USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 NoAdj : A 12 ASNHD21 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 12 ASNHD22 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.011) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.123 (180deg=-0.868) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.0598 (180deg=-0.391) USER MOD Single : A 18 SER OG : rot 180:sc= 0.125 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.069 (180deg=-0.399) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0881 (180deg=-0.324) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0515) USER MOD Single : A 34 ASN : amide:sc= -2.96! C(o=-3!,f=-4.5!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 80:sc= 0.866 USER MOD Single : A 50 ASN : amide:sc= -7.95! C(o=-7.9!,f=-14!) USER MOD Single : A 55 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.49) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -47:sc= 1.05 USER MOD Single : A 66 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.530 3.643 -3.853 1.00 14.30 N ATOM 2 CA MET A 1 -1.605 3.666 -2.397 1.00 42.24 C ATOM 3 C MET A 1 -0.231 3.420 -1.779 1.00 32.21 C ATOM 4 O MET A 1 0.126 2.284 -1.470 1.00 23.12 O ATOM 5 CB MET A 1 -2.596 2.612 -1.898 1.00 15.54 C ATOM 6 CG MET A 1 -2.401 1.246 -2.535 1.00 73.22 C ATOM 7 SD MET A 1 -3.785 0.765 -3.586 1.00 74.23 S ATOM 8 CE MET A 1 -5.048 0.444 -2.356 1.00 53.31 C ATOM 0 H1 MET A 1 -2.450 3.355 -4.244 1.00 14.30 H new ATOM 0 H2 MET A 1 -1.286 4.592 -4.203 1.00 14.30 H new ATOM 0 H3 MET A 1 -0.800 2.966 -4.152 1.00 14.30 H new ATOM 0 HA MET A 1 -1.952 4.653 -2.092 1.00 42.24 H new ATOM 0 HB2 MET A 1 -2.499 2.517 -0.817 1.00 15.54 H new ATOM 0 HB3 MET A 1 -3.611 2.956 -2.098 1.00 15.54 H new ATOM 0 HG2 MET A 1 -1.486 1.253 -3.127 1.00 73.22 H new ATOM 0 HG3 MET A 1 -2.268 0.500 -1.752 1.00 73.22 H new ATOM 0 HE1 MET A 1 -5.940 0.050 -2.844 1.00 53.31 H new ATOM 0 HE2 MET A 1 -4.677 -0.285 -1.635 1.00 53.31 H new ATOM 0 HE3 MET A 1 -5.297 1.371 -1.839 1.00 53.31 H new ATOM 18 N ALA A 2 0.534 4.493 -1.601 1.00 15.23 N ATOM 19 CA ALA A 2 1.866 4.393 -1.019 1.00 35.33 C ATOM 20 C ALA A 2 1.989 5.270 0.222 1.00 31.42 C ATOM 21 O ALA A 2 2.102 4.767 1.340 1.00 2.30 O ATOM 22 CB ALA A 2 2.921 4.778 -2.045 1.00 52.40 C ATOM 0 H ALA A 2 0.253 5.441 -1.852 1.00 15.23 H new ATOM 0 HA ALA A 2 2.028 3.358 -0.719 1.00 35.33 H new ATOM 0 HB1 ALA A 2 3.911 4.699 -1.596 1.00 52.40 H new ATOM 0 HB2 ALA A 2 2.856 4.108 -2.902 1.00 52.40 H new ATOM 0 HB3 ALA A 2 2.752 5.804 -2.373 1.00 52.40 H new ATOM 28 N GLU A 3 1.966 6.584 0.018 1.00 61.44 N ATOM 29 CA GLU A 3 2.077 7.530 1.122 1.00 21.01 C ATOM 30 C GLU A 3 0.699 7.904 1.659 1.00 2.41 C ATOM 31 O GLU A 3 0.561 8.325 2.807 1.00 54.55 O ATOM 32 CB GLU A 3 2.821 8.789 0.671 1.00 72.03 C ATOM 33 CG GLU A 3 2.080 9.587 -0.388 1.00 54.11 C ATOM 34 CD GLU A 3 2.779 10.886 -0.735 1.00 0.31 C ATOM 35 OE1 GLU A 3 2.765 11.809 0.106 1.00 11.41 O ATOM 36 OE2 GLU A 3 3.340 10.981 -1.847 1.00 74.21 O ATOM 0 H GLU A 3 1.872 7.017 -0.901 1.00 61.44 H new ATOM 0 HA GLU A 3 2.641 7.051 1.922 1.00 21.01 H new ATOM 0 HB2 GLU A 3 2.997 9.427 1.537 1.00 72.03 H new ATOM 0 HB3 GLU A 3 3.798 8.503 0.281 1.00 72.03 H new ATOM 0 HG2 GLU A 3 1.978 8.982 -1.289 1.00 54.11 H new ATOM 0 HG3 GLU A 3 1.072 9.804 -0.035 1.00 54.11 H new ATOM 43 N ALA A 4 -0.318 7.750 0.817 1.00 74.05 N ATOM 44 CA ALA A 4 -1.687 8.069 1.206 1.00 22.32 C ATOM 45 C ALA A 4 -2.064 7.373 2.509 1.00 22.34 C ATOM 46 O ALA A 4 -2.922 7.850 3.255 1.00 25.34 O ATOM 47 CB ALA A 4 -2.655 7.682 0.099 1.00 0.40 C ATOM 0 H ALA A 4 -0.220 7.407 -0.138 1.00 74.05 H new ATOM 0 HA ALA A 4 -1.750 9.145 1.368 1.00 22.32 H new ATOM 0 HB1 ALA A 4 -3.673 7.926 0.404 1.00 0.40 H new ATOM 0 HB2 ALA A 4 -2.407 8.231 -0.810 1.00 0.40 H new ATOM 0 HB3 ALA A 4 -2.580 6.611 -0.092 1.00 0.40 H new ATOM 53 N LEU A 5 -1.421 6.243 2.778 1.00 71.41 N ATOM 54 CA LEU A 5 -1.689 5.480 3.992 1.00 54.42 C ATOM 55 C LEU A 5 -1.369 6.303 5.236 1.00 12.30 C ATOM 56 O LEU A 5 -2.076 6.229 6.241 1.00 60.31 O ATOM 57 CB LEU A 5 -0.872 4.187 3.998 1.00 43.30 C ATOM 58 CG LEU A 5 -0.702 3.495 2.644 1.00 64.12 C ATOM 59 CD1 LEU A 5 -0.020 2.146 2.817 1.00 1.20 C ATOM 60 CD2 LEU A 5 -2.049 3.329 1.956 1.00 21.51 C ATOM 0 H LEU A 5 -0.710 5.834 2.172 1.00 71.41 H new ATOM 0 HA LEU A 5 -2.750 5.232 4.007 1.00 54.42 H new ATOM 0 HB2 LEU A 5 0.118 4.408 4.398 1.00 43.30 H new ATOM 0 HB3 LEU A 5 -1.344 3.485 4.686 1.00 43.30 H new ATOM 0 HG LEU A 5 -0.070 4.121 2.014 1.00 64.12 H new ATOM 0 HD11 LEU A 5 0.093 1.668 1.844 1.00 1.20 H new ATOM 0 HD12 LEU A 5 0.962 2.290 3.267 1.00 1.20 H new ATOM 0 HD13 LEU A 5 -0.626 1.512 3.465 1.00 1.20 H new ATOM 0 HD21 LEU A 5 -1.908 2.835 0.995 1.00 21.51 H new ATOM 0 HD22 LEU A 5 -2.705 2.724 2.582 1.00 21.51 H new ATOM 0 HD23 LEU A 5 -2.500 4.309 1.798 1.00 21.51 H new ATOM 72 N PHE A 6 -0.299 7.087 5.159 1.00 32.03 N ATOM 73 CA PHE A 6 0.115 7.926 6.278 1.00 64.41 C ATOM 74 C PHE A 6 -0.979 8.927 6.642 1.00 43.42 C ATOM 75 O PHE A 6 -1.345 9.065 7.809 1.00 32.23 O ATOM 76 CB PHE A 6 1.408 8.670 5.935 1.00 52.43 C ATOM 77 CG PHE A 6 1.660 9.867 6.805 1.00 75.34 C ATOM 78 CD1 PHE A 6 1.040 11.077 6.539 1.00 42.42 C ATOM 79 CD2 PHE A 6 2.518 9.783 7.890 1.00 52.24 C ATOM 80 CE1 PHE A 6 1.270 12.180 7.338 1.00 33.05 C ATOM 81 CE2 PHE A 6 2.751 10.883 8.693 1.00 74.44 C ATOM 82 CZ PHE A 6 2.128 12.083 8.416 1.00 33.43 C ATOM 0 H PHE A 6 0.297 7.159 4.334 1.00 32.03 H new ATOM 0 HA PHE A 6 0.293 7.279 7.137 1.00 64.41 H new ATOM 0 HB2 PHE A 6 2.248 7.982 6.025 1.00 52.43 H new ATOM 0 HB3 PHE A 6 1.368 8.990 4.894 1.00 52.43 H new ATOM 0 HD1 PHE A 6 0.369 11.159 5.697 1.00 42.42 H new ATOM 0 HD2 PHE A 6 3.010 8.847 8.110 1.00 52.24 H new ATOM 0 HE1 PHE A 6 0.780 13.117 7.120 1.00 33.05 H new ATOM 0 HE2 PHE A 6 3.420 10.804 9.537 1.00 74.44 H new ATOM 0 HZ PHE A 6 2.311 12.945 9.041 1.00 33.43 H new ATOM 92 N LYS A 7 -1.495 9.622 5.635 1.00 53.04 N ATOM 93 CA LYS A 7 -2.547 10.608 5.846 1.00 1.04 C ATOM 94 C LYS A 7 -3.891 9.928 6.089 1.00 24.14 C ATOM 95 O LYS A 7 -4.769 10.487 6.746 1.00 31.13 O ATOM 96 CB LYS A 7 -2.648 11.544 4.638 1.00 63.11 C ATOM 97 CG LYS A 7 -4.062 11.700 4.107 1.00 52.21 C ATOM 98 CD LYS A 7 -4.104 12.618 2.896 1.00 61.31 C ATOM 99 CE LYS A 7 -4.217 14.078 3.308 1.00 71.13 C ATOM 100 NZ LYS A 7 -5.536 14.378 3.932 1.00 45.23 N ATOM 0 H LYS A 7 -1.201 9.520 4.663 1.00 53.04 H new ATOM 0 HA LYS A 7 -2.290 11.192 6.730 1.00 1.04 H new ATOM 0 HB2 LYS A 7 -2.263 12.525 4.916 1.00 63.11 H new ATOM 0 HB3 LYS A 7 -2.009 11.165 3.841 1.00 63.11 H new ATOM 0 HG2 LYS A 7 -4.461 10.722 3.837 1.00 52.21 H new ATOM 0 HG3 LYS A 7 -4.704 12.101 4.891 1.00 52.21 H new ATOM 0 HD2 LYS A 7 -3.203 12.476 2.299 1.00 61.31 H new ATOM 0 HD3 LYS A 7 -4.951 12.350 2.264 1.00 61.31 H new ATOM 0 HE2 LYS A 7 -3.419 14.320 4.011 1.00 71.13 H new ATOM 0 HE3 LYS A 7 -4.076 14.714 2.434 1.00 71.13 H new ATOM 0 HZ1 LYS A 7 -5.738 15.394 3.844 1.00 45.23 H new ATOM 0 HZ2 LYS A 7 -6.280 13.834 3.450 1.00 45.23 H new ATOM 0 HZ3 LYS A 7 -5.512 14.115 4.938 1.00 45.23 H new ATOM 114 N GLU A 8 -4.043 8.721 5.556 1.00 44.13 N ATOM 115 CA GLU A 8 -5.280 7.966 5.716 1.00 43.04 C ATOM 116 C GLU A 8 -5.501 7.588 7.178 1.00 74.43 C ATOM 117 O GLU A 8 -6.621 7.658 7.686 1.00 10.35 O ATOM 118 CB GLU A 8 -5.249 6.703 4.852 1.00 63.41 C ATOM 119 CG GLU A 8 -6.583 5.980 4.782 1.00 42.03 C ATOM 120 CD GLU A 8 -7.011 5.683 3.358 1.00 54.45 C ATOM 121 OE1 GLU A 8 -6.981 6.612 2.524 1.00 75.21 O ATOM 122 OE2 GLU A 8 -7.377 4.522 3.078 1.00 63.22 O ATOM 0 H GLU A 8 -3.325 8.245 5.010 1.00 44.13 H new ATOM 0 HA GLU A 8 -6.106 8.599 5.392 1.00 43.04 H new ATOM 0 HB2 GLU A 8 -4.937 6.971 3.843 1.00 63.41 H new ATOM 0 HB3 GLU A 8 -4.496 6.021 5.247 1.00 63.41 H new ATOM 0 HG2 GLU A 8 -6.515 5.046 5.340 1.00 42.03 H new ATOM 0 HG3 GLU A 8 -7.347 6.587 5.268 1.00 42.03 H new ATOM 129 N ILE A 9 -4.426 7.187 7.849 1.00 22.45 N ATOM 130 CA ILE A 9 -4.502 6.800 9.253 1.00 0.54 C ATOM 131 C ILE A 9 -4.804 8.003 10.139 1.00 23.24 C ATOM 132 O ILE A 9 -5.328 7.857 11.244 1.00 33.14 O ATOM 133 CB ILE A 9 -3.193 6.142 9.727 1.00 15.23 C ATOM 134 CG1 ILE A 9 -2.968 4.818 8.994 1.00 11.00 C ATOM 135 CG2 ILE A 9 -3.226 5.922 11.232 1.00 31.05 C ATOM 136 CD1 ILE A 9 -4.010 3.768 9.310 1.00 15.52 C ATOM 0 H ILE A 9 -3.492 7.122 7.443 1.00 22.45 H new ATOM 0 HA ILE A 9 -5.313 6.077 9.338 1.00 0.54 H new ATOM 0 HB ILE A 9 -2.363 6.809 9.495 1.00 15.23 H new ATOM 0 HG12 ILE A 9 -2.964 5.003 7.920 1.00 11.00 H new ATOM 0 HG13 ILE A 9 -1.983 4.431 9.254 1.00 11.00 H new ATOM 0 HG21 ILE A 9 -2.294 5.456 11.552 1.00 31.05 H new ATOM 0 HG22 ILE A 9 -3.345 6.880 11.737 1.00 31.05 H new ATOM 0 HG23 ILE A 9 -4.063 5.271 11.486 1.00 31.05 H new ATOM 0 HD11 ILE A 9 -3.788 2.856 8.756 1.00 15.52 H new ATOM 0 HD12 ILE A 9 -3.999 3.555 10.379 1.00 15.52 H new ATOM 0 HD13 ILE A 9 -4.995 4.136 9.024 1.00 15.52 H new ATOM 148 N ASP A 10 -4.471 9.192 9.648 1.00 13.41 N ATOM 149 CA ASP A 10 -4.710 10.421 10.394 1.00 23.34 C ATOM 150 C ASP A 10 -6.168 10.853 10.280 1.00 12.21 C ATOM 151 O ASP A 10 -6.493 11.795 9.558 1.00 21.15 O ATOM 152 CB ASP A 10 -3.793 11.536 9.887 1.00 13.22 C ATOM 153 CG ASP A 10 -2.473 11.584 10.631 1.00 13.14 C ATOM 154 OD1 ASP A 10 -2.492 11.519 11.877 1.00 73.24 O ATOM 155 OD2 ASP A 10 -1.421 11.688 9.965 1.00 32.54 O ATOM 0 H ASP A 10 -4.035 9.330 8.736 1.00 13.41 H new ATOM 0 HA ASP A 10 -4.489 10.228 11.444 1.00 23.34 H new ATOM 0 HB2 ASP A 10 -3.602 11.390 8.824 1.00 13.22 H new ATOM 0 HB3 ASP A 10 -4.300 12.495 9.991 1.00 13.22 H new ATOM 160 N VAL A 11 -7.044 10.156 10.997 1.00 22.23 N ATOM 161 CA VAL A 11 -8.469 10.466 10.977 1.00 2.45 C ATOM 162 C VAL A 11 -8.730 11.878 11.490 1.00 11.52 C ATOM 163 O VAL A 11 -9.785 12.457 11.234 1.00 53.13 O ATOM 164 CB VAL A 11 -9.274 9.465 11.825 1.00 34.31 C ATOM 165 CG1 VAL A 11 -10.767 9.675 11.625 1.00 74.33 C ATOM 166 CG2 VAL A 11 -8.877 8.038 11.483 1.00 73.53 C ATOM 0 H VAL A 11 -6.792 9.372 11.599 1.00 22.23 H new ATOM 0 HA VAL A 11 -8.795 10.393 9.939 1.00 2.45 H new ATOM 0 HB VAL A 11 -9.045 9.639 12.876 1.00 34.31 H new ATOM 0 HG11 VAL A 11 -11.320 8.958 12.232 1.00 74.33 H new ATOM 0 HG12 VAL A 11 -11.035 10.688 11.925 1.00 74.33 H new ATOM 0 HG13 VAL A 11 -11.017 9.529 10.574 1.00 74.33 H new ATOM 0 HG21 VAL A 11 -9.456 7.343 12.092 1.00 73.53 H new ATOM 0 HG22 VAL A 11 -9.075 7.848 10.428 1.00 73.53 H new ATOM 0 HG23 VAL A 11 -7.815 7.898 11.684 1.00 73.53 H new ATOM 176 N ASN A 12 -7.762 12.427 12.216 1.00 22.13 N ATOM 177 CA ASN A 12 -7.888 13.772 12.766 1.00 53.00 C ATOM 178 C ASN A 12 -7.517 14.823 11.725 1.00 62.10 C ATOM 179 O ASN A 12 -7.569 16.022 11.992 1.00 21.30 O ATOM 180 CB ASN A 12 -6.998 13.925 14.001 1.00 32.32 C ATOM 181 CG ASN A 12 -5.623 13.317 13.803 1.00 34.24 C ATOM 182 OD1 ASN A 12 -5.162 13.154 12.673 1.00 25.35 O ATOM 183 ND2 ASN A 12 -4.962 12.977 14.904 1.00 0.14 N ATOM 0 H ASN A 12 -6.882 11.962 12.437 1.00 22.13 H new ATOM 0 HA ASN A 12 -8.928 13.924 13.054 1.00 53.00 H new ATOM 0 HB2 ASN A 12 -6.893 14.983 14.241 1.00 32.32 H new ATOM 0 HB3 ASN A 12 -7.482 13.451 14.855 1.00 32.32 H new ATOM 0 HD21 ASN A 12 -4.033 12.562 14.833 1.00 0.14 H new ATOM 0 HD22 ASN A 12 -5.384 13.131 15.820 1.00 0.14 H new ATOM 190 N GLY A 13 -7.142 14.363 10.535 1.00 55.51 N ATOM 191 CA GLY A 13 -6.767 15.276 9.471 1.00 54.44 C ATOM 192 C GLY A 13 -5.728 16.286 9.912 1.00 73.51 C ATOM 193 O GLY A 13 -5.860 17.480 9.643 1.00 64.24 O ATOM 0 H GLY A 13 -7.091 13.374 10.289 1.00 55.51 H new ATOM 0 HA2 GLY A 13 -6.379 14.705 8.627 1.00 54.44 H new ATOM 0 HA3 GLY A 13 -7.654 15.802 9.119 1.00 54.44 H new ATOM 197 N ASP A 14 -4.693 15.807 10.593 1.00 33.40 N ATOM 198 CA ASP A 14 -3.626 16.678 11.075 1.00 44.41 C ATOM 199 C ASP A 14 -2.389 16.561 10.190 1.00 61.33 C ATOM 200 O ASP A 14 -1.492 17.403 10.244 1.00 54.45 O ATOM 201 CB ASP A 14 -3.269 16.330 12.521 1.00 4.13 C ATOM 202 CG ASP A 14 -2.959 14.858 12.703 1.00 62.12 C ATOM 203 OD1 ASP A 14 -2.815 14.152 11.684 1.00 53.32 O ATOM 204 OD2 ASP A 14 -2.859 14.411 13.865 1.00 33.20 O ATOM 0 H ASP A 14 -4.570 14.821 10.824 1.00 33.40 H new ATOM 0 HA ASP A 14 -3.984 17.707 11.035 1.00 44.41 H new ATOM 0 HB2 ASP A 14 -2.407 16.921 12.831 1.00 4.13 H new ATOM 0 HB3 ASP A 14 -4.097 16.607 13.173 1.00 4.13 H new ATOM 209 N GLY A 15 -2.346 15.510 9.376 1.00 10.12 N ATOM 210 CA GLY A 15 -1.215 15.302 8.493 1.00 41.43 C ATOM 211 C GLY A 15 0.036 14.883 9.241 1.00 52.31 C ATOM 212 O GLY A 15 1.122 14.826 8.665 1.00 15.25 O ATOM 0 H GLY A 15 -3.075 14.799 9.313 1.00 10.12 H new ATOM 0 HA2 GLY A 15 -1.468 14.538 7.758 1.00 41.43 H new ATOM 0 HA3 GLY A 15 -1.014 16.221 7.942 1.00 41.43 H new ATOM 216 N ALA A 16 -0.117 14.591 10.528 1.00 43.13 N ATOM 217 CA ALA A 16 1.009 14.175 11.355 1.00 35.35 C ATOM 218 C ALA A 16 0.646 12.964 12.207 1.00 31.20 C ATOM 219 O ALA A 16 -0.458 12.879 12.746 1.00 63.43 O ATOM 220 CB ALA A 16 1.467 15.326 12.239 1.00 4.20 C ATOM 0 H ALA A 16 -1.009 14.635 11.021 1.00 43.13 H new ATOM 0 HA ALA A 16 1.828 13.890 10.695 1.00 35.35 H new ATOM 0 HB1 ALA A 16 2.308 15.002 12.851 1.00 4.20 H new ATOM 0 HB2 ALA A 16 1.775 16.164 11.614 1.00 4.20 H new ATOM 0 HB3 ALA A 16 0.646 15.637 12.885 1.00 4.20 H new ATOM 226 N VAL A 17 1.582 12.027 12.324 1.00 32.12 N ATOM 227 CA VAL A 17 1.361 10.820 13.111 1.00 62.43 C ATOM 228 C VAL A 17 2.436 10.656 14.180 1.00 40.23 C ATOM 229 O VAL A 17 3.617 10.503 13.869 1.00 3.32 O ATOM 230 CB VAL A 17 1.343 9.564 12.219 1.00 71.25 C ATOM 231 CG1 VAL A 17 0.200 9.635 11.219 1.00 15.54 C ATOM 232 CG2 VAL A 17 2.677 9.398 11.506 1.00 31.12 C ATOM 0 H VAL A 17 2.500 12.081 11.884 1.00 32.12 H new ATOM 0 HA VAL A 17 0.389 10.929 13.592 1.00 62.43 H new ATOM 0 HB VAL A 17 1.185 8.692 12.853 1.00 71.25 H new ATOM 0 HG11 VAL A 17 0.204 8.739 10.598 1.00 15.54 H new ATOM 0 HG12 VAL A 17 -0.748 9.702 11.754 1.00 15.54 H new ATOM 0 HG13 VAL A 17 0.323 10.515 10.587 1.00 15.54 H new ATOM 0 HG21 VAL A 17 2.647 8.506 10.880 1.00 31.12 H new ATOM 0 HG22 VAL A 17 2.868 10.272 10.883 1.00 31.12 H new ATOM 0 HG23 VAL A 17 3.474 9.297 12.243 1.00 31.12 H new ATOM 242 N SER A 18 2.018 10.687 15.441 1.00 65.10 N ATOM 243 CA SER A 18 2.946 10.545 16.557 1.00 53.22 C ATOM 244 C SER A 18 3.245 9.074 16.830 1.00 63.33 C ATOM 245 O SER A 18 2.694 8.186 16.181 1.00 13.00 O ATOM 246 CB SER A 18 2.370 11.202 17.813 1.00 41.42 C ATOM 247 OG SER A 18 0.994 11.498 17.649 1.00 32.04 O ATOM 0 H SER A 18 1.043 10.809 15.716 1.00 65.10 H new ATOM 0 HA SER A 18 3.878 11.044 16.289 1.00 53.22 H new ATOM 0 HB2 SER A 18 2.503 10.539 18.668 1.00 41.42 H new ATOM 0 HB3 SER A 18 2.919 12.118 18.032 1.00 41.42 H new ATOM 0 HG SER A 18 0.650 11.915 18.466 1.00 32.04 H new ATOM 253 N TYR A 19 4.123 8.826 17.796 1.00 61.24 N ATOM 254 CA TYR A 19 4.499 7.464 18.155 1.00 72.44 C ATOM 255 C TYR A 19 3.265 6.581 18.315 1.00 14.14 C ATOM 256 O TYR A 19 3.224 5.457 17.818 1.00 52.33 O ATOM 257 CB TYR A 19 5.312 7.461 19.451 1.00 1.31 C ATOM 258 CG TYR A 19 4.582 8.074 20.625 1.00 41.23 C ATOM 259 CD1 TYR A 19 4.556 9.451 20.810 1.00 12.33 C ATOM 260 CD2 TYR A 19 3.921 7.276 21.550 1.00 32.00 C ATOM 261 CE1 TYR A 19 3.891 10.015 21.881 1.00 22.14 C ATOM 262 CE2 TYR A 19 3.252 7.832 22.624 1.00 21.30 C ATOM 263 CZ TYR A 19 3.240 9.202 22.785 1.00 4.32 C ATOM 264 OH TYR A 19 2.577 9.759 23.854 1.00 63.32 O ATOM 0 H TYR A 19 4.587 9.550 18.344 1.00 61.24 H new ATOM 0 HA TYR A 19 5.111 7.060 17.348 1.00 72.44 H new ATOM 0 HB2 TYR A 19 5.583 6.434 19.698 1.00 1.31 H new ATOM 0 HB3 TYR A 19 6.242 8.005 19.288 1.00 1.31 H new ATOM 0 HD1 TYR A 19 5.065 10.091 20.104 1.00 12.33 H new ATOM 0 HD2 TYR A 19 3.930 6.203 21.428 1.00 32.00 H new ATOM 0 HE1 TYR A 19 3.881 11.087 22.010 1.00 22.14 H new ATOM 0 HE2 TYR A 19 2.741 7.197 23.333 1.00 21.30 H new ATOM 0 HH TYR A 19 2.171 9.049 24.394 1.00 63.32 H new ATOM 274 N GLU A 20 2.260 7.102 19.013 1.00 13.43 N ATOM 275 CA GLU A 20 1.024 6.362 19.238 1.00 31.45 C ATOM 276 C GLU A 20 0.381 5.958 17.915 1.00 42.20 C ATOM 277 O GLU A 20 -0.030 4.813 17.737 1.00 13.21 O ATOM 278 CB GLU A 20 0.042 7.203 20.057 1.00 24.41 C ATOM 279 CG GLU A 20 0.245 7.086 21.558 1.00 71.54 C ATOM 280 CD GLU A 20 -1.037 6.749 22.296 1.00 3.44 C ATOM 281 OE1 GLU A 20 -1.954 7.596 22.308 1.00 71.32 O ATOM 282 OE2 GLU A 20 -1.122 5.638 22.860 1.00 30.21 O ATOM 0 H GLU A 20 2.278 8.032 19.432 1.00 13.43 H new ATOM 0 HA GLU A 20 1.270 5.457 19.794 1.00 31.45 H new ATOM 0 HB2 GLU A 20 0.142 8.249 19.766 1.00 24.41 H new ATOM 0 HB3 GLU A 20 -0.976 6.899 19.812 1.00 24.41 H new ATOM 0 HG2 GLU A 20 0.990 6.316 21.761 1.00 71.54 H new ATOM 0 HG3 GLU A 20 0.644 8.025 21.941 1.00 71.54 H new ATOM 289 N GLU A 21 0.300 6.909 16.989 1.00 4.53 N ATOM 290 CA GLU A 21 -0.293 6.652 15.682 1.00 12.34 C ATOM 291 C GLU A 21 0.414 5.496 14.980 1.00 72.42 C ATOM 292 O GLU A 21 -0.226 4.644 14.364 1.00 62.53 O ATOM 293 CB GLU A 21 -0.226 7.908 14.810 1.00 4.21 C ATOM 294 CG GLU A 21 -1.176 9.007 15.253 1.00 1.13 C ATOM 295 CD GLU A 21 -2.292 9.251 14.255 1.00 5.21 C ATOM 296 OE1 GLU A 21 -2.013 9.240 13.038 1.00 4.32 O ATOM 297 OE2 GLU A 21 -3.445 9.451 14.692 1.00 50.23 O ATOM 0 H GLU A 21 0.637 7.863 17.120 1.00 4.53 H new ATOM 0 HA GLU A 21 -1.337 6.378 15.834 1.00 12.34 H new ATOM 0 HB2 GLU A 21 0.793 8.294 14.821 1.00 4.21 H new ATOM 0 HB3 GLU A 21 -0.453 7.637 13.779 1.00 4.21 H new ATOM 0 HG2 GLU A 21 -1.608 8.741 16.218 1.00 1.13 H new ATOM 0 HG3 GLU A 21 -0.615 9.930 15.398 1.00 1.13 H new ATOM 304 N VAL A 22 1.739 5.473 15.080 1.00 43.01 N ATOM 305 CA VAL A 22 2.536 4.422 14.456 1.00 74.32 C ATOM 306 C VAL A 22 2.181 3.053 15.027 1.00 20.31 C ATOM 307 O VAL A 22 1.836 2.130 14.289 1.00 22.31 O ATOM 308 CB VAL A 22 4.043 4.671 14.648 1.00 50.41 C ATOM 309 CG1 VAL A 22 4.847 3.471 14.172 1.00 44.14 C ATOM 310 CG2 VAL A 22 4.471 5.934 13.916 1.00 61.44 C ATOM 0 H VAL A 22 2.284 6.170 15.587 1.00 43.01 H new ATOM 0 HA VAL A 22 2.306 4.440 13.391 1.00 74.32 H new ATOM 0 HB VAL A 22 4.238 4.810 15.711 1.00 50.41 H new ATOM 0 HG11 VAL A 22 5.910 3.665 14.315 1.00 44.14 H new ATOM 0 HG12 VAL A 22 4.559 2.590 14.745 1.00 44.14 H new ATOM 0 HG13 VAL A 22 4.649 3.297 13.114 1.00 44.14 H new ATOM 0 HG21 VAL A 22 5.539 6.095 14.062 1.00 61.44 H new ATOM 0 HG22 VAL A 22 4.263 5.826 12.852 1.00 61.44 H new ATOM 0 HG23 VAL A 22 3.918 6.787 14.309 1.00 61.44 H new ATOM 320 N LYS A 23 2.268 2.928 16.347 1.00 32.32 N ATOM 321 CA LYS A 23 1.955 1.673 17.020 1.00 34.21 C ATOM 322 C LYS A 23 0.542 1.209 16.676 1.00 63.42 C ATOM 323 O LYS A 23 0.282 0.011 16.567 1.00 22.11 O ATOM 324 CB LYS A 23 2.095 1.834 18.536 1.00 43.34 C ATOM 325 CG LYS A 23 3.317 1.138 19.110 1.00 45.42 C ATOM 326 CD LYS A 23 3.198 -0.373 19.009 1.00 75.43 C ATOM 327 CE LYS A 23 2.028 -0.894 19.832 1.00 44.42 C ATOM 328 NZ LYS A 23 2.110 -0.455 21.252 1.00 33.43 N ATOM 0 H LYS A 23 2.553 3.682 16.973 1.00 32.32 H new ATOM 0 HA LYS A 23 2.661 0.918 16.674 1.00 34.21 H new ATOM 0 HB2 LYS A 23 2.145 2.896 18.777 1.00 43.34 H new ATOM 0 HB3 LYS A 23 1.201 1.439 19.019 1.00 43.34 H new ATOM 0 HG2 LYS A 23 4.209 1.470 18.578 1.00 45.42 H new ATOM 0 HG3 LYS A 23 3.443 1.425 20.154 1.00 45.42 H new ATOM 0 HD2 LYS A 23 3.067 -0.660 17.966 1.00 75.43 H new ATOM 0 HD3 LYS A 23 4.122 -0.836 19.354 1.00 75.43 H new ATOM 0 HE2 LYS A 23 1.093 -0.542 19.397 1.00 44.42 H new ATOM 0 HE3 LYS A 23 2.010 -1.983 19.789 1.00 44.42 H new ATOM 0 HZ1 LYS A 23 1.457 -1.023 21.829 1.00 33.43 H new ATOM 0 HZ2 LYS A 23 3.081 -0.585 21.600 1.00 33.43 H new ATOM 0 HZ3 LYS A 23 1.849 0.549 21.320 1.00 33.43 H new ATOM 342 N ALA A 24 -0.365 2.165 16.506 1.00 25.51 N ATOM 343 CA ALA A 24 -1.749 1.855 16.172 1.00 75.33 C ATOM 344 C ALA A 24 -1.857 1.280 14.764 1.00 11.33 C ATOM 345 O ALA A 24 -2.582 0.312 14.531 1.00 35.31 O ATOM 346 CB ALA A 24 -2.616 3.097 16.305 1.00 33.12 C ATOM 0 H ALA A 24 -0.166 3.161 16.594 1.00 25.51 H new ATOM 0 HA ALA A 24 -2.106 1.101 16.873 1.00 75.33 H new ATOM 0 HB1 ALA A 24 -3.647 2.850 16.052 1.00 33.12 H new ATOM 0 HB2 ALA A 24 -2.572 3.464 17.331 1.00 33.12 H new ATOM 0 HB3 ALA A 24 -2.252 3.869 15.628 1.00 33.12 H new ATOM 352 N PHE A 25 -1.133 1.882 13.827 1.00 40.10 N ATOM 353 CA PHE A 25 -1.149 1.431 12.439 1.00 72.52 C ATOM 354 C PHE A 25 -0.879 -0.069 12.352 1.00 32.44 C ATOM 355 O PHE A 25 -1.641 -0.813 11.735 1.00 32.12 O ATOM 356 CB PHE A 25 -0.110 2.197 11.620 1.00 65.11 C ATOM 357 CG PHE A 25 -0.442 2.282 10.158 1.00 31.03 C ATOM 358 CD1 PHE A 25 -1.433 1.482 9.611 1.00 71.30 C ATOM 359 CD2 PHE A 25 0.235 3.162 9.329 1.00 71.03 C ATOM 360 CE1 PHE A 25 -1.742 1.558 8.267 1.00 54.03 C ATOM 361 CE2 PHE A 25 -0.071 3.242 7.984 1.00 4.44 C ATOM 362 CZ PHE A 25 -1.060 2.439 7.452 1.00 44.21 C ATOM 0 H PHE A 25 -0.527 2.684 14.003 1.00 40.10 H new ATOM 0 HA PHE A 25 -2.140 1.628 12.030 1.00 72.52 H new ATOM 0 HB2 PHE A 25 -0.014 3.206 12.022 1.00 65.11 H new ATOM 0 HB3 PHE A 25 0.860 1.714 11.736 1.00 65.11 H new ATOM 0 HD1 PHE A 25 -1.970 0.791 10.244 1.00 71.30 H new ATOM 0 HD2 PHE A 25 1.010 3.792 9.739 1.00 71.03 H new ATOM 0 HE1 PHE A 25 -2.517 0.929 7.854 1.00 54.03 H new ATOM 0 HE2 PHE A 25 0.464 3.933 7.349 1.00 4.44 H new ATOM 0 HZ PHE A 25 -1.300 2.500 6.401 1.00 44.21 H new ATOM 372 N VAL A 26 0.212 -0.504 12.975 1.00 55.32 N ATOM 373 CA VAL A 26 0.583 -1.914 12.968 1.00 42.05 C ATOM 374 C VAL A 26 -0.389 -2.742 13.801 1.00 52.50 C ATOM 375 O VAL A 26 -0.609 -3.922 13.526 1.00 72.30 O ATOM 376 CB VAL A 26 2.010 -2.121 13.509 1.00 23.31 C ATOM 377 CG1 VAL A 26 1.981 -2.387 15.006 1.00 23.34 C ATOM 378 CG2 VAL A 26 2.700 -3.258 12.770 1.00 73.10 C ATOM 0 H VAL A 26 0.853 0.099 13.490 1.00 55.32 H new ATOM 0 HA VAL A 26 0.543 -2.247 11.931 1.00 42.05 H new ATOM 0 HB VAL A 26 2.580 -1.208 13.338 1.00 23.31 H new ATOM 0 HG11 VAL A 26 2.998 -2.531 15.370 1.00 23.34 H new ATOM 0 HG12 VAL A 26 1.529 -1.537 15.518 1.00 23.34 H new ATOM 0 HG13 VAL A 26 1.395 -3.284 15.205 1.00 23.34 H new ATOM 0 HG21 VAL A 26 3.707 -3.390 13.165 1.00 73.10 H new ATOM 0 HG22 VAL A 26 2.132 -4.178 12.907 1.00 73.10 H new ATOM 0 HG23 VAL A 26 2.755 -3.021 11.708 1.00 73.10 H new ATOM 388 N SER A 27 -0.968 -2.117 14.820 1.00 31.45 N ATOM 389 CA SER A 27 -1.915 -2.796 15.697 1.00 51.14 C ATOM 390 C SER A 27 -3.167 -3.208 14.928 1.00 43.45 C ATOM 391 O SER A 27 -3.878 -4.131 15.325 1.00 32.21 O ATOM 392 CB SER A 27 -2.297 -1.892 16.870 1.00 70.02 C ATOM 393 OG SER A 27 -1.681 -2.325 18.070 1.00 41.34 O ATOM 0 H SER A 27 -0.798 -1.140 15.059 1.00 31.45 H new ATOM 0 HA SER A 27 -1.434 -3.695 16.083 1.00 51.14 H new ATOM 0 HB2 SER A 27 -1.999 -0.866 16.654 1.00 70.02 H new ATOM 0 HB3 SER A 27 -3.380 -1.890 16.994 1.00 70.02 H new ATOM 0 HG SER A 27 -1.940 -1.729 18.804 1.00 41.34 H new ATOM 399 N LYS A 28 -3.430 -2.517 13.824 1.00 13.11 N ATOM 400 CA LYS A 28 -4.595 -2.809 12.997 1.00 60.24 C ATOM 401 C LYS A 28 -4.394 -4.102 12.212 1.00 72.24 C ATOM 402 O LYS A 28 -5.315 -4.594 11.561 1.00 30.21 O ATOM 403 CB LYS A 28 -4.865 -1.652 12.033 1.00 11.11 C ATOM 404 CG LYS A 28 -5.449 -0.423 12.708 1.00 4.03 C ATOM 405 CD LYS A 28 -6.849 -0.686 13.232 1.00 72.21 C ATOM 406 CE LYS A 28 -7.814 -1.020 12.105 1.00 30.02 C ATOM 407 NZ LYS A 28 -9.090 -0.261 12.223 1.00 4.32 N ATOM 0 H LYS A 28 -2.852 -1.750 13.481 1.00 13.11 H new ATOM 0 HA LYS A 28 -5.455 -2.933 13.655 1.00 60.24 H new ATOM 0 HB2 LYS A 28 -3.933 -1.377 11.539 1.00 11.11 H new ATOM 0 HB3 LYS A 28 -5.550 -1.990 11.256 1.00 11.11 H new ATOM 0 HG2 LYS A 28 -4.803 -0.118 13.531 1.00 4.03 H new ATOM 0 HG3 LYS A 28 -5.475 0.405 11.999 1.00 4.03 H new ATOM 0 HD2 LYS A 28 -6.823 -1.510 13.945 1.00 72.21 H new ATOM 0 HD3 LYS A 28 -7.207 0.191 13.771 1.00 72.21 H new ATOM 0 HE2 LYS A 28 -7.345 -0.795 11.147 1.00 30.02 H new ATOM 0 HE3 LYS A 28 -8.026 -2.089 12.113 1.00 30.02 H new ATOM 0 HZ1 LYS A 28 -9.720 -0.517 11.436 1.00 4.32 H new ATOM 0 HZ2 LYS A 28 -9.551 -0.495 13.126 1.00 4.32 H new ATOM 0 HZ3 LYS A 28 -8.891 0.759 12.190 1.00 4.32 H new ATOM 421 N LYS A 29 -3.185 -4.648 12.281 1.00 61.13 N ATOM 422 CA LYS A 29 -2.864 -5.886 11.580 1.00 3.21 C ATOM 423 C LYS A 29 -2.704 -7.042 12.561 1.00 33.21 C ATOM 424 O LYS A 29 -2.842 -8.208 12.190 1.00 63.44 O ATOM 425 CB LYS A 29 -1.580 -5.715 10.763 1.00 70.54 C ATOM 426 CG LYS A 29 -1.496 -4.386 10.034 1.00 4.41 C ATOM 427 CD LYS A 29 -2.723 -4.146 9.170 1.00 32.50 C ATOM 428 CE LYS A 29 -2.872 -5.218 8.102 1.00 61.14 C ATOM 429 NZ LYS A 29 -1.626 -5.383 7.304 1.00 40.15 N ATOM 0 H LYS A 29 -2.411 -4.253 12.815 1.00 61.13 H new ATOM 0 HA LYS A 29 -3.689 -6.117 10.906 1.00 3.21 H new ATOM 0 HB2 LYS A 29 -0.721 -5.810 11.427 1.00 70.54 H new ATOM 0 HB3 LYS A 29 -1.512 -6.524 10.036 1.00 70.54 H new ATOM 0 HG2 LYS A 29 -1.396 -3.578 10.759 1.00 4.41 H new ATOM 0 HG3 LYS A 29 -0.602 -4.367 9.411 1.00 4.41 H new ATOM 0 HD2 LYS A 29 -3.614 -4.130 9.798 1.00 32.50 H new ATOM 0 HD3 LYS A 29 -2.650 -3.167 8.696 1.00 32.50 H new ATOM 0 HE2 LYS A 29 -3.130 -6.167 8.573 1.00 61.14 H new ATOM 0 HE3 LYS A 29 -3.696 -4.957 7.438 1.00 61.14 H new ATOM 0 HZ1 LYS A 29 -1.829 -5.952 6.458 1.00 40.15 H new ATOM 0 HZ2 LYS A 29 -1.272 -4.449 7.016 1.00 40.15 H new ATOM 0 HZ3 LYS A 29 -0.906 -5.864 7.880 1.00 40.15 H new ATOM 443 N ARG A 30 -2.415 -6.712 13.816 1.00 22.40 N ATOM 444 CA ARG A 30 -2.238 -7.723 14.851 1.00 3.01 C ATOM 445 C ARG A 30 -2.007 -7.074 16.212 1.00 31.24 C ATOM 446 O ARG A 30 -2.102 -5.854 16.353 1.00 63.53 O ATOM 447 CB ARG A 30 -1.061 -8.637 14.505 1.00 0.54 C ATOM 448 CG ARG A 30 0.222 -7.885 14.190 1.00 55.34 C ATOM 449 CD ARG A 30 0.876 -8.406 12.920 1.00 74.24 C ATOM 450 NE ARG A 30 0.953 -9.865 12.903 1.00 50.50 N ATOM 451 CZ ARG A 30 1.104 -10.580 11.794 1.00 11.23 C ATOM 452 NH1 ARG A 30 1.194 -9.974 10.618 1.00 14.41 N ATOM 453 NH2 ARG A 30 1.166 -11.904 11.859 1.00 53.22 N ATOM 0 H ARG A 30 -2.299 -5.752 14.140 1.00 22.40 H new ATOM 0 HA ARG A 30 -3.150 -8.318 14.901 1.00 3.01 H new ATOM 0 HB2 ARG A 30 -0.880 -9.314 15.340 1.00 0.54 H new ATOM 0 HB3 ARG A 30 -1.331 -9.254 13.648 1.00 0.54 H new ATOM 0 HG2 ARG A 30 0.004 -6.823 14.079 1.00 55.34 H new ATOM 0 HG3 ARG A 30 0.916 -7.983 15.024 1.00 55.34 H new ATOM 0 HD2 ARG A 30 0.310 -8.063 12.054 1.00 74.24 H new ATOM 0 HD3 ARG A 30 1.879 -7.989 12.831 1.00 74.24 H new ATOM 0 HE ARG A 30 0.887 -10.362 13.792 1.00 50.50 H new ATOM 0 HH11 ARG A 30 1.147 -8.957 10.564 1.00 14.41 H new ATOM 0 HH12 ARG A 30 1.310 -10.525 9.768 1.00 14.41 H new ATOM 0 HH21 ARG A 30 1.098 -12.374 12.762 1.00 53.22 H new ATOM 0 HH22 ARG A 30 1.282 -12.452 11.006 1.00 53.22 H new ATOM 467 N ALA A 31 -1.706 -7.896 17.211 1.00 63.13 N ATOM 468 CA ALA A 31 -1.460 -7.402 18.560 1.00 63.41 C ATOM 469 C ALA A 31 -0.013 -7.642 18.979 1.00 54.32 C ATOM 470 O ALA A 31 0.331 -8.722 19.461 1.00 25.23 O ATOM 471 CB ALA A 31 -2.413 -8.062 19.546 1.00 2.04 C ATOM 0 H ALA A 31 -1.627 -8.908 17.112 1.00 63.13 H new ATOM 0 HA ALA A 31 -1.638 -6.327 18.563 1.00 63.41 H new ATOM 0 HB1 ALA A 31 -2.218 -7.684 20.549 1.00 2.04 H new ATOM 0 HB2 ALA A 31 -3.441 -7.834 19.266 1.00 2.04 H new ATOM 0 HB3 ALA A 31 -2.263 -9.142 19.530 1.00 2.04 H new ATOM 477 N ILE A 32 0.828 -6.632 18.791 1.00 20.24 N ATOM 478 CA ILE A 32 2.238 -6.735 19.150 1.00 12.41 C ATOM 479 C ILE A 32 2.698 -5.506 19.926 1.00 22.13 C ATOM 480 O ILE A 32 2.944 -4.447 19.346 1.00 34.13 O ATOM 481 CB ILE A 32 3.125 -6.903 17.902 1.00 61.31 C ATOM 482 CG1 ILE A 32 2.689 -8.132 17.101 1.00 33.32 C ATOM 483 CG2 ILE A 32 4.588 -7.018 18.305 1.00 11.43 C ATOM 484 CD1 ILE A 32 2.895 -9.436 17.838 1.00 52.41 C ATOM 0 H ILE A 32 0.559 -5.733 18.392 1.00 20.24 H new ATOM 0 HA ILE A 32 2.341 -7.619 19.780 1.00 12.41 H new ATOM 0 HB ILE A 32 3.010 -6.022 17.270 1.00 61.31 H new ATOM 0 HG12 ILE A 32 1.635 -8.032 16.843 1.00 33.32 H new ATOM 0 HG13 ILE A 32 3.245 -8.161 16.164 1.00 33.32 H new ATOM 0 HG21 ILE A 32 5.203 -7.136 17.413 1.00 11.43 H new ATOM 0 HG22 ILE A 32 4.891 -6.116 18.837 1.00 11.43 H new ATOM 0 HG23 ILE A 32 4.720 -7.884 18.954 1.00 11.43 H new ATOM 0 HD11 ILE A 32 2.565 -10.264 17.211 1.00 52.41 H new ATOM 0 HD12 ILE A 32 3.952 -9.558 18.073 1.00 52.41 H new ATOM 0 HD13 ILE A 32 2.317 -9.427 18.762 1.00 52.41 H new ATOM 496 N LYS A 33 2.816 -5.653 21.241 1.00 63.23 N ATOM 497 CA LYS A 33 3.251 -4.557 22.098 1.00 12.00 C ATOM 498 C LYS A 33 4.773 -4.445 22.109 1.00 54.40 C ATOM 499 O LYS A 33 5.458 -5.251 22.736 1.00 4.01 O ATOM 500 CB LYS A 33 2.734 -4.761 23.524 1.00 62.23 C ATOM 501 CG LYS A 33 3.071 -6.125 24.103 1.00 33.02 C ATOM 502 CD LYS A 33 1.822 -6.859 24.564 1.00 64.12 C ATOM 503 CE LYS A 33 2.058 -7.589 25.877 1.00 14.14 C ATOM 504 NZ LYS A 33 2.157 -6.646 27.026 1.00 54.21 N ATOM 0 H LYS A 33 2.616 -6.522 21.737 1.00 63.23 H new ATOM 0 HA LYS A 33 2.839 -3.631 21.697 1.00 12.00 H new ATOM 0 HB2 LYS A 33 3.154 -3.988 24.168 1.00 62.23 H new ATOM 0 HB3 LYS A 33 1.652 -4.629 23.532 1.00 62.23 H new ATOM 0 HG2 LYS A 33 3.589 -6.722 23.352 1.00 33.02 H new ATOM 0 HG3 LYS A 33 3.755 -6.006 24.943 1.00 33.02 H new ATOM 0 HD2 LYS A 33 1.004 -6.148 24.683 1.00 64.12 H new ATOM 0 HD3 LYS A 33 1.515 -7.573 23.800 1.00 64.12 H new ATOM 0 HE2 LYS A 33 1.244 -8.292 26.053 1.00 14.14 H new ATOM 0 HE3 LYS A 33 2.975 -8.174 25.807 1.00 14.14 H new ATOM 0 HZ1 LYS A 33 2.079 -7.176 27.918 1.00 54.21 H new ATOM 0 HZ2 LYS A 33 3.073 -6.155 26.994 1.00 54.21 H new ATOM 0 HZ3 LYS A 33 1.388 -5.948 26.970 1.00 54.21 H new ATOM 518 N ASN A 34 5.293 -3.440 21.412 1.00 35.41 N ATOM 519 CA ASN A 34 6.732 -3.223 21.343 1.00 23.23 C ATOM 520 C ASN A 34 7.095 -1.822 21.826 1.00 72.21 C ATOM 521 O ASN A 34 6.939 -0.843 21.097 1.00 33.20 O ATOM 522 CB ASN A 34 7.232 -3.425 19.910 1.00 33.55 C ATOM 523 CG ASN A 34 7.700 -4.845 19.657 1.00 3.44 C ATOM 524 OD1 ASN A 34 8.824 -5.069 19.207 1.00 31.55 O ATOM 525 ND2 ASN A 34 6.838 -5.813 19.945 1.00 22.01 N ATOM 0 H ASN A 34 4.739 -2.763 20.887 1.00 35.41 H new ATOM 0 HA ASN A 34 7.215 -3.950 21.996 1.00 23.23 H new ATOM 0 HB2 ASN A 34 6.433 -3.179 19.211 1.00 33.55 H new ATOM 0 HB3 ASN A 34 8.052 -2.734 19.713 1.00 33.55 H new ATOM 0 HD21 ASN A 34 7.097 -6.788 19.795 1.00 22.01 H new ATOM 0 HD22 ASN A 34 5.917 -5.582 20.316 1.00 22.01 H new ATOM 532 N GLU A 35 7.582 -1.735 23.061 1.00 73.21 N ATOM 533 CA GLU A 35 7.966 -0.454 23.641 1.00 23.34 C ATOM 534 C GLU A 35 9.282 0.039 23.048 1.00 4.42 C ATOM 535 O GLU A 35 9.437 1.224 22.754 1.00 13.34 O ATOM 536 CB GLU A 35 8.093 -0.575 25.161 1.00 24.25 C ATOM 537 CG GLU A 35 7.407 0.548 25.920 1.00 35.40 C ATOM 538 CD GLU A 35 8.267 1.792 26.027 1.00 34.24 C ATOM 539 OE1 GLU A 35 8.626 2.355 24.972 1.00 13.54 O ATOM 540 OE2 GLU A 35 8.580 2.202 27.163 1.00 22.01 O ATOM 0 H GLU A 35 7.719 -2.536 23.678 1.00 73.21 H new ATOM 0 HA GLU A 35 7.187 0.271 23.405 1.00 23.34 H new ATOM 0 HB2 GLU A 35 7.669 -1.528 25.478 1.00 24.25 H new ATOM 0 HB3 GLU A 35 9.149 -0.591 25.429 1.00 24.25 H new ATOM 0 HG2 GLU A 35 6.471 0.800 25.421 1.00 35.40 H new ATOM 0 HG3 GLU A 35 7.151 0.201 26.921 1.00 35.40 H new ATOM 547 N GLN A 36 10.228 -0.879 22.876 1.00 4.22 N ATOM 548 CA GLN A 36 11.532 -0.537 22.319 1.00 52.43 C ATOM 549 C GLN A 36 11.424 -0.235 20.828 1.00 24.14 C ATOM 550 O GLN A 36 11.900 0.800 20.358 1.00 75.10 O ATOM 551 CB GLN A 36 12.523 -1.680 22.549 1.00 21.14 C ATOM 552 CG GLN A 36 13.935 -1.206 22.857 1.00 41.03 C ATOM 553 CD GLN A 36 14.977 -1.870 21.978 1.00 2.25 C ATOM 554 OE1 GLN A 36 15.461 -2.959 22.283 1.00 41.14 O ATOM 555 NE2 GLN A 36 15.328 -1.213 20.878 1.00 72.23 N ATOM 0 H GLN A 36 10.116 -1.864 23.114 1.00 4.22 H new ATOM 0 HA GLN A 36 11.894 0.357 22.827 1.00 52.43 H new ATOM 0 HB2 GLN A 36 12.168 -2.298 23.374 1.00 21.14 H new ATOM 0 HB3 GLN A 36 12.546 -2.314 21.663 1.00 21.14 H new ATOM 0 HG2 GLN A 36 13.989 -0.125 22.725 1.00 41.03 H new ATOM 0 HG3 GLN A 36 14.163 -1.411 23.903 1.00 41.03 H new ATOM 0 HE21 GLN A 36 14.901 -0.312 20.664 1.00 72.23 H new ATOM 0 HE22 GLN A 36 16.025 -1.610 20.248 1.00 72.23 H new ATOM 564 N LEU A 37 10.797 -1.142 20.088 1.00 61.43 N ATOM 565 CA LEU A 37 10.627 -0.973 18.650 1.00 0.35 C ATOM 566 C LEU A 37 9.835 0.294 18.341 1.00 41.31 C ATOM 567 O LEU A 37 10.134 1.007 17.383 1.00 2.33 O ATOM 568 CB LEU A 37 9.918 -2.190 18.053 1.00 61.53 C ATOM 569 CG LEU A 37 10.270 -2.528 16.604 1.00 13.13 C ATOM 570 CD1 LEU A 37 11.711 -3.005 16.501 1.00 32.44 C ATOM 571 CD2 LEU A 37 9.318 -3.580 16.055 1.00 54.15 C ATOM 0 H LEU A 37 10.397 -2.003 20.461 1.00 61.43 H new ATOM 0 HA LEU A 37 11.616 -0.880 18.201 1.00 0.35 H new ATOM 0 HB2 LEU A 37 10.145 -3.058 18.673 1.00 61.53 H new ATOM 0 HB3 LEU A 37 8.842 -2.026 18.116 1.00 61.53 H new ATOM 0 HG LEU A 37 10.165 -1.623 16.005 1.00 13.13 H new ATOM 0 HD11 LEU A 37 11.943 -3.241 15.462 1.00 32.44 H new ATOM 0 HD12 LEU A 37 12.380 -2.220 16.853 1.00 32.44 H new ATOM 0 HD13 LEU A 37 11.844 -3.897 17.114 1.00 32.44 H new ATOM 0 HD21 LEU A 37 9.584 -3.808 15.023 1.00 54.15 H new ATOM 0 HD22 LEU A 37 9.390 -4.486 16.657 1.00 54.15 H new ATOM 0 HD23 LEU A 37 8.297 -3.201 16.091 1.00 54.15 H new ATOM 583 N LEU A 38 8.826 0.568 19.159 1.00 2.14 N ATOM 584 CA LEU A 38 7.992 1.750 18.975 1.00 14.32 C ATOM 585 C LEU A 38 8.817 3.026 19.107 1.00 43.14 C ATOM 586 O LEU A 38 8.728 3.923 18.270 1.00 31.24 O ATOM 587 CB LEU A 38 6.852 1.759 19.995 1.00 73.25 C ATOM 588 CG LEU A 38 5.976 3.012 20.013 1.00 51.32 C ATOM 589 CD1 LEU A 38 6.607 4.093 20.876 1.00 34.04 C ATOM 590 CD2 LEU A 38 5.748 3.523 18.597 1.00 74.32 C ATOM 0 H LEU A 38 8.565 -0.012 19.956 1.00 2.14 H new ATOM 0 HA LEU A 38 7.572 1.713 17.970 1.00 14.32 H new ATOM 0 HB2 LEU A 38 6.213 0.897 19.804 1.00 73.25 H new ATOM 0 HB3 LEU A 38 7.279 1.625 20.989 1.00 73.25 H new ATOM 0 HG LEU A 38 5.010 2.750 20.444 1.00 51.32 H new ATOM 0 HD11 LEU A 38 5.969 4.977 20.876 1.00 34.04 H new ATOM 0 HD12 LEU A 38 6.718 3.725 21.896 1.00 34.04 H new ATOM 0 HD13 LEU A 38 7.587 4.353 20.475 1.00 34.04 H new ATOM 0 HD21 LEU A 38 5.123 4.415 18.628 1.00 74.32 H new ATOM 0 HD22 LEU A 38 6.707 3.768 18.140 1.00 74.32 H new ATOM 0 HD23 LEU A 38 5.251 2.752 18.008 1.00 74.32 H new ATOM 602 N GLN A 39 9.623 3.096 20.163 1.00 15.42 N ATOM 603 CA GLN A 39 10.465 4.262 20.403 1.00 44.05 C ATOM 604 C GLN A 39 11.489 4.432 19.285 1.00 61.41 C ATOM 605 O GLN A 39 11.613 5.510 18.702 1.00 43.11 O ATOM 606 CB GLN A 39 11.180 4.132 21.749 1.00 63.31 C ATOM 607 CG GLN A 39 11.234 5.431 22.536 1.00 61.35 C ATOM 608 CD GLN A 39 12.088 6.486 21.863 1.00 4.24 C ATOM 609 OE1 GLN A 39 11.576 7.365 21.167 1.00 70.31 O ATOM 610 NE2 GLN A 39 13.399 6.407 22.064 1.00 14.12 N ATOM 0 H GLN A 39 9.710 2.360 20.864 1.00 15.42 H new ATOM 0 HA GLN A 39 9.825 5.144 20.423 1.00 44.05 H new ATOM 0 HB2 GLN A 39 10.675 3.375 22.348 1.00 63.31 H new ATOM 0 HB3 GLN A 39 12.197 3.777 21.578 1.00 63.31 H new ATOM 0 HG2 GLN A 39 10.222 5.816 22.664 1.00 61.35 H new ATOM 0 HG3 GLN A 39 11.628 5.231 23.532 1.00 61.35 H new ATOM 0 HE21 GLN A 39 13.782 5.663 22.648 1.00 14.12 H new ATOM 0 HE22 GLN A 39 14.023 7.090 21.635 1.00 14.12 H new ATOM 619 N LEU A 40 12.221 3.363 18.991 1.00 31.45 N ATOM 620 CA LEU A 40 13.235 3.395 17.943 1.00 55.22 C ATOM 621 C LEU A 40 12.610 3.719 16.590 1.00 40.45 C ATOM 622 O LEU A 40 13.057 4.627 15.890 1.00 44.30 O ATOM 623 CB LEU A 40 13.965 2.052 17.872 1.00 0.21 C ATOM 624 CG LEU A 40 15.473 2.120 17.624 1.00 33.30 C ATOM 625 CD1 LEU A 40 16.051 0.723 17.467 1.00 64.43 C ATOM 626 CD2 LEU A 40 15.773 2.966 16.395 1.00 42.20 C ATOM 0 H LEU A 40 12.131 2.464 19.464 1.00 31.45 H new ATOM 0 HA LEU A 40 13.951 4.179 18.188 1.00 55.22 H new ATOM 0 HB2 LEU A 40 13.794 1.519 18.807 1.00 0.21 H new ATOM 0 HB3 LEU A 40 13.513 1.457 17.079 1.00 0.21 H new ATOM 0 HG LEU A 40 15.944 2.590 18.487 1.00 33.30 H new ATOM 0 HD11 LEU A 40 17.125 0.791 17.291 1.00 64.43 H new ATOM 0 HD12 LEU A 40 15.868 0.149 18.375 1.00 64.43 H new ATOM 0 HD13 LEU A 40 15.576 0.226 16.622 1.00 64.43 H new ATOM 0 HD21 LEU A 40 16.850 3.004 16.233 1.00 42.20 H new ATOM 0 HD22 LEU A 40 15.290 2.525 15.523 1.00 42.20 H new ATOM 0 HD23 LEU A 40 15.393 3.976 16.547 1.00 42.20 H new ATOM 638 N ILE A 41 11.572 2.971 16.229 1.00 52.00 N ATOM 639 CA ILE A 41 10.883 3.181 14.962 1.00 61.12 C ATOM 640 C ILE A 41 10.267 4.574 14.895 1.00 33.21 C ATOM 641 O ILE A 41 10.192 5.181 13.827 1.00 21.21 O ATOM 642 CB ILE A 41 9.779 2.131 14.741 1.00 35.13 C ATOM 643 CG1 ILE A 41 10.394 0.748 14.522 1.00 3.35 C ATOM 644 CG2 ILE A 41 8.906 2.522 13.557 1.00 33.43 C ATOM 645 CD1 ILE A 41 11.210 0.645 13.252 1.00 55.14 C ATOM 0 H ILE A 41 11.190 2.214 16.796 1.00 52.00 H new ATOM 0 HA ILE A 41 11.631 3.080 14.176 1.00 61.12 H new ATOM 0 HB ILE A 41 9.153 2.091 15.633 1.00 35.13 H new ATOM 0 HG12 ILE A 41 11.029 0.502 15.373 1.00 3.35 H new ATOM 0 HG13 ILE A 41 9.597 0.005 14.494 1.00 3.35 H new ATOM 0 HG21 ILE A 41 8.130 1.770 13.413 1.00 33.43 H new ATOM 0 HG22 ILE A 41 8.443 3.489 13.750 1.00 33.43 H new ATOM 0 HG23 ILE A 41 9.519 2.587 12.658 1.00 33.43 H new ATOM 0 HD11 ILE A 41 11.616 -0.362 13.161 1.00 55.14 H new ATOM 0 HD12 ILE A 41 10.574 0.859 12.393 1.00 55.14 H new ATOM 0 HD13 ILE A 41 12.028 1.364 13.286 1.00 55.14 H new ATOM 657 N PHE A 42 9.827 5.076 16.045 1.00 43.33 N ATOM 658 CA PHE A 42 9.218 6.399 16.119 1.00 54.34 C ATOM 659 C PHE A 42 10.189 7.472 15.636 1.00 54.01 C ATOM 660 O PHE A 42 9.856 8.285 14.772 1.00 73.34 O ATOM 661 CB PHE A 42 8.776 6.701 17.551 1.00 71.42 C ATOM 662 CG PHE A 42 8.392 8.136 17.770 1.00 12.41 C ATOM 663 CD1 PHE A 42 7.447 8.745 16.959 1.00 21.04 C ATOM 664 CD2 PHE A 42 8.974 8.876 18.786 1.00 33.21 C ATOM 665 CE1 PHE A 42 7.092 10.066 17.158 1.00 21.33 C ATOM 666 CE2 PHE A 42 8.623 10.198 18.990 1.00 55.21 C ATOM 667 CZ PHE A 42 7.680 10.793 18.175 1.00 12.43 C ATOM 0 H PHE A 42 9.881 4.586 16.938 1.00 43.33 H new ATOM 0 HA PHE A 42 8.344 6.406 15.468 1.00 54.34 H new ATOM 0 HB2 PHE A 42 7.928 6.064 17.803 1.00 71.42 H new ATOM 0 HB3 PHE A 42 9.584 6.441 18.235 1.00 71.42 H new ATOM 0 HD1 PHE A 42 6.983 8.181 16.163 1.00 21.04 H new ATOM 0 HD2 PHE A 42 9.711 8.415 19.427 1.00 33.21 H new ATOM 0 HE1 PHE A 42 6.355 10.530 16.519 1.00 21.33 H new ATOM 0 HE2 PHE A 42 9.085 10.764 19.785 1.00 55.21 H new ATOM 0 HZ PHE A 42 7.403 11.825 18.332 1.00 12.43 H new ATOM 677 N LYS A 43 11.391 7.470 16.200 1.00 24.14 N ATOM 678 CA LYS A 43 12.413 8.443 15.829 1.00 61.11 C ATOM 679 C LYS A 43 12.971 8.143 14.441 1.00 50.44 C ATOM 680 O LYS A 43 13.370 9.051 13.713 1.00 54.32 O ATOM 681 CB LYS A 43 13.546 8.440 16.857 1.00 21.51 C ATOM 682 CG LYS A 43 13.958 9.830 17.312 1.00 41.14 C ATOM 683 CD LYS A 43 14.411 9.830 18.762 1.00 24.04 C ATOM 684 CE LYS A 43 15.712 9.063 18.940 1.00 43.53 C ATOM 685 NZ LYS A 43 16.126 8.995 20.368 1.00 74.31 N ATOM 0 H LYS A 43 11.683 6.805 16.917 1.00 24.14 H new ATOM 0 HA LYS A 43 11.950 9.430 15.810 1.00 61.11 H new ATOM 0 HB2 LYS A 43 13.236 7.860 17.726 1.00 21.51 H new ATOM 0 HB3 LYS A 43 14.412 7.935 16.429 1.00 21.51 H new ATOM 0 HG2 LYS A 43 14.765 10.197 16.678 1.00 41.14 H new ATOM 0 HG3 LYS A 43 13.120 10.517 17.192 1.00 41.14 H new ATOM 0 HD2 LYS A 43 14.543 10.857 19.103 1.00 24.04 H new ATOM 0 HD3 LYS A 43 13.636 9.384 19.386 1.00 24.04 H new ATOM 0 HE2 LYS A 43 15.594 8.053 18.548 1.00 43.53 H new ATOM 0 HE3 LYS A 43 16.498 9.542 18.357 1.00 43.53 H new ATOM 0 HZ1 LYS A 43 17.017 8.464 20.446 1.00 74.31 H new ATOM 0 HZ2 LYS A 43 16.263 9.958 20.736 1.00 74.31 H new ATOM 0 HZ3 LYS A 43 15.387 8.515 20.921 1.00 74.31 H new ATOM 699 N SER A 44 12.994 6.864 14.082 1.00 51.34 N ATOM 700 CA SER A 44 13.505 6.444 12.781 1.00 73.54 C ATOM 701 C SER A 44 12.592 6.925 11.658 1.00 2.23 C ATOM 702 O SER A 44 13.049 7.535 10.691 1.00 40.01 O ATOM 703 CB SER A 44 13.638 4.921 12.730 1.00 52.31 C ATOM 704 OG SER A 44 14.665 4.468 13.595 1.00 42.01 O ATOM 0 H SER A 44 12.665 6.100 14.673 1.00 51.34 H new ATOM 0 HA SER A 44 14.489 6.892 12.642 1.00 73.54 H new ATOM 0 HB2 SER A 44 12.691 4.461 13.013 1.00 52.31 H new ATOM 0 HB3 SER A 44 13.853 4.606 11.709 1.00 52.31 H new ATOM 0 HG SER A 44 14.328 4.437 14.515 1.00 42.01 H new ATOM 710 N ILE A 45 11.300 6.646 11.794 1.00 50.14 N ATOM 711 CA ILE A 45 10.323 7.050 10.792 1.00 14.45 C ATOM 712 C ILE A 45 10.189 8.569 10.734 1.00 43.13 C ATOM 713 O ILE A 45 9.942 9.141 9.672 1.00 74.45 O ATOM 714 CB ILE A 45 8.939 6.435 11.074 1.00 31.04 C ATOM 715 CG1 ILE A 45 9.001 4.911 10.963 1.00 44.24 C ATOM 716 CG2 ILE A 45 7.902 7.000 10.113 1.00 65.55 C ATOM 717 CD1 ILE A 45 7.670 4.233 11.191 1.00 14.14 C ATOM 0 H ILE A 45 10.906 6.142 12.588 1.00 50.14 H new ATOM 0 HA ILE A 45 10.686 6.683 9.832 1.00 14.45 H new ATOM 0 HB ILE A 45 8.643 6.694 12.091 1.00 31.04 H new ATOM 0 HG12 ILE A 45 9.372 4.642 9.974 1.00 44.24 H new ATOM 0 HG13 ILE A 45 9.721 4.531 11.687 1.00 44.24 H new ATOM 0 HG21 ILE A 45 6.929 6.556 10.325 1.00 65.55 H new ATOM 0 HG22 ILE A 45 7.842 8.081 10.237 1.00 65.55 H new ATOM 0 HG23 ILE A 45 8.191 6.768 9.088 1.00 65.55 H new ATOM 0 HD11 ILE A 45 7.791 3.154 11.097 1.00 14.14 H new ATOM 0 HD12 ILE A 45 7.307 4.472 12.191 1.00 14.14 H new ATOM 0 HD13 ILE A 45 6.951 4.584 10.450 1.00 14.14 H new ATOM 729 N ASP A 46 10.358 9.215 11.882 1.00 31.32 N ATOM 730 CA ASP A 46 10.260 10.668 11.963 1.00 54.04 C ATOM 731 C ASP A 46 11.577 11.325 11.563 1.00 44.15 C ATOM 732 O ASP A 46 12.617 11.074 12.171 1.00 43.35 O ATOM 733 CB ASP A 46 9.872 11.096 13.379 1.00 64.45 C ATOM 734 CG ASP A 46 9.052 12.371 13.395 1.00 74.22 C ATOM 735 OD1 ASP A 46 9.162 13.158 12.432 1.00 12.14 O ATOM 736 OD2 ASP A 46 8.299 12.581 14.370 1.00 42.53 O ATOM 0 H ASP A 46 10.563 8.756 12.769 1.00 31.32 H new ATOM 0 HA ASP A 46 9.486 10.994 11.268 1.00 54.04 H new ATOM 0 HB2 ASP A 46 9.304 10.296 13.854 1.00 64.45 H new ATOM 0 HB3 ASP A 46 10.775 11.241 13.972 1.00 64.45 H new ATOM 741 N ALA A 47 11.525 12.166 10.535 1.00 50.20 N ATOM 742 CA ALA A 47 12.714 12.858 10.054 1.00 14.14 C ATOM 743 C ALA A 47 13.260 13.810 11.113 1.00 63.23 C ATOM 744 O ALA A 47 14.472 13.900 11.312 1.00 71.54 O ATOM 745 CB ALA A 47 12.399 13.617 8.773 1.00 61.11 C ATOM 0 H ALA A 47 10.672 12.384 10.020 1.00 50.20 H new ATOM 0 HA ALA A 47 13.480 12.111 9.844 1.00 14.14 H new ATOM 0 HB1 ALA A 47 13.295 14.130 8.424 1.00 61.11 H new ATOM 0 HB2 ALA A 47 12.061 12.917 8.009 1.00 61.11 H new ATOM 0 HB3 ALA A 47 11.615 14.349 8.967 1.00 61.11 H new ATOM 751 N ASP A 48 12.362 14.516 11.788 1.00 10.05 N ATOM 752 CA ASP A 48 12.755 15.461 12.828 1.00 2.21 C ATOM 753 C ASP A 48 12.374 14.938 14.209 1.00 72.31 C ATOM 754 O ASP A 48 12.870 15.422 15.226 1.00 2.45 O ATOM 755 CB ASP A 48 12.100 16.822 12.585 1.00 53.43 C ATOM 756 CG ASP A 48 10.587 16.733 12.527 1.00 64.43 C ATOM 757 OD1 ASP A 48 10.052 15.611 12.653 1.00 72.51 O ATOM 758 OD2 ASP A 48 9.938 17.786 12.355 1.00 32.33 O ATOM 0 H ASP A 48 11.356 14.453 11.635 1.00 10.05 H new ATOM 0 HA ASP A 48 13.838 15.576 12.789 1.00 2.21 H new ATOM 0 HB2 ASP A 48 12.391 17.509 13.380 1.00 53.43 H new ATOM 0 HB3 ASP A 48 12.473 17.240 11.650 1.00 53.43 H new ATOM 763 N GLY A 49 11.489 13.945 14.238 1.00 11.24 N ATOM 764 CA GLY A 49 11.056 13.375 15.499 1.00 62.54 C ATOM 765 C GLY A 49 10.422 14.404 16.415 1.00 45.14 C ATOM 766 O GLY A 49 10.545 14.315 17.636 1.00 34.55 O ATOM 0 H GLY A 49 11.065 13.526 13.410 1.00 11.24 H new ATOM 0 HA2 GLY A 49 10.341 12.576 15.306 1.00 62.54 H new ATOM 0 HA3 GLY A 49 11.911 12.923 16.002 1.00 62.54 H new ATOM 770 N ASN A 50 9.746 15.382 15.824 1.00 25.24 N ATOM 771 CA ASN A 50 9.093 16.435 16.594 1.00 63.22 C ATOM 772 C ASN A 50 7.712 15.987 17.065 1.00 4.24 C ATOM 773 O ASN A 50 6.697 16.342 16.468 1.00 22.24 O ATOM 774 CB ASN A 50 8.971 17.709 15.756 1.00 22.41 C ATOM 775 CG ASN A 50 8.178 17.490 14.483 1.00 54.14 C ATOM 776 OD1 ASN A 50 7.989 16.355 14.044 1.00 13.41 O ATOM 777 ND2 ASN A 50 7.708 18.578 13.884 1.00 54.15 N ATOM 0 H ASN A 50 9.635 15.468 14.814 1.00 25.24 H new ATOM 0 HA ASN A 50 9.707 16.644 17.470 1.00 63.22 H new ATOM 0 HB2 ASN A 50 8.491 18.487 16.350 1.00 22.41 H new ATOM 0 HB3 ASN A 50 9.968 18.071 15.502 1.00 22.41 H new ATOM 0 HD21 ASN A 50 7.166 18.493 13.024 1.00 54.15 H new ATOM 0 HD22 ASN A 50 7.889 19.499 14.284 1.00 54.15 H new ATOM 784 N GLY A 51 7.683 15.206 18.140 1.00 64.34 N ATOM 785 CA GLY A 51 6.423 14.723 18.672 1.00 34.34 C ATOM 786 C GLY A 51 5.751 13.721 17.754 1.00 32.34 C ATOM 787 O GLY A 51 5.276 12.679 18.205 1.00 13.42 O ATOM 0 H GLY A 51 8.510 14.899 18.652 1.00 64.34 H new ATOM 0 HA2 GLY A 51 6.596 14.261 19.644 1.00 34.34 H new ATOM 0 HA3 GLY A 51 5.753 15.568 18.835 1.00 34.34 H new ATOM 791 N GLU A 52 5.710 14.039 16.464 1.00 54.23 N ATOM 792 CA GLU A 52 5.089 13.159 15.481 1.00 75.23 C ATOM 793 C GLU A 52 5.729 13.338 14.108 1.00 23.01 C ATOM 794 O GLU A 52 6.444 14.312 13.868 1.00 13.44 O ATOM 795 CB GLU A 52 3.586 13.433 15.396 1.00 4.12 C ATOM 796 CG GLU A 52 3.238 14.912 15.387 1.00 14.12 C ATOM 797 CD GLU A 52 4.089 15.707 14.415 1.00 61.44 C ATOM 798 OE1 GLU A 52 4.107 15.357 13.217 1.00 70.13 O ATOM 799 OE2 GLU A 52 4.739 16.680 14.855 1.00 55.42 O ATOM 0 H GLU A 52 6.099 14.898 16.076 1.00 54.23 H new ATOM 0 HA GLU A 52 5.246 12.130 15.803 1.00 75.23 H new ATOM 0 HB2 GLU A 52 3.191 12.970 14.492 1.00 4.12 H new ATOM 0 HB3 GLU A 52 3.090 12.956 16.241 1.00 4.12 H new ATOM 0 HG2 GLU A 52 2.187 15.032 15.126 1.00 14.12 H new ATOM 0 HG3 GLU A 52 3.365 15.317 16.391 1.00 14.12 H new ATOM 806 N ILE A 53 5.468 12.392 13.211 1.00 25.42 N ATOM 807 CA ILE A 53 6.018 12.446 11.863 1.00 11.14 C ATOM 808 C ILE A 53 5.046 13.119 10.899 1.00 21.24 C ATOM 809 O ILE A 53 3.908 12.677 10.739 1.00 42.43 O ATOM 810 CB ILE A 53 6.355 11.040 11.335 1.00 53.15 C ATOM 811 CG1 ILE A 53 6.980 10.191 12.444 1.00 74.00 C ATOM 812 CG2 ILE A 53 7.291 11.131 10.140 1.00 22.04 C ATOM 813 CD1 ILE A 53 6.070 9.093 12.950 1.00 65.54 C ATOM 0 H ILE A 53 4.879 11.580 13.394 1.00 25.42 H new ATOM 0 HA ILE A 53 6.935 13.033 11.920 1.00 11.14 H new ATOM 0 HB ILE A 53 5.431 10.560 11.012 1.00 53.15 H new ATOM 0 HG12 ILE A 53 7.903 9.745 12.073 1.00 74.00 H new ATOM 0 HG13 ILE A 53 7.252 10.839 13.277 1.00 74.00 H new ATOM 0 HG21 ILE A 53 7.519 10.128 9.779 1.00 22.04 H new ATOM 0 HG22 ILE A 53 6.812 11.702 9.345 1.00 22.04 H new ATOM 0 HG23 ILE A 53 8.214 11.628 10.438 1.00 22.04 H new ATOM 0 HD11 ILE A 53 6.578 8.532 13.734 1.00 65.54 H new ATOM 0 HD12 ILE A 53 5.157 9.533 13.352 1.00 65.54 H new ATOM 0 HD13 ILE A 53 5.818 8.422 12.129 1.00 65.54 H new ATOM 825 N ASP A 54 5.503 14.190 10.259 1.00 33.25 N ATOM 826 CA ASP A 54 4.675 14.923 9.309 1.00 1.23 C ATOM 827 C ASP A 54 4.655 14.224 7.952 1.00 73.24 C ATOM 828 O ASP A 54 5.537 13.423 7.645 1.00 33.20 O ATOM 829 CB ASP A 54 5.188 16.355 9.150 1.00 24.20 C ATOM 830 CG ASP A 54 5.187 17.119 10.459 1.00 73.51 C ATOM 831 OD1 ASP A 54 4.198 17.001 11.214 1.00 21.23 O ATOM 832 OD2 ASP A 54 6.174 17.833 10.731 1.00 22.13 O ATOM 0 H ASP A 54 6.442 14.569 10.381 1.00 33.25 H new ATOM 0 HA ASP A 54 3.658 14.951 9.699 1.00 1.23 H new ATOM 0 HB2 ASP A 54 6.200 16.332 8.747 1.00 24.20 H new ATOM 0 HB3 ASP A 54 4.568 16.882 8.425 1.00 24.20 H new ATOM 837 N GLN A 55 3.643 14.533 7.148 1.00 44.12 N ATOM 838 CA GLN A 55 3.509 13.932 5.826 1.00 0.21 C ATOM 839 C GLN A 55 4.790 14.106 5.016 1.00 54.22 C ATOM 840 O GLN A 55 5.274 13.162 4.394 1.00 12.14 O ATOM 841 CB GLN A 55 2.330 14.556 5.077 1.00 52.34 C ATOM 842 CG GLN A 55 2.376 16.074 5.026 1.00 11.51 C ATOM 843 CD GLN A 55 1.096 16.678 4.481 1.00 64.51 C ATOM 844 OE1 GLN A 55 1.116 17.419 3.498 1.00 74.10 O ATOM 845 NE2 GLN A 55 -0.025 16.364 5.119 1.00 34.33 N ATOM 0 H GLN A 55 2.905 15.195 7.388 1.00 44.12 H new ATOM 0 HA GLN A 55 3.325 12.866 5.956 1.00 0.21 H new ATOM 0 HB2 GLN A 55 2.310 14.167 4.059 1.00 52.34 H new ATOM 0 HB3 GLN A 55 1.401 14.245 5.555 1.00 52.34 H new ATOM 0 HG2 GLN A 55 2.559 16.462 6.028 1.00 11.51 H new ATOM 0 HG3 GLN A 55 3.215 16.388 4.405 1.00 11.51 H new ATOM 0 HE21 GLN A 55 0.006 15.746 5.930 1.00 34.33 H new ATOM 0 HE22 GLN A 55 -0.917 16.741 4.798 1.00 34.33 H new ATOM 854 N ASN A 56 5.333 15.319 5.029 1.00 73.43 N ATOM 855 CA ASN A 56 6.557 15.617 4.296 1.00 41.54 C ATOM 856 C ASN A 56 7.700 14.716 4.755 1.00 54.03 C ATOM 857 O ASN A 56 8.381 14.096 3.939 1.00 22.32 O ATOM 858 CB ASN A 56 6.944 17.085 4.482 1.00 44.33 C ATOM 859 CG ASN A 56 7.514 17.697 3.218 1.00 5.51 C ATOM 860 OD1 ASN A 56 6.993 17.486 2.122 1.00 44.25 O ATOM 861 ND2 ASN A 56 8.590 18.462 3.363 1.00 34.41 N ATOM 0 H ASN A 56 4.944 16.112 5.540 1.00 73.43 H new ATOM 0 HA ASN A 56 6.372 15.429 3.239 1.00 41.54 H new ATOM 0 HB2 ASN A 56 6.067 17.652 4.794 1.00 44.33 H new ATOM 0 HB3 ASN A 56 7.677 17.166 5.284 1.00 44.33 H new ATOM 0 HD21 ASN A 56 9.017 18.901 2.548 1.00 34.41 H new ATOM 0 HD22 ASN A 56 8.989 18.610 4.290 1.00 34.41 H new ATOM 868 N GLU A 57 7.902 14.648 6.068 1.00 52.31 N ATOM 869 CA GLU A 57 8.961 13.822 6.635 1.00 11.30 C ATOM 870 C GLU A 57 8.763 12.355 6.269 1.00 41.03 C ATOM 871 O GLU A 57 9.717 11.652 5.934 1.00 41.52 O ATOM 872 CB GLU A 57 9.000 13.979 8.157 1.00 43.22 C ATOM 873 CG GLU A 57 9.205 15.412 8.616 1.00 34.15 C ATOM 874 CD GLU A 57 8.596 15.681 9.979 1.00 10.10 C ATOM 875 OE1 GLU A 57 8.172 14.711 10.642 1.00 13.44 O ATOM 876 OE2 GLU A 57 8.545 16.861 10.382 1.00 23.52 O ATOM 0 H GLU A 57 7.347 15.155 6.757 1.00 52.31 H new ATOM 0 HA GLU A 57 9.911 14.157 6.217 1.00 11.30 H new ATOM 0 HB2 GLU A 57 8.067 13.602 8.577 1.00 43.22 H new ATOM 0 HB3 GLU A 57 9.803 13.360 8.557 1.00 43.22 H new ATOM 0 HG2 GLU A 57 10.273 15.629 8.650 1.00 34.15 H new ATOM 0 HG3 GLU A 57 8.765 16.090 7.885 1.00 34.15 H new ATOM 883 N PHE A 58 7.517 11.897 6.336 1.00 2.45 N ATOM 884 CA PHE A 58 7.193 10.513 6.013 1.00 51.45 C ATOM 885 C PHE A 58 7.520 10.203 4.555 1.00 44.12 C ATOM 886 O PHE A 58 8.089 9.156 4.245 1.00 11.00 O ATOM 887 CB PHE A 58 5.712 10.237 6.284 1.00 42.24 C ATOM 888 CG PHE A 58 5.388 8.775 6.411 1.00 24.02 C ATOM 889 CD1 PHE A 58 5.503 8.131 7.632 1.00 52.43 C ATOM 890 CD2 PHE A 58 4.968 8.048 5.310 1.00 54.13 C ATOM 891 CE1 PHE A 58 5.206 6.786 7.751 1.00 32.21 C ATOM 892 CE2 PHE A 58 4.668 6.702 5.423 1.00 24.42 C ATOM 893 CZ PHE A 58 4.787 6.071 6.646 1.00 10.13 C ATOM 0 H PHE A 58 6.715 12.465 6.611 1.00 2.45 H new ATOM 0 HA PHE A 58 7.799 9.867 6.648 1.00 51.45 H new ATOM 0 HB2 PHE A 58 5.417 10.747 7.201 1.00 42.24 H new ATOM 0 HB3 PHE A 58 5.117 10.664 5.476 1.00 42.24 H new ATOM 0 HD1 PHE A 58 5.828 8.685 8.500 1.00 52.43 H new ATOM 0 HD2 PHE A 58 4.873 8.537 4.352 1.00 54.13 H new ATOM 0 HE1 PHE A 58 5.302 6.294 8.708 1.00 32.21 H new ATOM 0 HE2 PHE A 58 4.341 6.146 4.557 1.00 24.42 H new ATOM 0 HZ PHE A 58 4.553 5.021 6.738 1.00 10.13 H new ATOM 903 N ALA A 59 7.157 11.120 3.666 1.00 13.34 N ATOM 904 CA ALA A 59 7.413 10.947 2.241 1.00 3.10 C ATOM 905 C ALA A 59 8.909 10.840 1.961 1.00 72.34 C ATOM 906 O ALA A 59 9.361 9.907 1.296 1.00 21.42 O ATOM 907 CB ALA A 59 6.808 12.098 1.452 1.00 3.31 C ATOM 0 H ALA A 59 6.684 11.991 3.907 1.00 13.34 H new ATOM 0 HA ALA A 59 6.943 10.017 1.923 1.00 3.10 H new ATOM 0 HB1 ALA A 59 7.007 11.955 0.390 1.00 3.31 H new ATOM 0 HB2 ALA A 59 5.731 12.127 1.619 1.00 3.31 H new ATOM 0 HB3 ALA A 59 7.252 13.038 1.781 1.00 3.31 H new ATOM 913 N LYS A 60 9.672 11.799 2.472 1.00 10.25 N ATOM 914 CA LYS A 60 11.116 11.813 2.279 1.00 45.32 C ATOM 915 C LYS A 60 11.766 10.603 2.942 1.00 44.24 C ATOM 916 O LYS A 60 12.846 10.167 2.540 1.00 55.33 O ATOM 917 CB LYS A 60 11.716 13.102 2.846 1.00 71.43 C ATOM 918 CG LYS A 60 11.630 14.283 1.896 1.00 34.10 C ATOM 919 CD LYS A 60 11.576 15.602 2.649 1.00 4.22 C ATOM 920 CE LYS A 60 12.801 16.457 2.361 1.00 13.55 C ATOM 921 NZ LYS A 60 14.044 15.849 2.911 1.00 35.54 N ATOM 0 H LYS A 60 9.313 12.578 3.024 1.00 10.25 H new ATOM 0 HA LYS A 60 11.314 11.768 1.208 1.00 45.32 H new ATOM 0 HB2 LYS A 60 11.202 13.355 3.773 1.00 71.43 H new ATOM 0 HB3 LYS A 60 12.761 12.925 3.099 1.00 71.43 H new ATOM 0 HG2 LYS A 60 12.493 14.279 1.230 1.00 34.10 H new ATOM 0 HG3 LYS A 60 10.743 14.184 1.270 1.00 34.10 H new ATOM 0 HD2 LYS A 60 10.675 16.147 2.366 1.00 4.22 H new ATOM 0 HD3 LYS A 60 11.509 15.409 3.720 1.00 4.22 H new ATOM 0 HE2 LYS A 60 12.907 16.589 1.284 1.00 13.55 H new ATOM 0 HE3 LYS A 60 12.661 17.449 2.791 1.00 13.55 H new ATOM 0 HZ1 LYS A 60 14.856 16.462 2.694 1.00 35.54 H new ATOM 0 HZ2 LYS A 60 13.954 15.747 3.942 1.00 35.54 H new ATOM 0 HZ3 LYS A 60 14.192 14.913 2.482 1.00 35.54 H new ATOM 935 N PHE A 61 11.102 10.063 3.958 1.00 12.33 N ATOM 936 CA PHE A 61 11.614 8.902 4.676 1.00 24.13 C ATOM 937 C PHE A 61 11.351 7.619 3.895 1.00 71.00 C ATOM 938 O PHE A 61 12.160 6.691 3.911 1.00 21.54 O ATOM 939 CB PHE A 61 10.974 8.809 6.063 1.00 12.14 C ATOM 940 CG PHE A 61 11.033 7.433 6.659 1.00 21.21 C ATOM 941 CD1 PHE A 61 12.244 6.774 6.794 1.00 51.04 C ATOM 942 CD2 PHE A 61 9.878 6.797 7.085 1.00 33.11 C ATOM 943 CE1 PHE A 61 12.302 5.507 7.344 1.00 65.45 C ATOM 944 CE2 PHE A 61 9.930 5.531 7.636 1.00 22.03 C ATOM 945 CZ PHE A 61 11.143 4.884 7.764 1.00 62.13 C ATOM 0 H PHE A 61 10.207 10.411 4.303 1.00 12.33 H new ATOM 0 HA PHE A 61 12.691 9.023 4.788 1.00 24.13 H new ATOM 0 HB2 PHE A 61 11.475 9.508 6.733 1.00 12.14 H new ATOM 0 HB3 PHE A 61 9.932 9.123 5.995 1.00 12.14 H new ATOM 0 HD1 PHE A 61 13.153 7.256 6.466 1.00 51.04 H new ATOM 0 HD2 PHE A 61 8.926 7.297 6.985 1.00 33.11 H new ATOM 0 HE1 PHE A 61 13.253 5.005 7.445 1.00 65.45 H new ATOM 0 HE2 PHE A 61 9.022 5.048 7.966 1.00 22.03 H new ATOM 0 HZ PHE A 61 11.185 3.893 8.192 1.00 62.13 H new ATOM 955 N TYR A 62 10.213 7.573 3.211 1.00 34.24 N ATOM 956 CA TYR A 62 9.839 6.403 2.426 1.00 30.22 C ATOM 957 C TYR A 62 10.883 6.112 1.352 1.00 1.33 C ATOM 958 O TYR A 62 11.123 6.932 0.465 1.00 52.32 O ATOM 959 CB TYR A 62 8.469 6.613 1.778 1.00 22.54 C ATOM 960 CG TYR A 62 8.073 5.506 0.828 1.00 41.21 C ATOM 961 CD1 TYR A 62 7.518 4.324 1.300 1.00 73.23 C ATOM 962 CD2 TYR A 62 8.254 5.643 -0.543 1.00 42.42 C ATOM 963 CE1 TYR A 62 7.154 3.309 0.436 1.00 61.12 C ATOM 964 CE2 TYR A 62 7.892 4.634 -1.415 1.00 41.42 C ATOM 965 CZ TYR A 62 7.343 3.469 -0.921 1.00 4.12 C ATOM 966 OH TYR A 62 6.983 2.462 -1.786 1.00 51.23 O ATOM 0 H TYR A 62 9.533 8.333 3.185 1.00 34.24 H new ATOM 0 HA TYR A 62 9.787 5.547 3.099 1.00 30.22 H new ATOM 0 HB2 TYR A 62 7.715 6.696 2.561 1.00 22.54 H new ATOM 0 HB3 TYR A 62 8.473 7.560 1.238 1.00 22.54 H new ATOM 0 HD1 TYR A 62 7.368 4.196 2.362 1.00 73.23 H new ATOM 0 HD2 TYR A 62 8.685 6.553 -0.933 1.00 42.42 H new ATOM 0 HE1 TYR A 62 6.724 2.396 0.821 1.00 61.12 H new ATOM 0 HE2 TYR A 62 8.038 4.757 -2.478 1.00 41.42 H new ATOM 0 HH TYR A 62 7.181 2.735 -2.706 1.00 51.23 H new ATOM 976 N GLY A 63 11.501 4.938 1.438 1.00 1.55 N ATOM 977 CA GLY A 63 12.512 4.559 0.468 1.00 13.42 C ATOM 978 C GLY A 63 13.868 5.158 0.780 1.00 42.12 C ATOM 979 O GLY A 63 14.820 4.987 0.018 1.00 44.33 O ATOM 0 H GLY A 63 11.320 4.243 2.162 1.00 1.55 H new ATOM 0 HA2 GLY A 63 12.596 3.473 0.441 1.00 13.42 H new ATOM 0 HA3 GLY A 63 12.197 4.879 -0.525 1.00 13.42 H new ATOM 983 N SER A 64 13.959 5.863 1.903 1.00 71.31 N ATOM 984 CA SER A 64 15.209 6.494 2.312 1.00 53.41 C ATOM 985 C SER A 64 15.993 5.585 3.252 1.00 61.42 C ATOM 986 O SER A 64 16.794 6.055 4.062 1.00 53.12 O ATOM 987 CB SER A 64 14.928 7.834 2.993 1.00 74.44 C ATOM 988 OG SER A 64 16.134 8.480 3.363 1.00 41.12 O ATOM 0 H SER A 64 13.182 6.012 2.546 1.00 71.31 H new ATOM 0 HA SER A 64 15.810 6.668 1.420 1.00 53.41 H new ATOM 0 HB2 SER A 64 14.360 8.476 2.320 1.00 74.44 H new ATOM 0 HB3 SER A 64 14.311 7.674 3.877 1.00 74.44 H new ATOM 0 HG SER A 64 16.727 7.837 3.806 1.00 41.12 H new ATOM 994 N ILE A 65 15.758 4.282 3.139 1.00 60.34 N ATOM 995 CA ILE A 65 16.444 3.307 3.978 1.00 34.32 C ATOM 996 C ILE A 65 17.709 2.791 3.300 1.00 74.33 C ATOM 997 O ILE A 65 18.260 1.763 3.694 1.00 33.33 O ATOM 998 CB ILE A 65 15.531 2.112 4.314 1.00 11.14 C ATOM 999 CG1 ILE A 65 14.106 2.594 4.593 1.00 13.20 C ATOM 1000 CG2 ILE A 65 16.079 1.345 5.507 1.00 22.34 C ATOM 1001 CD1 ILE A 65 13.181 2.467 3.402 1.00 4.42 C ATOM 0 H ILE A 65 15.098 3.877 2.475 1.00 60.34 H new ATOM 0 HA ILE A 65 16.713 3.819 4.902 1.00 34.32 H new ATOM 0 HB ILE A 65 15.506 1.440 3.456 1.00 11.14 H new ATOM 0 HG12 ILE A 65 13.694 2.023 5.425 1.00 13.20 H new ATOM 0 HG13 ILE A 65 14.139 3.637 4.908 1.00 13.20 H new ATOM 0 HG21 ILE A 65 15.423 0.504 5.732 1.00 22.34 H new ATOM 0 HG22 ILE A 65 17.077 0.974 5.274 1.00 22.34 H new ATOM 0 HG23 ILE A 65 16.131 2.006 6.372 1.00 22.34 H new ATOM 0 HD11 ILE A 65 12.188 2.827 3.672 1.00 4.42 H new ATOM 0 HD12 ILE A 65 13.570 3.061 2.575 1.00 4.42 H new ATOM 0 HD13 ILE A 65 13.118 1.422 3.100 1.00 4.42 H new ATOM 1013 N GLN A 66 18.164 3.513 2.283 1.00 4.54 N ATOM 1014 CA GLN A 66 19.365 3.128 1.551 1.00 23.34 C ATOM 1015 C GLN A 66 20.585 3.136 2.466 1.00 70.25 C ATOM 1016 O GLN A 66 20.703 4.028 3.304 1.00 65.45 O ATOM 1017 CB GLN A 66 19.593 4.074 0.369 1.00 64.54 C ATOM 1018 CG GLN A 66 19.079 3.528 -0.953 1.00 4.32 C ATOM 1019 CD GLN A 66 20.150 3.494 -2.025 1.00 45.43 C ATOM 1020 OE1 GLN A 66 20.304 2.498 -2.734 1.00 35.25 O ATOM 1021 NE2 GLN A 66 20.899 4.583 -2.151 1.00 62.33 N ATOM 0 H GLN A 66 17.720 4.367 1.947 1.00 4.54 H new ATOM 0 HA GLN A 66 19.222 2.115 1.174 1.00 23.34 H new ATOM 0 HB2 GLN A 66 19.102 5.025 0.575 1.00 64.54 H new ATOM 0 HB3 GLN A 66 20.660 4.279 0.278 1.00 64.54 H new ATOM 0 HG2 GLN A 66 18.691 2.521 -0.800 1.00 4.32 H new ATOM 0 HG3 GLN A 66 18.246 4.142 -1.296 1.00 4.32 H new ATOM 0 HE21 GLN A 66 20.738 5.386 -1.543 1.00 62.33 H new ATOM 0 HE22 GLN A 66 21.636 4.617 -2.856 1.00 62.33 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -3.014 11.880 13.324 1.00 11.40 CA HETATM 1032 CA CA A 102 7.404 15.658 13.132 1.00 73.30 CA