USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 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 170:sc= 0 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.175 (180deg=-2.26) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0989 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.0281 (180deg=-1.19) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= -1.05 (180deg=-1.88) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= -0.0788 (180deg=-0.336) USER MOD Single : A 34 ASN : amide:sc= -2.31 X(o=-2.3,f=-2.3) USER MOD Single : A 36 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.028) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0286 (180deg=-0.268) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.27! C(o=-7.3!,f=-16!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.0753 (180deg=-0.406) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -62:sc= 0.937 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.596 4.740 -1.805 1.00 25.21 N ATOM 2 CA MET A 1 -0.798 3.715 -2.468 1.00 40.51 C ATOM 3 C MET A 1 0.621 3.686 -1.910 1.00 1.43 C ATOM 4 O MET A 1 1.166 2.619 -1.628 1.00 32.11 O ATOM 5 CB MET A 1 -0.759 3.965 -3.976 1.00 42.15 C ATOM 6 CG MET A 1 -2.134 4.165 -4.595 1.00 1.31 C ATOM 7 SD MET A 1 -3.140 2.669 -4.549 1.00 52.31 S ATOM 8 CE MET A 1 -4.524 3.222 -3.557 1.00 12.44 C ATOM 0 H1 MET A 1 -2.566 4.390 -1.668 1.00 25.21 H new ATOM 0 H2 MET A 1 -1.175 4.964 -0.881 1.00 25.21 H new ATOM 0 H3 MET A 1 -1.617 5.598 -2.393 1.00 25.21 H new ATOM 0 HA MET A 1 -1.264 2.748 -2.279 1.00 40.51 H new ATOM 0 HB2 MET A 1 -0.149 4.846 -4.174 1.00 42.15 H new ATOM 0 HB3 MET A 1 -0.269 3.122 -4.463 1.00 42.15 H new ATOM 0 HG2 MET A 1 -2.654 4.964 -4.066 1.00 1.31 H new ATOM 0 HG3 MET A 1 -2.019 4.489 -5.629 1.00 1.31 H new ATOM 0 HE1 MET A 1 -5.314 2.472 -3.585 1.00 12.44 H new ATOM 0 HE2 MET A 1 -4.198 3.368 -2.527 1.00 12.44 H new ATOM 0 HE3 MET A 1 -4.903 4.164 -3.954 1.00 12.44 H new ATOM 18 N ALA A 2 1.216 4.865 -1.752 1.00 54.02 N ATOM 19 CA ALA A 2 2.570 4.974 -1.226 1.00 31.35 C ATOM 20 C ALA A 2 2.590 5.758 0.082 1.00 54.13 C ATOM 21 O ALA A 2 2.833 5.197 1.149 1.00 5.12 O ATOM 22 CB ALA A 2 3.483 5.630 -2.251 1.00 60.14 C ATOM 0 H ALA A 2 0.780 5.758 -1.981 1.00 54.02 H new ATOM 0 HA ALA A 2 2.936 3.968 -1.021 1.00 31.35 H new ATOM 0 HB1 ALA A 2 4.492 5.705 -1.845 1.00 60.14 H new ATOM 0 HB2 ALA A 2 3.502 5.028 -3.160 1.00 60.14 H new ATOM 0 HB3 ALA A 2 3.111 6.628 -2.484 1.00 60.14 H new ATOM 28 N GLU A 3 2.333 7.059 -0.011 1.00 33.23 N ATOM 29 CA GLU A 3 2.322 7.920 1.166 1.00 23.12 C ATOM 30 C GLU A 3 0.893 8.237 1.597 1.00 32.33 C ATOM 31 O GLU A 3 0.646 8.599 2.747 1.00 53.42 O ATOM 32 CB GLU A 3 3.081 9.218 0.882 1.00 12.42 C ATOM 33 CG GLU A 3 2.560 9.976 -0.328 1.00 72.23 C ATOM 34 CD GLU A 3 3.377 9.713 -1.577 1.00 61.41 C ATOM 35 OE1 GLU A 3 4.448 10.337 -1.729 1.00 72.11 O ATOM 36 OE2 GLU A 3 2.946 8.880 -2.404 1.00 1.45 O ATOM 0 H GLU A 3 2.130 7.539 -0.888 1.00 33.23 H new ATOM 0 HA GLU A 3 2.817 7.388 1.978 1.00 23.12 H new ATOM 0 HB2 GLU A 3 3.020 9.864 1.758 1.00 12.42 H new ATOM 0 HB3 GLU A 3 4.135 8.987 0.729 1.00 12.42 H new ATOM 0 HG2 GLU A 3 1.523 9.693 -0.510 1.00 72.23 H new ATOM 0 HG3 GLU A 3 2.566 11.045 -0.113 1.00 72.23 H new ATOM 43 N ALA A 4 -0.043 8.098 0.665 1.00 74.22 N ATOM 44 CA ALA A 4 -1.448 8.367 0.948 1.00 75.03 C ATOM 45 C ALA A 4 -1.925 7.578 2.162 1.00 22.01 C ATOM 46 O ALA A 4 -2.876 7.973 2.838 1.00 13.34 O ATOM 47 CB ALA A 4 -2.304 8.038 -0.267 1.00 43.14 C ATOM 0 H ALA A 4 0.145 7.801 -0.292 1.00 74.22 H new ATOM 0 HA ALA A 4 -1.550 9.428 1.174 1.00 75.03 H new ATOM 0 HB1 ALA A 4 -3.350 8.244 -0.041 1.00 43.14 H new ATOM 0 HB2 ALA A 4 -1.988 8.650 -1.111 1.00 43.14 H new ATOM 0 HB3 ALA A 4 -2.188 6.984 -0.519 1.00 43.14 H new ATOM 53 N LEU A 5 -1.260 6.460 2.434 1.00 13.54 N ATOM 54 CA LEU A 5 -1.617 5.615 3.568 1.00 51.52 C ATOM 55 C LEU A 5 -1.427 6.361 4.885 1.00 73.01 C ATOM 56 O LEU A 5 -2.218 6.210 5.816 1.00 73.42 O ATOM 57 CB LEU A 5 -0.772 4.339 3.564 1.00 12.54 C ATOM 58 CG LEU A 5 -0.463 3.744 2.191 1.00 40.13 C ATOM 59 CD1 LEU A 5 0.244 2.405 2.337 1.00 53.14 C ATOM 60 CD2 LEU A 5 -1.739 3.589 1.377 1.00 55.35 C ATOM 0 H LEU A 5 -0.471 6.118 1.885 1.00 13.54 H new ATOM 0 HA LEU A 5 -2.669 5.347 3.473 1.00 51.52 H new ATOM 0 HB2 LEU A 5 0.172 4.550 4.067 1.00 12.54 H new ATOM 0 HB3 LEU A 5 -1.287 3.584 4.157 1.00 12.54 H new ATOM 0 HG LEU A 5 0.201 4.427 1.661 1.00 40.13 H new ATOM 0 HD11 LEU A 5 0.456 1.996 1.349 1.00 53.14 H new ATOM 0 HD12 LEU A 5 1.179 2.544 2.880 1.00 53.14 H new ATOM 0 HD13 LEU A 5 -0.395 1.714 2.886 1.00 53.14 H new ATOM 0 HD21 LEU A 5 -1.499 3.164 0.402 1.00 55.35 H new ATOM 0 HD22 LEU A 5 -2.428 2.927 1.902 1.00 55.35 H new ATOM 0 HD23 LEU A 5 -2.206 4.565 1.242 1.00 55.35 H new ATOM 72 N PHE A 6 -0.374 7.169 4.954 1.00 72.43 N ATOM 73 CA PHE A 6 -0.081 7.940 6.157 1.00 4.43 C ATOM 74 C PHE A 6 -1.203 8.931 6.455 1.00 25.34 C ATOM 75 O PHE A 6 -1.682 9.020 7.585 1.00 14.53 O ATOM 76 CB PHE A 6 1.246 8.686 5.999 1.00 54.54 C ATOM 77 CG PHE A 6 1.401 9.841 6.948 1.00 63.55 C ATOM 78 CD1 PHE A 6 0.824 11.068 6.667 1.00 12.40 C ATOM 79 CD2 PHE A 6 2.125 9.696 8.120 1.00 13.33 C ATOM 80 CE1 PHE A 6 0.964 12.132 7.539 1.00 24.11 C ATOM 81 CE2 PHE A 6 2.269 10.756 8.996 1.00 54.21 C ATOM 82 CZ PHE A 6 1.689 11.975 8.704 1.00 12.15 C ATOM 0 H PHE A 6 0.290 7.307 4.192 1.00 72.43 H new ATOM 0 HA PHE A 6 -0.002 7.246 6.994 1.00 4.43 H new ATOM 0 HB2 PHE A 6 2.068 7.986 6.153 1.00 54.54 H new ATOM 0 HB3 PHE A 6 1.328 9.053 4.976 1.00 54.54 H new ATOM 0 HD1 PHE A 6 0.258 11.195 5.756 1.00 12.40 H new ATOM 0 HD2 PHE A 6 2.582 8.745 8.352 1.00 13.33 H new ATOM 0 HE1 PHE A 6 0.508 13.084 7.310 1.00 24.11 H new ATOM 0 HE2 PHE A 6 2.834 10.631 9.908 1.00 54.21 H new ATOM 0 HZ PHE A 6 1.802 12.805 9.386 1.00 12.15 H new ATOM 92 N LYS A 7 -1.616 9.672 5.433 1.00 12.22 N ATOM 93 CA LYS A 7 -2.681 10.656 5.583 1.00 55.31 C ATOM 94 C LYS A 7 -4.042 9.974 5.681 1.00 0.32 C ATOM 95 O LYS A 7 -4.973 10.511 6.280 1.00 73.22 O ATOM 96 CB LYS A 7 -2.672 11.632 4.404 1.00 4.44 C ATOM 97 CG LYS A 7 -1.863 12.891 4.664 1.00 53.51 C ATOM 98 CD LYS A 7 -2.487 13.739 5.760 1.00 71.53 C ATOM 99 CE LYS A 7 -3.883 14.205 5.378 1.00 61.25 C ATOM 100 NZ LYS A 7 -4.106 15.634 5.731 1.00 32.10 N ATOM 0 H LYS A 7 -1.229 9.610 4.491 1.00 12.22 H new ATOM 0 HA LYS A 7 -2.503 11.209 6.506 1.00 55.31 H new ATOM 0 HB2 LYS A 7 -2.269 11.126 3.527 1.00 4.44 H new ATOM 0 HB3 LYS A 7 -3.698 11.912 4.167 1.00 4.44 H new ATOM 0 HG2 LYS A 7 -0.846 12.619 4.948 1.00 53.51 H new ATOM 0 HG3 LYS A 7 -1.793 13.475 3.746 1.00 53.51 H new ATOM 0 HD2 LYS A 7 -2.535 13.163 6.684 1.00 71.53 H new ATOM 0 HD3 LYS A 7 -1.854 14.605 5.956 1.00 71.53 H new ATOM 0 HE2 LYS A 7 -4.031 14.068 4.307 1.00 61.25 H new ATOM 0 HE3 LYS A 7 -4.624 13.586 5.884 1.00 61.25 H new ATOM 0 HZ1 LYS A 7 -5.069 15.914 5.455 1.00 32.10 H new ATOM 0 HZ2 LYS A 7 -3.990 15.760 6.757 1.00 32.10 H new ATOM 0 HZ3 LYS A 7 -3.416 16.228 5.228 1.00 32.10 H new ATOM 114 N GLU A 8 -4.149 8.788 5.089 1.00 12.15 N ATOM 115 CA GLU A 8 -5.396 8.034 5.111 1.00 73.02 C ATOM 116 C GLU A 8 -5.733 7.582 6.529 1.00 74.21 C ATOM 117 O GLU A 8 -6.875 7.702 6.975 1.00 71.10 O ATOM 118 CB GLU A 8 -5.300 6.819 4.186 1.00 64.52 C ATOM 119 CG GLU A 8 -6.605 6.054 4.048 1.00 23.42 C ATOM 120 CD GLU A 8 -7.292 6.307 2.720 1.00 62.44 C ATOM 121 OE1 GLU A 8 -7.836 7.414 2.536 1.00 12.51 O ATOM 122 OE2 GLU A 8 -7.286 5.396 1.866 1.00 22.43 O ATOM 0 H GLU A 8 -3.387 8.330 4.589 1.00 12.15 H new ATOM 0 HA GLU A 8 -6.193 8.688 4.757 1.00 73.02 H new ATOM 0 HB2 GLU A 8 -4.976 7.149 3.199 1.00 64.52 H new ATOM 0 HB3 GLU A 8 -4.532 6.145 4.564 1.00 64.52 H new ATOM 0 HG2 GLU A 8 -6.409 4.987 4.154 1.00 23.42 H new ATOM 0 HG3 GLU A 8 -7.275 6.337 4.859 1.00 23.42 H new ATOM 129 N ILE A 9 -4.733 7.063 7.232 1.00 44.21 N ATOM 130 CA ILE A 9 -4.923 6.593 8.599 1.00 52.22 C ATOM 131 C ILE A 9 -5.190 7.756 9.547 1.00 15.35 C ATOM 132 O ILE A 9 -5.865 7.599 10.565 1.00 22.10 O ATOM 133 CB ILE A 9 -3.696 5.809 9.101 1.00 61.05 C ATOM 134 CG1 ILE A 9 -3.826 4.328 8.735 1.00 73.01 C ATOM 135 CG2 ILE A 9 -3.539 5.976 10.605 1.00 51.05 C ATOM 136 CD1 ILE A 9 -3.750 4.064 7.247 1.00 2.33 C ATOM 0 H ILE A 9 -3.782 6.957 6.878 1.00 44.21 H new ATOM 0 HA ILE A 9 -5.788 5.930 8.587 1.00 52.22 H new ATOM 0 HB ILE A 9 -2.805 6.208 8.616 1.00 61.05 H new ATOM 0 HG12 ILE A 9 -3.037 3.768 9.236 1.00 73.01 H new ATOM 0 HG13 ILE A 9 -4.775 3.950 9.115 1.00 73.01 H new ATOM 0 HG21 ILE A 9 -2.668 5.416 10.944 1.00 51.05 H new ATOM 0 HG22 ILE A 9 -3.407 7.032 10.842 1.00 51.05 H new ATOM 0 HG23 ILE A 9 -4.430 5.600 11.108 1.00 51.05 H new ATOM 0 HD11 ILE A 9 -3.849 2.994 7.062 1.00 2.33 H new ATOM 0 HD12 ILE A 9 -4.556 4.596 6.741 1.00 2.33 H new ATOM 0 HD13 ILE A 9 -2.790 4.411 6.865 1.00 2.33 H new ATOM 148 N ASP A 10 -4.659 8.926 9.206 1.00 43.12 N ATOM 149 CA ASP A 10 -4.842 10.118 10.026 1.00 75.13 C ATOM 150 C ASP A 10 -6.263 10.658 9.890 1.00 63.53 C ATOM 151 O ASP A 10 -6.496 11.660 9.215 1.00 34.13 O ATOM 152 CB ASP A 10 -3.834 11.197 9.626 1.00 34.54 C ATOM 153 CG ASP A 10 -2.446 10.922 10.171 1.00 31.31 C ATOM 154 OD1 ASP A 10 -2.060 9.736 10.239 1.00 24.53 O ATOM 155 OD2 ASP A 10 -1.746 11.892 10.528 1.00 33.52 O ATOM 0 H ASP A 10 -4.098 9.074 8.367 1.00 43.12 H new ATOM 0 HA ASP A 10 -4.675 9.842 11.067 1.00 75.13 H new ATOM 0 HB2 ASP A 10 -3.788 11.262 8.539 1.00 34.54 H new ATOM 0 HB3 ASP A 10 -4.179 12.165 9.989 1.00 34.54 H new ATOM 160 N VAL A 11 -7.210 9.984 10.536 1.00 71.23 N ATOM 161 CA VAL A 11 -8.608 10.394 10.488 1.00 2.40 C ATOM 162 C VAL A 11 -8.792 11.788 11.077 1.00 1.24 C ATOM 163 O VAL A 11 -9.809 12.441 10.848 1.00 3.23 O ATOM 164 CB VAL A 11 -9.511 9.404 11.248 1.00 10.41 C ATOM 165 CG1 VAL A 11 -10.978 9.733 11.015 1.00 62.11 C ATOM 166 CG2 VAL A 11 -9.202 7.975 10.830 1.00 71.44 C ATOM 0 H VAL A 11 -7.034 9.152 11.099 1.00 71.23 H new ATOM 0 HA VAL A 11 -8.898 10.405 9.437 1.00 2.40 H new ATOM 0 HB VAL A 11 -9.309 9.498 12.315 1.00 10.41 H new ATOM 0 HG11 VAL A 11 -11.601 9.023 11.559 1.00 62.11 H new ATOM 0 HG12 VAL A 11 -11.185 10.743 11.368 1.00 62.11 H new ATOM 0 HG13 VAL A 11 -11.201 9.669 9.950 1.00 62.11 H new ATOM 0 HG21 VAL A 11 -9.849 7.288 11.376 1.00 71.44 H new ATOM 0 HG22 VAL A 11 -9.376 7.863 9.760 1.00 71.44 H new ATOM 0 HG23 VAL A 11 -8.160 7.748 11.054 1.00 71.44 H new ATOM 176 N ASN A 12 -7.799 12.239 11.838 1.00 31.54 N ATOM 177 CA ASN A 12 -7.850 13.556 12.461 1.00 74.31 C ATOM 178 C ASN A 12 -7.416 14.640 11.479 1.00 61.50 C ATOM 179 O ASN A 12 -7.413 15.825 11.808 1.00 35.24 O ATOM 180 CB ASN A 12 -6.959 13.590 13.704 1.00 35.04 C ATOM 181 CG ASN A 12 -5.619 12.919 13.474 1.00 54.12 C ATOM 182 OD1 ASN A 12 -5.144 12.831 12.341 1.00 32.41 O ATOM 183 ND2 ASN A 12 -5.003 12.444 14.550 1.00 50.13 N ATOM 0 H ASN A 12 -6.949 11.711 12.038 1.00 31.54 H new ATOM 0 HA ASN A 12 -8.881 13.751 12.756 1.00 74.31 H new ATOM 0 HB2 ASN A 12 -6.797 14.626 14.003 1.00 35.04 H new ATOM 0 HB3 ASN A 12 -7.472 13.096 14.529 1.00 35.04 H new ATOM 0 HD21 ASN A 12 -4.098 11.983 14.458 1.00 50.13 H new ATOM 0 HD22 ASN A 12 -5.435 12.540 15.469 1.00 50.13 H new ATOM 190 N GLY A 13 -7.047 14.224 10.272 1.00 70.24 N ATOM 191 CA GLY A 13 -6.616 15.171 9.260 1.00 61.25 C ATOM 192 C GLY A 13 -5.586 16.151 9.786 1.00 51.20 C ATOM 193 O GLY A 13 -5.649 17.345 9.492 1.00 60.42 O ATOM 0 H GLY A 13 -7.039 13.248 9.976 1.00 70.24 H new ATOM 0 HA2 GLY A 13 -6.197 14.628 8.413 1.00 61.25 H new ATOM 0 HA3 GLY A 13 -7.481 15.721 8.889 1.00 61.25 H new ATOM 197 N ASP A 14 -4.637 15.647 10.566 1.00 63.12 N ATOM 198 CA ASP A 14 -3.589 16.488 11.135 1.00 71.43 C ATOM 199 C ASP A 14 -2.306 16.386 10.315 1.00 52.53 C ATOM 200 O ASP A 14 -1.416 17.228 10.429 1.00 54.21 O ATOM 201 CB ASP A 14 -3.315 16.086 12.585 1.00 60.14 C ATOM 202 CG ASP A 14 -3.022 14.605 12.730 1.00 3.24 C ATOM 203 OD1 ASP A 14 -2.869 13.926 11.694 1.00 75.54 O ATOM 204 OD2 ASP A 14 -2.943 14.127 13.881 1.00 74.15 O ATOM 0 H ASP A 14 -4.571 14.661 10.819 1.00 63.12 H new ATOM 0 HA ASP A 14 -3.933 17.522 11.111 1.00 71.43 H new ATOM 0 HB2 ASP A 14 -2.469 16.660 12.964 1.00 60.14 H new ATOM 0 HB3 ASP A 14 -4.177 16.345 13.200 1.00 60.14 H new ATOM 209 N GLY A 15 -2.218 15.348 9.489 1.00 53.44 N ATOM 210 CA GLY A 15 -1.041 15.156 8.662 1.00 62.41 C ATOM 211 C GLY A 15 0.194 14.834 9.480 1.00 61.44 C ATOM 212 O GLY A 15 1.318 14.962 8.995 1.00 70.01 O ATOM 0 H GLY A 15 -2.941 14.637 9.378 1.00 53.44 H new ATOM 0 HA2 GLY A 15 -1.226 14.348 7.954 1.00 62.41 H new ATOM 0 HA3 GLY A 15 -0.861 16.058 8.076 1.00 62.41 H new ATOM 216 N ALA A 16 -0.014 14.416 10.724 1.00 31.31 N ATOM 217 CA ALA A 16 1.092 14.075 11.611 1.00 51.42 C ATOM 218 C ALA A 16 0.817 12.772 12.355 1.00 51.43 C ATOM 219 O ALA A 16 -0.310 12.514 12.780 1.00 43.43 O ATOM 220 CB ALA A 16 1.345 15.205 12.596 1.00 32.15 C ATOM 0 H ALA A 16 -0.938 14.305 11.141 1.00 31.31 H new ATOM 0 HA ALA A 16 1.984 13.933 11.002 1.00 51.42 H new ATOM 0 HB1 ALA A 16 2.173 14.937 13.252 1.00 32.15 H new ATOM 0 HB2 ALA A 16 1.594 16.115 12.050 1.00 32.15 H new ATOM 0 HB3 ALA A 16 0.449 15.374 13.193 1.00 32.15 H new ATOM 226 N VAL A 17 1.853 11.954 12.508 1.00 31.21 N ATOM 227 CA VAL A 17 1.723 10.678 13.202 1.00 22.01 C ATOM 228 C VAL A 17 2.714 10.577 14.356 1.00 73.04 C ATOM 229 O VAL A 17 3.923 10.493 14.144 1.00 0.20 O ATOM 230 CB VAL A 17 1.945 9.493 12.244 1.00 41.32 C ATOM 231 CG1 VAL A 17 2.267 8.228 13.024 1.00 54.23 C ATOM 232 CG2 VAL A 17 0.725 9.289 11.358 1.00 64.31 C ATOM 0 H VAL A 17 2.792 12.152 12.161 1.00 31.21 H new ATOM 0 HA VAL A 17 0.707 10.633 13.594 1.00 22.01 H new ATOM 0 HB VAL A 17 2.797 9.721 11.603 1.00 41.32 H new ATOM 0 HG11 VAL A 17 2.421 7.402 12.330 1.00 54.23 H new ATOM 0 HG12 VAL A 17 3.173 8.383 13.610 1.00 54.23 H new ATOM 0 HG13 VAL A 17 1.439 7.992 13.692 1.00 54.23 H new ATOM 0 HG21 VAL A 17 0.899 8.448 10.687 1.00 64.31 H new ATOM 0 HG22 VAL A 17 -0.146 9.083 11.980 1.00 64.31 H new ATOM 0 HG23 VAL A 17 0.547 10.190 10.771 1.00 64.31 H new ATOM 242 N SER A 18 2.192 10.585 15.578 1.00 21.33 N ATOM 243 CA SER A 18 3.031 10.497 16.769 1.00 65.44 C ATOM 244 C SER A 18 3.314 9.040 17.127 1.00 13.23 C ATOM 245 O SER A 18 2.804 8.122 16.487 1.00 31.10 O ATOM 246 CB SER A 18 2.358 11.203 17.947 1.00 70.44 C ATOM 247 OG SER A 18 1.008 11.515 17.650 1.00 75.31 O ATOM 0 H SER A 18 1.192 10.651 15.770 1.00 21.33 H new ATOM 0 HA SER A 18 3.979 10.991 16.553 1.00 65.44 H new ATOM 0 HB2 SER A 18 2.402 10.566 18.830 1.00 70.44 H new ATOM 0 HB3 SER A 18 2.902 12.117 18.186 1.00 70.44 H new ATOM 0 HG SER A 18 0.599 11.964 18.419 1.00 75.31 H new ATOM 253 N TYR A 19 4.130 8.840 18.156 1.00 4.31 N ATOM 254 CA TYR A 19 4.483 7.497 18.600 1.00 25.23 C ATOM 255 C TYR A 19 3.241 6.622 18.732 1.00 24.23 C ATOM 256 O TYR A 19 3.225 5.476 18.284 1.00 20.15 O ATOM 257 CB TYR A 19 5.223 7.558 19.938 1.00 63.13 C ATOM 258 CG TYR A 19 4.429 8.222 21.039 1.00 40.40 C ATOM 259 CD1 TYR A 19 4.387 9.606 21.154 1.00 45.31 C ATOM 260 CD2 TYR A 19 3.720 7.467 21.965 1.00 25.41 C ATOM 261 CE1 TYR A 19 3.664 10.218 22.158 1.00 34.02 C ATOM 262 CE2 TYR A 19 2.993 8.070 22.972 1.00 15.23 C ATOM 263 CZ TYR A 19 2.968 9.447 23.065 1.00 71.44 C ATOM 264 OH TYR A 19 2.245 10.051 24.067 1.00 21.34 O ATOM 0 H TYR A 19 4.559 9.590 18.698 1.00 4.31 H new ATOM 0 HA TYR A 19 5.138 7.054 17.850 1.00 25.23 H new ATOM 0 HB2 TYR A 19 5.481 6.545 20.248 1.00 63.13 H new ATOM 0 HB3 TYR A 19 6.160 8.098 19.801 1.00 63.13 H new ATOM 0 HD1 TYR A 19 4.930 10.214 20.445 1.00 45.31 H new ATOM 0 HD2 TYR A 19 3.738 6.389 21.896 1.00 25.41 H new ATOM 0 HE1 TYR A 19 3.644 11.295 22.233 1.00 34.02 H new ATOM 0 HE2 TYR A 19 2.447 7.468 23.683 1.00 15.23 H new ATOM 0 HH TYR A 19 1.814 9.365 24.618 1.00 21.34 H new ATOM 274 N GLU A 20 2.200 7.172 19.350 1.00 1.32 N ATOM 275 CA GLU A 20 0.953 6.442 19.541 1.00 10.11 C ATOM 276 C GLU A 20 0.330 6.067 18.200 1.00 4.41 C ATOM 277 O GLU A 20 -0.060 4.920 17.985 1.00 10.30 O ATOM 278 CB GLU A 20 -0.034 7.281 20.357 1.00 73.44 C ATOM 279 CG GLU A 20 -0.234 6.776 21.776 1.00 45.31 C ATOM 280 CD GLU A 20 -1.585 7.160 22.347 1.00 2.44 C ATOM 281 OE1 GLU A 20 -2.604 6.611 21.879 1.00 52.52 O ATOM 282 OE2 GLU A 20 -1.623 8.009 23.262 1.00 1.00 O ATOM 0 H GLU A 20 2.196 8.120 19.726 1.00 1.32 H new ATOM 0 HA GLU A 20 1.179 5.525 20.086 1.00 10.11 H new ATOM 0 HB2 GLU A 20 0.321 8.311 20.394 1.00 73.44 H new ATOM 0 HB3 GLU A 20 -0.997 7.294 19.846 1.00 73.44 H new ATOM 0 HG2 GLU A 20 -0.134 5.691 21.789 1.00 45.31 H new ATOM 0 HG3 GLU A 20 0.553 7.177 22.415 1.00 45.31 H new ATOM 289 N GLU A 21 0.242 7.043 17.301 1.00 51.42 N ATOM 290 CA GLU A 21 -0.334 6.815 15.981 1.00 11.23 C ATOM 291 C GLU A 21 0.393 5.684 15.258 1.00 15.42 C ATOM 292 O GLU A 21 -0.230 4.858 14.592 1.00 51.24 O ATOM 293 CB GLU A 21 -0.269 8.094 15.144 1.00 51.10 C ATOM 294 CG GLU A 21 -1.502 8.972 15.278 1.00 22.11 C ATOM 295 CD GLU A 21 -2.121 9.318 13.937 1.00 70.52 C ATOM 296 OE1 GLU A 21 -1.451 10.001 13.134 1.00 34.12 O ATOM 297 OE2 GLU A 21 -3.273 8.904 13.690 1.00 30.12 O ATOM 0 H GLU A 21 0.562 7.998 17.463 1.00 51.42 H new ATOM 0 HA GLU A 21 -1.377 6.528 16.113 1.00 11.23 H new ATOM 0 HB2 GLU A 21 0.609 8.668 15.440 1.00 51.10 H new ATOM 0 HB3 GLU A 21 -0.136 7.826 14.096 1.00 51.10 H new ATOM 0 HG2 GLU A 21 -2.242 8.461 15.894 1.00 22.11 H new ATOM 0 HG3 GLU A 21 -1.234 9.892 15.798 1.00 22.11 H new ATOM 304 N VAL A 22 1.715 5.656 15.395 1.00 32.50 N ATOM 305 CA VAL A 22 2.527 4.627 14.756 1.00 11.40 C ATOM 306 C VAL A 22 2.166 3.240 15.277 1.00 43.12 C ATOM 307 O VAL A 22 1.836 2.341 14.503 1.00 63.20 O ATOM 308 CB VAL A 22 4.030 4.875 14.987 1.00 12.24 C ATOM 309 CG1 VAL A 22 4.840 3.646 14.601 1.00 55.12 C ATOM 310 CG2 VAL A 22 4.494 6.096 14.207 1.00 54.34 C ATOM 0 H VAL A 22 2.246 6.333 15.942 1.00 32.50 H new ATOM 0 HA VAL A 22 2.318 4.676 13.687 1.00 11.40 H new ATOM 0 HB VAL A 22 4.190 5.067 16.048 1.00 12.24 H new ATOM 0 HG11 VAL A 22 5.899 3.840 14.771 1.00 55.12 H new ATOM 0 HG12 VAL A 22 4.525 2.797 15.208 1.00 55.12 H new ATOM 0 HG13 VAL A 22 4.677 3.419 13.547 1.00 55.12 H new ATOM 0 HG21 VAL A 22 5.558 6.257 14.382 1.00 54.34 H new ATOM 0 HG22 VAL A 22 4.321 5.935 13.143 1.00 54.34 H new ATOM 0 HG23 VAL A 22 3.936 6.972 14.537 1.00 54.34 H new ATOM 320 N LYS A 23 2.230 3.073 16.593 1.00 45.20 N ATOM 321 CA LYS A 23 1.909 1.795 17.219 1.00 15.53 C ATOM 322 C LYS A 23 0.512 1.330 16.820 1.00 41.31 C ATOM 323 O LYS A 23 0.272 0.136 16.646 1.00 64.22 O ATOM 324 CB LYS A 23 2.003 1.913 18.742 1.00 23.13 C ATOM 325 CG LYS A 23 3.212 1.207 19.333 1.00 53.12 C ATOM 326 CD LYS A 23 2.939 -0.270 19.559 1.00 73.24 C ATOM 327 CE LYS A 23 1.928 -0.486 20.676 1.00 12.41 C ATOM 328 NZ LYS A 23 2.584 -0.911 21.943 1.00 62.24 N ATOM 0 H LYS A 23 2.501 3.807 17.248 1.00 45.20 H new ATOM 0 HA LYS A 23 2.632 1.056 16.872 1.00 15.53 H new ATOM 0 HB2 LYS A 23 2.039 2.968 19.015 1.00 23.13 H new ATOM 0 HB3 LYS A 23 1.098 1.500 19.187 1.00 23.13 H new ATOM 0 HG2 LYS A 23 4.065 1.322 18.664 1.00 53.12 H new ATOM 0 HG3 LYS A 23 3.483 1.677 20.279 1.00 53.12 H new ATOM 0 HD2 LYS A 23 2.566 -0.717 18.638 1.00 73.24 H new ATOM 0 HD3 LYS A 23 3.870 -0.780 19.806 1.00 73.24 H new ATOM 0 HE2 LYS A 23 1.372 0.436 20.846 1.00 12.41 H new ATOM 0 HE3 LYS A 23 1.205 -1.242 20.370 1.00 12.41 H new ATOM 0 HZ1 LYS A 23 1.926 -1.498 22.494 1.00 62.24 H new ATOM 0 HZ2 LYS A 23 3.439 -1.461 21.724 1.00 62.24 H new ATOM 0 HZ3 LYS A 23 2.846 -0.071 22.497 1.00 62.24 H new ATOM 342 N ALA A 24 -0.405 2.281 16.675 1.00 44.30 N ATOM 343 CA ALA A 24 -1.776 1.969 16.292 1.00 4.22 C ATOM 344 C ALA A 24 -1.843 1.467 14.855 1.00 54.25 C ATOM 345 O ALA A 24 -2.560 0.512 14.552 1.00 22.41 O ATOM 346 CB ALA A 24 -2.664 3.190 16.470 1.00 53.44 C ATOM 0 H ALA A 24 -0.223 3.274 16.817 1.00 44.30 H new ATOM 0 HA ALA A 24 -2.138 1.173 16.943 1.00 4.22 H new ATOM 0 HB1 ALA A 24 -3.685 2.943 16.180 1.00 53.44 H new ATOM 0 HB2 ALA A 24 -2.649 3.502 17.514 1.00 53.44 H new ATOM 0 HB3 ALA A 24 -2.296 4.002 15.843 1.00 53.44 H new ATOM 352 N PHE A 25 -1.095 2.117 13.969 1.00 22.11 N ATOM 353 CA PHE A 25 -1.072 1.737 12.562 1.00 22.12 C ATOM 354 C PHE A 25 -0.795 0.245 12.405 1.00 23.02 C ATOM 355 O PHE A 25 -1.530 -0.466 11.720 1.00 61.44 O ATOM 356 CB PHE A 25 -0.011 2.545 11.811 1.00 35.23 C ATOM 357 CG PHE A 25 -0.173 2.505 10.318 1.00 22.25 C ATOM 358 CD1 PHE A 25 -0.015 1.316 9.624 1.00 54.53 C ATOM 359 CD2 PHE A 25 -0.482 3.655 9.610 1.00 21.15 C ATOM 360 CE1 PHE A 25 -0.162 1.277 8.250 1.00 42.12 C ATOM 361 CE2 PHE A 25 -0.630 3.621 8.236 1.00 2.35 C ATOM 362 CZ PHE A 25 -0.471 2.431 7.555 1.00 63.10 C ATOM 0 H PHE A 25 -0.497 2.910 14.201 1.00 22.11 H new ATOM 0 HA PHE A 25 -2.052 1.953 12.138 1.00 22.12 H new ATOM 0 HB2 PHE A 25 -0.051 3.582 12.145 1.00 35.23 H new ATOM 0 HB3 PHE A 25 0.976 2.164 12.072 1.00 35.23 H new ATOM 0 HD1 PHE A 25 0.225 0.411 10.162 1.00 54.53 H new ATOM 0 HD2 PHE A 25 -0.609 4.589 10.138 1.00 21.15 H new ATOM 0 HE1 PHE A 25 -0.035 0.345 7.720 1.00 42.12 H new ATOM 0 HE2 PHE A 25 -0.870 4.525 7.696 1.00 2.35 H new ATOM 0 HZ PHE A 25 -0.588 2.402 6.482 1.00 63.10 H new ATOM 372 N VAL A 26 0.272 -0.224 13.046 1.00 55.31 N ATOM 373 CA VAL A 26 0.646 -1.631 12.979 1.00 1.45 C ATOM 374 C VAL A 26 -0.351 -2.502 13.734 1.00 12.41 C ATOM 375 O VAL A 26 -0.558 -3.666 13.392 1.00 22.54 O ATOM 376 CB VAL A 26 2.055 -1.864 13.556 1.00 70.40 C ATOM 377 CG1 VAL A 26 1.975 -2.220 15.033 1.00 14.34 C ATOM 378 CG2 VAL A 26 2.777 -2.954 12.776 1.00 34.43 C ATOM 0 H VAL A 26 0.892 0.350 13.617 1.00 55.31 H new ATOM 0 HA VAL A 26 0.641 -1.910 11.925 1.00 1.45 H new ATOM 0 HB VAL A 26 2.625 -0.940 13.459 1.00 70.40 H new ATOM 0 HG11 VAL A 26 2.980 -2.381 15.423 1.00 14.34 H new ATOM 0 HG12 VAL A 26 1.500 -1.405 15.579 1.00 14.34 H new ATOM 0 HG13 VAL A 26 1.388 -3.130 15.157 1.00 14.34 H new ATOM 0 HG21 VAL A 26 3.771 -3.105 13.197 1.00 34.43 H new ATOM 0 HG22 VAL A 26 2.210 -3.883 12.840 1.00 34.43 H new ATOM 0 HG23 VAL A 26 2.867 -2.655 11.732 1.00 34.43 H new ATOM 388 N SER A 27 -0.968 -1.929 14.763 1.00 43.32 N ATOM 389 CA SER A 27 -1.943 -2.655 15.570 1.00 1.53 C ATOM 390 C SER A 27 -3.114 -3.126 14.713 1.00 1.53 C ATOM 391 O SER A 27 -3.801 -4.088 15.056 1.00 52.43 O ATOM 392 CB SER A 27 -2.453 -1.770 16.709 1.00 1.51 C ATOM 393 OG SER A 27 -2.067 -2.288 17.970 1.00 62.33 O ATOM 0 H SER A 27 -0.810 -0.965 15.057 1.00 43.32 H new ATOM 0 HA SER A 27 -1.449 -3.530 15.992 1.00 1.53 H new ATOM 0 HB2 SER A 27 -2.061 -0.760 16.592 1.00 1.51 H new ATOM 0 HB3 SER A 27 -3.539 -1.698 16.659 1.00 1.51 H new ATOM 0 HG SER A 27 -2.404 -1.703 18.681 1.00 62.33 H new ATOM 399 N LYS A 28 -3.336 -2.440 13.596 1.00 21.45 N ATOM 400 CA LYS A 28 -4.422 -2.787 12.688 1.00 0.12 C ATOM 401 C LYS A 28 -4.100 -4.063 11.918 1.00 62.41 C ATOM 402 O LYS A 28 -4.951 -4.606 11.211 1.00 2.50 O ATOM 403 CB LYS A 28 -4.682 -1.639 11.710 1.00 40.23 C ATOM 404 CG LYS A 28 -5.805 -0.714 12.142 1.00 14.53 C ATOM 405 CD LYS A 28 -5.604 -0.220 13.565 1.00 71.32 C ATOM 406 CE LYS A 28 -5.991 1.244 13.708 1.00 11.22 C ATOM 407 NZ LYS A 28 -4.943 2.028 14.420 1.00 73.12 N ATOM 0 H LYS A 28 -2.777 -1.640 13.298 1.00 21.45 H new ATOM 0 HA LYS A 28 -5.319 -2.960 13.282 1.00 0.12 H new ATOM 0 HB2 LYS A 28 -3.768 -1.057 11.595 1.00 40.23 H new ATOM 0 HB3 LYS A 28 -4.921 -2.054 10.731 1.00 40.23 H new ATOM 0 HG2 LYS A 28 -5.857 0.138 11.464 1.00 14.53 H new ATOM 0 HG3 LYS A 28 -6.758 -1.238 12.069 1.00 14.53 H new ATOM 0 HD2 LYS A 28 -6.201 -0.824 14.248 1.00 71.32 H new ATOM 0 HD3 LYS A 28 -4.561 -0.351 13.853 1.00 71.32 H new ATOM 0 HE2 LYS A 28 -6.158 1.674 12.720 1.00 11.22 H new ATOM 0 HE3 LYS A 28 -6.933 1.319 14.251 1.00 11.22 H new ATOM 0 HZ1 LYS A 28 -5.393 2.668 15.105 1.00 73.12 H new ATOM 0 HZ2 LYS A 28 -4.304 1.378 14.921 1.00 73.12 H new ATOM 0 HZ3 LYS A 28 -4.399 2.586 13.731 1.00 73.12 H new ATOM 421 N LYS A 29 -2.869 -4.540 12.059 1.00 24.14 N ATOM 422 CA LYS A 29 -2.434 -5.755 11.379 1.00 12.52 C ATOM 423 C LYS A 29 -2.319 -6.916 12.361 1.00 30.00 C ATOM 424 O LYS A 29 -2.450 -8.079 11.980 1.00 63.15 O ATOM 425 CB LYS A 29 -1.090 -5.523 10.686 1.00 1.01 C ATOM 426 CG LYS A 29 -0.989 -4.179 9.988 1.00 55.31 C ATOM 427 CD LYS A 29 -2.144 -3.962 9.025 1.00 44.31 C ATOM 428 CE LYS A 29 -2.165 -5.022 7.934 1.00 72.33 C ATOM 429 NZ LYS A 29 -3.298 -4.822 6.988 1.00 1.12 N ATOM 0 H LYS A 29 -2.153 -4.103 12.639 1.00 24.14 H new ATOM 0 HA LYS A 29 -3.183 -6.010 10.629 1.00 12.52 H new ATOM 0 HB2 LYS A 29 -0.292 -5.600 11.425 1.00 1.01 H new ATOM 0 HB3 LYS A 29 -0.926 -6.315 9.956 1.00 1.01 H new ATOM 0 HG2 LYS A 29 -0.979 -3.382 10.731 1.00 55.31 H new ATOM 0 HG3 LYS A 29 -0.046 -4.120 9.445 1.00 55.31 H new ATOM 0 HD2 LYS A 29 -3.086 -3.984 9.573 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -2.061 -2.974 8.572 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -1.224 -4.996 7.384 1.00 72.33 H new ATOM 0 HE3 LYS A 29 -2.242 -6.010 8.389 1.00 72.33 H new ATOM 0 HZ1 LYS A 29 -3.277 -5.564 6.260 1.00 1.12 H new ATOM 0 HZ2 LYS A 29 -4.197 -4.872 7.508 1.00 1.12 H new ATOM 0 HZ3 LYS A 29 -3.211 -3.890 6.535 1.00 1.12 H new ATOM 443 N ARG A 30 -2.074 -6.593 13.627 1.00 50.04 N ATOM 444 CA ARG A 30 -1.941 -7.611 14.663 1.00 35.01 C ATOM 445 C ARG A 30 -1.755 -6.968 16.035 1.00 13.11 C ATOM 446 O ARG A 30 -1.853 -5.750 16.179 1.00 31.12 O ATOM 447 CB ARG A 30 -0.761 -8.532 14.355 1.00 0.43 C ATOM 448 CG ARG A 30 0.543 -7.790 14.105 1.00 55.24 C ATOM 449 CD ARG A 30 1.246 -8.305 12.859 1.00 11.24 C ATOM 450 NE ARG A 30 1.308 -9.764 12.829 1.00 52.50 N ATOM 451 CZ ARG A 30 1.507 -10.469 11.721 1.00 14.13 C ATOM 452 NH1 ARG A 30 1.664 -9.851 10.558 1.00 34.04 N ATOM 453 NH2 ARG A 30 1.551 -11.794 11.775 1.00 75.15 N ATOM 0 H ARG A 30 -1.964 -5.635 13.960 1.00 50.04 H new ATOM 0 HA ARG A 30 -2.858 -8.201 14.678 1.00 35.01 H new ATOM 0 HB2 ARG A 30 -0.623 -9.222 15.188 1.00 0.43 H new ATOM 0 HB3 ARG A 30 -1.000 -9.134 13.478 1.00 0.43 H new ATOM 0 HG2 ARG A 30 0.342 -6.724 13.996 1.00 55.24 H new ATOM 0 HG3 ARG A 30 1.199 -7.904 14.968 1.00 55.24 H new ATOM 0 HD2 ARG A 30 0.722 -7.946 11.973 1.00 11.24 H new ATOM 0 HD3 ARG A 30 2.256 -7.898 12.819 1.00 11.24 H new ATOM 0 HE ARG A 30 1.192 -10.269 13.707 1.00 52.50 H new ATOM 0 HH11 ARG A 30 1.632 -8.832 10.513 1.00 34.04 H new ATOM 0 HH12 ARG A 30 1.817 -10.394 9.708 1.00 34.04 H new ATOM 0 HH21 ARG A 30 1.432 -12.272 12.668 1.00 75.15 H new ATOM 0 HH22 ARG A 30 1.704 -12.334 10.923 1.00 75.15 H new ATOM 467 N ALA A 31 -1.488 -7.797 17.039 1.00 4.35 N ATOM 468 CA ALA A 31 -1.286 -7.309 18.398 1.00 65.13 C ATOM 469 C ALA A 31 0.145 -7.557 18.864 1.00 41.14 C ATOM 470 O ALA A 31 0.470 -8.639 19.355 1.00 53.14 O ATOM 471 CB ALA A 31 -2.274 -7.971 19.347 1.00 61.42 C ATOM 0 H ALA A 31 -1.407 -8.809 16.937 1.00 4.35 H new ATOM 0 HA ALA A 31 -1.459 -6.233 18.401 1.00 65.13 H new ATOM 0 HB1 ALA A 31 -2.113 -7.598 20.358 1.00 61.42 H new ATOM 0 HB2 ALA A 31 -3.292 -7.739 19.033 1.00 61.42 H new ATOM 0 HB3 ALA A 31 -2.126 -9.051 19.331 1.00 61.42 H new ATOM 477 N ILE A 32 0.997 -6.550 18.704 1.00 32.05 N ATOM 478 CA ILE A 32 2.393 -6.659 19.110 1.00 62.34 C ATOM 479 C ILE A 32 2.833 -5.434 19.903 1.00 54.32 C ATOM 480 O ILE A 32 3.101 -4.376 19.334 1.00 51.51 O ATOM 481 CB ILE A 32 3.320 -6.830 17.892 1.00 12.11 C ATOM 482 CG1 ILE A 32 2.936 -8.083 17.103 1.00 41.52 C ATOM 483 CG2 ILE A 32 4.773 -6.902 18.338 1.00 32.51 C ATOM 484 CD1 ILE A 32 3.130 -9.367 17.877 1.00 64.25 C ATOM 0 H ILE A 32 0.745 -5.650 18.296 1.00 32.05 H new ATOM 0 HA ILE A 32 2.470 -7.543 19.743 1.00 62.34 H new ATOM 0 HB ILE A 32 3.203 -5.964 17.241 1.00 12.11 H new ATOM 0 HG12 ILE A 32 1.892 -8.006 16.799 1.00 41.52 H new ATOM 0 HG13 ILE A 32 3.531 -8.125 16.191 1.00 41.52 H new ATOM 0 HG21 ILE A 32 5.416 -7.023 17.466 1.00 32.51 H new ATOM 0 HG22 ILE A 32 5.039 -5.983 18.860 1.00 32.51 H new ATOM 0 HG23 ILE A 32 4.906 -7.752 19.008 1.00 32.51 H new ATOM 0 HD11 ILE A 32 2.838 -10.214 17.256 1.00 64.25 H new ATOM 0 HD12 ILE A 32 4.178 -9.468 18.158 1.00 64.25 H new ATOM 0 HD13 ILE A 32 2.514 -9.347 18.776 1.00 64.25 H new ATOM 496 N LYS A 33 2.907 -5.584 21.221 1.00 74.12 N ATOM 497 CA LYS A 33 3.318 -4.490 22.093 1.00 74.40 C ATOM 498 C LYS A 33 4.838 -4.372 22.138 1.00 21.04 C ATOM 499 O LYS A 33 5.514 -5.177 22.777 1.00 40.33 O ATOM 500 CB LYS A 33 2.771 -4.706 23.506 1.00 35.42 C ATOM 501 CG LYS A 33 3.101 -6.071 24.085 1.00 1.53 C ATOM 502 CD LYS A 33 1.850 -6.798 24.548 1.00 30.12 C ATOM 503 CE LYS A 33 2.085 -7.531 25.860 1.00 13.13 C ATOM 504 NZ LYS A 33 2.316 -6.586 26.989 1.00 74.22 N ATOM 0 H LYS A 33 2.688 -6.453 21.709 1.00 74.12 H new ATOM 0 HA LYS A 33 2.911 -3.563 21.689 1.00 74.40 H new ATOM 0 HB2 LYS A 33 3.173 -3.935 24.164 1.00 35.42 H new ATOM 0 HB3 LYS A 33 1.688 -4.579 23.491 1.00 35.42 H new ATOM 0 HG2 LYS A 33 3.615 -6.671 23.334 1.00 1.53 H new ATOM 0 HG3 LYS A 33 3.787 -5.955 24.924 1.00 1.53 H new ATOM 0 HD2 LYS A 33 1.036 -6.083 24.670 1.00 30.12 H new ATOM 0 HD3 LYS A 33 1.537 -7.509 23.784 1.00 30.12 H new ATOM 0 HE2 LYS A 33 1.224 -8.161 26.084 1.00 13.13 H new ATOM 0 HE3 LYS A 33 2.945 -8.192 25.758 1.00 13.13 H new ATOM 0 HZ1 LYS A 33 2.072 -7.051 27.887 1.00 74.22 H new ATOM 0 HZ2 LYS A 33 3.317 -6.304 27.006 1.00 74.22 H new ATOM 0 HZ3 LYS A 33 1.721 -5.742 26.863 1.00 74.22 H new ATOM 518 N ASN A 34 5.368 -3.361 21.457 1.00 5.12 N ATOM 519 CA ASN A 34 6.809 -3.138 21.420 1.00 13.45 C ATOM 520 C ASN A 34 7.153 -1.734 21.909 1.00 4.32 C ATOM 521 O ASN A 34 7.010 -0.758 21.175 1.00 51.22 O ATOM 522 CB ASN A 34 7.341 -3.339 20.000 1.00 40.22 C ATOM 523 CG ASN A 34 7.180 -4.768 19.520 1.00 71.54 C ATOM 524 OD1 ASN A 34 7.072 -5.696 20.322 1.00 75.44 O ATOM 525 ND2 ASN A 34 7.163 -4.952 18.205 1.00 74.44 N ATOM 0 H ASN A 34 4.822 -2.684 20.924 1.00 5.12 H new ATOM 0 HA ASN A 34 7.281 -3.862 22.084 1.00 13.45 H new ATOM 0 HB2 ASN A 34 6.816 -2.669 19.320 1.00 40.22 H new ATOM 0 HB3 ASN A 34 8.395 -3.064 19.967 1.00 40.22 H new ATOM 0 HD21 ASN A 34 7.057 -5.892 17.823 1.00 74.44 H new ATOM 0 HD22 ASN A 34 7.256 -4.154 17.577 1.00 74.44 H new ATOM 532 N GLU A 35 7.609 -1.643 23.155 1.00 2.30 N ATOM 533 CA GLU A 35 7.974 -0.359 23.742 1.00 42.53 C ATOM 534 C GLU A 35 9.302 0.138 23.179 1.00 5.34 C ATOM 535 O GLU A 35 9.452 1.320 22.868 1.00 24.41 O ATOM 536 CB GLU A 35 8.065 -0.476 25.265 1.00 62.12 C ATOM 537 CG GLU A 35 7.390 0.666 26.005 1.00 52.31 C ATOM 538 CD GLU A 35 7.682 2.018 25.382 1.00 21.42 C ATOM 539 OE1 GLU A 35 8.874 2.339 25.197 1.00 5.43 O ATOM 540 OE2 GLU A 35 6.720 2.753 25.081 1.00 10.50 O ATOM 0 H GLU A 35 7.734 -2.442 23.776 1.00 2.30 H new ATOM 0 HA GLU A 35 7.198 0.362 23.486 1.00 42.53 H new ATOM 0 HB2 GLU A 35 7.612 -1.417 25.576 1.00 62.12 H new ATOM 0 HB3 GLU A 35 9.115 -0.516 25.556 1.00 62.12 H new ATOM 0 HG2 GLU A 35 6.313 0.500 26.016 1.00 52.31 H new ATOM 0 HG3 GLU A 35 7.723 0.669 27.043 1.00 52.31 H new ATOM 547 N GLN A 36 10.262 -0.771 23.053 1.00 24.24 N ATOM 548 CA GLN A 36 11.579 -0.425 22.529 1.00 10.04 C ATOM 549 C GLN A 36 11.515 -0.161 21.029 1.00 2.22 C ATOM 550 O GLN A 36 12.021 0.853 20.545 1.00 51.41 O ATOM 551 CB GLN A 36 12.578 -1.546 22.820 1.00 21.24 C ATOM 552 CG GLN A 36 13.973 -1.045 23.160 1.00 63.12 C ATOM 553 CD GLN A 36 15.049 -1.704 22.319 1.00 1.42 C ATOM 554 OE1 GLN A 36 16.027 -2.236 22.847 1.00 31.11 O ATOM 555 NE2 GLN A 36 14.876 -1.671 21.003 1.00 71.52 N ATOM 0 H GLN A 36 10.154 -1.753 23.306 1.00 24.24 H new ATOM 0 HA GLN A 36 11.912 0.486 23.026 1.00 10.04 H new ATOM 0 HB2 GLN A 36 12.205 -2.148 23.649 1.00 21.24 H new ATOM 0 HB3 GLN A 36 12.638 -2.202 21.952 1.00 21.24 H new ATOM 0 HG2 GLN A 36 14.013 0.034 23.014 1.00 63.12 H new ATOM 0 HG3 GLN A 36 14.175 -1.232 24.215 1.00 63.12 H new ATOM 0 HE21 GLN A 36 14.051 -1.220 20.608 1.00 71.52 H new ATOM 0 HE22 GLN A 36 15.568 -2.097 20.387 1.00 71.52 H new ATOM 564 N LEU A 37 10.893 -1.079 20.298 1.00 11.01 N ATOM 565 CA LEU A 37 10.764 -0.945 18.851 1.00 3.14 C ATOM 566 C LEU A 37 9.990 0.318 18.488 1.00 43.02 C ATOM 567 O LEU A 37 10.323 1.007 17.522 1.00 52.01 O ATOM 568 CB LEU A 37 10.063 -2.173 18.266 1.00 4.23 C ATOM 569 CG LEU A 37 10.340 -2.465 16.791 1.00 25.44 C ATOM 570 CD1 LEU A 37 11.682 -3.163 16.628 1.00 34.12 C ATOM 571 CD2 LEU A 37 9.222 -3.308 16.196 1.00 3.11 C ATOM 0 H LEU A 37 10.470 -1.924 20.683 1.00 11.01 H new ATOM 0 HA LEU A 37 11.765 -0.869 18.427 1.00 3.14 H new ATOM 0 HB2 LEU A 37 10.356 -3.046 18.850 1.00 4.23 H new ATOM 0 HB3 LEU A 37 8.988 -2.049 18.395 1.00 4.23 H new ATOM 0 HG LEU A 37 10.379 -1.518 16.253 1.00 25.44 H new ATOM 0 HD11 LEU A 37 11.862 -3.363 15.572 1.00 34.12 H new ATOM 0 HD12 LEU A 37 12.474 -2.523 17.017 1.00 34.12 H new ATOM 0 HD13 LEU A 37 11.672 -4.104 17.179 1.00 34.12 H new ATOM 0 HD21 LEU A 37 9.435 -3.506 15.146 1.00 3.11 H new ATOM 0 HD22 LEU A 37 9.151 -4.252 16.736 1.00 3.11 H new ATOM 0 HD23 LEU A 37 8.277 -2.770 16.279 1.00 3.11 H new ATOM 583 N LEU A 38 8.957 0.617 19.267 1.00 11.34 N ATOM 584 CA LEU A 38 8.136 1.799 19.029 1.00 10.15 C ATOM 585 C LEU A 38 8.961 3.073 19.177 1.00 11.34 C ATOM 586 O LEU A 38 8.895 3.968 18.335 1.00 51.15 O ATOM 587 CB LEU A 38 6.955 1.827 20.000 1.00 15.30 C ATOM 588 CG LEU A 38 6.056 3.063 19.929 1.00 11.25 C ATOM 589 CD1 LEU A 38 6.632 4.190 20.772 1.00 32.21 C ATOM 590 CD2 LEU A 38 5.879 3.511 18.486 1.00 51.01 C ATOM 0 H LEU A 38 8.668 0.057 20.069 1.00 11.34 H new ATOM 0 HA LEU A 38 7.758 1.749 18.008 1.00 10.15 H new ATOM 0 HB2 LEU A 38 6.341 0.945 19.819 1.00 15.30 H new ATOM 0 HB3 LEU A 38 7.343 1.743 21.015 1.00 15.30 H new ATOM 0 HG LEU A 38 5.077 2.801 20.330 1.00 11.25 H new ATOM 0 HD11 LEU A 38 5.980 5.061 20.710 1.00 32.21 H new ATOM 0 HD12 LEU A 38 6.707 3.866 21.810 1.00 32.21 H new ATOM 0 HD13 LEU A 38 7.623 4.452 20.401 1.00 32.21 H new ATOM 0 HD21 LEU A 38 5.237 4.391 18.454 1.00 51.01 H new ATOM 0 HD22 LEU A 38 6.852 3.756 18.059 1.00 51.01 H new ATOM 0 HD23 LEU A 38 5.422 2.707 17.909 1.00 51.01 H new ATOM 602 N GLN A 39 9.739 3.148 20.253 1.00 75.43 N ATOM 603 CA GLN A 39 10.577 4.313 20.509 1.00 53.10 C ATOM 604 C GLN A 39 11.626 4.480 19.415 1.00 35.42 C ATOM 605 O GLN A 39 11.762 5.555 18.829 1.00 32.30 O ATOM 606 CB GLN A 39 11.260 4.185 21.872 1.00 13.13 C ATOM 607 CG GLN A 39 11.223 5.464 22.693 1.00 64.22 C ATOM 608 CD GLN A 39 12.018 6.588 22.058 1.00 2.03 C ATOM 609 OE1 GLN A 39 13.250 6.575 22.069 1.00 53.42 O ATOM 610 NE2 GLN A 39 11.317 7.568 21.502 1.00 43.54 N ATOM 0 H GLN A 39 9.806 2.416 20.960 1.00 75.43 H new ATOM 0 HA GLN A 39 9.938 5.196 20.511 1.00 53.10 H new ATOM 0 HB2 GLN A 39 10.779 3.386 22.437 1.00 13.13 H new ATOM 0 HB3 GLN A 39 12.298 3.889 21.723 1.00 13.13 H new ATOM 0 HG2 GLN A 39 10.188 5.782 22.817 1.00 64.22 H new ATOM 0 HG3 GLN A 39 11.617 5.263 23.689 1.00 64.22 H new ATOM 0 HE21 GLN A 39 10.298 7.537 21.516 1.00 43.54 H new ATOM 0 HE22 GLN A 39 11.798 8.352 21.060 1.00 43.54 H new ATOM 619 N LEU A 40 12.367 3.410 19.144 1.00 13.13 N ATOM 620 CA LEU A 40 13.405 3.438 18.120 1.00 2.42 C ATOM 621 C LEU A 40 12.809 3.738 16.749 1.00 53.22 C ATOM 622 O LEU A 40 13.262 4.644 16.048 1.00 42.02 O ATOM 623 CB LEU A 40 14.149 2.103 18.084 1.00 24.13 C ATOM 624 CG LEU A 40 15.663 2.183 17.876 1.00 35.14 C ATOM 625 CD1 LEU A 40 16.260 0.790 17.754 1.00 54.24 C ATOM 626 CD2 LEU A 40 15.988 3.017 16.645 1.00 31.43 C ATOM 0 H LEU A 40 12.268 2.513 19.619 1.00 13.13 H new ATOM 0 HA LEU A 40 14.108 4.232 18.372 1.00 2.42 H new ATOM 0 HB2 LEU A 40 13.958 1.578 19.020 1.00 24.13 H new ATOM 0 HB3 LEU A 40 13.724 1.495 17.285 1.00 24.13 H new ATOM 0 HG LEU A 40 16.105 2.669 18.746 1.00 35.14 H new ATOM 0 HD11 LEU A 40 17.337 0.867 17.607 1.00 54.24 H new ATOM 0 HD12 LEU A 40 16.058 0.227 18.665 1.00 54.24 H new ATOM 0 HD13 LEU A 40 15.813 0.276 16.903 1.00 54.24 H new ATOM 0 HD21 LEU A 40 17.069 3.063 16.512 1.00 31.43 H new ATOM 0 HD22 LEU A 40 15.533 2.560 15.766 1.00 31.43 H new ATOM 0 HD23 LEU A 40 15.595 4.025 16.774 1.00 31.43 H new ATOM 638 N ILE A 41 11.790 2.974 16.372 1.00 33.43 N ATOM 639 CA ILE A 41 11.129 3.160 15.086 1.00 2.01 C ATOM 640 C ILE A 41 10.516 4.551 14.980 1.00 35.10 C ATOM 641 O ILE A 41 10.465 5.138 13.898 1.00 4.14 O ATOM 642 CB ILE A 41 10.027 2.107 14.861 1.00 0.24 C ATOM 643 CG1 ILE A 41 10.647 0.721 14.672 1.00 24.45 C ATOM 644 CG2 ILE A 41 9.176 2.480 13.657 1.00 34.14 C ATOM 645 CD1 ILE A 41 11.486 0.600 13.420 1.00 64.03 C ATOM 0 H ILE A 41 11.404 2.219 16.939 1.00 33.43 H new ATOM 0 HA ILE A 41 11.894 3.043 14.318 1.00 2.01 H new ATOM 0 HB ILE A 41 9.385 2.081 15.741 1.00 0.24 H new ATOM 0 HG12 ILE A 41 11.266 0.488 15.538 1.00 24.45 H new ATOM 0 HG13 ILE A 41 9.851 -0.023 14.639 1.00 24.45 H new ATOM 0 HG21 ILE A 41 8.402 1.727 13.511 1.00 34.14 H new ATOM 0 HG22 ILE A 41 8.710 3.451 13.827 1.00 34.14 H new ATOM 0 HG23 ILE A 41 9.805 2.531 12.768 1.00 34.14 H new ATOM 0 HD11 ILE A 41 11.894 -0.409 13.351 1.00 64.03 H new ATOM 0 HD12 ILE A 41 10.867 0.801 12.546 1.00 64.03 H new ATOM 0 HD13 ILE A 41 12.304 1.320 13.459 1.00 64.03 H new ATOM 657 N PHE A 42 10.051 5.075 16.109 1.00 44.42 N ATOM 658 CA PHE A 42 9.441 6.400 16.144 1.00 50.41 C ATOM 659 C PHE A 42 10.432 7.467 15.685 1.00 61.12 C ATOM 660 O PHE A 42 10.121 8.289 14.823 1.00 61.32 O ATOM 661 CB PHE A 42 8.947 6.720 17.556 1.00 51.54 C ATOM 662 CG PHE A 42 8.591 8.166 17.751 1.00 34.05 C ATOM 663 CD1 PHE A 42 7.510 8.724 17.087 1.00 20.44 C ATOM 664 CD2 PHE A 42 9.336 8.968 18.601 1.00 14.23 C ATOM 665 CE1 PHE A 42 7.180 10.054 17.265 1.00 0.22 C ATOM 666 CE2 PHE A 42 9.011 10.299 18.784 1.00 53.05 C ATOM 667 CZ PHE A 42 7.931 10.843 18.116 1.00 63.13 C ATOM 0 H PHE A 42 10.085 4.603 17.012 1.00 44.42 H new ATOM 0 HA PHE A 42 8.592 6.400 15.461 1.00 50.41 H new ATOM 0 HB2 PHE A 42 8.073 6.106 17.775 1.00 51.54 H new ATOM 0 HB3 PHE A 42 9.719 6.444 18.274 1.00 51.54 H new ATOM 0 HD1 PHE A 42 6.918 8.112 16.422 1.00 20.44 H new ATOM 0 HD2 PHE A 42 10.181 8.548 19.127 1.00 14.23 H new ATOM 0 HE1 PHE A 42 6.336 10.477 16.740 1.00 0.22 H new ATOM 0 HE2 PHE A 42 9.601 10.913 19.449 1.00 53.05 H new ATOM 0 HZ PHE A 42 7.674 11.882 18.258 1.00 63.13 H new ATOM 677 N LYS A 43 11.626 7.447 16.268 1.00 73.14 N ATOM 678 CA LYS A 43 12.663 8.410 15.920 1.00 22.00 C ATOM 679 C LYS A 43 13.233 8.120 14.535 1.00 21.14 C ATOM 680 O LYS A 43 13.679 9.029 13.834 1.00 71.21 O ATOM 681 CB LYS A 43 13.784 8.380 16.961 1.00 3.23 C ATOM 682 CG LYS A 43 14.328 9.756 17.308 1.00 30.12 C ATOM 683 CD LYS A 43 15.231 9.706 18.530 1.00 43.42 C ATOM 684 CE LYS A 43 16.527 8.967 18.234 1.00 3.54 C ATOM 685 NZ LYS A 43 17.364 9.692 17.238 1.00 53.33 N ATOM 0 H LYS A 43 11.899 6.774 16.984 1.00 73.14 H new ATOM 0 HA LYS A 43 12.213 9.403 15.907 1.00 22.00 H new ATOM 0 HB2 LYS A 43 13.413 7.906 17.869 1.00 3.23 H new ATOM 0 HB3 LYS A 43 14.599 7.760 16.588 1.00 3.23 H new ATOM 0 HG2 LYS A 43 14.884 10.153 16.459 1.00 30.12 H new ATOM 0 HG3 LYS A 43 13.500 10.440 17.494 1.00 30.12 H new ATOM 0 HD2 LYS A 43 15.456 10.720 18.859 1.00 43.42 H new ATOM 0 HD3 LYS A 43 14.709 9.213 19.350 1.00 43.42 H new ATOM 0 HE2 LYS A 43 17.091 8.839 19.158 1.00 3.54 H new ATOM 0 HE3 LYS A 43 16.299 7.969 17.859 1.00 3.54 H new ATOM 0 HZ1 LYS A 43 18.334 9.318 17.261 1.00 53.33 H new ATOM 0 HZ2 LYS A 43 16.965 9.560 16.287 1.00 53.33 H new ATOM 0 HZ3 LYS A 43 17.379 10.706 17.469 1.00 53.33 H new ATOM 699 N SER A 44 13.214 6.850 14.146 1.00 60.42 N ATOM 700 CA SER A 44 13.731 6.440 12.846 1.00 75.25 C ATOM 701 C SER A 44 12.820 6.925 11.722 1.00 3.43 C ATOM 702 O SER A 44 13.279 7.545 10.761 1.00 12.13 O ATOM 703 CB SER A 44 13.868 4.917 12.785 1.00 43.43 C ATOM 704 OG SER A 44 15.228 4.525 12.861 1.00 32.43 O ATOM 0 H SER A 44 12.846 6.086 14.713 1.00 60.42 H new ATOM 0 HA SER A 44 14.714 6.892 12.715 1.00 75.25 H new ATOM 0 HB2 SER A 44 13.309 4.465 13.605 1.00 43.43 H new ATOM 0 HB3 SER A 44 13.430 4.546 11.858 1.00 43.43 H new ATOM 0 HG SER A 44 15.289 3.548 12.822 1.00 32.43 H new ATOM 710 N ILE A 45 11.529 6.639 11.850 1.00 22.10 N ATOM 711 CA ILE A 45 10.553 7.047 10.846 1.00 4.05 C ATOM 712 C ILE A 45 10.413 8.565 10.801 1.00 5.12 C ATOM 713 O ILE A 45 10.258 9.153 9.731 1.00 71.41 O ATOM 714 CB ILE A 45 9.172 6.422 11.117 1.00 43.33 C ATOM 715 CG1 ILE A 45 9.254 4.897 11.036 1.00 22.14 C ATOM 716 CG2 ILE A 45 8.147 6.957 10.129 1.00 40.22 C ATOM 717 CD1 ILE A 45 7.938 4.205 11.316 1.00 10.15 C ATOM 0 H ILE A 45 11.134 6.127 12.639 1.00 22.10 H new ATOM 0 HA ILE A 45 10.921 6.690 9.884 1.00 4.05 H new ATOM 0 HB ILE A 45 8.855 6.696 12.123 1.00 43.33 H new ATOM 0 HG12 ILE A 45 9.601 4.612 10.043 1.00 22.14 H new ATOM 0 HG13 ILE A 45 10.000 4.543 11.748 1.00 22.14 H new ATOM 0 HG21 ILE A 45 7.176 6.506 10.333 1.00 40.22 H new ATOM 0 HG22 ILE A 45 8.073 8.040 10.232 1.00 40.22 H new ATOM 0 HG23 ILE A 45 8.456 6.709 9.114 1.00 40.22 H new ATOM 0 HD11 ILE A 45 8.071 3.126 11.241 1.00 10.15 H new ATOM 0 HD12 ILE A 45 7.599 4.460 12.320 1.00 10.15 H new ATOM 0 HD13 ILE A 45 7.194 4.530 10.589 1.00 10.15 H new ATOM 729 N ASP A 46 10.470 9.193 11.970 1.00 13.32 N ATOM 730 CA ASP A 46 10.352 10.643 12.065 1.00 13.34 C ATOM 731 C ASP A 46 11.659 11.322 11.669 1.00 4.31 C ATOM 732 O ASP A 46 12.705 11.075 12.269 1.00 24.51 O ATOM 733 CB ASP A 46 9.960 11.053 13.485 1.00 75.41 C ATOM 734 CG ASP A 46 9.155 12.338 13.517 1.00 25.32 C ATOM 735 OD1 ASP A 46 9.266 13.129 12.558 1.00 73.24 O ATOM 736 OD2 ASP A 46 8.416 12.551 14.501 1.00 45.24 O ATOM 0 H ASP A 46 10.597 8.721 12.865 1.00 13.32 H new ATOM 0 HA ASP A 46 9.572 10.965 11.374 1.00 13.34 H new ATOM 0 HB2 ASP A 46 9.379 10.253 13.944 1.00 75.41 H new ATOM 0 HB3 ASP A 46 10.861 11.177 14.086 1.00 75.41 H new ATOM 741 N ALA A 47 11.592 12.179 10.655 1.00 23.23 N ATOM 742 CA ALA A 47 12.771 12.894 10.179 1.00 74.41 C ATOM 743 C ALA A 47 13.323 13.818 11.259 1.00 3.01 C ATOM 744 O ALA A 47 14.536 13.905 11.453 1.00 54.22 O ATOM 745 CB ALA A 47 12.436 13.685 8.924 1.00 72.03 C ATOM 0 H ALA A 47 10.734 12.395 10.147 1.00 23.23 H new ATOM 0 HA ALA A 47 13.540 12.160 9.937 1.00 74.41 H new ATOM 0 HB1 ALA A 47 13.325 14.214 8.579 1.00 72.03 H new ATOM 0 HB2 ALA A 47 12.094 13.004 8.145 1.00 72.03 H new ATOM 0 HB3 ALA A 47 11.649 14.405 9.147 1.00 72.03 H new ATOM 751 N ASP A 48 12.428 14.508 11.956 1.00 31.13 N ATOM 752 CA ASP A 48 12.827 15.427 13.017 1.00 61.15 C ATOM 753 C ASP A 48 12.469 14.861 14.388 1.00 11.32 C ATOM 754 O ASP A 48 12.976 15.321 15.410 1.00 22.35 O ATOM 755 CB ASP A 48 12.156 16.787 12.821 1.00 3.53 C ATOM 756 CG ASP A 48 10.645 16.684 12.762 1.00 50.41 C ATOM 757 OD1 ASP A 48 10.122 15.556 12.877 1.00 72.23 O ATOM 758 OD2 ASP A 48 9.985 17.733 12.602 1.00 23.43 O ATOM 0 H ASP A 48 11.421 14.449 11.806 1.00 31.13 H new ATOM 0 HA ASP A 48 13.908 15.554 12.968 1.00 61.15 H new ATOM 0 HB2 ASP A 48 12.440 17.450 13.638 1.00 3.53 H new ATOM 0 HB3 ASP A 48 12.523 17.240 11.900 1.00 3.53 H new ATOM 763 N GLY A 49 11.592 13.863 14.401 1.00 72.13 N ATOM 764 CA GLY A 49 11.180 13.253 15.652 1.00 43.30 C ATOM 765 C GLY A 49 10.557 14.252 16.607 1.00 3.23 C ATOM 766 O GLY A 49 10.698 14.129 17.823 1.00 41.23 O ATOM 0 H GLY A 49 11.159 13.465 13.567 1.00 72.13 H new ATOM 0 HA2 GLY A 49 10.464 12.457 15.446 1.00 43.30 H new ATOM 0 HA3 GLY A 49 12.044 12.790 16.129 1.00 43.30 H new ATOM 770 N ASN A 50 9.869 15.246 16.055 1.00 51.24 N ATOM 771 CA ASN A 50 9.224 16.272 16.866 1.00 30.41 C ATOM 772 C ASN A 50 7.838 15.818 17.317 1.00 23.44 C ATOM 773 O ASN A 50 6.826 16.211 16.740 1.00 42.21 O ATOM 774 CB ASN A 50 9.112 17.579 16.079 1.00 43.33 C ATOM 775 CG ASN A 50 8.316 17.417 14.799 1.00 55.34 C ATOM 776 OD1 ASN A 50 8.113 16.303 14.318 1.00 63.22 O ATOM 777 ND2 ASN A 50 7.860 18.532 14.241 1.00 0.34 N ATOM 0 H ASN A 50 9.744 15.363 15.049 1.00 51.24 H new ATOM 0 HA ASN A 50 9.839 16.439 17.750 1.00 30.41 H new ATOM 0 HB2 ASN A 50 8.639 18.337 16.704 1.00 43.33 H new ATOM 0 HB3 ASN A 50 10.111 17.942 15.839 1.00 43.33 H new ATOM 0 HD21 ASN A 50 7.317 18.486 13.379 1.00 0.34 H new ATOM 0 HD22 ASN A 50 8.052 19.435 14.675 1.00 0.34 H new ATOM 784 N GLY A 51 7.804 14.987 18.355 1.00 74.23 N ATOM 785 CA GLY A 51 6.538 14.494 18.868 1.00 61.25 C ATOM 786 C GLY A 51 5.855 13.543 17.905 1.00 20.33 C ATOM 787 O GLY A 51 5.364 12.489 18.309 1.00 44.31 O ATOM 0 H GLY A 51 8.629 14.647 18.849 1.00 74.23 H new ATOM 0 HA2 GLY A 51 6.707 13.986 19.817 1.00 61.25 H new ATOM 0 HA3 GLY A 51 5.878 15.337 19.071 1.00 61.25 H new ATOM 791 N GLU A 52 5.821 13.916 16.630 1.00 4.11 N ATOM 792 CA GLU A 52 5.190 13.089 15.608 1.00 31.02 C ATOM 793 C GLU A 52 5.824 13.332 14.242 1.00 25.14 C ATOM 794 O GLU A 52 6.550 14.308 14.049 1.00 54.33 O ATOM 795 CB GLU A 52 3.689 13.376 15.544 1.00 52.11 C ATOM 796 CG GLU A 52 3.350 14.857 15.586 1.00 52.50 C ATOM 797 CD GLU A 52 4.172 15.671 14.605 1.00 72.31 C ATOM 798 OE1 GLU A 52 4.097 15.390 13.391 1.00 24.23 O ATOM 799 OE2 GLU A 52 4.890 16.589 15.054 1.00 40.31 O ATOM 0 H GLU A 52 6.223 14.786 16.280 1.00 4.11 H new ATOM 0 HA GLU A 52 5.342 12.044 15.878 1.00 31.02 H new ATOM 0 HB2 GLU A 52 3.284 12.945 14.628 1.00 52.11 H new ATOM 0 HB3 GLU A 52 3.196 12.875 16.377 1.00 52.11 H new ATOM 0 HG2 GLU A 52 2.291 14.990 15.365 1.00 52.50 H new ATOM 0 HG3 GLU A 52 3.515 15.235 16.595 1.00 52.50 H new ATOM 806 N ILE A 53 5.547 12.438 13.299 1.00 30.54 N ATOM 807 CA ILE A 53 6.089 12.555 11.952 1.00 11.41 C ATOM 808 C ILE A 53 5.100 13.245 11.019 1.00 41.24 C ATOM 809 O ILE A 53 3.956 12.811 10.881 1.00 4.21 O ATOM 810 CB ILE A 53 6.453 11.177 11.369 1.00 74.14 C ATOM 811 CG1 ILE A 53 7.054 10.282 12.455 1.00 63.11 C ATOM 812 CG2 ILE A 53 7.420 11.331 10.206 1.00 44.11 C ATOM 813 CD1 ILE A 53 6.138 9.159 12.889 1.00 61.14 C ATOM 0 H ILE A 53 4.950 11.624 13.444 1.00 30.54 H new ATOM 0 HA ILE A 53 6.994 13.158 12.028 1.00 11.41 H new ATOM 0 HB ILE A 53 5.543 10.705 10.998 1.00 74.14 H new ATOM 0 HG12 ILE A 53 7.988 9.857 12.088 1.00 63.11 H new ATOM 0 HG13 ILE A 53 7.302 10.894 13.323 1.00 63.11 H new ATOM 0 HG21 ILE A 53 7.667 10.348 9.806 1.00 44.11 H new ATOM 0 HG22 ILE A 53 6.957 11.935 9.425 1.00 44.11 H new ATOM 0 HG23 ILE A 53 8.330 11.821 10.552 1.00 44.11 H new ATOM 0 HD11 ILE A 53 6.629 8.566 13.660 1.00 61.14 H new ATOM 0 HD12 ILE A 53 5.213 9.577 13.287 1.00 61.14 H new ATOM 0 HD13 ILE A 53 5.910 8.524 12.033 1.00 61.14 H new ATOM 825 N ASP A 54 5.549 14.319 10.379 1.00 15.01 N ATOM 826 CA ASP A 54 4.704 15.068 9.457 1.00 40.23 C ATOM 827 C ASP A 54 4.562 14.330 8.128 1.00 24.32 C ATOM 828 O ASP A 54 5.387 13.481 7.790 1.00 51.22 O ATOM 829 CB ASP A 54 5.283 16.463 9.219 1.00 13.04 C ATOM 830 CG ASP A 54 5.832 17.086 10.488 1.00 60.25 C ATOM 831 OD1 ASP A 54 5.312 16.767 11.577 1.00 24.12 O ATOM 832 OD2 ASP A 54 6.781 17.893 10.391 1.00 62.14 O ATOM 0 H ASP A 54 6.493 14.690 10.482 1.00 15.01 H new ATOM 0 HA ASP A 54 3.716 15.165 9.907 1.00 40.23 H new ATOM 0 HB2 ASP A 54 6.077 16.402 8.475 1.00 13.04 H new ATOM 0 HB3 ASP A 54 4.508 17.109 8.806 1.00 13.04 H new ATOM 837 N GLN A 55 3.513 14.659 7.383 1.00 74.10 N ATOM 838 CA GLN A 55 3.264 14.026 6.094 1.00 74.54 C ATOM 839 C GLN A 55 4.486 14.132 5.190 1.00 51.34 C ATOM 840 O GLN A 55 4.889 13.157 4.556 1.00 60.23 O ATOM 841 CB GLN A 55 2.053 14.667 5.413 1.00 64.23 C ATOM 842 CG GLN A 55 2.150 16.179 5.298 1.00 50.33 C ATOM 843 CD GLN A 55 0.857 16.813 4.823 1.00 24.22 C ATOM 844 OE1 GLN A 55 -0.211 16.565 5.383 1.00 32.11 O ATOM 845 NE2 GLN A 55 0.947 17.637 3.786 1.00 23.40 N ATOM 0 H GLN A 55 2.822 15.360 7.650 1.00 74.10 H new ATOM 0 HA GLN A 55 3.057 12.971 6.270 1.00 74.54 H new ATOM 0 HB2 GLN A 55 1.940 14.242 4.416 1.00 64.23 H new ATOM 0 HB3 GLN A 55 1.154 14.410 5.973 1.00 64.23 H new ATOM 0 HG2 GLN A 55 2.420 16.597 6.268 1.00 50.33 H new ATOM 0 HG3 GLN A 55 2.952 16.436 4.606 1.00 50.33 H new ATOM 0 HE21 GLN A 55 1.853 17.814 3.352 1.00 23.40 H new ATOM 0 HE22 GLN A 55 0.110 18.093 3.423 1.00 23.40 H new ATOM 854 N ASN A 56 5.073 15.323 5.134 1.00 50.14 N ATOM 855 CA ASN A 56 6.250 15.557 4.305 1.00 2.33 C ATOM 856 C ASN A 56 7.390 14.626 4.706 1.00 42.33 C ATOM 857 O ASN A 56 8.001 13.978 3.856 1.00 63.11 O ATOM 858 CB ASN A 56 6.702 17.014 4.424 1.00 31.13 C ATOM 859 CG ASN A 56 7.130 17.597 3.091 1.00 13.45 C ATOM 860 OD1 ASN A 56 8.149 17.201 2.526 1.00 4.13 O ATOM 861 ND2 ASN A 56 6.351 18.545 2.582 1.00 0.02 N ATOM 0 H ASN A 56 4.753 16.141 5.653 1.00 50.14 H new ATOM 0 HA ASN A 56 5.981 15.350 3.269 1.00 2.33 H new ATOM 0 HB2 ASN A 56 5.888 17.612 4.834 1.00 31.13 H new ATOM 0 HB3 ASN A 56 7.531 17.078 5.129 1.00 31.13 H new ATOM 0 HD21 ASN A 56 6.589 18.975 1.688 1.00 0.02 H new ATOM 0 HD22 ASN A 56 5.515 18.843 3.085 1.00 0.02 H new ATOM 868 N GLU A 57 7.670 14.565 6.003 1.00 5.04 N ATOM 869 CA GLU A 57 8.738 13.712 6.515 1.00 14.54 C ATOM 870 C GLU A 57 8.497 12.254 6.139 1.00 51.45 C ATOM 871 O GLU A 57 9.426 11.534 5.774 1.00 21.44 O ATOM 872 CB GLU A 57 8.844 13.848 8.036 1.00 54.03 C ATOM 873 CG GLU A 57 9.009 15.282 8.509 1.00 30.41 C ATOM 874 CD GLU A 57 8.733 15.441 9.992 1.00 3.34 C ATOM 875 OE1 GLU A 57 8.264 14.469 10.617 1.00 61.13 O ATOM 876 OE2 GLU A 57 8.988 16.541 10.527 1.00 62.02 O ATOM 0 H GLU A 57 7.173 15.095 6.719 1.00 5.04 H new ATOM 0 HA GLU A 57 9.675 14.035 6.062 1.00 14.54 H new ATOM 0 HB2 GLU A 57 7.950 13.424 8.493 1.00 54.03 H new ATOM 0 HB3 GLU A 57 9.691 13.259 8.387 1.00 54.03 H new ATOM 0 HG2 GLU A 57 10.023 15.618 8.294 1.00 30.41 H new ATOM 0 HG3 GLU A 57 8.334 15.927 7.946 1.00 30.41 H new ATOM 883 N PHE A 58 7.242 11.825 6.228 1.00 1.24 N ATOM 884 CA PHE A 58 6.878 10.452 5.899 1.00 13.02 C ATOM 885 C PHE A 58 7.113 10.167 4.418 1.00 15.21 C ATOM 886 O PHE A 58 7.615 9.106 4.051 1.00 50.00 O ATOM 887 CB PHE A 58 5.413 10.191 6.253 1.00 30.12 C ATOM 888 CG PHE A 58 5.080 8.734 6.396 1.00 22.43 C ATOM 889 CD1 PHE A 58 4.840 7.951 5.279 1.00 22.24 C ATOM 890 CD2 PHE A 58 5.008 8.146 7.650 1.00 62.33 C ATOM 891 CE1 PHE A 58 4.535 6.609 5.408 1.00 54.42 C ATOM 892 CE2 PHE A 58 4.704 6.805 7.784 1.00 60.21 C ATOM 893 CZ PHE A 58 4.466 6.036 6.662 1.00 63.13 C ATOM 0 H PHE A 58 6.460 12.409 6.525 1.00 1.24 H new ATOM 0 HA PHE A 58 7.511 9.785 6.485 1.00 13.02 H new ATOM 0 HB2 PHE A 58 5.177 10.702 7.186 1.00 30.12 H new ATOM 0 HB3 PHE A 58 4.778 10.626 5.481 1.00 30.12 H new ATOM 0 HD1 PHE A 58 4.892 8.394 4.296 1.00 22.24 H new ATOM 0 HD2 PHE A 58 5.192 8.743 8.531 1.00 62.33 H new ATOM 0 HE1 PHE A 58 4.351 6.009 4.529 1.00 54.42 H new ATOM 0 HE2 PHE A 58 4.653 6.358 8.766 1.00 60.21 H new ATOM 0 HZ PHE A 58 4.226 4.988 6.765 1.00 63.13 H new ATOM 903 N ALA A 59 6.745 11.124 3.573 1.00 41.45 N ATOM 904 CA ALA A 59 6.917 10.978 2.132 1.00 31.10 C ATOM 905 C ALA A 59 8.389 10.822 1.768 1.00 1.00 C ATOM 906 O ALA A 59 8.770 9.885 1.065 1.00 55.30 O ATOM 907 CB ALA A 59 6.315 12.172 1.405 1.00 11.13 C ATOM 0 H ALA A 59 6.326 12.008 3.861 1.00 41.45 H new ATOM 0 HA ALA A 59 6.395 10.074 1.818 1.00 31.10 H new ATOM 0 HB1 ALA A 59 6.451 12.050 0.330 1.00 11.13 H new ATOM 0 HB2 ALA A 59 5.251 12.237 1.631 1.00 11.13 H new ATOM 0 HB3 ALA A 59 6.812 13.085 1.732 1.00 11.13 H new ATOM 913 N LYS A 60 9.214 11.745 2.250 1.00 22.10 N ATOM 914 CA LYS A 60 10.645 11.711 1.976 1.00 43.43 C ATOM 915 C LYS A 60 11.297 10.500 2.637 1.00 44.53 C ATOM 916 O LYS A 60 12.344 10.027 2.193 1.00 71.50 O ATOM 917 CB LYS A 60 11.312 12.995 2.472 1.00 11.35 C ATOM 918 CG LYS A 60 10.723 14.259 1.867 1.00 62.21 C ATOM 919 CD LYS A 60 11.407 14.622 0.559 1.00 33.21 C ATOM 920 CE LYS A 60 12.774 15.245 0.800 1.00 54.51 C ATOM 921 NZ LYS A 60 12.669 16.563 1.484 1.00 2.20 N ATOM 0 H LYS A 60 8.915 12.527 2.833 1.00 22.10 H new ATOM 0 HA LYS A 60 10.780 11.632 0.897 1.00 43.43 H new ATOM 0 HB2 LYS A 60 11.222 13.045 3.557 1.00 11.35 H new ATOM 0 HB3 LYS A 60 12.377 12.954 2.242 1.00 11.35 H new ATOM 0 HG2 LYS A 60 9.656 14.118 1.694 1.00 62.21 H new ATOM 0 HG3 LYS A 60 10.825 15.083 2.573 1.00 62.21 H new ATOM 0 HD2 LYS A 60 11.516 13.729 -0.056 1.00 33.21 H new ATOM 0 HD3 LYS A 60 10.781 15.319 0.001 1.00 33.21 H new ATOM 0 HE2 LYS A 60 13.380 14.569 1.404 1.00 54.51 H new ATOM 0 HE3 LYS A 60 13.289 15.370 -0.152 1.00 54.51 H new ATOM 0 HZ1 LYS A 60 13.538 17.110 1.319 1.00 2.20 H new ATOM 0 HZ2 LYS A 60 11.854 17.086 1.106 1.00 2.20 H new ATOM 0 HZ3 LYS A 60 12.542 16.415 2.506 1.00 2.20 H new ATOM 935 N PHE A 61 10.670 10.002 3.697 1.00 3.33 N ATOM 936 CA PHE A 61 11.189 8.845 4.418 1.00 2.23 C ATOM 937 C PHE A 61 10.810 7.548 3.710 1.00 63.03 C ATOM 938 O PHE A 61 11.560 6.571 3.737 1.00 32.02 O ATOM 939 CB PHE A 61 10.656 8.831 5.852 1.00 0.21 C ATOM 940 CG PHE A 61 10.775 7.492 6.522 1.00 54.32 C ATOM 941 CD1 PHE A 61 11.991 6.831 6.569 1.00 62.02 C ATOM 942 CD2 PHE A 61 9.668 6.894 7.105 1.00 64.04 C ATOM 943 CE1 PHE A 61 12.104 5.599 7.185 1.00 74.24 C ATOM 944 CE2 PHE A 61 9.775 5.662 7.722 1.00 12.11 C ATOM 945 CZ PHE A 61 10.994 5.013 7.761 1.00 15.15 C ATOM 0 H PHE A 61 9.802 10.381 4.076 1.00 3.33 H new ATOM 0 HA PHE A 61 12.276 8.921 4.442 1.00 2.23 H new ATOM 0 HB2 PHE A 61 11.198 9.572 6.440 1.00 0.21 H new ATOM 0 HB3 PHE A 61 9.609 9.133 5.845 1.00 0.21 H new ATOM 0 HD1 PHE A 61 12.862 7.284 6.119 1.00 62.02 H new ATOM 0 HD2 PHE A 61 8.712 7.396 7.077 1.00 64.04 H new ATOM 0 HE1 PHE A 61 13.059 5.095 7.216 1.00 74.24 H new ATOM 0 HE2 PHE A 61 8.906 5.207 8.174 1.00 12.11 H new ATOM 0 HZ PHE A 61 11.079 4.049 8.241 1.00 15.15 H new ATOM 955 N TYR A 62 9.643 7.546 3.076 1.00 32.42 N ATOM 956 CA TYR A 62 9.162 6.369 2.363 1.00 23.23 C ATOM 957 C TYR A 62 10.141 5.958 1.267 1.00 34.34 C ATOM 958 O TYR A 62 10.400 6.715 0.334 1.00 15.52 O ATOM 959 CB TYR A 62 7.785 6.641 1.756 1.00 10.12 C ATOM 960 CG TYR A 62 7.303 5.545 0.833 1.00 52.50 C ATOM 961 CD1 TYR A 62 6.604 4.451 1.327 1.00 24.53 C ATOM 962 CD2 TYR A 62 7.545 5.605 -0.535 1.00 21.14 C ATOM 963 CE1 TYR A 62 6.162 3.447 0.487 1.00 21.13 C ATOM 964 CE2 TYR A 62 7.106 4.606 -1.382 1.00 13.23 C ATOM 965 CZ TYR A 62 6.415 3.529 -0.866 1.00 12.23 C ATOM 966 OH TYR A 62 5.977 2.532 -1.706 1.00 50.23 O ATOM 0 H TYR A 62 9.012 8.347 3.041 1.00 32.42 H new ATOM 0 HA TYR A 62 9.081 5.551 3.079 1.00 23.23 H new ATOM 0 HB2 TYR A 62 7.062 6.771 2.561 1.00 10.12 H new ATOM 0 HB3 TYR A 62 7.820 7.580 1.204 1.00 10.12 H new ATOM 0 HD1 TYR A 62 6.403 4.384 2.386 1.00 24.53 H new ATOM 0 HD2 TYR A 62 8.085 6.447 -0.942 1.00 21.14 H new ATOM 0 HE1 TYR A 62 5.621 2.602 0.888 1.00 21.13 H new ATOM 0 HE2 TYR A 62 7.303 4.668 -2.442 1.00 13.23 H new ATOM 0 HH TYR A 62 6.236 2.743 -2.627 1.00 50.23 H new ATOM 976 N GLY A 63 10.683 4.750 1.390 1.00 40.13 N ATOM 977 CA GLY A 63 11.627 4.257 0.404 1.00 72.34 C ATOM 978 C GLY A 63 13.062 4.602 0.752 1.00 74.14 C ATOM 979 O GLY A 63 13.980 4.312 -0.013 1.00 43.14 O ATOM 0 H GLY A 63 10.485 4.104 2.154 1.00 40.13 H new ATOM 0 HA2 GLY A 63 11.527 3.175 0.319 1.00 72.34 H new ATOM 0 HA3 GLY A 63 11.382 4.677 -0.571 1.00 72.34 H new ATOM 983 N SER A 64 13.254 5.225 1.911 1.00 42.34 N ATOM 984 CA SER A 64 14.587 5.615 2.356 1.00 42.13 C ATOM 985 C SER A 64 15.317 6.396 1.267 1.00 75.12 C ATOM 986 O SER A 64 16.428 6.042 0.873 1.00 51.45 O ATOM 987 CB SER A 64 15.400 4.379 2.744 1.00 64.33 C ATOM 988 OG SER A 64 16.732 4.729 3.077 1.00 44.30 O ATOM 0 H SER A 64 12.504 5.470 2.558 1.00 42.34 H new ATOM 0 HA SER A 64 14.478 6.258 3.229 1.00 42.13 H new ATOM 0 HB2 SER A 64 14.929 3.881 3.591 1.00 64.33 H new ATOM 0 HB3 SER A 64 15.403 3.668 1.918 1.00 64.33 H new ATOM 0 HG SER A 64 17.172 5.123 2.295 1.00 44.30 H new ATOM 994 N ILE A 65 14.683 7.461 0.787 1.00 12.11 N ATOM 995 CA ILE A 65 15.271 8.293 -0.255 1.00 12.53 C ATOM 996 C ILE A 65 16.010 9.485 0.344 1.00 32.35 C ATOM 997 O ILE A 65 16.312 10.454 -0.351 1.00 35.14 O ATOM 998 CB ILE A 65 14.201 8.808 -1.235 1.00 52.25 C ATOM 999 CG1 ILE A 65 13.179 7.709 -1.533 1.00 51.25 C ATOM 1000 CG2 ILE A 65 14.851 9.296 -2.522 1.00 73.40 C ATOM 1001 CD1 ILE A 65 12.109 8.128 -2.517 1.00 34.53 C ATOM 0 H ILE A 65 13.763 7.767 1.103 1.00 12.11 H new ATOM 0 HA ILE A 65 15.978 7.665 -0.798 1.00 12.53 H new ATOM 0 HB ILE A 65 13.681 9.647 -0.772 1.00 52.25 H new ATOM 0 HG12 ILE A 65 13.701 6.836 -1.926 1.00 51.25 H new ATOM 0 HG13 ILE A 65 12.704 7.404 -0.601 1.00 51.25 H new ATOM 0 HG21 ILE A 65 14.081 9.657 -3.204 1.00 73.40 H new ATOM 0 HG22 ILE A 65 15.544 10.106 -2.295 1.00 73.40 H new ATOM 0 HG23 ILE A 65 15.394 8.475 -2.989 1.00 73.40 H new ATOM 0 HD11 ILE A 65 11.420 7.299 -2.680 1.00 34.53 H new ATOM 0 HD12 ILE A 65 11.561 8.982 -2.118 1.00 34.53 H new ATOM 0 HD13 ILE A 65 12.573 8.405 -3.463 1.00 34.53 H new ATOM 1013 N GLN A 66 16.299 9.404 1.640 1.00 50.24 N ATOM 1014 CA GLN A 66 17.003 10.476 2.333 1.00 64.02 C ATOM 1015 C GLN A 66 18.366 10.731 1.697 1.00 52.30 C ATOM 1016 O GLN A 66 19.039 9.777 1.313 1.00 4.10 O ATOM 1017 CB GLN A 66 17.176 10.128 3.812 1.00 35.54 C ATOM 1018 CG GLN A 66 15.861 10.010 4.567 1.00 74.12 C ATOM 1019 CD GLN A 66 16.041 9.486 5.977 1.00 25.41 C ATOM 1020 OE1 GLN A 66 16.413 10.229 6.886 1.00 51.14 O ATOM 1021 NE2 GLN A 66 15.780 8.197 6.168 1.00 0.22 N ATOM 0 H GLN A 66 16.056 8.608 2.230 1.00 50.24 H new ATOM 0 HA GLN A 66 16.406 11.384 2.248 1.00 64.02 H new ATOM 0 HB2 GLN A 66 17.718 9.186 3.894 1.00 35.54 H new ATOM 0 HB3 GLN A 66 17.791 10.892 4.287 1.00 35.54 H new ATOM 0 HG2 GLN A 66 15.380 10.987 4.606 1.00 74.12 H new ATOM 0 HG3 GLN A 66 15.191 9.347 4.020 1.00 74.12 H new ATOM 0 HE21 GLN A 66 15.474 7.617 5.386 1.00 0.22 H new ATOM 0 HE22 GLN A 66 15.886 7.787 7.096 1.00 0.22 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -2.951 11.617 13.040 1.00 73.14 CA HETATM 1032 CA CA A 102 7.425 15.564 13.148 1.00 52.25 CA