USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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-H: A1148 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot 2:sc= -0.419 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.26! C(o=-3.7!,f=-12!) USER MOD Single : A 84 ASN : amide:sc= -0.102 K(o=-0.1,f=0.86) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00127 USER MOD Single : A 90 GLN : amide:sc= 0.0676 K(o=0.068,f=-0.68) USER MOD Single : A 91 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.41) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= 0.934 (180deg=0.214) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 1.22 (180deg=1.1) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.791 USER MOD Single : A 99 SER OG : rot 110:sc= -1.16! USER MOD Single : A 103 SER OG : rot 46:sc= 1.26 USER MOD Single : A 107 CYS SG : rot 112:sc= 1.24 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.114 USER MOD Single : A 119 LYS NZ :NH3+ -105:sc= -0.719 (180deg=-2.73!) USER MOD Single : A 122 THR OG1 : rot 167:sc= 0.748 USER MOD Single : A 123 CYS SG : rot -12:sc= -5.59! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0.917 K(o=0.92,f=-4.8!) USER MOD Single : A 137 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.24) USER MOD Single : A 139 SER OG : rot 144:sc= 0.853 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0.0849 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.392 (180deg=-4.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -9.060 8.438 15.444 1.00 0.00 N ATOM 2 CA ASN A 84 -8.546 7.087 15.240 1.00 0.00 C ATOM 3 C ASN A 84 -8.126 6.890 13.804 1.00 0.00 C ATOM 4 O ASN A 84 -6.939 6.798 13.503 1.00 0.00 O ATOM 5 CB ASN A 84 -9.573 6.016 15.644 1.00 0.00 C ATOM 6 CG ASN A 84 -9.897 6.021 17.126 1.00 0.00 C ATOM 7 OD1 ASN A 84 -9.842 7.065 17.792 1.00 0.00 O ATOM 8 ND2 ASN A 84 -10.234 4.874 17.650 1.00 0.00 N ATOM 0 HA ASN A 84 -7.675 6.971 15.885 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.492 6.172 15.078 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.191 5.034 15.366 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.464 4.814 18.642 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.267 4.037 17.068 1.00 0.00 H new ATOM 17 N THR A 85 -9.083 6.845 12.908 1.00 0.00 N ATOM 18 CA THR A 85 -8.804 6.673 11.516 1.00 0.00 C ATOM 19 C THR A 85 -9.746 7.556 10.710 1.00 0.00 C ATOM 20 O THR A 85 -10.904 7.199 10.482 1.00 0.00 O ATOM 21 CB THR A 85 -8.995 5.200 11.089 1.00 0.00 C ATOM 22 OG1 THR A 85 -8.274 4.338 11.992 1.00 0.00 O ATOM 23 CG2 THR A 85 -8.469 4.982 9.680 1.00 0.00 C ATOM 0 H THR A 85 -10.075 6.927 13.131 1.00 0.00 H new ATOM 0 HA THR A 85 -7.767 6.953 11.331 1.00 0.00 H new ATOM 0 HB THR A 85 -10.060 4.968 11.116 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.397 3.404 11.721 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.612 3.939 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.011 5.625 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.407 5.225 9.646 1.00 0.00 H new ATOM 31 N ALA A 86 -9.276 8.721 10.348 1.00 0.00 N ATOM 32 CA ALA A 86 -10.071 9.636 9.567 1.00 0.00 C ATOM 33 C ALA A 86 -9.830 9.402 8.088 1.00 0.00 C ATOM 34 O ALA A 86 -10.743 9.516 7.264 1.00 0.00 O ATOM 35 CB ALA A 86 -9.757 11.071 9.940 1.00 0.00 C ATOM 0 H ALA A 86 -8.343 9.061 10.582 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.124 9.455 9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.368 11.745 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.975 11.228 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.702 11.273 9.753 1.00 0.00 H new ATOM 41 N ALA A 87 -8.615 9.042 7.747 1.00 0.00 N ATOM 42 CA ALA A 87 -8.272 8.789 6.374 1.00 0.00 C ATOM 43 C ALA A 87 -8.477 7.331 6.028 1.00 0.00 C ATOM 44 O ALA A 87 -7.528 6.566 5.851 1.00 0.00 O ATOM 45 CB ALA A 87 -6.863 9.247 6.043 1.00 0.00 C ATOM 0 H ALA A 87 -7.847 8.918 8.407 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.946 9.381 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.648 9.036 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.777 10.319 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.150 8.716 6.674 1.00 0.00 H new ATOM 51 N SER A 88 -9.720 6.936 6.048 1.00 0.00 N ATOM 52 CA SER A 88 -10.131 5.617 5.662 1.00 0.00 C ATOM 53 C SER A 88 -11.072 5.714 4.484 1.00 0.00 C ATOM 54 O SER A 88 -11.566 4.720 3.966 1.00 0.00 O ATOM 55 CB SER A 88 -10.793 4.948 6.836 1.00 0.00 C ATOM 56 OG SER A 88 -11.736 5.831 7.429 1.00 0.00 O ATOM 0 H SER A 88 -10.491 7.536 6.340 1.00 0.00 H new ATOM 0 HA SER A 88 -9.270 5.019 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.292 4.035 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.042 4.657 7.571 1.00 0.00 H new ATOM 0 HG SER A 88 -12.164 5.388 8.191 1.00 0.00 H new ATOM 62 N LEU A 89 -11.243 6.936 4.020 1.00 0.00 N ATOM 63 CA LEU A 89 -12.110 7.253 2.889 1.00 0.00 C ATOM 64 C LEU A 89 -11.329 7.131 1.592 1.00 0.00 C ATOM 65 O LEU A 89 -11.746 7.606 0.530 1.00 0.00 O ATOM 66 CB LEU A 89 -12.728 8.665 3.077 1.00 0.00 C ATOM 67 CG LEU A 89 -11.790 9.820 3.535 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.743 10.192 2.488 1.00 0.00 C ATOM 69 CD2 LEU A 89 -12.608 11.039 3.922 1.00 0.00 C ATOM 0 H LEU A 89 -10.780 7.752 4.420 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.935 6.542 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.182 8.959 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.535 8.582 3.805 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.244 9.455 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.121 11.003 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.118 9.325 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.241 10.515 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.940 11.839 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.191 11.373 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.281 10.781 4.740 1.00 0.00 H new ATOM 81 N GLN A 90 -10.227 6.440 1.712 1.00 0.00 N ATOM 82 CA GLN A 90 -9.264 6.236 0.680 1.00 0.00 C ATOM 83 C GLN A 90 -9.875 5.407 -0.433 1.00 0.00 C ATOM 84 O GLN A 90 -10.453 4.339 -0.181 1.00 0.00 O ATOM 85 CB GLN A 90 -8.093 5.457 1.265 1.00 0.00 C ATOM 86 CG GLN A 90 -7.519 6.019 2.562 1.00 0.00 C ATOM 87 CD GLN A 90 -6.906 7.384 2.407 1.00 0.00 C ATOM 88 OE1 GLN A 90 -7.584 8.402 2.529 1.00 0.00 O ATOM 89 NE2 GLN A 90 -5.623 7.423 2.198 1.00 0.00 N ATOM 0 H GLN A 90 -9.969 5.981 2.586 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.938 7.199 0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.414 4.431 1.444 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.297 5.417 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.311 6.068 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.764 5.332 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.095 6.555 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.144 8.321 2.130 1.00 0.00 H new ATOM 98 N GLN A 91 -9.756 5.873 -1.631 1.00 0.00 N ATOM 99 CA GLN A 91 -10.251 5.150 -2.754 1.00 0.00 C ATOM 100 C GLN A 91 -9.126 4.958 -3.724 1.00 0.00 C ATOM 101 O GLN A 91 -8.612 5.909 -4.311 1.00 0.00 O ATOM 102 CB GLN A 91 -11.435 5.837 -3.420 1.00 0.00 C ATOM 103 CG GLN A 91 -12.138 4.955 -4.449 1.00 0.00 C ATOM 104 CD GLN A 91 -12.632 3.662 -3.818 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.746 3.604 -3.298 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.830 2.614 -3.879 1.00 0.00 N ATOM 0 H GLN A 91 -9.314 6.764 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.624 4.185 -2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.152 6.135 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.091 6.750 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.979 5.496 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.452 4.726 -5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.913 2.698 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.128 1.720 -3.488 1.00 0.00 H new ATOM 115 N TRP A 92 -8.712 3.752 -3.847 1.00 0.00 N ATOM 116 CA TRP A 92 -7.606 3.415 -4.676 1.00 0.00 C ATOM 117 C TRP A 92 -8.063 2.595 -5.841 1.00 0.00 C ATOM 118 O TRP A 92 -9.177 2.044 -5.819 1.00 0.00 O ATOM 119 CB TRP A 92 -6.619 2.608 -3.868 1.00 0.00 C ATOM 120 CG TRP A 92 -6.127 3.307 -2.650 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.588 3.165 -1.382 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.075 4.261 -2.594 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.881 3.969 -0.536 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.943 4.657 -1.257 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.229 4.813 -3.549 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.996 5.584 -0.847 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.291 5.723 -3.150 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.178 6.104 -1.807 1.00 0.00 C ATOM 0 H TRP A 92 -9.135 2.956 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.142 4.330 -5.043 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.087 1.669 -3.573 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.767 2.355 -4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.396 2.512 -1.086 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.028 4.045 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.312 4.528 -4.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.910 5.881 0.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.626 6.156 -3.882 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.426 6.826 -1.525 1.00 0.00 H new ATOM 139 N LYS A 93 -7.247 2.544 -6.851 1.00 0.00 N ATOM 140 CA LYS A 93 -7.470 1.692 -7.986 1.00 0.00 C ATOM 141 C LYS A 93 -6.165 0.949 -8.239 1.00 0.00 C ATOM 142 O LYS A 93 -5.105 1.363 -7.725 1.00 0.00 O ATOM 143 CB LYS A 93 -7.863 2.519 -9.226 1.00 0.00 C ATOM 144 CG LYS A 93 -6.703 3.269 -9.875 1.00 0.00 C ATOM 145 CD LYS A 93 -7.170 4.293 -10.884 1.00 0.00 C ATOM 146 CE LYS A 93 -7.875 5.458 -10.200 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.989 6.173 -9.259 1.00 0.00 N ATOM 0 H LYS A 93 -6.394 3.100 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.288 0.999 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.309 1.854 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.631 3.238 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.118 3.766 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.042 2.555 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.317 4.664 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.847 3.823 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.237 6.155 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.748 5.087 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.436 7.067 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.827 5.583 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.080 6.373 -9.722 1.00 0.00 H new ATOM 161 N VAL A 94 -6.223 -0.134 -8.963 1.00 0.00 N ATOM 162 CA VAL A 94 -5.026 -0.863 -9.322 1.00 0.00 C ATOM 163 C VAL A 94 -4.158 0.037 -10.205 1.00 0.00 C ATOM 164 O VAL A 94 -4.643 0.590 -11.202 1.00 0.00 O ATOM 165 CB VAL A 94 -5.385 -2.165 -10.084 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.135 -2.885 -10.546 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.217 -3.078 -9.199 1.00 0.00 C ATOM 0 H VAL A 94 -7.089 -0.538 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.484 -1.141 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.968 -1.894 -10.964 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.415 -3.795 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.566 -2.236 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.523 -3.143 -9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.463 -3.989 -9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.649 -3.333 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.136 -2.568 -8.912 1.00 0.00 H new ATOM 177 N GLY A 95 -2.903 0.194 -9.842 1.00 0.00 N ATOM 178 CA GLY A 95 -2.035 1.055 -10.591 1.00 0.00 C ATOM 179 C GLY A 95 -1.876 2.431 -9.968 1.00 0.00 C ATOM 180 O GLY A 95 -1.383 3.359 -10.622 1.00 0.00 O ATOM 0 H GLY A 95 -2.471 -0.262 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.055 0.586 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.426 1.164 -11.603 1.00 0.00 H new ATOM 184 N ASP A 96 -2.290 2.584 -8.726 1.00 0.00 N ATOM 185 CA ASP A 96 -2.093 3.855 -8.019 1.00 0.00 C ATOM 186 C ASP A 96 -0.866 3.762 -7.181 1.00 0.00 C ATOM 187 O ASP A 96 -0.564 2.693 -6.629 1.00 0.00 O ATOM 188 CB ASP A 96 -3.277 4.272 -7.101 1.00 0.00 C ATOM 189 CG ASP A 96 -4.450 4.925 -7.794 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.244 5.752 -8.711 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.618 4.690 -7.388 1.00 0.00 O ATOM 0 H ASP A 96 -2.760 1.860 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.011 4.617 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.636 3.385 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.900 4.958 -6.343 1.00 0.00 H new ATOM 196 N LYS A 97 -0.136 4.831 -7.108 1.00 0.00 N ATOM 197 CA LYS A 97 1.011 4.889 -6.268 1.00 0.00 C ATOM 198 C LYS A 97 0.573 5.326 -4.899 1.00 0.00 C ATOM 199 O LYS A 97 -0.314 6.179 -4.768 1.00 0.00 O ATOM 200 CB LYS A 97 2.052 5.849 -6.808 1.00 0.00 C ATOM 201 CG LYS A 97 2.447 5.578 -8.248 1.00 0.00 C ATOM 202 CD LYS A 97 3.828 6.119 -8.545 1.00 0.00 C ATOM 203 CE LYS A 97 3.943 7.609 -8.269 1.00 0.00 C ATOM 204 NZ LYS A 97 5.309 8.111 -8.518 1.00 0.00 N ATOM 0 H LYS A 97 -0.322 5.687 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 97 1.470 3.901 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.669 6.866 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.942 5.796 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.425 4.505 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.721 6.036 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.561 5.584 -7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.073 5.927 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.237 8.150 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.666 7.809 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.269 9.123 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.889 7.976 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.732 7.588 -9.311 1.00 0.00 H new ATOM 218 N CYS A 98 1.158 4.756 -3.903 1.00 0.00 N ATOM 219 CA CYS A 98 0.800 5.047 -2.542 1.00 0.00 C ATOM 220 C CYS A 98 1.996 4.808 -1.635 1.00 0.00 C ATOM 221 O CYS A 98 3.125 4.616 -2.110 1.00 0.00 O ATOM 222 CB CYS A 98 -0.379 4.148 -2.133 1.00 0.00 C ATOM 223 SG CYS A 98 -0.039 2.393 -2.266 1.00 0.00 S ATOM 0 H CYS A 98 1.905 4.068 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 98 0.502 6.091 -2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.657 4.377 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.240 4.389 -2.757 1.00 0.00 H new ATOM 0 HG CYS A 98 1.078 2.215 -2.907 1.00 0.00 H new ATOM 229 N SER A 99 1.768 4.848 -0.370 1.00 0.00 N ATOM 230 CA SER A 99 2.765 4.518 0.584 1.00 0.00 C ATOM 231 C SER A 99 2.171 3.487 1.489 1.00 0.00 C ATOM 232 O SER A 99 0.963 3.546 1.805 1.00 0.00 O ATOM 233 CB SER A 99 3.199 5.711 1.397 1.00 0.00 C ATOM 234 OG SER A 99 3.468 6.838 0.578 1.00 0.00 O ATOM 0 H SER A 99 0.871 5.115 0.036 1.00 0.00 H new ATOM 0 HA SER A 99 3.653 4.153 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.420 5.963 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.091 5.456 1.969 1.00 0.00 H new ATOM 0 HG SER A 99 2.772 7.514 0.713 1.00 0.00 H new ATOM 240 N ALA A 100 2.966 2.574 1.898 1.00 0.00 N ATOM 241 CA ALA A 100 2.516 1.483 2.689 1.00 0.00 C ATOM 242 C ALA A 100 3.472 1.246 3.834 1.00 0.00 C ATOM 243 O ALA A 100 4.614 1.718 3.803 1.00 0.00 O ATOM 244 CB ALA A 100 2.388 0.259 1.814 1.00 0.00 C ATOM 0 H ALA A 100 3.965 2.558 1.692 1.00 0.00 H new ATOM 0 HA ALA A 100 1.539 1.708 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.043 -0.583 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.670 0.455 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.358 0.020 1.378 1.00 0.00 H new ATOM 250 N ILE A 101 2.999 0.563 4.844 1.00 0.00 N ATOM 251 CA ILE A 101 3.801 0.247 6.009 1.00 0.00 C ATOM 252 C ILE A 101 4.445 -1.106 5.789 1.00 0.00 C ATOM 253 O ILE A 101 3.738 -2.110 5.670 1.00 0.00 O ATOM 254 CB ILE A 101 2.923 0.191 7.313 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.474 1.587 7.750 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.652 -0.513 8.466 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.593 2.431 8.330 1.00 0.00 C ATOM 0 H ILE A 101 2.044 0.207 4.887 1.00 0.00 H new ATOM 0 HA ILE A 101 4.553 1.025 6.141 1.00 0.00 H new ATOM 0 HB ILE A 101 2.038 -0.395 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.045 2.106 6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.682 1.489 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.010 -0.529 9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.893 -1.535 8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.571 0.025 8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.201 3.407 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.007 1.933 9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.376 2.560 7.583 1.00 0.00 H new ATOM 269 N TRP A 102 5.760 -1.129 5.725 1.00 0.00 N ATOM 270 CA TRP A 102 6.500 -2.362 5.508 1.00 0.00 C ATOM 271 C TRP A 102 6.302 -3.287 6.670 1.00 0.00 C ATOM 272 O TRP A 102 6.546 -2.916 7.788 1.00 0.00 O ATOM 273 CB TRP A 102 7.989 -2.081 5.337 1.00 0.00 C ATOM 274 CG TRP A 102 8.771 -3.254 4.806 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.293 -4.277 4.041 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.168 -3.500 4.952 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.282 -5.146 3.731 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.452 -4.692 4.257 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.208 -2.838 5.596 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.725 -5.228 4.194 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.474 -3.375 5.529 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.720 -4.560 4.832 1.00 0.00 C ATOM 0 H TRP A 102 6.347 -0.300 5.821 1.00 0.00 H new ATOM 0 HA TRP A 102 6.124 -2.827 4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.115 -1.236 4.660 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.406 -1.783 6.299 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.265 -4.379 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.169 -6.003 3.190 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.026 -1.921 6.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.921 -6.144 3.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.291 -2.871 6.024 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.725 -4.954 4.800 1.00 0.00 H new ATOM 293 N SER A 103 5.892 -4.482 6.396 1.00 0.00 N ATOM 294 CA SER A 103 5.656 -5.491 7.399 1.00 0.00 C ATOM 295 C SER A 103 6.884 -5.801 8.241 1.00 0.00 C ATOM 296 O SER A 103 6.779 -6.165 9.407 1.00 0.00 O ATOM 297 CB SER A 103 5.187 -6.736 6.701 1.00 0.00 C ATOM 298 OG SER A 103 3.870 -6.565 6.198 1.00 0.00 O ATOM 0 H SER A 103 5.704 -4.801 5.445 1.00 0.00 H new ATOM 0 HA SER A 103 4.904 -5.111 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.865 -6.977 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.211 -7.578 7.393 1.00 0.00 H new ATOM 0 HG SER A 103 3.805 -5.702 5.739 1.00 0.00 H new ATOM 304 N GLU A 104 8.015 -5.618 7.674 1.00 0.00 N ATOM 305 CA GLU A 104 9.230 -6.003 8.331 1.00 0.00 C ATOM 306 C GLU A 104 9.742 -4.919 9.267 1.00 0.00 C ATOM 307 O GLU A 104 10.163 -5.200 10.387 1.00 0.00 O ATOM 308 CB GLU A 104 10.265 -6.358 7.303 1.00 0.00 C ATOM 309 CG GLU A 104 9.773 -7.379 6.292 1.00 0.00 C ATOM 310 CD GLU A 104 9.403 -8.708 6.898 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.292 -9.577 7.034 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.217 -8.927 7.211 1.00 0.00 O ATOM 0 H GLU A 104 8.138 -5.202 6.751 1.00 0.00 H new ATOM 0 HA GLU A 104 9.021 -6.876 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.572 -5.454 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.149 -6.750 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.905 -6.973 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.548 -7.536 5.542 1.00 0.00 H new ATOM 319 N ASP A 105 9.676 -3.679 8.830 1.00 0.00 N ATOM 320 CA ASP A 105 10.247 -2.592 9.635 1.00 0.00 C ATOM 321 C ASP A 105 9.171 -1.706 10.223 1.00 0.00 C ATOM 322 O ASP A 105 9.397 -0.977 11.187 1.00 0.00 O ATOM 323 CB ASP A 105 11.190 -1.767 8.777 1.00 0.00 C ATOM 324 CG ASP A 105 11.976 -0.746 9.554 1.00 0.00 C ATOM 325 OD1 ASP A 105 12.513 -1.069 10.633 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.112 0.376 9.080 1.00 0.00 O ATOM 0 H ASP A 105 9.248 -3.392 7.950 1.00 0.00 H new ATOM 0 HA ASP A 105 10.796 -3.037 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.884 -2.436 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.613 -1.258 8.005 1.00 0.00 H new ATOM 331 N GLY A 106 7.994 -1.791 9.668 1.00 0.00 N ATOM 332 CA GLY A 106 6.876 -1.001 10.163 1.00 0.00 C ATOM 333 C GLY A 106 6.900 0.428 9.659 1.00 0.00 C ATOM 334 O GLY A 106 6.086 1.243 10.055 1.00 0.00 O ATOM 0 H GLY A 106 7.774 -2.394 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.941 -1.473 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.893 -0.998 11.253 1.00 0.00 H new ATOM 338 N CYS A 107 7.829 0.733 8.795 1.00 0.00 N ATOM 339 CA CYS A 107 7.955 2.084 8.300 1.00 0.00 C ATOM 340 C CYS A 107 7.186 2.318 7.007 1.00 0.00 C ATOM 341 O CYS A 107 6.818 1.361 6.314 1.00 0.00 O ATOM 342 CB CYS A 107 9.411 2.445 8.143 1.00 0.00 C ATOM 343 SG CYS A 107 10.321 2.535 9.688 1.00 0.00 S ATOM 0 H CYS A 107 8.508 0.072 8.418 1.00 0.00 H new ATOM 0 HA CYS A 107 7.502 2.742 9.041 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.888 1.709 7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.482 3.408 7.637 1.00 0.00 H new ATOM 0 HG CYS A 107 11.191 1.570 9.736 1.00 0.00 H new ATOM 349 N ILE A 108 6.948 3.585 6.698 1.00 0.00 N ATOM 350 CA ILE A 108 6.306 4.001 5.461 1.00 0.00 C ATOM 351 C ILE A 108 7.298 3.912 4.316 1.00 0.00 C ATOM 352 O ILE A 108 8.429 4.401 4.419 1.00 0.00 O ATOM 353 CB ILE A 108 5.825 5.480 5.522 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.819 5.709 6.641 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.206 5.875 4.195 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.465 5.107 6.378 1.00 0.00 C ATOM 0 H ILE A 108 7.199 4.363 7.308 1.00 0.00 H new ATOM 0 HA ILE A 108 5.450 3.342 5.314 1.00 0.00 H new ATOM 0 HB ILE A 108 6.698 6.099 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.218 5.291 7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.704 6.781 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.871 6.911 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.947 5.770 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.354 5.228 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.805 5.313 7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.043 5.542 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.565 4.029 6.250 1.00 0.00 H new ATOM 368 N TYR A 109 6.888 3.288 3.258 1.00 0.00 N ATOM 369 CA TYR A 109 7.678 3.184 2.053 1.00 0.00 C ATOM 370 C TYR A 109 6.790 3.364 0.846 1.00 0.00 C ATOM 371 O TYR A 109 5.589 3.058 0.913 1.00 0.00 O ATOM 372 CB TYR A 109 8.385 1.840 1.980 1.00 0.00 C ATOM 373 CG TYR A 109 9.471 1.659 2.999 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.752 2.092 2.744 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.215 1.039 4.205 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.749 1.916 3.666 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.205 0.857 5.133 1.00 0.00 C ATOM 378 CZ TYR A 109 11.471 1.296 4.862 1.00 0.00 C ATOM 379 OH TYR A 109 12.463 1.132 5.798 1.00 0.00 O ATOM 0 H TYR A 109 5.981 2.826 3.197 1.00 0.00 H new ATOM 0 HA TYR A 109 8.436 3.967 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.648 1.047 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.813 1.721 0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.974 2.577 1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.216 0.691 4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.750 2.263 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.987 0.370 6.072 1.00 0.00 H new ATOM 0 HH TYR A 109 12.098 0.677 6.585 1.00 0.00 H new ATOM 389 N PRO A 110 7.341 3.883 -0.264 1.00 0.00 N ATOM 390 CA PRO A 110 6.586 4.084 -1.500 1.00 0.00 C ATOM 391 C PRO A 110 6.258 2.749 -2.165 1.00 0.00 C ATOM 392 O PRO A 110 7.144 1.910 -2.396 1.00 0.00 O ATOM 393 CB PRO A 110 7.546 4.894 -2.376 1.00 0.00 C ATOM 394 CG PRO A 110 8.899 4.513 -1.886 1.00 0.00 C ATOM 395 CD PRO A 110 8.757 4.299 -0.410 1.00 0.00 C ATOM 0 HA PRO A 110 5.630 4.581 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.422 4.652 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.372 5.965 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.252 3.608 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.626 5.297 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.442 3.533 -0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.970 5.209 0.151 1.00 0.00 H new ATOM 403 N ALA A 111 5.014 2.547 -2.468 1.00 0.00 N ATOM 404 CA ALA A 111 4.585 1.326 -3.059 1.00 0.00 C ATOM 405 C ALA A 111 3.450 1.571 -4.010 1.00 0.00 C ATOM 406 O ALA A 111 2.681 2.499 -3.840 1.00 0.00 O ATOM 407 CB ALA A 111 4.178 0.340 -1.991 1.00 0.00 C ATOM 0 H ALA A 111 4.270 3.226 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 111 5.417 0.903 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.852 -0.589 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.028 0.139 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.360 0.757 -1.404 1.00 0.00 H new ATOM 413 N THR A 112 3.338 0.760 -5.001 1.00 0.00 N ATOM 414 CA THR A 112 2.287 0.922 -5.961 1.00 0.00 C ATOM 415 C THR A 112 1.325 -0.238 -5.816 1.00 0.00 C ATOM 416 O THR A 112 1.729 -1.340 -5.468 1.00 0.00 O ATOM 417 CB THR A 112 2.902 0.935 -7.362 1.00 0.00 C ATOM 418 OG1 THR A 112 4.088 1.735 -7.302 1.00 0.00 O ATOM 419 CG2 THR A 112 1.947 1.563 -8.358 1.00 0.00 C ATOM 0 H THR A 112 3.961 -0.029 -5.175 1.00 0.00 H new ATOM 0 HA THR A 112 1.750 1.857 -5.800 1.00 0.00 H new ATOM 0 HB THR A 112 3.117 -0.085 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.509 1.763 -8.187 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.402 1.563 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.020 0.990 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.731 2.588 -8.058 1.00 0.00 H new ATOM 427 N ILE A 113 0.080 0.011 -6.068 1.00 0.00 N ATOM 428 CA ILE A 113 -0.936 -0.998 -5.933 1.00 0.00 C ATOM 429 C ILE A 113 -0.940 -1.919 -7.132 1.00 0.00 C ATOM 430 O ILE A 113 -1.126 -1.473 -8.269 1.00 0.00 O ATOM 431 CB ILE A 113 -2.308 -0.353 -5.777 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.278 0.603 -4.597 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.371 -1.422 -5.573 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.512 1.413 -4.458 1.00 0.00 C ATOM 0 H ILE A 113 -0.268 0.920 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.713 -1.584 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.556 0.202 -6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.123 0.032 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.424 1.272 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.347 -0.949 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.387 -2.089 -6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.143 -1.996 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.419 2.072 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.658 2.011 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.367 0.752 -4.319 1.00 0.00 H new ATOM 446 N ALA A 114 -0.753 -3.183 -6.869 1.00 0.00 N ATOM 447 CA ALA A 114 -0.710 -4.184 -7.899 1.00 0.00 C ATOM 448 C ALA A 114 -2.070 -4.816 -8.090 1.00 0.00 C ATOM 449 O ALA A 114 -2.447 -5.162 -9.209 1.00 0.00 O ATOM 450 CB ALA A 114 0.320 -5.247 -7.559 1.00 0.00 C ATOM 0 H ALA A 114 -0.625 -3.550 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.422 -3.701 -8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.341 -5.999 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.304 -4.786 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.055 -5.721 -6.614 1.00 0.00 H new ATOM 456 N SER A 115 -2.809 -4.973 -7.008 1.00 0.00 N ATOM 457 CA SER A 115 -4.125 -5.604 -7.055 1.00 0.00 C ATOM 458 C SER A 115 -4.917 -5.188 -5.829 1.00 0.00 C ATOM 459 O SER A 115 -4.334 -5.007 -4.769 1.00 0.00 O ATOM 460 CB SER A 115 -3.986 -7.141 -7.053 1.00 0.00 C ATOM 461 OG SER A 115 -3.176 -7.604 -8.126 1.00 0.00 O ATOM 0 H SER A 115 -2.522 -4.671 -6.077 1.00 0.00 H new ATOM 0 HA SER A 115 -4.634 -5.290 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.553 -7.465 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.975 -7.595 -7.123 1.00 0.00 H new ATOM 0 HG SER A 115 -3.111 -8.581 -8.089 1.00 0.00 H new ATOM 467 N ILE A 116 -6.210 -5.015 -5.973 1.00 0.00 N ATOM 468 CA ILE A 116 -7.071 -4.663 -4.869 1.00 0.00 C ATOM 469 C ILE A 116 -8.165 -5.701 -4.699 1.00 0.00 C ATOM 470 O ILE A 116 -8.753 -6.162 -5.680 1.00 0.00 O ATOM 471 CB ILE A 116 -7.738 -3.292 -5.095 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.697 -2.189 -5.170 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.761 -2.998 -4.006 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.265 -0.874 -5.558 1.00 0.00 C ATOM 0 H ILE A 116 -6.696 -5.115 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.448 -4.620 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.263 -3.327 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.207 -2.094 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.928 -2.472 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.217 -2.025 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.533 -3.768 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.266 -2.990 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.469 -0.130 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.730 -0.954 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.013 -0.571 -4.826 1.00 0.00 H new ATOM 486 N ASP A 117 -8.396 -6.099 -3.486 1.00 0.00 N ATOM 487 CA ASP A 117 -9.507 -6.954 -3.159 1.00 0.00 C ATOM 488 C ASP A 117 -10.429 -6.123 -2.315 1.00 0.00 C ATOM 489 O ASP A 117 -10.203 -5.967 -1.108 1.00 0.00 O ATOM 490 CB ASP A 117 -9.077 -8.183 -2.376 1.00 0.00 C ATOM 491 CG ASP A 117 -10.094 -9.290 -2.411 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.169 -9.173 -1.791 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.837 -10.318 -3.089 1.00 0.00 O ATOM 0 H ASP A 117 -7.818 -5.841 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.980 -7.317 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.134 -8.551 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.892 -7.900 -1.340 1.00 0.00 H new ATOM 498 N PHE A 118 -11.421 -5.555 -2.939 1.00 0.00 N ATOM 499 CA PHE A 118 -12.344 -4.649 -2.281 1.00 0.00 C ATOM 500 C PHE A 118 -13.140 -5.370 -1.206 1.00 0.00 C ATOM 501 O PHE A 118 -13.541 -4.766 -0.219 1.00 0.00 O ATOM 502 CB PHE A 118 -13.288 -3.989 -3.297 1.00 0.00 C ATOM 503 CG PHE A 118 -12.597 -3.145 -4.342 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.174 -1.858 -4.047 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.390 -3.633 -5.623 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.562 -1.073 -5.009 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.777 -2.857 -6.587 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.361 -1.575 -6.281 1.00 0.00 C ATOM 0 H PHE A 118 -11.621 -5.703 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.756 -3.865 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.862 -4.768 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.001 -3.365 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.324 -1.463 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.712 -4.634 -5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.242 -0.070 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.623 -3.252 -7.580 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.880 -0.967 -7.033 1.00 0.00 H new ATOM 518 N LYS A 119 -13.299 -6.683 -1.369 1.00 0.00 N ATOM 519 CA LYS A 119 -14.050 -7.490 -0.422 1.00 0.00 C ATOM 520 C LYS A 119 -13.319 -7.603 0.899 1.00 0.00 C ATOM 521 O LYS A 119 -13.933 -7.599 1.961 1.00 0.00 O ATOM 522 CB LYS A 119 -14.306 -8.876 -0.988 1.00 0.00 C ATOM 523 CG LYS A 119 -15.229 -8.908 -2.187 1.00 0.00 C ATOM 524 CD LYS A 119 -16.676 -8.493 -1.875 1.00 0.00 C ATOM 525 CE LYS A 119 -17.420 -9.454 -0.926 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.056 -9.310 0.515 1.00 0.00 N ATOM 0 H LYS A 119 -12.914 -7.208 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.005 -6.994 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.352 -9.321 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.730 -9.502 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.831 -8.247 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.233 -9.916 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.669 -7.497 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.231 -8.422 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.493 -9.292 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.219 -10.479 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.446 -10.103 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.548 -8.414 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.920 -9.313 1.093 1.00 0.00 H new ATOM 540 N ARG A 120 -12.015 -7.702 0.832 1.00 0.00 N ATOM 541 CA ARG A 120 -11.200 -7.786 2.034 1.00 0.00 C ATOM 542 C ARG A 120 -10.776 -6.411 2.480 1.00 0.00 C ATOM 543 O ARG A 120 -10.191 -6.254 3.560 1.00 0.00 O ATOM 544 CB ARG A 120 -9.958 -8.615 1.774 1.00 0.00 C ATOM 545 CG ARG A 120 -10.239 -10.037 1.394 1.00 0.00 C ATOM 546 CD ARG A 120 -8.965 -10.754 1.027 1.00 0.00 C ATOM 547 NE ARG A 120 -9.217 -12.133 0.634 1.00 0.00 N ATOM 548 CZ ARG A 120 -8.507 -12.816 -0.261 1.00 0.00 C ATOM 549 NH1 ARG A 120 -7.502 -12.239 -0.901 1.00 0.00 N ATOM 550 NH2 ARG A 120 -8.815 -14.078 -0.518 1.00 0.00 N ATOM 0 H ARG A 120 -11.487 -7.727 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.800 -8.256 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.381 -8.145 0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.334 -8.606 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.725 -10.551 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.932 -10.063 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.473 -10.227 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.280 -10.737 1.875 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.999 -12.613 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.267 -11.265 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.962 -12.768 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.593 -14.522 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.274 -14.606 -1.203 1.00 0.00 H new ATOM 564 N GLU A 121 -11.084 -5.420 1.633 1.00 0.00 N ATOM 565 CA GLU A 121 -10.694 -4.027 1.808 1.00 0.00 C ATOM 566 C GLU A 121 -9.150 -3.941 1.781 1.00 0.00 C ATOM 567 O GLU A 121 -8.542 -3.007 2.307 1.00 0.00 O ATOM 568 CB GLU A 121 -11.259 -3.470 3.134 1.00 0.00 C ATOM 569 CG GLU A 121 -11.169 -1.955 3.294 1.00 0.00 C ATOM 570 CD GLU A 121 -11.421 -1.514 4.705 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.592 -1.454 5.144 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.437 -1.218 5.427 1.00 0.00 O ATOM 0 H GLU A 121 -11.628 -5.577 0.784 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.103 -3.421 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.305 -3.767 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.727 -3.939 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.181 -1.617 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.893 -1.479 2.632 1.00 0.00 H new ATOM 579 N THR A 122 -8.517 -4.898 1.134 1.00 0.00 N ATOM 580 CA THR A 122 -7.089 -4.937 1.106 1.00 0.00 C ATOM 581 C THR A 122 -6.566 -4.922 -0.306 1.00 0.00 C ATOM 582 O THR A 122 -7.292 -5.179 -1.251 1.00 0.00 O ATOM 583 CB THR A 122 -6.496 -6.140 1.877 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.950 -7.401 1.335 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.834 -6.078 3.349 1.00 0.00 C ATOM 0 H THR A 122 -8.977 -5.653 0.625 1.00 0.00 H new ATOM 0 HA THR A 122 -6.761 -4.033 1.619 1.00 0.00 H new ATOM 0 HB THR A 122 -5.414 -6.077 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.405 -8.129 1.700 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.401 -6.939 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.428 -5.161 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.917 -6.089 3.474 1.00 0.00 H new ATOM 593 N CYS A 123 -5.330 -4.595 -0.444 1.00 0.00 N ATOM 594 CA CYS A 123 -4.691 -4.541 -1.702 1.00 0.00 C ATOM 595 C CYS A 123 -3.245 -4.905 -1.561 1.00 0.00 C ATOM 596 O CYS A 123 -2.664 -4.740 -0.505 1.00 0.00 O ATOM 597 CB CYS A 123 -4.842 -3.158 -2.277 1.00 0.00 C ATOM 598 SG CYS A 123 -4.385 -1.864 -1.122 1.00 0.00 S ATOM 0 H CYS A 123 -4.723 -4.352 0.339 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.155 -5.258 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.225 -3.073 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.876 -3.011 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.255 -2.371 0.068 1.00 0.00 H new ATOM 604 N VAL A 124 -2.689 -5.409 -2.604 1.00 0.00 N ATOM 605 CA VAL A 124 -1.313 -5.785 -2.619 1.00 0.00 C ATOM 606 C VAL A 124 -0.523 -4.651 -3.215 1.00 0.00 C ATOM 607 O VAL A 124 -0.880 -4.134 -4.290 1.00 0.00 O ATOM 608 CB VAL A 124 -1.096 -7.083 -3.433 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.379 -7.475 -3.467 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.942 -8.209 -2.848 1.00 0.00 C ATOM 0 H VAL A 124 -3.179 -5.576 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.979 -5.984 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.410 -6.902 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.499 -8.391 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.958 -6.675 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.735 -7.640 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.785 -9.120 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.652 -8.382 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.995 -7.931 -2.888 1.00 0.00 H new ATOM 620 N VAL A 125 0.519 -4.260 -2.543 1.00 0.00 N ATOM 621 CA VAL A 125 1.327 -3.170 -2.980 1.00 0.00 C ATOM 622 C VAL A 125 2.742 -3.646 -3.230 1.00 0.00 C ATOM 623 O VAL A 125 3.231 -4.571 -2.573 1.00 0.00 O ATOM 624 CB VAL A 125 1.348 -2.019 -1.931 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.049 -1.445 -1.715 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.953 -2.495 -0.598 1.00 0.00 C ATOM 0 H VAL A 125 0.830 -4.693 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 125 0.895 -2.785 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 125 1.982 -1.225 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.003 -0.644 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.430 -1.050 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.714 -2.231 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.955 -1.671 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.357 -3.317 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.976 -2.834 -0.763 1.00 0.00 H new ATOM 636 N VAL A 126 3.360 -3.052 -4.205 1.00 0.00 N ATOM 637 CA VAL A 126 4.711 -3.350 -4.563 1.00 0.00 C ATOM 638 C VAL A 126 5.572 -2.173 -4.201 1.00 0.00 C ATOM 639 O VAL A 126 5.366 -1.074 -4.717 1.00 0.00 O ATOM 640 CB VAL A 126 4.866 -3.615 -6.076 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.315 -3.949 -6.412 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.943 -4.727 -6.523 1.00 0.00 C ATOM 0 H VAL A 126 2.929 -2.332 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 126 5.010 -4.251 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 126 4.588 -2.708 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.407 -4.133 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.956 -3.113 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.620 -4.840 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.069 -4.897 -7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.184 -5.641 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.910 -4.446 -6.320 1.00 0.00 H new ATOM 652 N TYR A 127 6.506 -2.390 -3.328 1.00 0.00 N ATOM 653 CA TYR A 127 7.398 -1.352 -2.884 1.00 0.00 C ATOM 654 C TYR A 127 8.373 -0.989 -3.970 1.00 0.00 C ATOM 655 O TYR A 127 9.188 -1.825 -4.419 1.00 0.00 O ATOM 656 CB TYR A 127 8.130 -1.771 -1.638 1.00 0.00 C ATOM 657 CG TYR A 127 7.226 -2.012 -0.473 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.783 -0.952 0.300 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.824 -3.293 -0.130 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.971 -1.153 1.377 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.011 -3.506 0.944 1.00 0.00 C ATOM 662 CZ TYR A 127 5.584 -2.423 1.704 1.00 0.00 C ATOM 663 OH TYR A 127 4.743 -2.602 2.779 1.00 0.00 O ATOM 0 H TYR A 127 6.676 -3.299 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 127 6.800 -0.471 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.694 -2.680 -1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.854 -1.000 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.086 0.053 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.159 -4.133 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.636 -0.314 1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.701 -4.508 1.202 1.00 0.00 H new ATOM 0 HH TYR A 127 4.504 -1.730 3.156 1.00 0.00 H new ATOM 673 N THR A 128 8.289 0.238 -4.379 1.00 0.00 N ATOM 674 CA THR A 128 9.066 0.765 -5.450 1.00 0.00 C ATOM 675 C THR A 128 10.558 0.798 -5.098 1.00 0.00 C ATOM 676 O THR A 128 10.944 1.208 -4.005 1.00 0.00 O ATOM 677 CB THR A 128 8.567 2.172 -5.778 1.00 0.00 C ATOM 678 OG1 THR A 128 7.139 2.120 -5.986 1.00 0.00 O ATOM 679 CG2 THR A 128 9.241 2.690 -7.028 1.00 0.00 C ATOM 0 H THR A 128 7.656 0.920 -3.961 1.00 0.00 H new ATOM 0 HA THR A 128 8.952 0.117 -6.319 1.00 0.00 H new ATOM 0 HB THR A 128 8.804 2.843 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.806 3.018 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.876 3.693 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.319 2.722 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.014 2.029 -7.864 1.00 0.00 H new ATOM 687 N GLY A 129 11.378 0.303 -6.009 1.00 0.00 N ATOM 688 CA GLY A 129 12.813 0.301 -5.811 1.00 0.00 C ATOM 689 C GLY A 129 13.278 -0.964 -5.142 1.00 0.00 C ATOM 690 O GLY A 129 14.466 -1.299 -5.154 1.00 0.00 O ATOM 0 H GLY A 129 11.072 -0.103 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.314 0.410 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.098 1.160 -5.204 1.00 0.00 H new ATOM 694 N TYR A 130 12.354 -1.665 -4.547 1.00 0.00 N ATOM 695 CA TYR A 130 12.667 -2.888 -3.857 1.00 0.00 C ATOM 696 C TYR A 130 12.122 -4.085 -4.606 1.00 0.00 C ATOM 697 O TYR A 130 12.773 -5.125 -4.697 1.00 0.00 O ATOM 698 CB TYR A 130 12.104 -2.845 -2.452 1.00 0.00 C ATOM 699 CG TYR A 130 12.566 -1.649 -1.657 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.845 -1.589 -1.133 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.716 -0.584 -1.425 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.263 -0.497 -0.396 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.120 0.507 -0.691 1.00 0.00 C ATOM 704 CZ TYR A 130 13.393 0.548 -0.178 1.00 0.00 C ATOM 705 OH TYR A 130 13.798 1.642 0.568 1.00 0.00 O ATOM 0 H TYR A 130 11.367 -1.408 -4.526 1.00 0.00 H new ATOM 0 HA TYR A 130 13.751 -2.988 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 130 11.015 -2.838 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.392 -3.755 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.528 -2.408 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.714 -0.609 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.265 -0.464 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.439 1.327 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 130 13.064 2.289 0.625 1.00 0.00 H new ATOM 715 N GLY A 131 10.930 -3.938 -5.139 1.00 0.00 N ATOM 716 CA GLY A 131 10.320 -5.017 -5.880 1.00 0.00 C ATOM 717 C GLY A 131 9.666 -6.025 -4.967 1.00 0.00 C ATOM 718 O GLY A 131 9.507 -7.193 -5.319 1.00 0.00 O ATOM 0 H GLY A 131 10.368 -3.089 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.576 -4.612 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 131 11.076 -5.514 -6.487 1.00 0.00 H new ATOM 722 N ASN A 132 9.320 -5.582 -3.786 1.00 0.00 N ATOM 723 CA ASN A 132 8.637 -6.421 -2.810 1.00 0.00 C ATOM 724 C ASN A 132 7.169 -6.202 -2.908 1.00 0.00 C ATOM 725 O ASN A 132 6.743 -5.125 -3.284 1.00 0.00 O ATOM 726 CB ASN A 132 9.044 -6.074 -1.396 1.00 0.00 C ATOM 727 CG ASN A 132 10.359 -6.642 -0.926 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.294 -6.887 -1.702 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.456 -6.803 0.363 1.00 0.00 N ATOM 0 H ASN A 132 9.500 -4.631 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 132 8.907 -7.455 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.088 -4.988 -1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.261 -6.417 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.327 -7.143 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.661 -6.589 0.965 1.00 0.00 H new ATOM 736 N ARG A 133 6.394 -7.183 -2.540 1.00 0.00 N ATOM 737 CA ARG A 133 4.955 -7.047 -2.592 1.00 0.00 C ATOM 738 C ARG A 133 4.313 -7.646 -1.348 1.00 0.00 C ATOM 739 O ARG A 133 4.706 -8.729 -0.897 1.00 0.00 O ATOM 740 CB ARG A 133 4.394 -7.635 -3.919 1.00 0.00 C ATOM 741 CG ARG A 133 4.590 -9.139 -4.146 1.00 0.00 C ATOM 742 CD ARG A 133 3.462 -9.971 -3.538 1.00 0.00 C ATOM 743 NE ARG A 133 3.644 -11.410 -3.771 1.00 0.00 N ATOM 744 CZ ARG A 133 2.690 -12.345 -3.615 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.462 -11.990 -3.256 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.971 -13.629 -3.818 1.00 0.00 N ATOM 0 H ARG A 133 6.727 -8.085 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 133 4.695 -5.989 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.326 -7.421 -3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.858 -7.103 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.648 -9.338 -5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.541 -9.448 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.411 -9.782 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.510 -9.654 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 133 4.566 -11.724 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.241 -11.007 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.740 -12.700 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.913 -13.908 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.245 -14.335 -3.699 1.00 0.00 H new ATOM 760 N GLU A 134 3.366 -6.940 -0.790 1.00 0.00 N ATOM 761 CA GLU A 134 2.682 -7.367 0.411 1.00 0.00 C ATOM 762 C GLU A 134 1.297 -6.735 0.450 1.00 0.00 C ATOM 763 O GLU A 134 1.034 -5.778 -0.288 1.00 0.00 O ATOM 764 CB GLU A 134 3.491 -7.080 1.671 1.00 0.00 C ATOM 765 CG GLU A 134 3.424 -5.685 2.159 1.00 0.00 C ATOM 766 CD GLU A 134 4.363 -5.446 3.314 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.514 -5.907 3.283 1.00 0.00 O ATOM 768 OE2 GLU A 134 3.969 -4.792 4.285 1.00 0.00 O ATOM 0 H GLU A 134 3.042 -6.045 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 134 2.569 -8.451 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.145 -7.742 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.534 -7.331 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.670 -5.004 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.404 -5.457 2.468 1.00 0.00 H new ATOM 775 N GLU A 135 0.408 -7.313 1.207 1.00 0.00 N ATOM 776 CA GLU A 135 -0.961 -6.877 1.246 1.00 0.00 C ATOM 777 C GLU A 135 -1.214 -5.896 2.393 1.00 0.00 C ATOM 778 O GLU A 135 -0.818 -6.132 3.549 1.00 0.00 O ATOM 779 CB GLU A 135 -1.854 -8.063 1.411 1.00 0.00 C ATOM 780 CG GLU A 135 -3.284 -7.801 1.028 1.00 0.00 C ATOM 781 CD GLU A 135 -4.174 -8.998 1.216 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.189 -9.899 0.347 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.905 -9.063 2.224 1.00 0.00 O ATOM 0 H GLU A 135 0.612 -8.104 1.818 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.174 -6.363 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.469 -8.883 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.820 -8.391 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.668 -6.973 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.323 -7.487 -0.015 1.00 0.00 H new ATOM 790 N GLN A 136 -1.885 -4.835 2.060 1.00 0.00 N ATOM 791 CA GLN A 136 -2.254 -3.757 2.978 1.00 0.00 C ATOM 792 C GLN A 136 -3.704 -3.424 2.821 1.00 0.00 C ATOM 793 O GLN A 136 -4.303 -3.782 1.838 1.00 0.00 O ATOM 794 CB GLN A 136 -1.443 -2.473 2.756 1.00 0.00 C ATOM 795 CG GLN A 136 -0.181 -2.378 3.568 1.00 0.00 C ATOM 796 CD GLN A 136 1.000 -3.030 2.933 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.889 -3.939 2.167 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.126 -2.609 3.313 1.00 0.00 N ATOM 0 H GLN A 136 -2.212 -4.674 1.107 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.038 -4.126 3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.185 -2.401 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.074 -1.616 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.048 -1.327 3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.354 -2.833 4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.184 -1.830 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.979 -3.048 2.965 1.00 0.00 H new ATOM 807 N ASN A 137 -4.263 -2.729 3.773 1.00 0.00 N ATOM 808 CA ASN A 137 -5.666 -2.341 3.691 1.00 0.00 C ATOM 809 C ASN A 137 -5.772 -1.062 2.906 1.00 0.00 C ATOM 810 O ASN A 137 -4.884 -0.221 2.985 1.00 0.00 O ATOM 811 CB ASN A 137 -6.294 -2.111 5.078 1.00 0.00 C ATOM 812 CG ASN A 137 -6.169 -3.287 6.025 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.029 -4.169 6.059 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.132 -3.290 6.825 1.00 0.00 N ATOM 0 H ASN A 137 -3.781 -2.415 4.616 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.204 -3.156 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.825 -1.240 5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.350 -1.874 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.016 -4.040 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.441 -2.542 6.767 1.00 0.00 H new ATOM 821 N LEU A 138 -6.853 -0.904 2.170 1.00 0.00 N ATOM 822 CA LEU A 138 -7.111 0.314 1.383 1.00 0.00 C ATOM 823 C LEU A 138 -7.152 1.532 2.305 1.00 0.00 C ATOM 824 O LEU A 138 -6.658 2.606 1.973 1.00 0.00 O ATOM 825 CB LEU A 138 -8.453 0.178 0.638 1.00 0.00 C ATOM 826 CG LEU A 138 -8.542 -0.976 -0.350 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.972 -1.163 -0.806 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.650 -0.710 -1.542 1.00 0.00 C ATOM 0 H LEU A 138 -7.586 -1.609 2.092 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.309 0.445 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.248 0.064 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.647 1.107 0.102 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.208 -1.888 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.023 -1.991 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.603 -1.381 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.322 -0.251 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.721 -1.542 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.967 0.209 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.618 -0.605 -1.208 1.00 0.00 H new ATOM 840 N SER A 139 -7.711 1.329 3.478 1.00 0.00 N ATOM 841 CA SER A 139 -7.842 2.320 4.465 1.00 0.00 C ATOM 842 C SER A 139 -6.494 2.613 5.151 1.00 0.00 C ATOM 843 O SER A 139 -6.283 3.683 5.720 1.00 0.00 O ATOM 844 CB SER A 139 -8.797 1.765 5.451 1.00 0.00 C ATOM 845 OG SER A 139 -10.007 1.357 4.825 1.00 0.00 O ATOM 0 H SER A 139 -8.094 0.426 3.758 1.00 0.00 H new ATOM 0 HA SER A 139 -8.184 3.261 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.344 0.915 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.014 2.514 6.212 1.00 0.00 H new ATOM 0 HG SER A 139 -10.350 0.553 5.268 1.00 0.00 H new ATOM 851 N ASP A 140 -5.602 1.659 5.071 1.00 0.00 N ATOM 852 CA ASP A 140 -4.284 1.746 5.698 1.00 0.00 C ATOM 853 C ASP A 140 -3.251 2.325 4.779 1.00 0.00 C ATOM 854 O ASP A 140 -2.149 2.647 5.219 1.00 0.00 O ATOM 855 CB ASP A 140 -3.806 0.389 6.191 1.00 0.00 C ATOM 856 CG ASP A 140 -4.312 0.022 7.557 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.415 -0.500 7.662 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.579 0.226 8.554 1.00 0.00 O ATOM 0 H ASP A 140 -5.760 0.787 4.567 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.405 2.416 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.121 -0.376 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.716 0.382 6.205 1.00 0.00 H new ATOM 863 N LEU A 141 -3.574 2.410 3.510 1.00 0.00 N ATOM 864 CA LEU A 141 -2.679 3.011 2.538 1.00 0.00 C ATOM 865 C LEU A 141 -2.607 4.497 2.732 1.00 0.00 C ATOM 866 O LEU A 141 -3.615 5.153 3.069 1.00 0.00 O ATOM 867 CB LEU A 141 -3.107 2.741 1.106 1.00 0.00 C ATOM 868 CG LEU A 141 -3.147 1.305 0.640 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.477 1.268 -0.837 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.826 0.624 0.907 1.00 0.00 C ATOM 0 H LEU A 141 -4.453 2.070 3.121 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.703 2.554 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.102 3.165 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.433 3.288 0.447 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.918 0.769 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.507 0.233 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.448 1.733 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.714 1.811 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.874 -0.410 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.033 1.147 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.617 0.643 1.977 1.00 0.00 H new ATOM 882 N LEU A 142 -1.447 5.032 2.512 1.00 0.00 N ATOM 883 CA LEU A 142 -1.238 6.436 2.668 1.00 0.00 C ATOM 884 C LEU A 142 -0.904 7.052 1.338 1.00 0.00 C ATOM 885 O LEU A 142 -0.576 6.335 0.377 1.00 0.00 O ATOM 886 CB LEU A 142 -0.112 6.751 3.674 1.00 0.00 C ATOM 887 CG LEU A 142 -0.285 6.237 5.113 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.115 4.774 5.248 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.470 7.112 6.096 1.00 0.00 C ATOM 0 H LEU A 142 -0.621 4.509 2.220 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.163 6.860 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.817 6.340 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.010 7.833 3.715 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.346 6.298 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -0.023 4.453 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.507 4.165 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.162 4.656 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.332 6.727 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.531 7.106 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.090 8.132 6.041 1.00 0.00 H new ATOM 901 N SER A 143 -0.980 8.359 1.288 1.00 0.00 N ATOM 902 CA SER A 143 -0.635 9.130 0.125 1.00 0.00 C ATOM 903 C SER A 143 0.852 8.910 -0.157 1.00 0.00 C ATOM 904 O SER A 143 1.663 8.854 0.789 1.00 0.00 O ATOM 905 CB SER A 143 -0.927 10.621 0.417 1.00 0.00 C ATOM 906 OG SER A 143 -0.671 11.472 -0.703 1.00 0.00 O ATOM 0 H SER A 143 -1.291 8.928 2.076 1.00 0.00 H new ATOM 0 HA SER A 143 -1.217 8.827 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.969 10.729 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.317 10.946 1.260 1.00 0.00 H new ATOM 0 HG SER A 143 -0.874 12.400 -0.462 1.00 0.00 H new ATOM 912 N PRO A 144 1.233 8.730 -1.427 1.00 0.00 N ATOM 913 CA PRO A 144 2.615 8.486 -1.795 1.00 0.00 C ATOM 914 C PRO A 144 3.491 9.687 -1.539 1.00 0.00 C ATOM 915 O PRO A 144 3.005 10.811 -1.315 1.00 0.00 O ATOM 916 CB PRO A 144 2.558 8.187 -3.283 1.00 0.00 C ATOM 917 CG PRO A 144 1.333 8.864 -3.743 1.00 0.00 C ATOM 918 CD PRO A 144 0.358 8.772 -2.603 1.00 0.00 C ATOM 0 HA PRO A 144 3.047 7.676 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.440 8.566 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.515 7.114 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.535 9.904 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.934 8.385 -4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.314 9.630 -2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.265 7.881 -2.675 1.00 0.00 H new ATOM 926 N ILE A 145 4.745 9.456 -1.579 1.00 0.00 N ATOM 927 CA ILE A 145 5.721 10.471 -1.346 1.00 0.00 C ATOM 928 C ILE A 145 6.526 10.670 -2.606 1.00 0.00 C ATOM 929 O ILE A 145 6.344 9.921 -3.580 1.00 0.00 O ATOM 930 CB ILE A 145 6.659 10.099 -0.166 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.358 8.749 -0.420 1.00 0.00 C ATOM 932 CG2 ILE A 145 5.874 10.067 1.143 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.325 8.340 0.669 1.00 0.00 C ATOM 0 H ILE A 145 5.142 8.538 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 145 5.209 11.395 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 145 7.432 10.863 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.599 7.974 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.895 8.803 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.543 9.805 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.438 11.048 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 145 5.079 9.325 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.774 7.380 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.107 9.093 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.791 8.252 1.615 1.00 0.00 H new ATOM 945 N CYS A 146 7.389 11.646 -2.606 1.00 0.00 N ATOM 946 CA CYS A 146 8.222 11.912 -3.747 1.00 0.00 C ATOM 947 C CYS A 146 9.304 10.842 -3.873 1.00 0.00 C ATOM 948 O CYS A 146 9.608 10.127 -2.904 1.00 0.00 O ATOM 949 CB CYS A 146 8.832 13.295 -3.623 1.00 0.00 C ATOM 950 SG CYS A 146 9.732 13.571 -2.087 1.00 0.00 S ATOM 0 H CYS A 146 7.536 12.278 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 146 7.615 11.882 -4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 146 9.509 13.458 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 146 8.039 14.038 -3.705 1.00 0.00 H new ATOM 0 HG CYS A 146 10.216 14.778 -2.078 1.00 0.00 H new ATOM 956 N GLU A 147 9.861 10.712 -5.033 1.00 0.00 N ATOM 957 CA GLU A 147 10.860 9.717 -5.281 1.00 0.00 C ATOM 958 C GLU A 147 12.092 10.371 -5.861 1.00 0.00 C ATOM 959 O GLU A 147 12.128 10.624 -7.062 1.00 0.00 O ATOM 960 CB GLU A 147 10.302 8.635 -6.202 1.00 0.00 C ATOM 961 CG GLU A 147 9.157 7.853 -5.577 1.00 0.00 C ATOM 962 CD GLU A 147 8.489 6.926 -6.541 1.00 0.00 C ATOM 963 OE1 GLU A 147 9.083 5.893 -6.896 1.00 0.00 O ATOM 964 OE2 GLU A 147 7.331 7.207 -6.950 1.00 0.00 O ATOM 965 OXT GLU A 147 13.014 10.687 -5.092 1.00 0.00 O ATOM 0 H GLU A 147 9.637 11.294 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 147 11.145 9.235 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 147 9.957 9.096 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.102 7.945 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.535 7.278 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 147 8.419 8.552 -5.183 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.765 -1.381 1.858 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.140 -3.567 0.737 1.00 0.00 C HETATM 975 N DA2 A1148 14.048 -7.439 -1.351 1.00 0.00 N HETATM 976 CA DA2 A1148 14.561 -6.990 -0.056 1.00 0.00 C HETATM 977 CB DA2 A1148 14.187 -5.522 0.186 1.00 0.00 C HETATM 978 CG DA2 A1148 14.465 -5.022 1.603 1.00 0.00 C HETATM 979 CD DA2 A1148 14.074 -3.575 1.756 1.00 0.00 C HETATM 980 NE DA2 A1148 12.668 -3.406 1.486 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.908 -2.404 1.844 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.372 -1.382 2.528 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.658 -2.442 1.498 1.00 0.00 N HETATM 984 C DA2 A1148 13.988 -7.874 1.028 1.00 0.00 C HETATM 985 O DA2 A1148 14.754 -8.528 1.749 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.757 -7.956 1.144 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.266 -1.564 3.526 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.913 -5.629 2.321 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.524 -5.142 1.833 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.301 -3.235 2.766 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.659 -2.959 1.073 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.737 -4.899 -0.520 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 13.127 -5.390 -0.031 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.348 -4.056 1.304 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.740 -3.211 -0.212 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.943 -4.279 0.548 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.349 -0.933 0.955 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.957 -1.778 2.472 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.309 -0.623 2.421 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.216 -4.151 0.957 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 14.214 -8.396 -1.661 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.525 -6.794 -1.944 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.648 -7.063 -0.045 1.00 0.00 H new