17.969 -16.746 -4.738 1.00 21.30 O ATOM 631 NE2 GLN A 41 16.557 -15.088 -5.282 1.00 51.53 N ATOM 0 H GLN A 41 21.585 -13.502 -5.778 1.00 12.01 H new ATOM 0 HA GLN A 41 19.319 -15.027 -6.871 1.00 34.04 H new ATOM 0 HB2 GLN A 41 19.635 -12.684 -4.980 1.00 31.11 H new ATOM 0 HB3 GLN A 41 18.093 -13.012 -5.746 1.00 31.11 H new ATOM 0 HG2 GLN A 41 19.631 -15.001 -4.040 1.00 23.30 H new ATOM 0 HG3 GLN A 41 18.317 -13.997 -3.461 1.00 23.30 H new ATOM 0 HE21 GLN A 41 16.383 -14.084 -5.320 1.00 51.53 H new ATOM 0 HE22 GLN A 41 15.845 -15.741 -5.610 1.00 51.53 H new ATOM 640 N ARG A 42 18.478 -13.330 -8.562 1.00 43.40 N ATOM 641 CA ARG A 42 18.192 -12.518 -9.739 1.00 32.11 C ATOM 642 C ARG A 42 16.741 -12.045 -9.733 1.00 60.33 C ATOM 643 O ARG A 42 15.864 -12.705 -9.173 1.00 41.52 O ATOM 644 CB ARG A 42 18.475 -13.314 -11.014 1.00 42.35 C ATOM 645 CG ARG A 42 19.288 -12.545 -12.044 1.00 33.13 C ATOM 646 CD ARG A 42 19.168 -13.168 -13.426 1.00 13.31 C ATOM 647 NE ARG A 42 20.474 -13.478 -14.002 1.00 14.13 N ATOM 648 CZ ARG A 42 21.208 -14.523 -13.637 1.00 1.23 C ATOM 649 NH1 ARG A 42 20.767 -15.354 -12.702 1.00 51.43 N ATOM 650 NH2 ARG A 42 22.387 -14.739 -14.207 1.00 54.42 N ATOM 0 H ARG A 42 17.776 -14.042 -8.359 1.00 43.40 H new ATOM 0 HA ARG A 42 18.841 -11.643 -9.713 1.00 32.11 H new ATOM 0 HB2 ARG A 42 19.008 -14.228 -10.751 1.00 42.35 H new ATOM 0 HB3 ARG A 42 17.528 -13.615 -11.462 1.00 42.35 H new ATOM 0 HG2 ARG A 42 18.947 -11.510 -12.079 1.00 33.13 H new ATOM 0 HG3 ARG A 42 20.335 -12.526 -11.742 1.00 33.13 H new ATOM 0 HD2 ARG A 42 18.574 -14.080 -13.362 1.00 13.31 H new ATOM 0 HD3 ARG A 42 18.633 -12.485 -14.086 1.00 13.31 H new ATOM 0 HE ARG A 42 20.842 -12.858 -14.724 1.00 14.13 H new ATOM 0 HH11 ARG A 42 19.862 -15.191 -12.261 1.00 51.43 H new ATOM 0 HH12 ARG A 42 21.333 -16.156 -12.424 1.00 51.43 H new ATOM 0 HH21 ARG A 42 22.730 -14.102 -14.926 1.00 54.42 H new ATOM 0 HH22 ARG A 42 22.950 -15.542 -13.926 1.00 54.42 H new ATOM 664 N LEU A 43 16.495 -10.900 -10.359 1.00 43.33 N ATOM 665 CA LEU A 43 15.151 -10.338 -10.426 1.00 52.45 C ATOM 666 C LEU A 43 14.820 -9.885 -11.845 1.00 41.01 C ATOM 667 O LEU A 43 15.606 -9.182 -12.482 1.00 33.32 O ATOM 668 CB LEU A 43 15.020 -9.160 -9.460 1.00 4.45 C ATOM 669 CG LEU A 43 14.682 -9.514 -8.011 1.00 64.31 C ATOM 670 CD1 LEU A 43 14.768 -8.281 -7.126 1.00 10.05 C ATOM 671 CD2 LEU A 43 13.298 -10.140 -7.924 1.00 61.44 C ATOM 0 H LEU A 43 17.209 -10.342 -10.828 1.00 43.33 H new ATOM 0 HA LEU A 43 14.444 -11.116 -10.138 1.00 52.45 H new ATOM 0 HB2 LEU A 43 15.957 -8.604 -9.468 1.00 4.45 H new ATOM 0 HB3 LEU A 43 14.248 -8.490 -9.839 1.00 4.45 H new ATOM 0 HG LEU A 43 15.411 -10.242 -7.656 1.00 64.31 H new ATOM 0 HD11 LEU A 43 14.524 -8.553 -6.099 1.00 10.05 H new ATOM 0 HD12 LEU A 43 15.779 -7.876 -7.164 1.00 10.05 H new ATOM 0 HD13 LEU A 43 14.062 -7.529 -7.480 1.00 10.05 H new ATOM 0 HD21 LEU A 43 13.074 -10.385 -6.886 1.00 61.44 H new ATOM 0 HD22 LEU A 43 12.556 -9.435 -8.298 1.00 61.44 H new ATOM 0 HD23 LEU A 43 13.271 -11.049 -8.526 1.00 61.44 H new ATOM 683 N ILE A 44 13.652 -10.290 -12.333 1.00 25.32 N ATOM 684 CA ILE A 44 13.217 -9.923 -13.674 1.00 71.45 C ATOM 685 C ILE A 44 11.761 -9.469 -13.675 1.00 3.12 C ATOM 686 O ILE A 44 10.925 -10.028 -12.965 1.00 71.12 O ATOM 687 CB ILE A 44 13.377 -11.097 -14.659 1.00 13.11 C ATOM 688 CG1 ILE A 44 14.832 -11.567 -14.694 1.00 43.11 C ATOM 689 CG2 ILE A 44 12.912 -10.689 -16.049 1.00 63.11 C ATOM 690 CD1 ILE A 44 15.127 -12.694 -13.729 1.00 71.13 C ATOM 0 H ILE A 44 12.991 -10.872 -11.819 1.00 25.32 H new ATOM 0 HA ILE A 44 13.853 -9.099 -13.997 1.00 71.45 H new ATOM 0 HB ILE A 44 12.756 -11.925 -14.318 1.00 13.11 H new ATOM 0 HG12 ILE A 44 15.076 -11.892 -15.705 1.00 43.11 H new ATOM 0 HG13 ILE A 44 15.483 -10.724 -14.465 1.00 43.11 H new ATOM 0 HG21 ILE A 44 13.031 -11.529 -16.734 1.00 63.11 H new ATOM 0 HG22 ILE A 44 11.862 -10.398 -16.011 1.00 63.11 H new ATOM 0 HG23 ILE A 44 13.509 -9.847 -16.400 1.00 63.11 H new ATOM 0 HD11 ILE A 44 16.177 -12.976 -13.809 1.00 71.13 H new ATOM 0 HD12 ILE A 44 14.915 -12.366 -12.711 1.00 71.13 H new ATOM 0 HD13 ILE A 44 14.502 -13.553 -13.971 1.00 71.13 H new ATOM 702 N PHE A 45 11.465 -8.452 -14.477 1.00 51.21 N ATOM 703 CA PHE A 45 10.109 -7.922 -14.571 1.00 65.01 C ATOM 704 C PHE A 45 9.663 -7.826 -16.027 1.00 51.00 C ATOM 705 O PHE A 45 10.124 -6.963 -16.773 1.00 40.12 O ATOM 706 CB PHE A 45 10.031 -6.545 -13.910 1.00 14.53 C ATOM 707 CG PHE A 45 8.626 -6.099 -13.618 1.00 61.03 C ATOM 708 CD1 PHE A 45 7.743 -5.826 -14.651 1.00 24.32 C ATOM 709 CD2 PHE A 45 8.189 -5.952 -12.312 1.00 32.53 C ATOM 710 CE1 PHE A 45 6.450 -5.417 -14.386 1.00 41.52 C ATOM 711 CE2 PHE A 45 6.897 -5.543 -12.041 1.00 33.50 C ATOM 712 CZ PHE A 45 6.027 -5.274 -13.079 1.00 53.04 C ATOM 0 H PHE A 45 12.145 -7.978 -15.071 1.00 51.21 H new ATOM 0 HA PHE A 45 9.440 -8.606 -14.049 1.00 65.01 H new ATOM 0 HB2 PHE A 45 10.598 -6.565 -12.979 1.00 14.53 H new ATOM 0 HB3 PHE A 45 10.509 -5.811 -14.559 1.00 14.53 H new ATOM 0 HD1 PHE A 45 8.069 -5.934 -15.675 1.00 24.32 H new ATOM 0 HD2 PHE A 45 8.866 -6.159 -11.496 1.00 32.53 H new ATOM 0 HE1 PHE A 45 5.771 -5.209 -15.200 1.00 41.52 H new ATOM 0 HE2 PHE A 45 6.568 -5.434 -11.018 1.00 33.50 H new ATOM 0 HZ PHE A 45 5.018 -4.952 -12.869 1.00 53.04 H new ATOM 722 N ALA A 46 8.762 -8.719 -16.424 1.00 23.34 N ATOM 723 CA ALA A 46 8.252 -8.735 -17.789 1.00 32.22 C ATOM 724 C ALA A 46 9.389 -8.837 -18.799 1.00 45.51 C ATOM 725 O ALA A 46 9.281 -8.346 -19.922 1.00 73.53 O ATOM 726 CB ALA A 46 7.417 -7.491 -18.054 1.00 73.44 C ATOM 0 H ALA A 46 8.370 -9.441 -15.819 1.00 23.34 H new ATOM 0 HA ALA A 46 7.620 -9.615 -17.904 1.00 32.22 H new ATOM 0 HB1 ALA A 46 7.042 -7.516 -19.077 1.00 73.44 H new ATOM 0 HB2 ALA A 46 6.577 -7.462 -17.360 1.00 73.44 H new ATOM 0 HB3 ALA A 46 8.033 -6.603 -17.915 1.00 73.44 H new ATOM 732 N GLY A 47 10.482 -9.476 -18.392 1.00 11.35 N ATOM 733 CA GLY A 47 11.624 -9.629 -19.273 1.00 43.43 C ATOM 734 C GLY A 47 12.632 -8.507 -19.117 1.00 54.31 C ATOM 735 O GLY A 47 13.480 -8.298 -19.985 1.00 32.02 O ATOM 0 H GLY A 47 10.596 -9.890 -17.467 1.00 11.35 H new ATOM 0 HA2 GLY A 47 12.112 -10.582 -19.068 1.00 43.43 H new ATOM 0 HA3 GLY A 47 11.280 -9.663 -20.307 1.00 43.43 H new ATOM 739 N LYS A 48 12.539 -7.780 -18.008 1.00 75.35 N ATOM 740 CA LYS A 48 13.448 -6.673 -17.740 1.00 40.44 C ATOM 741 C LYS A 48 14.228 -6.909 -16.451 1.00 15.44 C ATOM 742 O LYS A 48 13.642 -7.037 -15.376 1.00 75.22 O ATOM 743 CB LYS A 48 12.670 -5.358 -17.645 1.00 72.32 C ATOM 744 CG LYS A 48 12.083 -4.902 -18.970 1.00 10.34 C ATOM 745 CD LYS A 48 10.692 -5.472 -19.190 1.00 20.43 C ATOM 746 CE LYS A 48 10.118 -5.041 -20.531 1.00 24.23 C ATOM 747 NZ LYS A 48 9.608 -3.643 -20.492 1.00 1.31 N ATOM 0 H LYS A 48 11.842 -7.939 -17.280 1.00 75.35 H new ATOM 0 HA LYS A 48 14.156 -6.610 -18.566 1.00 40.44 H new ATOM 0 HB2 LYS A 48 11.864 -5.474 -16.921 1.00 72.32 H new ATOM 0 HB3 LYS A 48 13.332 -4.581 -17.264 1.00 72.32 H new ATOM 0 HG2 LYS A 48 12.039 -3.813 -18.994 1.00 10.34 H new ATOM 0 HG3 LYS A 48 12.737 -5.212 -19.785 1.00 10.34 H new ATOM 0 HD2 LYS A 48 10.732 -6.560 -19.143 1.00 20.43 H new ATOM 0 HD3 LYS A 48 10.032 -5.143 -18.388 1.00 20.43 H new ATOM 0 HE2 LYS A 48 10.887 -5.126 -21.299 1.00 24.23 H new ATOM 0 HE3 LYS A 48 9.309 -5.715 -20.813 1.00 24.23 H new ATOM 0 HZ1 LYS A 48 9.225 -3.387 -21.424 1.00 1.31 H new ATOM 0 HZ2 LYS A 48 8.857 -3.567 -19.777 1.00 1.31 H new ATOM 0 HZ3 LYS A 48 10.385 -2.997 -20.248 1.00 1.31 H new ATOM 761 N GLN A 49 15.551 -6.963 -16.566 1.00 15.24 N ATOM 762 CA GLN A 49 16.409 -7.182 -15.408 1.00 21.43 C ATOM 763 C GLN A 49 16.498 -5.925 -14.549 1.00 55.03 C ATOM 764 O GLN A 49 16.786 -4.837 -15.050 1.00 70.34 O ATOM 765 CB GLN A 49 17.808 -7.607 -15.857 1.00 43.00 C ATOM 766 CG GLN A 49 17.838 -8.952 -16.566 1.00 11.43 C ATOM 767 CD GLN A 49 18.958 -9.051 -17.583 1.00 15.41 C ATOM 768 OE1 GLN A 49 20.077 -8.599 -17.337 1.00 75.25 O ATOM 769 NE2 GLN A 49 18.662 -9.644 -18.734 1.00 14.35 N ATOM 0 H GLN A 49 16.052 -6.858 -17.449 1.00 15.24 H new ATOM 0 HA GLN A 49 15.969 -7.979 -14.808 1.00 21.43 H new ATOM 0 HB2 GLN A 49 18.214 -6.846 -16.523 1.00 43.00 H new ATOM 0 HB3 GLN A 49 18.462 -7.650 -14.986 1.00 43.00 H new ATOM 0 HG2 GLN A 49 17.952 -9.745 -15.827 1.00 11.43 H new ATOM 0 HG3 GLN A 49 16.883 -9.116 -17.066 1.00 11.43 H new ATOM 0 HE21 GLN A 49 17.721 -10.004 -18.895 1.00 14.35 H new ATOM 0 HE22 GLN A 49 19.375 -9.739 -19.457 1.00 14.35 H new ATOM 778 N LEU A 50 16.247 -6.080 -13.254 1.00 23.31 N ATOM 779 CA LEU A 50 16.298 -4.957 -12.325 1.00 3.13 C ATOM 780 C LEU A 50 17.621 -4.938 -11.565 1.00 32.20 C ATOM 781 O LEU A 50 18.080 -5.969 -11.075 1.00 31.13 O ATOM 782 CB LEU A 50 15.131 -5.032 -11.338 1.00 45.14 C ATOM 783 CG LEU A 50 13.799 -5.518 -11.910 1.00 43.15 C ATOM 784 CD1 LEU A 50 12.703 -5.429 -10.860 1.00 40.42 C ATOM 785 CD2 LEU A 50 13.424 -4.712 -13.146 1.00 32.52 C ATOM 0 H LEU A 50 16.006 -6.973 -12.823 1.00 23.31 H new ATOM 0 HA LEU A 50 16.219 -4.036 -12.903 1.00 3.13 H new ATOM 0 HB2 LEU A 50 15.415 -5.694 -10.520 1.00 45.14 H new ATOM 0 HB3 LEU A 50 14.980 -4.041 -10.909 1.00 45.14 H new ATOM 0 HG LEU A 50 13.910 -6.562 -12.202 1.00 43.15 H new ATOM 0 HD11 LEU A 50 11.762 -5.779 -11.285 1.00 40.42 H new ATOM 0 HD12 LEU A 50 12.968 -6.050 -10.004 1.00 40.42 H new ATOM 0 HD13 LEU A 50 12.592 -4.394 -10.537 1.00 40.42 H new ATOM 0 HD21 LEU A 50 12.473 -5.071 -13.540 1.00 32.52 H new ATOM 0 HD22 LEU A 50 13.332 -3.659 -12.880 1.00 32.52 H new ATOM 0 HD23 LEU A 50 14.198 -4.828 -13.905 1.00 32.52 H new ATOM 797 N GLU A 51 18.227 -3.759 -11.470 1.00 55.43 N ATOM 798 CA GLU A 51 19.496 -3.606 -10.769 1.00 33.44 C ATOM 799 C GLU A 51 19.283 -3.001 -9.384 1.00 73.21 C ATOM 800 O GLU A 51 18.254 -2.380 -9.118 1.00 34.20 O ATOM 801 CB GLU A 51 20.450 -2.728 -11.580 1.00 3.01 C ATOM 802 CG GLU A 51 20.682 -3.228 -12.996 1.00 2.40 C ATOM 803 CD GLU A 51 21.611 -2.327 -13.788 1.00 33.34 C ATOM 804 OE1 GLU A 51 21.106 -1.518 -14.594 1.00 61.34 O ATOM 805 OE2 GLU A 51 22.841 -2.432 -13.601 1.00 11.51 O ATOM 0 H GLU A 51 17.859 -2.896 -11.870 1.00 55.43 H new ATOM 0 HA GLU A 51 19.938 -4.595 -10.650 1.00 33.44 H new ATOM 0 HB2 GLU A 51 20.050 -1.715 -11.622 1.00 3.01 H new ATOM 0 HB3 GLU A 51 21.407 -2.672 -11.062 1.00 3.01 H new ATOM 0 HG2 GLU A 51 21.102 -4.233 -12.958 1.00 2.40 H new ATOM 0 HG3 GLU A 51 19.725 -3.301 -13.513 1.00 2.40 H new ATOM 812 N ASP A 52 20.262 -3.188 -8.507 1.00 4.35 N ATOM 813 CA ASP A 52 20.184 -2.660 -7.149 1.00 73.32 C ATOM 814 C ASP A 52 19.947 -1.153 -7.165 1.00 34.44 C ATOM 815 O ASP A 52 19.418 -0.588 -6.207 1.00 64.40 O ATOM 816 CB ASP A 52 21.467 -2.979 -6.380 1.00 74.50 C ATOM 817 CG ASP A 52 22.571 -1.977 -6.655 1.00 33.54 C ATOM 818 OD1 ASP A 52 22.532 -0.876 -6.067 1.00 43.21 O ATOM 819 OD2 ASP A 52 23.474 -2.295 -7.456 1.00 73.22 O ATOM 0 H ASP A 52 21.119 -3.701 -8.711 1.00 4.35 H new ATOM 0 HA ASP A 52 19.342 -3.137 -6.648 1.00 73.32 H new ATOM 0 HB2 ASP A 52 21.252 -2.995 -5.311 1.00 74.50 H new ATOM 0 HB3 ASP A 52 21.811 -3.977 -6.651 1.00 74.50 H new ATOM 824 N SER A 53 20.342 -0.508 -8.258 1.00 32.45 N ATOM 825 CA SER A 53 20.177 0.934 -8.396 1.00 32.23 C ATOM 826 C SER A 53 18.899 1.264 -9.161 1.00 61.43 C ATOM 827 O SER A 53 18.792 2.317 -9.790 1.00 70.43 O ATOM 828 CB SER A 53 21.385 1.540 -9.112 1.00 0.30 C ATOM 829 OG SER A 53 22.595 1.173 -8.472 1.00 13.34 O ATOM 0 H SER A 53 20.779 -0.961 -9.061 1.00 32.45 H new ATOM 0 HA SER A 53 20.102 1.364 -7.397 1.00 32.23 H new ATOM 0 HB2 SER A 53 21.403 1.205 -10.149 1.00 0.30 H new ATOM 0 HB3 SER A 53 21.294 2.626 -9.129 1.00 0.30 H new ATOM 0 HG SER A 53 22.394 0.653 -7.666 1.00 13.34 H new ATOM 835 N LYS A 54 17.931 0.355 -9.103 1.00 41.24 N ATOM 836 CA LYS A 54 16.659 0.547 -9.789 1.00 52.42 C ATOM 837 C LYS A 54 15.494 0.110 -8.907 1.00 52.01 C ATOM 838 O LYS A 54 15.343 -1.073 -8.601 1.00 31.23 O ATOM 839 CB LYS A 54 16.640 -0.238 -11.103 1.00 4.52 C ATOM 840 CG LYS A 54 17.666 0.245 -12.114 1.00 55.43 C ATOM 841 CD LYS A 54 17.482 -0.433 -13.462 1.00 14.43 C ATOM 842 CE LYS A 54 18.172 0.342 -14.574 1.00 73.11 C ATOM 843 NZ LYS A 54 18.415 -0.507 -15.773 1.00 75.30 N ATOM 0 H LYS A 54 18.004 -0.522 -8.588 1.00 41.24 H new ATOM 0 HA LYS A 54 16.549 1.609 -10.006 1.00 52.42 H new ATOM 0 HB2 LYS A 54 16.820 -1.292 -10.890 1.00 4.52 H new ATOM 0 HB3 LYS A 54 15.646 -0.168 -11.544 1.00 4.52 H new ATOM 0 HG2 LYS A 54 17.580 1.325 -12.234 1.00 55.43 H new ATOM 0 HG3 LYS A 54 18.670 0.045 -11.739 1.00 55.43 H new ATOM 0 HD2 LYS A 54 17.884 -1.445 -13.419 1.00 14.43 H new ATOM 0 HD3 LYS A 54 16.419 -0.521 -13.684 1.00 14.43 H new ATOM 0 HE2 LYS A 54 17.559 1.199 -14.854 1.00 73.11 H new ATOM 0 HE3 LYS A 54 19.121 0.735 -14.208 1.00 73.11 H new ATOM 0 HZ1 LYS A 54 18.445 0.092 -16.622 1.00 75.30 H new ATOM 0 HZ2 LYS A 54 19.322 -1.004 -15.668 1.00 75.30 H new ATOM 0 HZ3 LYS A 54 17.648 -1.203 -15.867 1.00 75.30 H new ATOM 857 N THR A 55 14.670 1.072 -8.502 1.00 63.00 N ATOM 858 CA THR A 55 13.519 0.786 -7.656 1.00 13.12 C ATOM 859 C THR A 55 12.244 0.670 -8.483 1.00 54.31 C ATOM 860 O THR A 55 12.258 0.882 -9.695 1.00 52.12 O ATOM 861 CB THR A 55 13.325 1.876 -6.584 1.00 73.52 C ATOM 862 OG1 THR A 55 12.908 3.099 -7.200 1.00 3.52 O ATOM 863 CG2 THR A 55 14.612 2.105 -5.807 1.00 1.31 C ATOM 0 H THR A 55 14.779 2.056 -8.747 1.00 63.00 H new ATOM 0 HA THR A 55 13.717 -0.166 -7.164 1.00 13.12 H new ATOM 0 HB THR A 55 12.556 1.540 -5.889 1.00 73.52 H new ATOM 0 HG1 THR A 55 13.581 3.382 -7.854 1.00 3.52 H new ATOM 0 HG21 THR A 55 14.451 2.878 -5.056 1.00 1.31 H new ATOM 0 HG22 THR A 55 14.910 1.179 -5.316 1.00 1.31 H new ATOM 0 HG23 THR A 55 15.399 2.422 -6.492 1.00 1.31 H new ATOM 871 N MET A 56 11.142 0.334 -7.820 1.00 61.50 N ATOM 872 CA MET A 56 9.857 0.192 -8.495 1.00 64.24 C ATOM 873 C MET A 56 9.350 1.543 -8.987 1.00 54.52 C ATOM 874 O MET A 56 8.859 1.662 -10.110 1.00 25.33 O ATOM 875 CB MET A 56 8.830 -0.441 -7.555 1.00 12.31 C ATOM 876 CG MET A 56 9.255 -1.796 -7.013 1.00 52.04 C ATOM 877 SD MET A 56 8.975 -3.133 -8.190 1.00 75.11 S ATOM 878 CE MET A 56 10.353 -4.212 -7.811 1.00 34.44 C ATOM 0 H MET A 56 11.113 0.155 -6.816 1.00 61.50 H new ATOM 0 HA MET A 56 9.998 -0.459 -9.358 1.00 64.24 H new ATOM 0 HB2 MET A 56 8.650 0.235 -6.719 1.00 12.31 H new ATOM 0 HB3 MET A 56 7.884 -0.552 -8.085 1.00 12.31 H new ATOM 0 HG2 MET A 56 10.313 -1.763 -6.751 1.00 52.04 H new ATOM 0 HG3 MET A 56 8.706 -2.004 -6.095 1.00 52.04 H new ATOM 0 HE1 MET A 56 10.318 -5.088 -8.459 1.00 34.44 H new ATOM 0 HE2 MET A 56 11.289 -3.678 -7.973 1.00 34.44 H new ATOM 0 HE3 MET A 56 10.292 -4.528 -6.770 1.00 34.44 H new ATOM 888 N ALA A 57 9.470 2.560 -8.139 1.00 62.15 N ATOM 889 CA ALA A 57 9.025 3.903 -8.489 1.00 51.12 C ATOM 890 C ALA A 57 9.689 4.385 -9.774 1.00 64.55 C ATOM 891 O ALA A 57 9.149 5.233 -10.484 1.00 34.00 O ATOM 892 CB ALA A 57 9.314 4.869 -7.349 1.00 65.54 C ATOM 0 H ALA A 57 9.872 2.479 -7.205 1.00 62.15 H new ATOM 0 HA ALA A 57 7.949 3.869 -8.658 1.00 51.12 H new ATOM 0 HB1 ALA A 57 8.976 5.868 -7.624 1.00 65.54 H new ATOM 0 HB2 ALA A 57 8.787 4.542 -6.453 1.00 65.54 H new ATOM 0 HB3 ALA A 57 10.386 4.890 -7.152 1.00 65.54 H new ATOM 898 N ASP A 58 10.864 3.838 -10.068 1.00 3.52 N ATOM 899 CA ASP A 58 11.603 4.212 -11.269 1.00 13.35 C ATOM 900 C ASP A 58 11.003 3.548 -12.504 1.00 25.30 C ATOM 901 O ASP A 58 10.926 4.155 -13.572 1.00 54.30 O ATOM 902 CB ASP A 58 13.075 3.824 -11.129 1.00 25.11 C ATOM 903 CG ASP A 58 13.892 4.893 -10.430 1.00 23.22 C ATOM 904 OD1 ASP A 58 14.575 5.670 -11.129 1.00 45.21 O ATOM 905 OD2 ASP A 58 13.848 4.952 -9.183 1.00 52.54 O ATOM 0 H ASP A 58 11.325 3.134 -9.491 1.00 3.52 H new ATOM 0 HA ASP A 58 11.531 5.293 -11.389 1.00 13.35 H new ATOM 0 HB2 ASP A 58 13.150 2.891 -10.571 1.00 25.11 H new ATOM 0 HB3 ASP A 58 13.494 3.639 -12.118 1.00 25.11 H new ATOM 910 N TYR A 59 10.583 2.297 -12.351 1.00 54.11 N ATOM 911 CA TYR A 59 9.994 1.549 -13.455 1.00 74.40 C ATOM 912 C TYR A 59 8.494 1.813 -13.554 1.00 44.22 C ATOM 913 O TYR A 59 7.833 1.357 -14.486 1.00 13.24 O ATOM 914 CB TYR A 59 10.248 0.051 -13.276 1.00 73.22 C ATOM 915 CG TYR A 59 11.545 -0.421 -13.893 1.00 22.14 C ATOM 916 CD1 TYR A 59 11.677 -0.547 -15.270 1.00 41.12 C ATOM 917 CD2 TYR A 59 12.639 -0.742 -13.098 1.00 33.10 C ATOM 918 CE1 TYR A 59 12.860 -0.978 -15.838 1.00 23.30 C ATOM 919 CE2 TYR A 59 13.826 -1.173 -13.657 1.00 41.21 C ATOM 920 CZ TYR A 59 13.932 -1.290 -15.027 1.00 50.54 C ATOM 921 OH TYR A 59 15.113 -1.720 -15.588 1.00 53.31 O ATOM 0 H TYR A 59 10.640 1.780 -11.474 1.00 54.11 H new ATOM 0 HA TYR A 59 10.465 1.884 -14.379 1.00 74.40 H new ATOM 0 HB2 TYR A 59 10.255 -0.183 -12.211 1.00 73.22 H new ATOM 0 HB3 TYR A 59 9.421 -0.505 -13.719 1.00 73.22 H new ATOM 0 HD1 TYR A 59 10.840 -0.304 -15.908 1.00 41.12 H new ATOM 0 HD2 TYR A 59 12.559 -0.653 -12.025 1.00 33.10 H new ATOM 0 HE1 TYR A 59 12.945 -1.070 -16.911 1.00 23.30 H new ATOM 0 HE2 TYR A 59 14.667 -1.417 -13.025 1.00 41.21 H new ATOM 0 HH TYR A 59 15.217 -1.321 -16.477 1.00 53.31 H new ATOM 931 N ASN A 60 7.966 2.555 -12.586 1.00 32.40 N ATOM 932 CA ASN A 60 6.545 2.881 -12.563 1.00 14.21 C ATOM 933 C ASN A 60 5.698 1.619 -12.431 1.00 23.40 C ATOM 934 O ASN A 60 4.579 1.553 -12.941 1.00 44.31 O ATOM 935 CB ASN A 60 6.154 3.640 -13.833 1.00 12.35 C ATOM 936 CG ASN A 60 7.193 4.669 -14.234 1.00 61.02 C ATOM 937 OD1 ASN A 60 7.580 5.521 -13.435 1.00 2.43 O ATOM 938 ND2 ASN A 60 7.650 4.593 -15.479 1.00 10.42 N ATOM 0 H ASN A 60 8.500 2.942 -11.808 1.00 32.40 H new ATOM 0 HA ASN A 60 6.358 3.515 -11.696 1.00 14.21 H new ATOM 0 HB2 ASN A 60 6.015 2.931 -14.649 1.00 12.35 H new ATOM 0 HB3 ASN A 60 5.196 4.137 -13.676 1.00 12.35 H new ATOM 0 HD21 ASN A 60 8.351 5.258 -15.807 1.00 10.42 H new ATOM 0 HD22 ASN A 60 7.300 3.870 -16.107 1.00 10.42 H new ATOM 945 N ILE A 61 6.240 0.619 -11.743 1.00 40.13 N ATOM 946 CA ILE A 61 5.534 -0.640 -11.543 1.00 22.41 C ATOM 947 C ILE A 61 5.080 -0.792 -10.095 1.00 51.42 C ATOM 948 O ILE A 61 5.901 -0.911 -9.187 1.00 21.55 O ATOM 949 CB ILE A 61 6.415 -1.846 -11.921 1.00 41.33 C ATOM 950 CG1 ILE A 61 7.829 -1.666 -11.365 1.00 62.24 C ATOM 951 CG2 ILE A 61 6.452 -2.021 -13.432 1.00 43.11 C ATOM 952 CD1 ILE A 61 8.742 -2.840 -11.644 1.00 53.02 C ATOM 0 H ILE A 61 7.165 0.657 -11.315 1.00 40.13 H new ATOM 0 HA ILE A 61 4.661 -0.619 -12.195 1.00 22.41 H new ATOM 0 HB ILE A 61 5.984 -2.745 -11.481 1.00 41.33 H new ATOM 0 HG12 ILE A 61 8.267 -0.765 -11.794 1.00 62.24 H new ATOM 0 HG13 ILE A 61 7.770 -1.510 -10.288 1.00 62.24 H new ATOM 0 HG21 ILE A 61 7.078 -2.877 -13.684 1.00 43.11 H new ATOM 0 HG22 ILE A 61 5.441 -2.189 -13.804 1.00 43.11 H new ATOM 0 HG23 ILE A 61 6.863 -1.123 -13.892 1.00 43.11 H new ATOM 0 HD11 ILE A 61 9.727 -2.643 -11.221 1.00 53.02 H new ATOM 0 HD12 ILE A 61 8.326 -3.740 -11.191 1.00 53.02 H new ATOM 0 HD13 ILE A 61 8.831 -2.984 -12.721 1.00 53.02 H new ATOM 964 N GLN A 62 3.767 -0.787 -9.889 1.00 52.12 N ATOM 965 CA GLN A 62 3.203 -0.925 -8.551 1.00 44.25 C ATOM 966 C GLN A 62 1.765 -1.427 -8.616 1.00 12.02 C ATOM 967 O GLN A 62 1.245 -1.719 -9.693 1.00 41.32 O ATOM 968 CB GLN A 62 3.256 0.413 -7.812 1.00 44.44 C ATOM 969 CG GLN A 62 4.605 0.702 -7.173 1.00 11.22 C ATOM 970 CD GLN A 62 4.498 1.633 -5.981 1.00 42.32 C ATOM 971 OE1 GLN A 62 4.642 1.080 -4.783 1.00 23.32 O flip ATOM 972 NE2 GLN A 62 4.288 2.837 -6.136 1.00 4.14 N flip ATOM 0 H GLN A 62 3.074 -0.689 -10.631 1.00 52.12 H new ATOM 0 HA GLN A 62 3.800 -1.657 -8.006 1.00 44.25 H new ATOM 0 HB2 GLN A 62 3.015 1.214 -8.511 1.00 44.44 H new ATOM 0 HB3 GLN A 62 2.488 0.422 -7.039 1.00 44.44 H new ATOM 0 HG2 GLN A 62 5.062 -0.236 -6.857 1.00 11.22 H new ATOM 0 HG3 GLN A 62 5.268 1.144 -7.917 1.00 11.22 H new ATOM 0 HE21 GLN A 62 4.184 3.220 -7.076 1.00 4.14 H new ATOM 0 HE22 GLN A 62 4.218 3.451 -5.325 1.00 4.14 H new ATOM 981 N LYS A 63 1.126 -1.526 -7.455 1.00 75.12 N ATOM 982 CA LYS A 63 -0.254 -1.992 -7.378 1.00 61.23 C ATOM 983 C LYS A 63 -0.379 -3.414 -7.917 1.00 4.13 C ATOM 984 O LYS A 63 -0.766 -3.619 -9.066 1.00 71.54 O ATOM 985 CB LYS A 63 -1.175 -1.056 -8.163 1.00 41.44 C ATOM 986 CG LYS A 63 -1.124 0.386 -7.689 1.00 3.42 C ATOM 987 CD LYS A 63 -1.217 1.360 -8.852 1.00 30.13 C ATOM 988 CE LYS A 63 -2.534 1.211 -9.599 1.00 3.44 C ATOM 989 NZ LYS A 63 -2.868 2.433 -10.382 1.00 10.23 N ATOM 0 H LYS A 63 1.542 -1.290 -6.554 1.00 75.12 H new ATOM 0 HA LYS A 63 -0.553 -1.991 -6.330 1.00 61.23 H new ATOM 0 HB2 LYS A 63 -0.903 -1.093 -9.218 1.00 41.44 H new ATOM 0 HB3 LYS A 63 -2.200 -1.419 -8.085 1.00 41.44 H new ATOM 0 HG2 LYS A 63 -1.942 0.570 -6.993 1.00 3.42 H new ATOM 0 HG3 LYS A 63 -0.196 0.558 -7.143 1.00 3.42 H new ATOM 0 HD2 LYS A 63 -1.121 2.381 -8.482 1.00 30.13 H new ATOM 0 HD3 LYS A 63 -0.387 1.190 -9.538 1.00 30.13 H new ATOM 0 HE2 LYS A 63 -2.476 0.354 -10.270 1.00 3.44 H new ATOM 0 HE3 LYS A 63 -3.334 1.005 -8.888 1.00 3.44 H new ATOM 0 HZ1 LYS A 63 -3.772 2.292 -10.877 1.00 10.23 H new ATOM 0 HZ2 LYS A 63 -2.948 3.246 -9.739 1.00 10.23 H new ATOM 0 HZ3 LYS A 63 -2.117 2.615 -11.078 1.00 10.23 H new ATOM 1003 N GLU A 64 -0.049 -4.391 -7.078 1.00 11.15 N ATOM 1004 CA GLU A 64 -0.126 -5.793 -7.471 1.00 5.02 C ATOM 1005 C GLU A 64 0.838 -6.090 -8.616 1.00 24.21 C ATOM 1006 O GLU A 64 0.642 -7.038 -9.376 1.00 63.22 O ATOM 1007 CB GLU A 64 -1.554 -6.152 -7.886 1.00 22.24 C ATOM 1008 CG GLU A 64 -2.617 -5.590 -6.957 1.00 20.11 C ATOM 1009 CD GLU A 64 -3.895 -6.406 -6.971 1.00 62.42 C ATOM 1010 OE1 GLU A 64 -4.459 -6.643 -5.882 1.00 63.53 O ATOM 1011 OE2 GLU A 64 -4.331 -6.808 -8.070 1.00 63.11 O ATOM 0 H GLU A 64 0.274 -4.237 -6.123 1.00 11.15 H new ATOM 0 HA GLU A 64 0.158 -6.401 -6.612 1.00 5.02 H new ATOM 0 HB2 GLU A 64 -1.734 -5.783 -8.896 1.00 22.24 H new ATOM 0 HB3 GLU A 64 -1.651 -7.237 -7.921 1.00 22.24 H new ATOM 0 HG2 GLU A 64 -2.224 -5.555 -5.941 1.00 20.11 H new ATOM 0 HG3 GLU A 64 -2.842 -4.564 -7.248 1.00 20.11 H new ATOM 1018 N SER A 65 1.880 -5.272 -8.732 1.00 73.43 N ATOM 1019 CA SER A 65 2.872 -5.444 -9.787 1.00 23.13 C ATOM 1020 C SER A 65 3.378 -6.883 -9.827 1.00 45.23 C ATOM 1021 O SER A 65 3.738 -7.457 -8.799 1.00 3.22 O ATOM 1022 CB SER A 65 4.045 -4.485 -9.574 1.00 12.24 C ATOM 1023 OG SER A 65 4.707 -4.752 -8.349 1.00 75.23 O ATOM 0 H SER A 65 2.059 -4.484 -8.109 1.00 73.43 H new ATOM 0 HA SER A 65 2.395 -5.218 -10.741 1.00 23.13 H new ATOM 0 HB2 SER A 65 4.750 -4.579 -10.400 1.00 12.24 H new ATOM 0 HB3 SER A 65 3.684 -3.457 -9.579 1.00 12.24 H new ATOM 0 HG SER A 65 5.453 -4.127 -8.238 1.00 75.23 H new ATOM 1029 N THR A 66 3.403 -7.461 -11.024 1.00 64.31 N ATOM 1030 CA THR A 66 3.864 -8.833 -11.201 1.00 13.24 C ATOM 1031 C THR A 66 5.383 -8.893 -11.315 1.00 13.53 C ATOM 1032 O THR A 66 5.974 -8.276 -12.202 1.00 53.31 O ATOM 1033 CB THR A 66 3.240 -9.478 -12.453 1.00 4.22 C ATOM 1034 OG1 THR A 66 3.772 -10.794 -12.642 1.00 34.01 O ATOM 1035 CG2 THR A 66 3.512 -8.633 -13.689 1.00 22.43 C ATOM 0 H THR A 66 3.109 -7.000 -11.885 1.00 64.31 H new ATOM 0 HA THR A 66 3.547 -9.389 -10.319 1.00 13.24 H new ATOM 0 HB THR A 66 2.162 -9.540 -12.305 1.00 4.22 H new ATOM 0 HG1 THR A 66 3.369 -11.198 -13.439 1.00 34.01 H new ATOM 0 HG21 THR A 66 3.062 -9.108 -14.561 1.00 22.43 H new ATOM 0 HG22 THR A 66 3.081 -7.641 -13.554 1.00 22.43 H new ATOM 0 HG23 THR A 66 4.588 -8.544 -13.839 1.00 22.43 H new ATOM 1043 N LEU A 67 6.010 -9.639 -10.412 1.00 40.15 N ATOM 1044 CA LEU A 67 7.462 -9.780 -10.412 1.00 70.24 C ATOM 1045 C LEU A 67 7.867 -11.245 -10.542 1.00 74.13 C ATOM 1046 O LEU A 67 7.058 -12.146 -10.314 1.00 45.13 O ATOM 1047 CB LEU A 67 8.052 -9.188 -9.131 1.00 74.02 C ATOM 1048 CG LEU A 67 8.606 -7.767 -9.242 1.00 31.24 C ATOM 1049 CD1 LEU A 67 8.392 -7.008 -7.941 1.00 60.31 C ATOM 1050 CD2 LEU A 67 10.083 -7.798 -9.607 1.00 11.23 C ATOM 0 H LEU A 67 5.536 -10.155 -9.671 1.00 40.15 H new ATOM 0 HA LEU A 67 7.855 -9.236 -11.271 1.00 70.24 H new ATOM 0 HB2 LEU A 67 7.280 -9.197 -8.361 1.00 74.02 H new ATOM 0 HB3 LEU A 67 8.853 -9.843 -8.787 1.00 74.02 H new ATOM 0 HG LEU A 67 8.067 -7.248 -10.035 1.00 31.24 H new ATOM 0 HD11 LEU A 67 8.792 -5.999 -8.038 1.00 60.31 H new ATOM 0 HD12 LEU A 67 7.326 -6.956 -7.721 1.00 60.31 H new ATOM 0 HD13 LEU A 67 8.904 -7.525 -7.130 1.00 60.31 H new ATOM 0 HD21 LEU A 67 10.461 -6.778 -9.682 1.00 11.23 H new ATOM 0 HD22 LEU A 67 10.637 -8.335 -8.837 1.00 11.23 H new ATOM 0 HD23 LEU A 67 10.211 -8.303 -10.564 1.00 11.23 H new ATOM 1062 N HIS A 68 9.123 -11.476 -10.908 1.00 65.41 N ATOM 1063 CA HIS A 68 9.637 -12.833 -11.065 1.00 53.34 C ATOM 1064 C HIS A 68 10.840 -13.067 -10.157 1.00 50.01 C ATOM 1065 O HIS A 68 11.739 -12.231 -10.075 1.00 25.21 O ATOM 1066 CB HIS A 68 10.025 -13.088 -12.522 1.00 1.20 C ATOM 1067 CG HIS A 68 8.882 -12.949 -13.480 1.00 30.32 C ATOM 1068 ND1 HIS A 68 8.065 -11.902 -13.737 1.00 21.41 N flip ATOM 1069 CD2 HIS A 68 8.466 -13.970 -14.308 1.00 53.53 C flip ATOM 1070 CE1 HIS A 68 7.180 -12.304 -14.707 1.00 34.13 C flip ATOM 1071 NE2 HIS A 68 7.444 -13.556 -15.035 1.00 71.02 N flip ATOM 0 H HIS A 68 9.804 -10.742 -11.102 1.00 65.41 H new ATOM 0 HA HIS A 68 8.848 -13.529 -10.780 1.00 53.34 H new ATOM 0 HB2 HIS A 68 10.813 -12.391 -12.807 1.00 1.20 H new ATOM 0 HB3 HIS A 68 10.440 -14.092 -12.608 1.00 1.20 H new ATOM 0 HD2 HIS A 68 8.907 -14.955 -14.355 1.00 53.53 H new ATOM 0 HE1 HIS A 68 6.396 -11.695 -15.132 1.00 34.13 H new ATOM 0 HE2 HIS A 68 6.944 -14.109 -15.731 1.00 71.02 H new ATOM 1079 N MET A 69 10.848 -14.209 -9.477 1.00 3.42 N ATOM 1080 CA MET A 69 11.942 -14.552 -8.575 1.00 34.31 C ATOM 1081 C MET A 69 12.561 -15.893 -8.957 1.00 53.02 C ATOM 1082 O MET A 69 11.852 -16.844 -9.288 1.00 52.40 O ATOM 1083 CB MET A 69 11.442 -14.601 -7.130 1.00 24.45 C ATOM 1084 CG MET A 69 12.560 -14.579 -6.100 1.00 1.25 C ATOM 1085 SD MET A 69 13.191 -16.225 -5.723 1.00 33.44 S ATOM 1086 CE MET A 69 12.365 -16.556 -4.168 1.00 21.40 C ATOM 0 H MET A 69 10.111 -14.912 -9.533 1.00 3.42 H new ATOM 0 HA MET A 69 12.708 -13.781 -8.662 1.00 34.31 H new ATOM 0 HB2 MET A 69 10.780 -13.753 -6.954 1.00 24.45 H new ATOM 0 HB3 MET A 69 10.848 -15.504 -6.990 1.00 24.45 H new ATOM 0 HG2 MET A 69 13.376 -13.957 -6.469 1.00 1.25 H new ATOM 0 HG3 MET A 69 12.195 -14.116 -5.183 1.00 1.25 H new ATOM 0 HE1 MET A 69 13.107 -16.790 -3.404 1.00 21.40 H new ATOM 0 HE2 MET A 69 11.796 -15.677 -3.864 1.00 21.40 H new ATOM 0 HE3 MET A 69 11.689 -17.402 -4.288 1.00 21.40 H new ATOM 1096 N VAL A 70 13.887 -15.962 -8.910 1.00 23.22 N ATOM 1097 CA VAL A 70 14.602 -17.187 -9.250 1.00 54.24 C ATOM 1098 C VAL A 70 15.677 -17.501 -8.217 1.00 24.11 C ATOM 1099 O VAL A 70 16.443 -16.624 -7.815 1.00 11.12 O ATOM 1100 CB VAL A 70 15.255 -17.087 -10.642 1.00 2.25 C ATOM 1101 CG1 VAL A 70 14.195 -17.093 -11.732 1.00 14.42 C ATOM 1102 CG2 VAL A 70 16.121 -15.839 -10.735 1.00 34.23 C ATOM 0 H VAL A 70 14.489 -15.184 -8.640 1.00 23.22 H new ATOM 0 HA VAL A 70 13.866 -17.991 -9.259 1.00 54.24 H new ATOM 0 HB VAL A 70 15.895 -17.958 -10.787 1.00 2.25 H new ATOM 0 HG11 VAL A 70 14.676 -17.022 -12.708 1.00 14.42 H new ATOM 0 HG12 VAL A 70 13.622 -18.018 -11.677 1.00 14.42 H new ATOM 0 HG13 VAL A 70 13.526 -16.243 -11.594 1.00 14.42 H new ATOM 0 HG21 VAL A 70 16.575 -15.784 -11.725 1.00 34.23 H new ATOM 0 HG22 VAL A 70 15.505 -14.955 -10.569 1.00 34.23 H new ATOM 0 HG23 VAL A 70 16.905 -15.883 -9.979 1.00 34.23 H new ATOM 1112 N LEU A 71 15.731 -18.758 -7.790 1.00 73.04 N ATOM 1113 CA LEU A 71 16.714 -19.190 -6.803 1.00 50.20 C ATOM 1114 C LEU A 71 17.692 -20.191 -7.410 1.00 12.10 C ATOM 1115 O LEU A 71 17.310 -21.031 -8.224 1.00 74.25 O ATOM 1116 CB LEU A 71 16.013 -19.813 -5.595 1.00 33.02 C ATOM 1117 CG LEU A 71 15.069 -20.978 -5.894 1.00 30.32 C ATOM 1118 CD1 LEU A 71 15.829 -22.296 -5.889 1.00 41.51 C ATOM 1119 CD2 LEU A 71 13.930 -21.014 -4.886 1.00 32.25 C ATOM 0 H LEU A 71 15.105 -19.496 -8.112 1.00 73.04 H new ATOM 0 HA LEU A 71 17.275 -18.314 -6.478 1.00 50.20 H new ATOM 0 HB2 LEU A 71 16.775 -20.159 -4.897 1.00 33.02 H new ATOM 0 HB3 LEU A 71 15.446 -19.033 -5.087 1.00 33.02 H new ATOM 0 HG LEU A 71 14.644 -20.830 -6.887 1.00 30.32 H new ATOM 0 HD11 LEU A 71 15.141 -23.114 -6.104 1.00 41.51 H new ATOM 0 HD12 LEU A 71 16.609 -22.269 -6.650 1.00 41.51 H new ATOM 0 HD13 LEU A 71 16.282 -22.451 -4.910 1.00 41.51 H new ATOM 0 HD21 LEU A 71 13.268 -21.849 -5.114 1.00 32.25 H new ATOM 0 HD22 LEU A 71 14.336 -21.137 -3.882 1.00 32.25 H new ATOM 0 HD23 LEU A 71 13.368 -20.081 -4.938 1.00 32.25 H new ATOM 1131 N ARG A 72 18.954 -20.096 -7.006 1.00 64.11 N ATOM 1132 CA ARG A 72 19.987 -20.994 -7.509 1.00 51.04 C ATOM 1133 C ARG A 72 20.709 -21.690 -6.360 1.00 24.31 C ATOM 1134 O ARG A 72 20.975 -21.084 -5.321 1.00 40.11 O ATOM 1135 CB ARG A 72 20.993 -20.221 -8.364 1.00 53.33 C ATOM 1136 CG ARG A 72 20.605 -20.134 -9.831 1.00 42.24 C ATOM 1137 CD ARG A 72 20.805 -21.464 -10.540 1.00 71.32 C ATOM 1138 NE ARG A 72 20.958 -21.298 -11.983 1.00 62.30 N ATOM 1139 CZ ARG A 72 22.080 -20.883 -12.560 1.00 24.11 C ATOM 1140 NH1 ARG A 72 23.142 -20.594 -11.820 1.00 41.33 N ATOM 1141 NH2 ARG A 72 22.142 -20.757 -13.879 1.00 63.13 N ATOM 0 H ARG A 72 19.286 -19.406 -6.332 1.00 64.11 H new ATOM 0 HA ARG A 72 19.505 -21.753 -8.125 1.00 51.04 H new ATOM 0 HB2 ARG A 72 21.098 -19.212 -7.964 1.00 53.33 H new ATOM 0 HB3 ARG A 72 21.969 -20.699 -8.283 1.00 53.33 H new ATOM 0 HG2 ARG A 72 19.562 -19.829 -9.915 1.00 42.24 H new ATOM 0 HG3 ARG A 72 21.202 -19.366 -10.322 1.00 42.24 H new ATOM 0 HD2 ARG A 72 21.688 -21.961 -10.137 1.00 71.32 H new ATOM 0 HD3 ARG A 72 19.954 -22.114 -10.338 1.00 71.32 H new ATOM 0 HE ARG A 72 20.159 -21.513 -12.580 1.00 62.30 H new ATOM 0 HH11 ARG A 72 23.098 -20.690 -10.806 1.00 41.33 H new ATOM 0 HH12 ARG A 72 24.003 -20.275 -12.265 1.00 41.33 H new ATOM 0 HH21 ARG A 72 21.327 -20.979 -14.451 1.00 63.13 H new ATOM 0 HH22 ARG A 72 23.004 -20.438 -14.321 1.00 63.13 H new ATOM 1155 N LEU A 73 21.024 -22.966 -6.552 1.00 63.45 N ATOM 1156 CA LEU A 73 21.716 -23.746 -5.532 1.00 31.32 C ATOM 1157 C LEU A 73 20.911 -23.784 -4.237 1.00 12.12 C ATOM 1158 O LEU A 73 21.439 -23.515 -3.158 1.00 1.31 O ATOM 1159 CB LEU A 73 23.103 -23.159 -5.266 1.00 63.24 C ATOM 1160 CG LEU A 73 24.017 -23.018 -6.485 1.00 33.15 C ATOM 1161 CD1 LEU A 73 25.395 -22.532 -6.065 1.00 1.23 C ATOM 1162 CD2 LEU A 73 24.120 -24.341 -7.230 1.00 11.22 C ATOM 0 H LEU A 73 20.811 -23.483 -7.405 1.00 63.45 H new ATOM 0 HA LEU A 73 21.825 -24.766 -5.901 1.00 31.32 H new ATOM 0 HB2 LEU A 73 22.979 -22.175 -4.814 1.00 63.24 H new ATOM 0 HB3 LEU A 73 23.606 -23.786 -4.530 1.00 63.24 H new ATOM 0 HG LEU A 73 23.583 -22.278 -7.157 1.00 33.15 H new ATOM 0 HD11 LEU A 73 26.031 -22.438 -6.945 1.00 1.23 H new ATOM 0 HD12 LEU A 73 25.305 -21.562 -5.576 1.00 1.23 H new ATOM 0 HD13 LEU A 73 25.838 -23.248 -5.372 1.00 1.23 H new ATOM 0 HD21 LEU A 73 24.774 -24.222 -8.094 1.00 11.22 H new ATOM 0 HD22 LEU A 73 24.531 -25.101 -6.566 1.00 11.22 H new ATOM 0 HD23 LEU A 73 23.129 -24.648 -7.564 1.00 11.22 H new ATOM 1174 N ARG A 74 19.631 -24.122 -4.352 1.00 14.34 N ATOM 1175 CA ARG A 74 18.753 -24.196 -3.190 1.00 11.21 C ATOM 1176 C ARG A 74 19.359 -25.084 -2.107 1.00 15.33 C ATOM 1177 O ARG A 74 20.353 -25.771 -2.337 1.00 11.42 O ATOM 1178 CB ARG A 74 17.379 -24.733 -3.595 1.00 41.14 C ATOM 1179 CG ARG A 74 17.424 -26.128 -4.198 1.00 40.51 C ATOM 1180 CD ARG A 74 17.181 -27.197 -3.145 1.00 64.51 C ATOM 1181 NE ARG A 74 18.419 -27.860 -2.743 1.00 21.22 N ATOM 1182 CZ ARG A 74 19.083 -28.710 -3.518 1.00 70.40 C ATOM 1183 NH1 ARG A 74 18.630 -28.999 -4.730 1.00 64.43 N ATOM 1184 NH2 ARG A 74 20.202 -29.273 -3.081 1.00 64.21 N ATOM 0 H ARG A 74 19.179 -24.349 -5.238 1.00 14.34 H new ATOM 0 HA ARG A 74 18.638 -23.189 -2.788 1.00 11.21 H new ATOM 0 HB2 ARG A 74 16.731 -24.746 -2.719 1.00 41.14 H new ATOM 0 HB3 ARG A 74 16.929 -24.049 -4.315 1.00 41.14 H new ATOM 0 HG2 ARG A 74 16.672 -26.211 -4.983 1.00 40.51 H new ATOM 0 HG3 ARG A 74 18.394 -26.292 -4.667 1.00 40.51 H new ATOM 0 HD2 ARG A 74 16.711 -26.745 -2.271 1.00 64.51 H new ATOM 0 HD3 ARG A 74 16.483 -27.938 -3.535 1.00 64.51 H new ATOM 0 HE ARG A 74 18.794 -27.659 -1.816 1.00 21.22 H new ATOM 0 HH11 ARG A 74 17.770 -28.568 -5.069 1.00 64.43 H new ATOM 0 HH12 ARG A 74 19.142 -29.652 -5.323 1.00 64.43 H new ATOM 0 HH21 ARG A 74 20.553 -29.053 -2.149 1.00 64.21 H new ATOM 0 HH22 ARG A 74 20.711 -29.926 -3.677 1.00 64.21 H new ATOM 1198 N GLY A 75 18.751 -25.064 -0.924 1.00 3.41 N ATOM 1199 CA GLY A 75 19.245 -25.870 0.177 1.00 12.11 C ATOM 1200 C GLY A 75 18.128 -26.556 0.940 1.00 44.54 C ATOM 1201 O GLY A 75 17.430 -27.410 0.396 1.00 31.23 O ATOM 0 H GLY A 75 17.926 -24.504 -0.709 1.00 3.41 H new ATOM 0 HA2 GLY A 75 19.933 -26.622 -0.208 1.00 12.11 H new ATOM 0 HA3 GLY A 75 19.813 -25.238 0.860 1.00 12.11 H new ATOM 1205 N GLY A 76 17.961 -26.181 2.204 1.00 34.24 N ATOM 1206 CA GLY A 76 16.921 -26.777 3.023 1.00 71.53 C ATOM 1207 C GLY A 76 17.335 -28.116 3.601 1.00 75.32 C ATOM 1208 O GLY A 76 18.149 -28.828 3.014 1.00 70.43 O ATOM 0 H GLY A 76 18.527 -25.476 2.676 1.00 34.24 H new ATOM 0 HA2 GLY A 76 16.668 -26.096 3.836 1.00 71.53 H new ATOM 0 HA3 GLY A 76 16.020 -26.906 2.423 1.00 71.53 H new TER 1212 GLY A 76