USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.372 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 139:sc= 1.61 (180deg=0.369) USER MOD Single : A 14 HIS : no HE2:sc= 0.966 K(o=0.97,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ -136:sc= 0.693 (180deg=-3.35!) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0952 (180deg=-0.547) USER MOD Single : A 30 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.49) USER MOD Single : A 36 CYS SG : rot 88:sc= -2.02! USER MOD Single : A 39 GLN : amide:sc= -0.614 K(o=-0.61,f=-0.034) USER MOD Single : A 40 ASN : amide:sc= -2.08! C(o=-2.1!,f=-6.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -100:sc= -0.0316 USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= -0.19 (180deg=-0.987) USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= -0.882 (180deg=-2.02!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 71:sc= -0.406 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.006 -13.706 2.607 1.00 0.00 N ATOM 2 CA ALA A 1 1.422 -12.418 1.966 1.00 0.00 C ATOM 3 C ALA A 1 1.054 -11.349 2.991 1.00 0.00 C ATOM 4 O ALA A 1 0.555 -11.711 4.038 1.00 0.00 O ATOM 5 CB ALA A 1 0.649 -12.113 0.676 1.00 0.00 C ATOM 0 H1 ALA A 1 1.850 -14.222 2.930 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.390 -13.506 3.421 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.489 -14.286 1.916 1.00 0.00 H new ATOM 0 HA ALA A 1 2.478 -12.459 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.996 -11.167 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.817 -12.912 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.416 -12.043 0.898 1.00 0.00 H new ATOM 13 N PHE A 2 1.289 -10.115 2.672 1.00 0.00 N ATOM 14 CA PHE A 2 0.956 -8.994 3.631 1.00 0.00 C ATOM 15 C PHE A 2 -0.058 -8.198 2.799 1.00 0.00 C ATOM 16 O PHE A 2 0.195 -8.070 1.615 1.00 0.00 O ATOM 17 CB PHE A 2 2.290 -8.221 3.922 1.00 0.00 C ATOM 18 CG PHE A 2 2.308 -7.477 5.283 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.146 -7.105 5.940 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.527 -7.168 5.887 1.00 0.00 C ATOM 21 CE1 PHE A 2 1.193 -6.453 7.150 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.568 -6.513 7.102 1.00 0.00 C ATOM 23 CZ PHE A 2 2.401 -6.154 7.735 1.00 0.00 C ATOM 0 H PHE A 2 1.699 -9.816 1.787 1.00 0.00 H new ATOM 0 HA PHE A 2 0.552 -9.260 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.120 -8.927 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.460 -7.499 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.188 -7.331 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.450 -7.444 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.274 -6.174 7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.520 -6.282 7.557 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.433 -5.641 8.685 1.00 0.00 H new ATOM 33 N GLU A 3 -1.122 -7.695 3.350 1.00 0.00 N ATOM 34 CA GLU A 3 -2.142 -6.916 2.569 1.00 0.00 C ATOM 35 C GLU A 3 -2.163 -5.468 3.063 1.00 0.00 C ATOM 36 O GLU A 3 -1.212 -5.008 3.663 1.00 0.00 O ATOM 37 CB GLU A 3 -3.529 -7.651 2.753 1.00 0.00 C ATOM 38 CG GLU A 3 -3.579 -8.386 4.122 1.00 0.00 C ATOM 39 CD GLU A 3 -3.247 -7.392 5.233 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.898 -6.368 5.236 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.352 -7.732 5.984 1.00 0.00 O ATOM 0 H GLU A 3 -1.342 -7.790 4.341 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.906 -6.875 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.342 -6.927 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.678 -8.366 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.568 -8.814 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.868 -9.212 4.132 1.00 0.00 H new ATOM 48 N PHE A 4 -3.239 -4.792 2.758 1.00 0.00 N ATOM 49 CA PHE A 4 -3.380 -3.359 3.195 1.00 0.00 C ATOM 50 C PHE A 4 -4.670 -2.988 3.974 1.00 0.00 C ATOM 51 O PHE A 4 -4.619 -2.065 4.768 1.00 0.00 O ATOM 52 CB PHE A 4 -3.258 -2.412 1.939 1.00 0.00 C ATOM 53 CG PHE A 4 -3.206 -0.921 2.369 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.534 -0.499 3.513 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.840 0.036 1.597 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.504 0.835 3.865 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.805 1.370 1.954 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.138 1.763 3.087 1.00 0.00 C ATOM 0 H PHE A 4 -4.027 -5.163 2.227 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.571 -3.220 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.359 -2.663 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.106 -2.573 1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.030 -1.225 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.369 -0.264 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.979 1.146 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.304 2.105 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.114 2.807 3.364 1.00 0.00 H new ATOM 68 N LYS A 5 -5.806 -3.622 3.790 1.00 0.00 N ATOM 69 CA LYS A 5 -7.007 -3.210 4.582 1.00 0.00 C ATOM 70 C LYS A 5 -7.543 -4.511 5.214 1.00 0.00 C ATOM 71 O LYS A 5 -7.129 -5.589 4.844 1.00 0.00 O ATOM 72 CB LYS A 5 -8.104 -2.611 3.671 1.00 0.00 C ATOM 73 CG LYS A 5 -7.582 -1.787 2.419 1.00 0.00 C ATOM 74 CD LYS A 5 -6.669 -0.536 2.710 1.00 0.00 C ATOM 75 CE LYS A 5 -7.331 0.615 3.508 1.00 0.00 C ATOM 76 NZ LYS A 5 -6.286 1.622 3.928 1.00 0.00 N ATOM 0 H LYS A 5 -5.951 -4.393 3.138 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.743 -2.450 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.735 -3.423 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.736 -1.959 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.026 -2.468 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.449 -1.448 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.789 -0.873 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.318 -0.137 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.091 1.101 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.836 0.215 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.663 2.584 3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.038 1.469 4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.437 1.507 3.339 1.00 0.00 H new ATOM 90 N LEU A 6 -8.467 -4.370 6.126 1.00 0.00 N ATOM 91 CA LEU A 6 -9.060 -5.548 6.826 1.00 0.00 C ATOM 92 C LEU A 6 -10.305 -6.026 6.071 1.00 0.00 C ATOM 93 O LEU A 6 -10.705 -5.433 5.091 1.00 0.00 O ATOM 94 CB LEU A 6 -9.455 -5.108 8.245 1.00 0.00 C ATOM 95 CG LEU A 6 -8.243 -4.612 9.081 1.00 0.00 C ATOM 96 CD1 LEU A 6 -8.757 -3.923 10.374 1.00 0.00 C ATOM 97 CD2 LEU A 6 -7.314 -5.795 9.435 1.00 0.00 C ATOM 0 H LEU A 6 -8.844 -3.469 6.422 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.340 -6.365 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.196 -4.311 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.929 -5.943 8.761 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.671 -3.893 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.908 -3.574 10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.388 -3.075 10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.336 -4.636 10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.470 -5.432 10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.869 -6.532 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.948 -6.257 8.518 1.00 0.00 H new ATOM 109 N PRO A 7 -10.906 -7.089 6.536 1.00 0.00 N ATOM 110 CA PRO A 7 -12.369 -7.283 6.410 1.00 0.00 C ATOM 111 C PRO A 7 -13.041 -6.126 7.165 1.00 0.00 C ATOM 112 O PRO A 7 -13.456 -6.308 8.292 1.00 0.00 O ATOM 113 CB PRO A 7 -12.619 -8.687 7.011 1.00 0.00 C ATOM 114 CG PRO A 7 -11.231 -9.390 6.839 1.00 0.00 C ATOM 115 CD PRO A 7 -10.253 -8.248 7.206 1.00 0.00 C ATOM 0 HA PRO A 7 -12.776 -7.259 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.917 -8.632 8.058 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.410 -9.219 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.123 -10.250 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.077 -9.749 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.169 -8.108 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.247 -8.429 6.828 1.00 0.00 H new ATOM 123 N ASP A 8 -13.108 -4.990 6.524 1.00 0.00 N ATOM 124 CA ASP A 8 -13.729 -3.797 7.138 1.00 0.00 C ATOM 125 C ASP A 8 -14.836 -3.368 6.181 1.00 0.00 C ATOM 126 O ASP A 8 -15.966 -3.719 6.459 1.00 0.00 O ATOM 127 CB ASP A 8 -12.672 -2.757 7.252 1.00 0.00 C ATOM 128 CG ASP A 8 -13.174 -1.566 8.058 1.00 0.00 C ATOM 129 OD1 ASP A 8 -14.151 -0.982 7.608 1.00 0.00 O ATOM 130 OD2 ASP A 8 -12.540 -1.329 9.065 1.00 0.00 O ATOM 0 H ASP A 8 -12.749 -4.843 5.581 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.145 -3.975 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.789 -3.180 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.369 -2.428 6.258 1.00 0.00 H new ATOM 135 N ILE A 9 -14.536 -2.672 5.102 1.00 0.00 N ATOM 136 CA ILE A 9 -15.605 -2.225 4.135 1.00 0.00 C ATOM 137 C ILE A 9 -16.881 -1.798 4.908 1.00 0.00 C ATOM 138 O ILE A 9 -17.988 -1.996 4.441 1.00 0.00 O ATOM 139 CB ILE A 9 -15.970 -3.413 3.105 1.00 0.00 C ATOM 140 CG1 ILE A 9 -16.470 -4.702 3.826 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.751 -3.757 2.225 1.00 0.00 C ATOM 142 CD1 ILE A 9 -17.016 -5.725 2.799 1.00 0.00 C ATOM 0 H ILE A 9 -13.589 -2.392 4.847 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.223 -1.374 3.572 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.786 -3.045 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.653 -5.148 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.251 -4.445 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.014 -4.560 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.452 -2.876 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.924 -4.079 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.360 -6.617 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.848 -5.282 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.225 -5.996 2.100 1.00 0.00 H new ATOM 154 N GLY A 10 -16.678 -1.220 6.062 1.00 0.00 N ATOM 155 CA GLY A 10 -17.815 -0.773 6.897 1.00 0.00 C ATOM 156 C GLY A 10 -17.854 0.730 7.092 1.00 0.00 C ATOM 157 O GLY A 10 -18.026 1.475 6.146 1.00 0.00 O ATOM 0 H GLY A 10 -15.757 -1.039 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.747 -1.098 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.756 -1.258 7.871 1.00 0.00 H new ATOM 161 N GLU A 11 -17.677 1.151 8.310 1.00 0.00 N ATOM 162 CA GLU A 11 -17.706 2.591 8.632 1.00 0.00 C ATOM 163 C GLU A 11 -16.297 3.128 8.844 1.00 0.00 C ATOM 164 O GLU A 11 -15.499 2.542 9.542 1.00 0.00 O ATOM 165 CB GLU A 11 -18.519 2.698 9.873 1.00 0.00 C ATOM 166 CG GLU A 11 -19.953 2.177 9.632 1.00 0.00 C ATOM 167 CD GLU A 11 -20.673 2.224 10.971 1.00 0.00 C ATOM 168 OE1 GLU A 11 -20.966 3.336 11.376 1.00 0.00 O ATOM 169 OE2 GLU A 11 -20.868 1.143 11.494 1.00 0.00 O ATOM 0 H GLU A 11 -17.510 0.540 9.109 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.133 3.182 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.048 2.126 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.554 3.736 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.468 2.793 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.933 1.160 9.240 1.00 0.00 H new ATOM 176 N GLY A 12 -16.032 4.243 8.238 1.00 0.00 N ATOM 177 CA GLY A 12 -14.703 4.890 8.353 1.00 0.00 C ATOM 178 C GLY A 12 -14.110 4.906 6.967 1.00 0.00 C ATOM 179 O GLY A 12 -14.154 5.933 6.323 1.00 0.00 O ATOM 0 H GLY A 12 -16.698 4.747 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.798 5.902 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.062 4.340 9.042 1.00 0.00 H new ATOM 183 N ILE A 13 -13.590 3.795 6.530 1.00 0.00 N ATOM 184 CA ILE A 13 -12.984 3.747 5.171 1.00 0.00 C ATOM 185 C ILE A 13 -13.455 2.507 4.400 1.00 0.00 C ATOM 186 O ILE A 13 -13.467 1.418 4.936 1.00 0.00 O ATOM 187 CB ILE A 13 -11.451 3.773 5.362 1.00 0.00 C ATOM 188 CG1 ILE A 13 -10.924 5.127 5.997 1.00 0.00 C ATOM 189 CG2 ILE A 13 -10.688 3.460 4.054 1.00 0.00 C ATOM 190 CD1 ILE A 13 -11.153 6.335 5.059 1.00 0.00 C ATOM 0 H ILE A 13 -13.558 2.920 7.053 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.297 4.601 4.570 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.242 2.976 6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.431 5.304 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.860 5.035 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.615 3.491 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.966 2.467 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.945 4.201 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.777 7.241 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.624 6.172 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.219 6.445 4.861 1.00 0.00 H new ATOM 202 N HIS A 14 -13.832 2.687 3.169 1.00 0.00 N ATOM 203 CA HIS A 14 -14.293 1.541 2.325 1.00 0.00 C ATOM 204 C HIS A 14 -13.277 1.558 1.183 1.00 0.00 C ATOM 205 O HIS A 14 -12.810 0.515 0.764 1.00 0.00 O ATOM 206 CB HIS A 14 -15.759 1.795 1.848 1.00 0.00 C ATOM 207 CG HIS A 14 -16.213 0.679 0.904 1.00 0.00 C ATOM 208 ND1 HIS A 14 -16.142 0.740 -0.379 1.00 0.00 N ATOM 209 CD2 HIS A 14 -16.750 -0.568 1.156 1.00 0.00 C ATOM 210 CE1 HIS A 14 -16.585 -0.360 -0.902 1.00 0.00 C ATOM 211 NE2 HIS A 14 -16.974 -1.202 0.022 1.00 0.00 N ATOM 0 H HIS A 14 -13.842 3.592 2.699 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.329 0.574 2.827 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -16.425 1.845 2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.822 2.758 1.340 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -15.789 1.538 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.956 -0.966 2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -16.628 -0.557 -1.963 1.00 0.00 H new ATOM 219 N GLU A 15 -12.965 2.737 0.717 1.00 0.00 N ATOM 220 CA GLU A 15 -11.987 2.925 -0.386 1.00 0.00 C ATOM 221 C GLU A 15 -10.963 3.989 -0.003 1.00 0.00 C ATOM 222 O GLU A 15 -11.129 4.702 0.968 1.00 0.00 O ATOM 223 CB GLU A 15 -12.752 3.346 -1.692 1.00 0.00 C ATOM 224 CG GLU A 15 -13.712 4.562 -1.487 1.00 0.00 C ATOM 225 CD GLU A 15 -14.859 4.173 -0.573 1.00 0.00 C ATOM 226 OE1 GLU A 15 -15.641 3.373 -1.052 1.00 0.00 O ATOM 227 OE2 GLU A 15 -14.877 4.680 0.536 1.00 0.00 O ATOM 0 H GLU A 15 -13.364 3.606 1.071 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.458 1.989 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.025 3.593 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.328 2.496 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.163 5.400 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.101 4.895 -2.449 1.00 0.00 H new ATOM 234 N GLY A 16 -9.916 4.062 -0.772 1.00 0.00 N ATOM 235 CA GLY A 16 -8.842 5.069 -0.502 1.00 0.00 C ATOM 236 C GLY A 16 -8.505 5.819 -1.783 1.00 0.00 C ATOM 237 O GLY A 16 -8.606 5.254 -2.857 1.00 0.00 O ATOM 0 H GLY A 16 -9.752 3.466 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.172 5.770 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.952 4.571 -0.116 1.00 0.00 H new ATOM 241 N GLU A 17 -8.104 7.057 -1.660 1.00 0.00 N ATOM 242 CA GLU A 17 -7.748 7.870 -2.845 1.00 0.00 C ATOM 243 C GLU A 17 -6.222 7.796 -2.903 1.00 0.00 C ATOM 244 O GLU A 17 -5.549 8.532 -2.205 1.00 0.00 O ATOM 245 CB GLU A 17 -8.204 9.308 -2.622 1.00 0.00 C ATOM 246 CG GLU A 17 -8.024 10.081 -3.942 1.00 0.00 C ATOM 247 CD GLU A 17 -7.912 11.601 -3.643 1.00 0.00 C ATOM 248 OE1 GLU A 17 -8.895 12.175 -3.219 1.00 0.00 O ATOM 249 OE2 GLU A 17 -6.844 12.143 -3.837 1.00 0.00 O ATOM 0 H GLU A 17 -8.009 7.542 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.213 7.520 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.247 9.331 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.621 9.773 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.129 9.735 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.869 9.891 -4.605 1.00 0.00 H new ATOM 256 N ILE A 18 -5.683 6.930 -3.705 1.00 0.00 N ATOM 257 CA ILE A 18 -4.225 6.818 -3.798 1.00 0.00 C ATOM 258 C ILE A 18 -3.876 7.920 -4.796 1.00 0.00 C ATOM 259 O ILE A 18 -4.248 7.855 -5.955 1.00 0.00 O ATOM 260 CB ILE A 18 -3.872 5.439 -4.357 1.00 0.00 C ATOM 261 CG1 ILE A 18 -4.611 4.197 -3.764 1.00 0.00 C ATOM 262 CG2 ILE A 18 -2.410 5.316 -4.170 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.518 4.117 -2.241 1.00 0.00 C ATOM 0 H ILE A 18 -6.205 6.291 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.694 6.921 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.210 5.411 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.660 4.232 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.189 3.290 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.075 4.350 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.905 6.113 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.171 5.394 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.051 3.233 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.471 4.052 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.966 5.009 -1.802 1.00 0.00 H new ATOM 275 N VAL A 19 -3.165 8.881 -4.295 1.00 0.00 N ATOM 276 CA VAL A 19 -2.750 10.027 -5.121 1.00 0.00 C ATOM 277 C VAL A 19 -1.336 9.838 -5.650 1.00 0.00 C ATOM 278 O VAL A 19 -1.106 10.033 -6.824 1.00 0.00 O ATOM 279 CB VAL A 19 -2.831 11.285 -4.232 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.917 12.574 -5.074 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.998 11.181 -3.257 1.00 0.00 C ATOM 0 H VAL A 19 -2.849 8.917 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.403 10.123 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.909 11.342 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.973 13.438 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.032 12.656 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.808 12.540 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.037 12.078 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.930 11.083 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.863 10.307 -2.619 1.00 0.00 H new ATOM 291 N LYS A 20 -0.446 9.477 -4.770 1.00 0.00 N ATOM 292 CA LYS A 20 0.981 9.281 -5.194 1.00 0.00 C ATOM 293 C LYS A 20 1.666 8.045 -4.595 1.00 0.00 C ATOM 294 O LYS A 20 1.394 7.697 -3.455 1.00 0.00 O ATOM 295 CB LYS A 20 1.656 10.637 -4.799 1.00 0.00 C ATOM 296 CG LYS A 20 3.186 10.796 -4.914 1.00 0.00 C ATOM 297 CD LYS A 20 3.876 10.098 -3.713 1.00 0.00 C ATOM 298 CE LYS A 20 5.057 10.933 -3.256 1.00 0.00 C ATOM 299 NZ LYS A 20 4.517 12.094 -2.503 1.00 0.00 N ATOM 0 H LYS A 20 -0.635 9.309 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 20 1.065 9.061 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.202 11.416 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.385 10.845 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.537 10.362 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.451 11.853 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.167 9.972 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.211 9.101 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.723 10.343 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.643 11.269 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.016 12.959 -2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.502 12.196 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.655 11.941 -1.484 1.00 0.00 H new ATOM 313 N TRP A 21 2.519 7.430 -5.371 1.00 0.00 N ATOM 314 CA TRP A 21 3.280 6.230 -4.931 1.00 0.00 C ATOM 315 C TRP A 21 4.739 6.643 -4.889 1.00 0.00 C ATOM 316 O TRP A 21 5.119 7.704 -5.349 1.00 0.00 O ATOM 317 CB TRP A 21 3.164 5.063 -5.913 1.00 0.00 C ATOM 318 CG TRP A 21 2.014 4.180 -5.479 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.767 4.293 -5.984 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.061 3.193 -4.556 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.115 3.358 -5.334 1.00 0.00 N ATOM 322 CE2 TRP A 21 0.795 2.649 -4.463 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.076 2.682 -3.756 1.00 0.00 C ATOM 324 CZ2 TRP A 21 0.522 1.616 -3.607 1.00 0.00 C ATOM 325 CZ3 TRP A 21 2.793 1.639 -2.901 1.00 0.00 C ATOM 326 CH2 TRP A 21 1.524 1.111 -2.824 1.00 0.00 C ATOM 0 H TRP A 21 2.724 7.724 -6.326 1.00 0.00 H new ATOM 0 HA TRP A 21 2.885 5.897 -3.971 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.995 5.434 -6.924 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.092 4.492 -5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.399 4.979 -6.733 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.877 3.189 -5.498 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.072 3.096 -3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.475 1.204 -3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.578 1.230 -2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.319 0.297 -2.145 1.00 0.00 H new ATOM 337 N PHE A 22 5.518 5.766 -4.329 1.00 0.00 N ATOM 338 CA PHE A 22 6.982 6.011 -4.196 1.00 0.00 C ATOM 339 C PHE A 22 7.790 4.917 -4.893 1.00 0.00 C ATOM 340 O PHE A 22 8.665 5.205 -5.682 1.00 0.00 O ATOM 341 CB PHE A 22 7.349 6.049 -2.712 1.00 0.00 C ATOM 342 CG PHE A 22 6.642 7.205 -1.958 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.260 7.311 -1.857 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.414 8.176 -1.345 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.674 8.352 -1.168 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.830 9.215 -0.656 1.00 0.00 C ATOM 347 CZ PHE A 22 5.462 9.304 -0.564 1.00 0.00 C ATOM 0 H PHE A 22 5.199 4.874 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 22 7.220 6.964 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.080 5.099 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.429 6.159 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.635 6.566 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.491 8.118 -1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.598 8.420 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.450 9.964 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.007 10.118 -0.020 1.00 0.00 H new ATOM 357 N VAL A 23 7.495 3.680 -4.594 1.00 0.00 N ATOM 358 CA VAL A 23 8.258 2.572 -5.245 1.00 0.00 C ATOM 359 C VAL A 23 7.448 1.974 -6.394 1.00 0.00 C ATOM 360 O VAL A 23 6.304 2.319 -6.628 1.00 0.00 O ATOM 361 CB VAL A 23 8.585 1.467 -4.203 1.00 0.00 C ATOM 362 CG1 VAL A 23 9.209 2.222 -3.043 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.351 0.662 -3.727 1.00 0.00 C ATOM 0 H VAL A 23 6.770 3.390 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 23 9.189 2.977 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 23 9.238 0.713 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.475 1.520 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.105 2.739 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.495 2.950 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.664 -0.089 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.633 1.338 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.886 0.170 -4.581 1.00 0.00 H new ATOM 373 N LYS A 24 8.122 1.078 -7.049 1.00 0.00 N ATOM 374 CA LYS A 24 7.562 0.343 -8.219 1.00 0.00 C ATOM 375 C LYS A 24 7.514 -1.115 -7.762 1.00 0.00 C ATOM 376 O LYS A 24 8.261 -1.469 -6.869 1.00 0.00 O ATOM 377 CB LYS A 24 8.508 0.494 -9.472 1.00 0.00 C ATOM 378 CG LYS A 24 9.886 -0.266 -9.366 1.00 0.00 C ATOM 379 CD LYS A 24 10.779 0.302 -8.230 1.00 0.00 C ATOM 380 CE LYS A 24 12.143 -0.417 -8.198 1.00 0.00 C ATOM 381 NZ LYS A 24 12.782 -0.441 -9.546 1.00 0.00 N ATOM 0 H LYS A 24 9.078 0.812 -6.814 1.00 0.00 H new ATOM 0 HA LYS A 24 6.585 0.721 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.978 0.132 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.707 1.554 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.703 -1.325 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.416 -0.190 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.929 1.371 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.276 0.181 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.803 0.085 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.009 -1.438 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.793 -0.662 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.325 -1.167 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.673 0.489 -9.998 1.00 0.00 H new ATOM 395 N PRO A 25 6.676 -1.927 -8.352 1.00 0.00 N ATOM 396 CA PRO A 25 6.709 -3.381 -8.080 1.00 0.00 C ATOM 397 C PRO A 25 8.033 -4.009 -8.561 1.00 0.00 C ATOM 398 O PRO A 25 8.594 -3.590 -9.558 1.00 0.00 O ATOM 399 CB PRO A 25 5.462 -3.916 -8.816 1.00 0.00 C ATOM 400 CG PRO A 25 5.297 -2.915 -10.000 1.00 0.00 C ATOM 401 CD PRO A 25 5.618 -1.554 -9.336 1.00 0.00 C ATOM 0 HA PRO A 25 6.678 -3.631 -7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.608 -4.937 -9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.584 -3.925 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.981 -3.138 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.288 -2.937 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.975 -0.822 -10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.744 -1.122 -8.850 1.00 0.00 H new ATOM 409 N GLY A 26 8.485 -4.981 -7.825 1.00 0.00 N ATOM 410 CA GLY A 26 9.746 -5.695 -8.164 1.00 0.00 C ATOM 411 C GLY A 26 10.930 -5.129 -7.419 1.00 0.00 C ATOM 412 O GLY A 26 12.046 -5.348 -7.844 1.00 0.00 O ATOM 0 H GLY A 26 8.022 -5.320 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.639 -6.753 -7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.925 -5.626 -9.237 1.00 0.00 H new ATOM 416 N ASP A 27 10.692 -4.427 -6.346 1.00 0.00 N ATOM 417 CA ASP A 27 11.831 -3.845 -5.573 1.00 0.00 C ATOM 418 C ASP A 27 12.047 -4.612 -4.278 1.00 0.00 C ATOM 419 O ASP A 27 11.225 -5.435 -3.903 1.00 0.00 O ATOM 420 CB ASP A 27 11.509 -2.409 -5.248 1.00 0.00 C ATOM 421 CG ASP A 27 12.785 -1.667 -4.922 1.00 0.00 C ATOM 422 OD1 ASP A 27 13.437 -1.316 -5.895 1.00 0.00 O ATOM 423 OD2 ASP A 27 13.024 -1.507 -3.747 1.00 0.00 O ATOM 0 H ASP A 27 9.764 -4.230 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 27 12.739 -3.909 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.008 -1.937 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.822 -2.362 -4.403 1.00 0.00 H new ATOM 428 N GLU A 28 13.139 -4.295 -3.657 1.00 0.00 N ATOM 429 CA GLU A 28 13.571 -4.901 -2.381 1.00 0.00 C ATOM 430 C GLU A 28 13.882 -3.712 -1.490 1.00 0.00 C ATOM 431 O GLU A 28 14.986 -3.210 -1.393 1.00 0.00 O ATOM 432 CB GLU A 28 14.791 -5.768 -2.656 1.00 0.00 C ATOM 433 CG GLU A 28 14.347 -6.832 -3.657 1.00 0.00 C ATOM 434 CD GLU A 28 15.259 -8.053 -3.574 1.00 0.00 C ATOM 435 OE1 GLU A 28 14.980 -8.881 -2.719 1.00 0.00 O ATOM 436 OE2 GLU A 28 16.160 -8.101 -4.374 1.00 0.00 O ATOM 0 H GLU A 28 13.789 -3.593 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 28 12.832 -5.547 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.608 -5.171 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.156 -6.227 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.317 -7.125 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.368 -6.422 -4.667 1.00 0.00 H new ATOM 443 N VAL A 29 12.823 -3.326 -0.856 1.00 0.00 N ATOM 444 CA VAL A 29 12.847 -2.175 0.063 1.00 0.00 C ATOM 445 C VAL A 29 13.556 -2.586 1.352 1.00 0.00 C ATOM 446 O VAL A 29 13.958 -3.720 1.519 1.00 0.00 O ATOM 447 CB VAL A 29 11.347 -1.795 0.209 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.482 -2.943 0.815 1.00 0.00 C ATOM 449 CG2 VAL A 29 11.110 -0.509 0.949 1.00 0.00 C ATOM 0 H VAL A 29 11.912 -3.778 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 29 13.406 -1.303 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 29 11.017 -1.633 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.445 -2.616 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.539 -3.820 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.857 -3.196 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.039 -0.315 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.520 -0.588 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.598 0.310 0.421 1.00 0.00 H new ATOM 459 N ASN A 30 13.674 -1.644 2.240 1.00 0.00 N ATOM 460 CA ASN A 30 14.363 -1.924 3.562 1.00 0.00 C ATOM 461 C ASN A 30 13.378 -1.991 4.717 1.00 0.00 C ATOM 462 O ASN A 30 13.509 -2.701 5.702 1.00 0.00 O ATOM 463 CB ASN A 30 15.317 -0.837 3.839 1.00 0.00 C ATOM 464 CG ASN A 30 16.027 -1.118 5.182 1.00 0.00 C ATOM 465 OD1 ASN A 30 16.499 -2.222 5.421 1.00 0.00 O ATOM 466 ND2 ASN A 30 16.138 -0.181 6.072 1.00 0.00 N ATOM 0 H ASN A 30 13.330 -0.691 2.124 1.00 0.00 H new ATOM 0 HA ASN A 30 14.862 -2.889 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.049 -0.765 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.796 0.119 3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.613 -0.370 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.750 0.745 5.889 1.00 0.00 H new ATOM 473 N GLU A 31 12.435 -1.204 4.360 1.00 0.00 N ATOM 474 CA GLU A 31 11.173 -0.766 4.950 1.00 0.00 C ATOM 475 C GLU A 31 10.723 -0.300 6.332 1.00 0.00 C ATOM 476 O GLU A 31 10.086 -0.854 7.215 1.00 0.00 O ATOM 477 CB GLU A 31 10.243 -1.810 4.276 1.00 0.00 C ATOM 478 CG GLU A 31 8.755 -1.598 4.549 1.00 0.00 C ATOM 479 CD GLU A 31 8.409 -0.187 4.074 1.00 0.00 C ATOM 480 OE1 GLU A 31 8.229 -0.055 2.884 1.00 0.00 O ATOM 481 OE2 GLU A 31 8.349 0.673 4.928 1.00 0.00 O ATOM 0 H GLU A 31 12.535 -0.744 3.455 1.00 0.00 H new ATOM 0 HA GLU A 31 11.221 0.317 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.410 -1.785 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.525 -2.805 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.157 -2.340 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.538 -1.711 5.611 1.00 0.00 H new ATOM 488 N ASP A 32 11.258 0.863 6.229 1.00 0.00 N ATOM 489 CA ASP A 32 11.367 2.076 7.027 1.00 0.00 C ATOM 490 C ASP A 32 11.294 3.051 5.791 1.00 0.00 C ATOM 491 O ASP A 32 11.793 4.158 5.839 1.00 0.00 O ATOM 492 CB ASP A 32 12.767 2.086 7.738 1.00 0.00 C ATOM 493 CG ASP A 32 13.932 1.806 6.755 1.00 0.00 C ATOM 494 OD1 ASP A 32 13.766 0.967 5.881 1.00 0.00 O ATOM 495 OD2 ASP A 32 14.972 2.418 6.908 1.00 0.00 O ATOM 0 H ASP A 32 11.762 1.039 5.360 1.00 0.00 H new ATOM 0 HA ASP A 32 10.660 2.267 7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.922 3.054 8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.775 1.336 8.529 1.00 0.00 H new ATOM 500 N ASP A 33 10.637 2.583 4.745 1.00 0.00 N ATOM 501 CA ASP A 33 10.421 3.257 3.421 1.00 0.00 C ATOM 502 C ASP A 33 8.945 3.616 3.227 1.00 0.00 C ATOM 503 O ASP A 33 8.176 3.539 4.165 1.00 0.00 O ATOM 504 CB ASP A 33 10.865 2.278 2.292 1.00 0.00 C ATOM 505 CG ASP A 33 12.344 2.354 1.916 1.00 0.00 C ATOM 506 OD1 ASP A 33 12.711 3.430 1.471 1.00 0.00 O ATOM 507 OD2 ASP A 33 13.024 1.343 2.078 1.00 0.00 O ATOM 0 H ASP A 33 10.200 1.662 4.772 1.00 0.00 H new ATOM 0 HA ASP A 33 11.005 4.177 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.637 1.259 2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.269 2.479 1.402 1.00 0.00 H new ATOM 512 N VAL A 34 8.567 4.020 2.031 1.00 0.00 N ATOM 513 CA VAL A 34 7.190 4.377 1.724 1.00 0.00 C ATOM 514 C VAL A 34 6.708 3.468 0.634 1.00 0.00 C ATOM 515 O VAL A 34 7.438 2.855 -0.119 1.00 0.00 O ATOM 516 CB VAL A 34 7.064 5.742 1.133 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.727 6.330 1.432 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.111 6.645 1.724 1.00 0.00 C ATOM 0 H VAL A 34 9.205 4.111 1.240 1.00 0.00 H new ATOM 0 HA VAL A 34 6.636 4.313 2.660 1.00 0.00 H new ATOM 0 HB VAL A 34 7.191 5.654 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.660 7.324 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.948 5.694 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.595 6.402 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.018 7.641 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.974 6.704 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.101 6.246 1.505 1.00 0.00 H new ATOM 528 N LEU A 35 5.427 3.510 0.616 1.00 0.00 N ATOM 529 CA LEU A 35 4.637 2.742 -0.356 1.00 0.00 C ATOM 530 C LEU A 35 3.764 3.811 -0.987 1.00 0.00 C ATOM 531 O LEU A 35 4.133 4.375 -1.998 1.00 0.00 O ATOM 532 CB LEU A 35 3.716 1.650 0.312 1.00 0.00 C ATOM 533 CG LEU A 35 4.468 0.294 0.562 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.841 0.433 1.244 1.00 0.00 C ATOM 535 CD2 LEU A 35 3.596 -0.669 1.386 1.00 0.00 C ATOM 0 H LEU A 35 4.869 4.068 1.262 1.00 0.00 H new ATOM 0 HA LEU A 35 5.277 2.191 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.337 2.031 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.852 1.469 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 35 4.655 -0.105 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.284 -0.554 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.495 1.045 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.717 0.907 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.137 -1.602 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.362 -0.214 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.671 -0.874 0.847 1.00 0.00 H new ATOM 547 N CYS A 36 2.661 4.084 -0.349 1.00 0.00 N ATOM 548 CA CYS A 36 1.706 5.095 -0.880 1.00 0.00 C ATOM 549 C CYS A 36 1.359 6.244 0.068 1.00 0.00 C ATOM 550 O CYS A 36 1.774 6.257 1.214 1.00 0.00 O ATOM 551 CB CYS A 36 0.465 4.294 -1.283 1.00 0.00 C ATOM 552 SG CYS A 36 -0.643 3.673 0.005 1.00 0.00 S ATOM 0 H CYS A 36 2.378 3.645 0.527 1.00 0.00 H new ATOM 0 HA CYS A 36 2.169 5.622 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.127 4.920 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.803 3.437 -1.866 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.532 4.579 0.287 1.00 0.00 H new ATOM 558 N GLU A 37 0.601 7.143 -0.503 1.00 0.00 N ATOM 559 CA GLU A 37 0.073 8.403 0.115 1.00 0.00 C ATOM 560 C GLU A 37 -1.425 8.458 -0.252 1.00 0.00 C ATOM 561 O GLU A 37 -1.731 8.124 -1.388 1.00 0.00 O ATOM 562 CB GLU A 37 0.823 9.584 -0.565 1.00 0.00 C ATOM 563 CG GLU A 37 1.629 10.519 0.289 1.00 0.00 C ATOM 564 CD GLU A 37 2.374 11.542 -0.578 1.00 0.00 C ATOM 565 OE1 GLU A 37 1.906 11.965 -1.627 1.00 0.00 O ATOM 566 OE2 GLU A 37 3.457 11.892 -0.158 1.00 0.00 O ATOM 0 H GLU A 37 0.298 7.040 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 37 0.209 8.448 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.493 9.161 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.083 10.180 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.973 11.037 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.344 9.951 0.884 1.00 0.00 H new ATOM 573 N VAL A 38 -2.296 8.867 0.636 1.00 0.00 N ATOM 574 CA VAL A 38 -3.753 8.923 0.270 1.00 0.00 C ATOM 575 C VAL A 38 -4.334 10.212 0.821 1.00 0.00 C ATOM 576 O VAL A 38 -3.854 10.743 1.801 1.00 0.00 O ATOM 577 CB VAL A 38 -4.473 7.700 0.861 1.00 0.00 C ATOM 578 CG1 VAL A 38 -6.008 7.861 0.860 1.00 0.00 C ATOM 579 CG2 VAL A 38 -4.186 6.508 -0.057 1.00 0.00 C ATOM 0 H VAL A 38 -2.071 9.162 1.586 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.882 8.905 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.121 7.574 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.468 6.970 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.283 8.732 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.359 7.995 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.683 5.620 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.559 6.722 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.111 6.333 -0.100 1.00 0.00 H new ATOM 589 N GLN A 39 -5.368 10.674 0.178 1.00 0.00 N ATOM 590 CA GLN A 39 -6.022 11.924 0.620 1.00 0.00 C ATOM 591 C GLN A 39 -7.406 11.562 1.152 1.00 0.00 C ATOM 592 O GLN A 39 -8.218 10.960 0.477 1.00 0.00 O ATOM 593 CB GLN A 39 -6.095 12.846 -0.606 1.00 0.00 C ATOM 594 CG GLN A 39 -6.458 14.320 -0.256 1.00 0.00 C ATOM 595 CD GLN A 39 -6.365 15.124 -1.557 1.00 0.00 C ATOM 596 OE1 GLN A 39 -5.875 16.234 -1.568 1.00 0.00 O ATOM 597 NE2 GLN A 39 -6.816 14.625 -2.664 1.00 0.00 N ATOM 0 H GLN A 39 -5.787 10.232 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.479 12.436 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.134 12.829 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.836 12.453 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.462 14.381 0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.774 14.718 0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.231 13.693 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.756 15.164 -3.528 1.00 0.00 H new ATOM 606 N ASN A 40 -7.634 11.921 2.376 1.00 0.00 N ATOM 607 CA ASN A 40 -8.931 11.667 3.054 1.00 0.00 C ATOM 608 C ASN A 40 -8.965 12.645 4.197 1.00 0.00 C ATOM 609 O ASN A 40 -7.970 13.281 4.476 1.00 0.00 O ATOM 610 CB ASN A 40 -9.052 10.205 3.598 1.00 0.00 C ATOM 611 CG ASN A 40 -7.827 9.693 4.326 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.817 9.469 3.696 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.815 9.473 5.607 1.00 0.00 N ATOM 0 H ASN A 40 -6.948 12.400 2.959 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.760 11.789 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.906 10.153 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.265 9.538 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.970 9.121 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.651 9.653 6.163 1.00 0.00 H new ATOM 620 N ASP A 41 -10.106 12.717 4.811 1.00 0.00 N ATOM 621 CA ASP A 41 -10.382 13.610 5.964 1.00 0.00 C ATOM 622 C ASP A 41 -9.226 14.429 6.510 1.00 0.00 C ATOM 623 O ASP A 41 -9.228 15.640 6.413 1.00 0.00 O ATOM 624 CB ASP A 41 -10.968 12.740 7.080 1.00 0.00 C ATOM 625 CG ASP A 41 -10.094 11.537 7.386 1.00 0.00 C ATOM 626 OD1 ASP A 41 -10.159 10.639 6.569 1.00 0.00 O ATOM 627 OD2 ASP A 41 -9.410 11.577 8.389 1.00 0.00 O ATOM 0 H ASP A 41 -10.912 12.153 4.540 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.065 14.372 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.087 13.340 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.962 12.401 6.790 1.00 0.00 H new ATOM 632 N LYS A 42 -8.289 13.742 7.082 1.00 0.00 N ATOM 633 CA LYS A 42 -7.091 14.402 7.671 1.00 0.00 C ATOM 634 C LYS A 42 -5.803 13.810 7.121 1.00 0.00 C ATOM 635 O LYS A 42 -4.730 14.246 7.494 1.00 0.00 O ATOM 636 CB LYS A 42 -7.125 14.204 9.181 1.00 0.00 C ATOM 637 CG LYS A 42 -8.514 14.651 9.709 1.00 0.00 C ATOM 638 CD LYS A 42 -8.601 14.551 11.236 1.00 0.00 C ATOM 639 CE LYS A 42 -10.080 14.802 11.616 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.273 14.793 13.100 1.00 0.00 N ATOM 0 H LYS A 42 -8.299 12.726 7.171 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.113 15.461 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.945 13.158 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.335 14.785 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.707 15.678 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.290 14.032 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.275 13.569 11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.950 15.286 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.403 15.761 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.709 14.036 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.275 14.964 13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.987 13.869 13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.691 15.540 13.530 1.00 0.00 H new ATOM 654 N ALA A 43 -5.897 12.839 6.263 1.00 0.00 N ATOM 655 CA ALA A 43 -4.639 12.236 5.719 1.00 0.00 C ATOM 656 C ALA A 43 -4.300 12.663 4.293 1.00 0.00 C ATOM 657 O ALA A 43 -5.155 13.033 3.511 1.00 0.00 O ATOM 658 CB ALA A 43 -4.803 10.751 5.793 1.00 0.00 C ATOM 0 H ALA A 43 -6.768 12.438 5.916 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.802 12.593 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.907 10.266 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.957 10.453 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.665 10.450 5.197 1.00 0.00 H new ATOM 664 N VAL A 44 -3.015 12.575 4.068 1.00 0.00 N ATOM 665 CA VAL A 44 -2.343 12.922 2.780 1.00 0.00 C ATOM 666 C VAL A 44 -1.413 11.745 2.360 1.00 0.00 C ATOM 667 O VAL A 44 -1.384 11.286 1.238 1.00 0.00 O ATOM 668 CB VAL A 44 -1.572 14.225 3.068 1.00 0.00 C ATOM 669 CG1 VAL A 44 -0.941 14.802 1.802 1.00 0.00 C ATOM 670 CG2 VAL A 44 -2.521 15.256 3.739 1.00 0.00 C ATOM 0 H VAL A 44 -2.360 12.252 4.780 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.033 13.074 1.950 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.755 13.996 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.407 15.720 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.244 14.078 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.722 15.020 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.973 16.176 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.356 15.470 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.900 14.846 4.675 1.00 0.00 H new ATOM 680 N VAL A 45 -0.673 11.318 3.338 1.00 0.00 N ATOM 681 CA VAL A 45 0.309 10.210 3.237 1.00 0.00 C ATOM 682 C VAL A 45 -0.289 9.040 3.927 1.00 0.00 C ATOM 683 O VAL A 45 -1.197 9.184 4.725 1.00 0.00 O ATOM 684 CB VAL A 45 1.631 10.625 3.937 1.00 0.00 C ATOM 685 CG1 VAL A 45 2.792 9.603 3.717 1.00 0.00 C ATOM 686 CG2 VAL A 45 2.028 11.955 3.353 1.00 0.00 C ATOM 0 H VAL A 45 -0.716 11.726 4.272 1.00 0.00 H new ATOM 0 HA VAL A 45 0.534 9.972 2.197 1.00 0.00 H new ATOM 0 HB VAL A 45 1.461 10.667 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.687 9.952 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.501 8.631 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.999 9.512 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.956 12.292 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.174 11.851 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.242 12.685 3.544 1.00 0.00 H new ATOM 696 N GLU A 46 0.286 7.935 3.565 1.00 0.00 N ATOM 697 CA GLU A 46 -0.185 6.661 4.153 1.00 0.00 C ATOM 698 C GLU A 46 0.749 5.796 4.958 1.00 0.00 C ATOM 699 O GLU A 46 0.635 5.600 6.151 1.00 0.00 O ATOM 700 CB GLU A 46 -0.804 5.745 3.052 1.00 0.00 C ATOM 701 CG GLU A 46 -2.151 6.303 2.628 1.00 0.00 C ATOM 702 CD GLU A 46 -3.151 5.134 2.478 1.00 0.00 C ATOM 703 OE1 GLU A 46 -2.931 4.384 1.550 1.00 0.00 O ATOM 704 OE2 GLU A 46 -4.074 5.005 3.268 1.00 0.00 O ATOM 0 H GLU A 46 1.052 7.859 2.896 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.887 7.051 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.135 5.688 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.922 4.730 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.513 7.017 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.056 6.842 1.685 1.00 0.00 H new ATOM 711 N ILE A 47 1.656 5.322 4.202 1.00 0.00 N ATOM 712 CA ILE A 47 2.727 4.417 4.689 1.00 0.00 C ATOM 713 C ILE A 47 3.945 5.248 5.126 1.00 0.00 C ATOM 714 O ILE A 47 4.212 6.287 4.555 1.00 0.00 O ATOM 715 CB ILE A 47 2.981 3.450 3.479 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.037 2.209 3.495 1.00 0.00 C ATOM 717 CG2 ILE A 47 4.376 2.976 3.405 1.00 0.00 C ATOM 718 CD1 ILE A 47 0.710 2.518 2.821 1.00 0.00 C ATOM 0 H ILE A 47 1.715 5.528 3.205 1.00 0.00 H new ATOM 0 HA ILE A 47 2.474 3.836 5.576 1.00 0.00 H new ATOM 0 HB ILE A 47 2.766 4.054 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.520 1.375 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.861 1.896 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.490 2.311 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.045 3.829 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.626 2.436 4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.074 1.634 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.217 3.336 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.887 2.806 1.785 1.00 0.00 H new ATOM 730 N PRO A 48 4.646 4.762 6.125 1.00 0.00 N ATOM 731 CA PRO A 48 5.727 3.749 6.054 1.00 0.00 C ATOM 732 C PRO A 48 5.121 2.401 6.474 1.00 0.00 C ATOM 733 O PRO A 48 3.956 2.309 6.823 1.00 0.00 O ATOM 734 CB PRO A 48 6.751 4.283 7.011 1.00 0.00 C ATOM 735 CG PRO A 48 5.819 4.605 8.203 1.00 0.00 C ATOM 736 CD PRO A 48 4.476 5.175 7.536 1.00 0.00 C ATOM 0 HA PRO A 48 6.177 3.584 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.517 3.549 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.266 5.164 6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.617 3.714 8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.271 5.339 8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.581 4.744 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.394 6.257 7.639 1.00 0.00 H new ATOM 744 N SER A 49 5.955 1.425 6.427 1.00 0.00 N ATOM 745 CA SER A 49 5.546 0.044 6.801 1.00 0.00 C ATOM 746 C SER A 49 6.573 -0.480 7.825 1.00 0.00 C ATOM 747 O SER A 49 7.447 0.260 8.230 1.00 0.00 O ATOM 748 CB SER A 49 5.522 -0.799 5.509 1.00 0.00 C ATOM 749 OG SER A 49 4.747 -0.062 4.566 1.00 0.00 O ATOM 0 H SER A 49 6.929 1.517 6.140 1.00 0.00 H new ATOM 0 HA SER A 49 4.556 -0.001 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.532 -0.967 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.082 -1.779 5.692 1.00 0.00 H new ATOM 0 HG SER A 49 3.840 -0.431 4.529 1.00 0.00 H new ATOM 755 N PRO A 50 6.441 -1.724 8.244 1.00 0.00 N ATOM 756 CA PRO A 50 7.372 -2.357 9.209 1.00 0.00 C ATOM 757 C PRO A 50 8.458 -3.302 8.657 1.00 0.00 C ATOM 758 O PRO A 50 9.505 -3.433 9.256 1.00 0.00 O ATOM 759 CB PRO A 50 6.422 -3.052 10.164 1.00 0.00 C ATOM 760 CG PRO A 50 5.170 -3.445 9.257 1.00 0.00 C ATOM 761 CD PRO A 50 5.353 -2.678 7.903 1.00 0.00 C ATOM 0 HA PRO A 50 8.018 -1.600 9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.882 -3.933 10.611 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.129 -2.395 10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.131 -4.522 9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.235 -3.163 9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.634 -3.346 7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.441 -2.166 7.595 1.00 0.00 H new ATOM 769 N VAL A 51 8.191 -3.974 7.567 1.00 0.00 N ATOM 770 CA VAL A 51 9.189 -4.897 7.012 1.00 0.00 C ATOM 771 C VAL A 51 9.317 -4.845 5.528 1.00 0.00 C ATOM 772 O VAL A 51 8.457 -4.399 4.795 1.00 0.00 O ATOM 773 CB VAL A 51 8.803 -6.310 7.500 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.251 -6.451 7.679 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.233 -7.393 6.578 1.00 0.00 C ATOM 0 H VAL A 51 7.317 -3.914 7.045 1.00 0.00 H new ATOM 0 HA VAL A 51 10.177 -4.602 7.365 1.00 0.00 H new ATOM 0 HB VAL A 51 9.323 -6.422 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.014 -7.458 8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.902 -5.725 8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.757 -6.268 6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.929 -8.358 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.768 -7.246 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.317 -7.370 6.470 1.00 0.00 H new ATOM 785 N LYS A 52 10.445 -5.398 5.208 1.00 0.00 N ATOM 786 CA LYS A 52 10.911 -5.519 3.828 1.00 0.00 C ATOM 787 C LYS A 52 10.931 -6.971 3.409 1.00 0.00 C ATOM 788 O LYS A 52 10.808 -7.884 4.205 1.00 0.00 O ATOM 789 CB LYS A 52 12.307 -4.932 3.724 1.00 0.00 C ATOM 790 CG LYS A 52 13.501 -5.768 4.297 1.00 0.00 C ATOM 791 CD LYS A 52 13.372 -6.092 5.810 1.00 0.00 C ATOM 792 CE LYS A 52 14.710 -6.717 6.276 1.00 0.00 C ATOM 793 NZ LYS A 52 15.822 -5.717 6.130 1.00 0.00 N ATOM 0 H LYS A 52 11.090 -5.789 5.895 1.00 0.00 H new ATOM 0 HA LYS A 52 10.234 -4.977 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.510 -4.738 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.302 -3.967 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.578 -6.702 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.429 -5.220 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.155 -5.187 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.547 -6.783 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.630 -7.035 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.930 -7.607 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.586 -5.947 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.191 -5.747 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.460 -4.763 6.334 1.00 0.00 H new ATOM 807 N GLY A 53 11.133 -7.084 2.142 1.00 0.00 N ATOM 808 CA GLY A 53 11.197 -8.385 1.445 1.00 0.00 C ATOM 809 C GLY A 53 11.110 -7.836 0.031 1.00 0.00 C ATOM 810 O GLY A 53 11.683 -6.789 -0.241 1.00 0.00 O ATOM 0 H GLY A 53 11.264 -6.282 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.120 -8.932 1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.372 -9.051 1.700 1.00 0.00 H new ATOM 814 N LYS A 54 10.411 -8.488 -0.833 1.00 0.00 N ATOM 815 CA LYS A 54 10.312 -7.968 -2.224 1.00 0.00 C ATOM 816 C LYS A 54 9.031 -7.160 -2.107 1.00 0.00 C ATOM 817 O LYS A 54 8.384 -7.044 -1.081 1.00 0.00 O ATOM 818 CB LYS A 54 10.150 -9.180 -3.207 1.00 0.00 C ATOM 819 CG LYS A 54 10.340 -8.952 -4.762 1.00 0.00 C ATOM 820 CD LYS A 54 11.768 -8.548 -5.198 1.00 0.00 C ATOM 821 CE LYS A 54 12.845 -9.349 -4.469 1.00 0.00 C ATOM 822 NZ LYS A 54 12.594 -10.817 -4.389 1.00 0.00 N ATOM 0 H LYS A 54 9.904 -9.353 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 54 11.163 -7.398 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.861 -9.947 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.152 -9.592 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.063 -9.868 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.645 -8.178 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.873 -8.696 -6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.917 -7.485 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.799 -9.186 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.945 -8.957 -3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.474 -11.095 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.731 -11.051 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.401 -11.330 -4.797 1.00 0.00 H new ATOM 836 N VAL A 55 8.712 -6.605 -3.215 1.00 0.00 N ATOM 837 CA VAL A 55 7.507 -5.784 -3.346 1.00 0.00 C ATOM 838 C VAL A 55 7.044 -6.576 -4.549 1.00 0.00 C ATOM 839 O VAL A 55 7.519 -6.347 -5.642 1.00 0.00 O ATOM 840 CB VAL A 55 7.847 -4.366 -3.680 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.472 -3.683 -3.696 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.641 -3.861 -2.477 1.00 0.00 C ATOM 0 H VAL A 55 9.259 -6.689 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 55 6.830 -5.660 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 55 8.404 -4.207 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.594 -2.626 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.841 -4.153 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.004 -3.784 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.930 -2.823 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.025 -3.928 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.535 -4.471 -2.349 1.00 0.00 H new ATOM 852 N LEU A 56 6.160 -7.499 -4.302 1.00 0.00 N ATOM 853 CA LEU A 56 5.633 -8.346 -5.408 1.00 0.00 C ATOM 854 C LEU A 56 4.976 -7.461 -6.475 1.00 0.00 C ATOM 855 O LEU A 56 5.641 -7.035 -7.398 1.00 0.00 O ATOM 856 CB LEU A 56 4.618 -9.361 -4.799 1.00 0.00 C ATOM 857 CG LEU A 56 5.260 -10.134 -3.592 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.214 -11.069 -2.965 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.478 -10.973 -4.031 1.00 0.00 C ATOM 0 H LEU A 56 5.778 -7.705 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 56 6.439 -8.896 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.725 -8.833 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.302 -10.070 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 56 5.597 -9.393 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.661 -11.605 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.367 -10.482 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.871 -11.785 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.893 -11.492 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.167 -11.703 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.236 -10.317 -4.459 1.00 0.00 H new ATOM 871 N GLU A 57 3.711 -7.188 -6.324 1.00 0.00 N ATOM 872 CA GLU A 57 3.007 -6.341 -7.319 1.00 0.00 C ATOM 873 C GLU A 57 2.066 -5.388 -6.589 1.00 0.00 C ATOM 874 O GLU A 57 1.785 -5.561 -5.417 1.00 0.00 O ATOM 875 CB GLU A 57 2.190 -7.237 -8.266 1.00 0.00 C ATOM 876 CG GLU A 57 3.065 -8.357 -8.864 1.00 0.00 C ATOM 877 CD GLU A 57 2.155 -9.224 -9.729 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.324 -9.876 -9.115 1.00 0.00 O ATOM 879 OE2 GLU A 57 2.342 -9.174 -10.928 1.00 0.00 O ATOM 0 H GLU A 57 3.134 -7.518 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 57 3.735 -5.770 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.353 -7.676 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.768 -6.633 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.876 -7.936 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.525 -8.950 -8.074 1.00 0.00 H new ATOM 886 N ILE A 58 1.616 -4.420 -7.326 1.00 0.00 N ATOM 887 CA ILE A 58 0.678 -3.381 -6.846 1.00 0.00 C ATOM 888 C ILE A 58 -0.335 -3.609 -7.968 1.00 0.00 C ATOM 889 O ILE A 58 0.068 -3.716 -9.114 1.00 0.00 O ATOM 890 CB ILE A 58 1.299 -1.945 -6.932 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.426 -1.691 -5.878 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.201 -0.884 -6.698 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.760 -2.345 -6.264 1.00 0.00 C ATOM 0 H ILE A 58 1.880 -4.303 -8.304 1.00 0.00 H new ATOM 0 HA ILE A 58 0.337 -3.442 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 58 1.736 -1.869 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.573 -0.617 -5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.105 -2.075 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.639 0.112 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.573 -0.987 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.239 -1.027 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.504 -2.135 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.625 -3.423 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.100 -1.942 -7.218 1.00 0.00 H new ATOM 905 N LEU A 59 -1.588 -3.677 -7.640 1.00 0.00 N ATOM 906 CA LEU A 59 -2.606 -3.908 -8.700 1.00 0.00 C ATOM 907 C LEU A 59 -3.206 -2.606 -9.217 1.00 0.00 C ATOM 908 O LEU A 59 -3.161 -2.309 -10.391 1.00 0.00 O ATOM 909 CB LEU A 59 -3.722 -4.795 -8.121 1.00 0.00 C ATOM 910 CG LEU A 59 -3.197 -6.220 -7.755 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.522 -6.238 -6.355 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.396 -7.194 -7.712 1.00 0.00 C ATOM 0 H LEU A 59 -1.953 -3.584 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.117 -4.395 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.139 -4.321 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.532 -4.881 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.464 -6.513 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.169 -7.245 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.678 -5.548 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.245 -5.933 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.044 -8.194 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.110 -6.859 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.881 -7.218 -8.688 1.00 0.00 H new ATOM 924 N VAL A 60 -3.760 -1.861 -8.313 1.00 0.00 N ATOM 925 CA VAL A 60 -4.392 -0.564 -8.663 1.00 0.00 C ATOM 926 C VAL A 60 -3.452 0.421 -7.958 1.00 0.00 C ATOM 927 O VAL A 60 -3.647 0.656 -6.786 1.00 0.00 O ATOM 928 CB VAL A 60 -5.838 -0.547 -8.074 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.579 0.701 -8.574 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.627 -1.817 -8.501 1.00 0.00 C ATOM 0 H VAL A 60 -3.803 -2.100 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.504 -0.346 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.767 -0.531 -6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.589 0.714 -8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.045 1.595 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.630 0.682 -9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.631 -1.781 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.693 -1.856 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.111 -2.705 -8.136 1.00 0.00 H new ATOM 940 N PRO A 61 -2.456 0.967 -8.617 1.00 0.00 N ATOM 941 CA PRO A 61 -1.432 1.770 -7.905 1.00 0.00 C ATOM 942 C PRO A 61 -2.041 3.107 -7.468 1.00 0.00 C ATOM 943 O PRO A 61 -2.439 3.259 -6.334 1.00 0.00 O ATOM 944 CB PRO A 61 -0.265 1.897 -8.933 1.00 0.00 C ATOM 945 CG PRO A 61 -0.624 0.867 -10.064 1.00 0.00 C ATOM 946 CD PRO A 61 -2.169 0.868 -10.077 1.00 0.00 C ATOM 0 HA PRO A 61 -1.064 1.324 -6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.192 2.910 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.696 1.664 -8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.214 1.170 -11.028 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.225 -0.124 -9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.578 1.709 -10.637 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.580 -0.040 -10.519 1.00 0.00 H new ATOM 954 N GLU A 62 -2.097 4.027 -8.375 1.00 0.00 N ATOM 955 CA GLU A 62 -2.652 5.385 -8.136 1.00 0.00 C ATOM 956 C GLU A 62 -3.494 5.693 -9.360 1.00 0.00 C ATOM 957 O GLU A 62 -3.379 5.026 -10.374 1.00 0.00 O ATOM 958 CB GLU A 62 -1.452 6.348 -7.974 1.00 0.00 C ATOM 959 CG GLU A 62 -0.316 6.010 -9.008 1.00 0.00 C ATOM 960 CD GLU A 62 1.046 6.538 -8.573 1.00 0.00 C ATOM 961 OE1 GLU A 62 1.099 7.378 -7.698 1.00 0.00 O ATOM 962 OE2 GLU A 62 1.988 6.049 -9.155 1.00 0.00 O ATOM 0 H GLU A 62 -1.762 3.887 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.268 5.476 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.784 7.376 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.059 6.278 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.258 4.929 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.574 6.435 -9.978 1.00 0.00 H new ATOM 969 N GLY A 63 -4.326 6.679 -9.243 1.00 0.00 N ATOM 970 CA GLY A 63 -5.196 7.066 -10.401 1.00 0.00 C ATOM 971 C GLY A 63 -6.610 6.516 -10.296 1.00 0.00 C ATOM 972 O GLY A 63 -7.571 7.240 -10.458 1.00 0.00 O ATOM 0 H GLY A 63 -4.449 7.240 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.240 8.153 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.741 6.708 -11.325 1.00 0.00 H new ATOM 976 N THR A 64 -6.717 5.248 -10.031 1.00 0.00 N ATOM 977 CA THR A 64 -8.073 4.639 -9.916 1.00 0.00 C ATOM 978 C THR A 64 -8.401 4.641 -8.402 1.00 0.00 C ATOM 979 O THR A 64 -7.667 5.208 -7.612 1.00 0.00 O ATOM 980 CB THR A 64 -7.994 3.209 -10.492 1.00 0.00 C ATOM 981 OG1 THR A 64 -6.990 3.238 -11.505 1.00 0.00 O ATOM 982 CG2 THR A 64 -9.229 2.832 -11.325 1.00 0.00 C ATOM 0 H THR A 64 -5.935 4.609 -9.890 1.00 0.00 H new ATOM 0 HA THR A 64 -8.849 5.175 -10.462 1.00 0.00 H new ATOM 0 HB THR A 64 -7.849 2.535 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.900 2.347 -11.902 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.116 1.816 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.121 2.890 -10.701 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.327 3.522 -12.163 1.00 0.00 H new ATOM 990 N VAL A 65 -9.482 4.009 -8.043 1.00 0.00 N ATOM 991 CA VAL A 65 -9.906 3.945 -6.618 1.00 0.00 C ATOM 992 C VAL A 65 -9.807 2.471 -6.237 1.00 0.00 C ATOM 993 O VAL A 65 -10.072 1.616 -7.061 1.00 0.00 O ATOM 994 CB VAL A 65 -11.366 4.440 -6.515 1.00 0.00 C ATOM 995 CG1 VAL A 65 -11.844 4.488 -5.046 1.00 0.00 C ATOM 996 CG2 VAL A 65 -11.509 5.840 -7.165 1.00 0.00 C ATOM 0 H VAL A 65 -10.102 3.524 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.295 4.563 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.995 3.730 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.875 4.840 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.786 3.490 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.208 5.168 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.543 6.175 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.858 6.548 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.227 5.784 -8.216 1.00 0.00 H new ATOM 1006 N ALA A 66 -9.431 2.222 -5.018 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.296 0.843 -4.499 1.00 0.00 C ATOM 1008 C ALA A 66 -10.136 0.815 -3.242 1.00 0.00 C ATOM 1009 O ALA A 66 -10.224 1.828 -2.570 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.844 0.637 -4.208 1.00 0.00 C ATOM 0 H ALA A 66 -9.204 2.947 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.624 0.059 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.690 -0.370 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.268 0.766 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.515 1.365 -3.467 1.00 0.00 H new ATOM 1016 N THR A 67 -10.708 -0.310 -2.957 1.00 0.00 N ATOM 1017 CA THR A 67 -11.547 -0.444 -1.755 1.00 0.00 C ATOM 1018 C THR A 67 -10.778 -1.264 -0.720 1.00 0.00 C ATOM 1019 O THR A 67 -9.569 -1.408 -0.736 1.00 0.00 O ATOM 1020 CB THR A 67 -12.868 -1.115 -2.241 1.00 0.00 C ATOM 1021 OG1 THR A 67 -12.485 -2.160 -3.129 1.00 0.00 O ATOM 1022 CG2 THR A 67 -13.667 -0.187 -3.140 1.00 0.00 C ATOM 0 H THR A 67 -10.626 -1.157 -3.519 1.00 0.00 H new ATOM 0 HA THR A 67 -11.791 0.501 -1.269 1.00 0.00 H new ATOM 0 HB THR A 67 -13.441 -1.413 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.286 -2.616 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.581 -0.688 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.923 0.720 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.071 0.074 -4.015 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.572 -1.762 0.156 1.00 0.00 N ATOM 1031 CA VAL A 68 -11.171 -2.627 1.272 1.00 0.00 C ATOM 1032 C VAL A 68 -11.967 -3.822 0.694 1.00 0.00 C ATOM 1033 O VAL A 68 -12.913 -3.670 -0.068 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.815 -2.263 2.552 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.609 -3.363 3.613 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -11.105 -1.089 2.987 1.00 0.00 C ATOM 0 H VAL A 68 -12.576 -1.585 0.138 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.108 -2.682 1.505 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.888 -2.118 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.094 -3.067 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.045 -4.297 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.543 -3.504 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.517 -0.745 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.049 -1.329 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.210 -0.303 2.240 1.00 0.00 H new ATOM 1046 N GLY A 69 -11.573 -5.004 1.053 1.00 0.00 N ATOM 1047 CA GLY A 69 -12.300 -6.193 0.526 1.00 0.00 C ATOM 1048 C GLY A 69 -11.412 -6.632 -0.644 1.00 0.00 C ATOM 1049 O GLY A 69 -11.241 -7.801 -0.912 1.00 0.00 O ATOM 0 H GLY A 69 -10.792 -5.203 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.397 -6.976 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.308 -5.940 0.198 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.879 -5.639 -1.301 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.981 -5.808 -2.467 1.00 0.00 C ATOM 1055 C GLN A 70 -8.613 -5.511 -1.869 1.00 0.00 C ATOM 1056 O GLN A 70 -8.506 -4.950 -0.791 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.351 -4.757 -3.512 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.698 -5.045 -4.874 1.00 0.00 C ATOM 1059 CD GLN A 70 -10.302 -4.071 -5.881 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -11.460 -4.174 -6.217 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -9.584 -3.117 -6.388 1.00 0.00 N ATOM 0 H GLN A 70 -11.044 -4.663 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.030 -6.783 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.434 -4.727 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.041 -3.773 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.617 -4.917 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.882 -6.075 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.606 -3.015 -6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.997 -2.469 -7.058 1.00 0.00 H new ATOM 1070 N THR A 71 -7.611 -5.895 -2.591 1.00 0.00 N ATOM 1071 CA THR A 71 -6.237 -5.659 -2.121 1.00 0.00 C ATOM 1072 C THR A 71 -5.809 -4.392 -2.874 1.00 0.00 C ATOM 1073 O THR A 71 -6.549 -3.807 -3.646 1.00 0.00 O ATOM 1074 CB THR A 71 -5.355 -6.823 -2.532 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.166 -7.987 -2.437 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.230 -7.121 -1.516 1.00 0.00 C ATOM 0 H THR A 71 -7.688 -6.365 -3.493 1.00 0.00 H new ATOM 0 HA THR A 71 -6.163 -5.557 -1.038 1.00 0.00 H new ATOM 0 HB THR A 71 -4.939 -6.583 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.641 -8.773 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.635 -7.964 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.591 -6.244 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.669 -7.366 -0.549 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.588 -4.036 -2.618 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.962 -2.833 -3.235 1.00 0.00 C ATOM 1086 C LEU A 72 -2.542 -3.266 -3.593 1.00 0.00 C ATOM 1087 O LEU A 72 -2.193 -3.457 -4.743 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.979 -1.672 -2.186 1.00 0.00 C ATOM 1089 CG LEU A 72 -3.267 -0.403 -2.745 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -4.139 0.238 -3.842 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -3.103 0.633 -1.609 1.00 0.00 C ATOM 0 H LEU A 72 -3.973 -4.546 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.482 -2.469 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.009 -1.430 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.485 -1.997 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.296 -0.691 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.640 1.125 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.291 -0.477 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.104 0.520 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.605 1.522 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.084 0.906 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.504 0.202 -0.807 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.773 -3.410 -2.552 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.351 -3.827 -2.652 1.00 0.00 C ATOM 1105 C ILE A 73 -0.185 -4.925 -1.609 1.00 0.00 C ATOM 1106 O ILE A 73 -0.997 -5.013 -0.701 1.00 0.00 O ATOM 1107 CB ILE A 73 0.549 -2.587 -2.334 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.056 -3.006 -2.299 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.113 -1.972 -0.949 1.00 0.00 C ATOM 1110 CD1 ILE A 73 2.958 -1.763 -2.183 1.00 0.00 C ATOM 0 H ILE A 73 -2.089 -3.248 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.068 -4.191 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 73 0.424 -1.837 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.235 -3.673 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.306 -3.561 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.737 -1.107 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.931 -1.663 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.231 -2.720 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.003 -2.073 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.791 -1.111 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.719 -1.224 -1.266 1.00 0.00 H new ATOM 1122 N THR A 74 0.836 -5.704 -1.794 1.00 0.00 N ATOM 1123 CA THR A 74 1.126 -6.804 -0.846 1.00 0.00 C ATOM 1124 C THR A 74 2.643 -6.802 -0.628 1.00 0.00 C ATOM 1125 O THR A 74 3.385 -6.212 -1.395 1.00 0.00 O ATOM 1126 CB THR A 74 0.618 -8.151 -1.456 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.118 -9.157 -0.585 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.247 -8.528 -2.794 1.00 0.00 C ATOM 0 H THR A 74 1.490 -5.624 -2.572 1.00 0.00 H new ATOM 0 HA THR A 74 0.620 -6.677 0.111 1.00 0.00 H new ATOM 0 HB THR A 74 -0.461 -8.059 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.639 -9.118 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.832 -9.476 -3.137 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.033 -7.752 -3.528 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.326 -8.626 -2.674 1.00 0.00 H new ATOM 1136 N LEU A 75 3.017 -7.481 0.416 1.00 0.00 N ATOM 1137 CA LEU A 75 4.450 -7.629 0.846 1.00 0.00 C ATOM 1138 C LEU A 75 4.755 -9.086 1.264 1.00 0.00 C ATOM 1139 O LEU A 75 3.852 -9.815 1.657 1.00 0.00 O ATOM 1140 CB LEU A 75 4.651 -6.658 2.001 1.00 0.00 C ATOM 1141 CG LEU A 75 5.910 -5.751 1.875 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.735 -4.514 2.781 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.196 -6.491 2.312 1.00 0.00 C ATOM 0 H LEU A 75 2.359 -7.967 1.025 1.00 0.00 H new ATOM 0 HA LEU A 75 5.136 -7.403 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.769 -6.023 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.721 -7.227 2.928 1.00 0.00 H new ATOM 0 HG LEU A 75 6.010 -5.465 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.614 -3.874 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.850 -3.958 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.617 -4.835 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.052 -5.824 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.101 -6.802 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.342 -7.369 1.683 1.00 0.00 H new ATOM 1155 N ASP A 76 6.014 -9.441 1.172 1.00 0.00 N ATOM 1156 CA ASP A 76 6.511 -10.804 1.538 1.00 0.00 C ATOM 1157 C ASP A 76 7.527 -10.548 2.653 1.00 0.00 C ATOM 1158 O ASP A 76 8.197 -9.537 2.632 1.00 0.00 O ATOM 1159 CB ASP A 76 7.167 -11.465 0.261 1.00 0.00 C ATOM 1160 CG ASP A 76 8.649 -11.193 -0.034 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.489 -11.389 0.812 1.00 0.00 O ATOM 1162 OD2 ASP A 76 8.897 -10.789 -1.154 1.00 0.00 O ATOM 0 H ASP A 76 6.747 -8.813 0.844 1.00 0.00 H new ATOM 0 HA ASP A 76 5.734 -11.490 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.040 -12.544 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.593 -11.144 -0.608 1.00 0.00 H new ATOM 1167 N ALA A 77 7.591 -11.444 3.602 1.00 0.00 N ATOM 1168 CA ALA A 77 8.543 -11.297 4.741 1.00 0.00 C ATOM 1169 C ALA A 77 9.051 -12.713 5.097 1.00 0.00 C ATOM 1170 O ALA A 77 8.478 -13.309 5.978 1.00 0.00 O ATOM 1171 CB ALA A 77 7.808 -10.669 5.954 1.00 0.00 C ATOM 0 H ALA A 77 7.014 -12.285 3.636 1.00 0.00 H new ATOM 0 HA ALA A 77 9.377 -10.648 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.504 -10.562 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.420 -9.689 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.982 -11.314 6.253 1.00 0.00 H new ATOM 1177 N PRO A 78 10.053 -13.241 4.437 1.00 0.00 N ATOM 1178 CA PRO A 78 10.475 -14.685 4.525 1.00 0.00 C ATOM 1179 C PRO A 78 10.948 -15.242 5.895 1.00 0.00 C ATOM 1180 O PRO A 78 12.022 -15.805 5.992 1.00 0.00 O ATOM 1181 CB PRO A 78 11.563 -14.796 3.438 1.00 0.00 C ATOM 1182 CG PRO A 78 12.186 -13.375 3.464 1.00 0.00 C ATOM 1183 CD PRO A 78 10.931 -12.487 3.503 1.00 0.00 C ATOM 0 HA PRO A 78 9.599 -15.318 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.296 -15.568 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.143 -15.040 2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.823 -13.223 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.799 -13.180 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.151 -11.484 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.479 -12.375 2.518 1.00 0.00 H new ATOM 1191 N GLY A 79 10.153 -15.087 6.907 1.00 0.00 N ATOM 1192 CA GLY A 79 10.492 -15.580 8.270 1.00 0.00 C ATOM 1193 C GLY A 79 10.405 -14.380 9.214 1.00 0.00 C ATOM 1194 O GLY A 79 11.389 -13.969 9.799 1.00 0.00 O ATOM 0 H GLY A 79 9.247 -14.622 6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.801 -16.365 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.493 -16.012 8.286 1.00 0.00 H new ATOM 1198 N TYR A 80 9.203 -13.877 9.301 1.00 0.00 N ATOM 1199 CA TYR A 80 8.808 -12.708 10.148 1.00 0.00 C ATOM 1200 C TYR A 80 7.269 -12.845 10.226 1.00 0.00 C ATOM 1201 O TYR A 80 6.721 -13.324 9.240 1.00 0.00 O ATOM 1202 CB TYR A 80 9.128 -11.336 9.478 1.00 0.00 C ATOM 1203 CG TYR A 80 8.832 -10.122 10.416 1.00 0.00 C ATOM 1204 CD1 TYR A 80 8.653 -10.227 11.787 1.00 0.00 C ATOM 1205 CD2 TYR A 80 8.746 -8.862 9.865 1.00 0.00 C ATOM 1206 CE1 TYR A 80 8.401 -9.110 12.565 1.00 0.00 C ATOM 1207 CE2 TYR A 80 8.490 -7.745 10.639 1.00 0.00 C ATOM 1208 CZ TYR A 80 8.319 -7.861 11.994 1.00 0.00 C ATOM 1209 OH TYR A 80 8.070 -6.741 12.758 1.00 0.00 O ATOM 1210 OXT TYR A 80 6.730 -12.468 11.246 1.00 0.00 O ATOM 0 H TYR A 80 8.418 -14.262 8.776 1.00 0.00 H new ATOM 0 HA TYR A 80 9.338 -12.718 11.100 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.178 -11.316 9.185 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.540 -11.236 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.711 -11.198 12.256 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.882 -8.744 8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.267 -9.220 13.631 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.424 -6.773 10.172 1.00 0.00 H new ATOM 0 HH TYR A 80 8.049 -5.949 12.181 1.00 0.00 H new