USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 218 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 PHE N :NH3+ 166:sc= 0.526 (180deg=0.411) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 160:sc= 0.627 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0667 USER MOD Single : A 16 THR OG1 : rot 50:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -39:sc= 0.994 USER MOD Single : A 24 SER OG : rot -162:sc= 0.0426 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= -0.0133 (180deg=-0.0597) USER MOD Single : A 30 GLN : amide:sc= 1.07 K(o=1.1,f=-5.6!) USER MOD Single : A 31 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.8!) USER MOD Single : A 32 ASN : amide:sc= 0.603 K(o=0.6,f=-0.32) USER MOD Single : A 33 GLN : amide:sc= 0.162 K(o=0.16,f=-6.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 1.716 -5.790 8.148 1.00 0.00 N ATOM 2 CA PHE A 1 0.836 -4.631 8.091 1.00 0.00 C ATOM 3 C PHE A 1 1.542 -3.381 8.627 1.00 0.00 C ATOM 4 O PHE A 1 2.417 -3.464 9.486 1.00 0.00 O ATOM 5 CB PHE A 1 -0.448 -4.898 8.888 1.00 0.00 C ATOM 6 CG PHE A 1 -1.175 -6.201 8.595 1.00 0.00 C ATOM 7 CD1 PHE A 1 -1.159 -6.772 7.308 1.00 0.00 C ATOM 8 CD2 PHE A 1 -1.892 -6.837 9.627 1.00 0.00 C ATOM 9 CE1 PHE A 1 -1.781 -8.012 7.079 1.00 0.00 C ATOM 10 CE2 PHE A 1 -2.558 -8.051 9.383 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.491 -8.647 8.112 1.00 0.00 C ATOM 0 H1 PHE A 1 1.158 -6.657 8.009 1.00 0.00 H new ATOM 0 H2 PHE A 1 2.435 -5.717 7.400 1.00 0.00 H new ATOM 0 H3 PHE A 1 2.185 -5.825 9.076 1.00 0.00 H new ATOM 0 HA PHE A 1 0.574 -4.454 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -0.200 -4.878 9.949 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.139 -4.075 8.706 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -0.668 -6.257 6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.930 -6.390 10.610 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -1.713 -8.477 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -3.121 -8.526 10.173 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.984 -9.591 7.930 1.00 0.00 H new ATOM 20 N GLY A 2 1.125 -2.212 8.137 1.00 0.00 N ATOM 21 CA GLY A 2 1.564 -0.917 8.615 1.00 0.00 C ATOM 22 C GLY A 2 1.870 0.009 7.450 1.00 0.00 C ATOM 23 O GLY A 2 0.944 0.324 6.706 1.00 0.00 O ATOM 0 H GLY A 2 0.452 -2.148 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.792 -0.475 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.452 -1.035 9.236 1.00 0.00 H new ATOM 27 N LEU A 3 3.118 0.474 7.314 1.00 0.00 N ATOM 28 CA LEU A 3 3.509 1.470 6.325 1.00 0.00 C ATOM 29 C LEU A 3 4.745 1.049 5.541 1.00 0.00 C ATOM 30 O LEU A 3 5.598 0.335 6.063 1.00 0.00 O ATOM 31 CB LEU A 3 3.685 2.863 6.953 1.00 0.00 C ATOM 32 CG LEU A 3 4.807 2.976 8.003 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.415 4.384 7.954 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.284 2.710 9.422 1.00 0.00 C ATOM 0 H LEU A 3 3.892 0.160 7.900 1.00 0.00 H new ATOM 0 HA LEU A 3 2.688 1.538 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.882 3.580 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.744 3.155 7.419 1.00 0.00 H new ATOM 0 HG LEU A 3 5.560 2.224 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.209 4.464 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.827 4.568 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.642 5.122 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.104 2.799 10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.510 3.438 9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.866 1.705 9.473 1.00 0.00 H new ATOM 45 N ILE A 4 4.796 1.457 4.270 1.00 0.00 N ATOM 46 CA ILE A 4 5.747 1.066 3.274 1.00 0.00 C ATOM 47 C ILE A 4 6.049 2.350 2.490 1.00 0.00 C ATOM 48 O ILE A 4 5.222 3.264 2.478 1.00 0.00 O ATOM 49 CB ILE A 4 5.055 -0.021 2.425 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.214 0.517 1.265 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.106 -0.914 3.258 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.552 -0.201 -0.023 1.00 0.00 C ATOM 0 H ILE A 4 4.113 2.119 3.902 1.00 0.00 H new ATOM 0 HA ILE A 4 6.683 0.651 3.648 1.00 0.00 H new ATOM 0 HB ILE A 4 5.900 -0.587 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.155 0.391 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.390 1.586 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.647 -1.661 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.673 -1.414 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.328 -0.297 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.942 0.198 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.606 -0.053 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.352 -1.266 0.091 1.00 0.00 H new ATOM 63 N ASP A 5 7.167 2.395 1.768 1.00 0.00 N ATOM 64 CA ASP A 5 7.650 3.610 1.125 1.00 0.00 C ATOM 65 C ASP A 5 7.823 3.393 -0.378 1.00 0.00 C ATOM 66 O ASP A 5 8.792 3.855 -0.980 1.00 0.00 O ATOM 67 CB ASP A 5 8.940 4.052 1.820 1.00 0.00 C ATOM 68 CG ASP A 5 8.648 4.701 3.166 1.00 0.00 C ATOM 69 OD1 ASP A 5 8.484 3.936 4.141 1.00 0.00 O ATOM 70 OD2 ASP A 5 8.572 5.948 3.188 1.00 0.00 O ATOM 0 H ASP A 5 7.765 1.583 1.613 1.00 0.00 H new ATOM 0 HA ASP A 5 6.920 4.413 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.592 3.190 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.476 4.756 1.183 1.00 0.00 H new ATOM 74 N VAL A 6 6.862 2.703 -0.999 1.00 0.00 N ATOM 75 CA VAL A 6 6.792 2.598 -2.452 1.00 0.00 C ATOM 76 C VAL A 6 5.814 3.656 -2.966 1.00 0.00 C ATOM 77 O VAL A 6 4.744 3.850 -2.391 1.00 0.00 O ATOM 78 CB VAL A 6 6.422 1.171 -2.886 1.00 0.00 C ATOM 79 CG1 VAL A 6 6.305 1.068 -4.415 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.498 0.181 -2.417 1.00 0.00 C ATOM 0 H VAL A 6 6.118 2.206 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 6 7.769 2.792 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 6 5.460 0.930 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.042 0.047 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.531 1.750 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.258 1.334 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.226 -0.827 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.458 0.451 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.575 0.215 -1.330 1.00 0.00 H new ATOM 90 N LYS A 7 6.208 4.342 -4.042 1.00 0.00 N ATOM 91 CA LYS A 7 5.453 5.421 -4.662 1.00 0.00 C ATOM 92 C LYS A 7 4.037 4.991 -5.054 1.00 0.00 C ATOM 93 O LYS A 7 3.858 4.285 -6.042 1.00 0.00 O ATOM 94 CB LYS A 7 6.228 6.025 -5.848 1.00 0.00 C ATOM 95 CG LYS A 7 6.834 4.990 -6.811 1.00 0.00 C ATOM 96 CD LYS A 7 8.362 4.924 -6.651 1.00 0.00 C ATOM 97 CE LYS A 7 8.957 3.820 -7.535 1.00 0.00 C ATOM 98 NZ LYS A 7 10.428 3.751 -7.421 1.00 0.00 N ATOM 0 H LYS A 7 7.090 4.151 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 7 5.332 6.205 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.557 6.675 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.030 6.653 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.401 4.009 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.582 5.252 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.802 5.885 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.615 4.736 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.526 2.859 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.682 4.000 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.789 2.992 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.842 4.659 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.691 3.553 -6.434 1.00 0.00 H new ATOM 108 N CYS A 8 3.040 5.460 -4.302 1.00 0.00 N ATOM 109 CA CYS A 8 1.637 5.350 -4.697 1.00 0.00 C ATOM 110 C CYS A 8 1.377 6.171 -5.944 1.00 0.00 C ATOM 111 O CYS A 8 1.647 7.373 -5.965 1.00 0.00 O ATOM 112 CB CYS A 8 0.707 5.788 -3.585 1.00 0.00 C ATOM 113 SG CYS A 8 -0.583 7.028 -3.889 1.00 0.00 S ATOM 0 H CYS A 8 3.183 5.925 -3.405 1.00 0.00 H new ATOM 0 HA CYS A 8 1.435 4.300 -4.908 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.210 4.893 -3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.331 6.167 -2.776 1.00 0.00 H new ATOM 117 N PHE A 9 0.794 5.516 -6.940 1.00 0.00 N ATOM 118 CA PHE A 9 0.004 6.148 -7.980 1.00 0.00 C ATOM 119 C PHE A 9 -1.444 6.313 -7.487 1.00 0.00 C ATOM 120 O PHE A 9 -2.188 7.125 -8.028 1.00 0.00 O ATOM 121 CB PHE A 9 0.088 5.301 -9.260 1.00 0.00 C ATOM 122 CG PHE A 9 0.078 6.098 -10.550 1.00 0.00 C ATOM 123 CD1 PHE A 9 -1.123 6.624 -11.057 1.00 0.00 C ATOM 124 CD2 PHE A 9 1.287 6.330 -11.235 1.00 0.00 C ATOM 125 CE1 PHE A 9 -1.116 7.385 -12.241 1.00 0.00 C ATOM 126 CE2 PHE A 9 1.292 7.080 -12.424 1.00 0.00 C ATOM 127 CZ PHE A 9 0.091 7.612 -12.925 1.00 0.00 C ATOM 0 H PHE A 9 0.862 4.504 -7.046 1.00 0.00 H new ATOM 0 HA PHE A 9 0.390 7.141 -8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.999 4.704 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.750 4.604 -9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.052 6.444 -10.537 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.212 5.931 -10.846 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.039 7.795 -12.624 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.219 7.248 -12.953 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.096 8.194 -13.834 1.00 0.00 H new ATOM 136 N ALA A 10 -1.847 5.554 -6.454 1.00 0.00 N ATOM 137 CA ALA A 10 -3.184 5.564 -5.865 1.00 0.00 C ATOM 138 C ALA A 10 -3.174 4.636 -4.644 1.00 0.00 C ATOM 139 O ALA A 10 -2.215 3.907 -4.443 1.00 0.00 O ATOM 140 CB ALA A 10 -4.227 5.078 -6.881 1.00 0.00 C ATOM 0 H ALA A 10 -1.221 4.893 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.449 6.580 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.216 5.093 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.220 5.734 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.986 4.061 -7.191 1.00 0.00 H new ATOM 146 N SER A 11 -4.246 4.623 -3.846 1.00 0.00 N ATOM 147 CA SER A 11 -4.435 3.645 -2.773 1.00 0.00 C ATOM 148 C SER A 11 -4.534 2.218 -3.312 1.00 0.00 C ATOM 149 O SER A 11 -4.036 1.286 -2.684 1.00 0.00 O ATOM 150 CB SER A 11 -5.701 4.007 -1.994 1.00 0.00 C ATOM 151 OG SER A 11 -5.422 5.120 -1.165 1.00 0.00 O ATOM 0 H SER A 11 -5.010 5.294 -3.927 1.00 0.00 H new ATOM 0 HA SER A 11 -3.566 3.678 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.513 4.242 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.029 3.160 -1.391 1.00 0.00 H new ATOM 0 HG SER A 11 -6.261 5.559 -0.913 1.00 0.00 H new ATOM 156 N SER A 12 -5.186 2.023 -4.457 1.00 0.00 N ATOM 157 CA SER A 12 -5.364 0.698 -5.023 1.00 0.00 C ATOM 158 C SER A 12 -4.013 0.019 -5.266 1.00 0.00 C ATOM 159 O SER A 12 -3.870 -1.181 -5.056 1.00 0.00 O ATOM 160 CB SER A 12 -6.211 0.828 -6.290 1.00 0.00 C ATOM 161 OG SER A 12 -5.810 1.986 -7.003 1.00 0.00 O ATOM 0 H SER A 12 -5.600 2.774 -5.009 1.00 0.00 H new ATOM 0 HA SER A 12 -5.892 0.049 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.091 -0.057 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.268 0.894 -6.030 1.00 0.00 H new ATOM 0 HG SER A 12 -6.349 2.072 -7.817 1.00 0.00 H new ATOM 166 N GLU A 13 -3.001 0.812 -5.630 1.00 0.00 N ATOM 167 CA GLU A 13 -1.604 0.402 -5.661 1.00 0.00 C ATOM 168 C GLU A 13 -1.249 -0.472 -4.461 1.00 0.00 C ATOM 169 O GLU A 13 -0.724 -1.568 -4.613 1.00 0.00 O ATOM 170 CB GLU A 13 -0.761 1.660 -5.520 1.00 0.00 C ATOM 171 CG GLU A 13 0.714 1.414 -5.855 1.00 0.00 C ATOM 172 CD GLU A 13 0.955 1.723 -7.318 1.00 0.00 C ATOM 173 OE1 GLU A 13 0.831 2.925 -7.634 1.00 0.00 O ATOM 174 OE2 GLU A 13 1.204 0.766 -8.083 1.00 0.00 O ATOM 0 H GLU A 13 -3.140 1.781 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.427 -0.148 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.156 2.435 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.842 2.036 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.350 2.041 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.979 0.378 -5.642 1.00 0.00 H new ATOM 179 N CYS A 14 -1.522 0.053 -3.265 1.00 0.00 N ATOM 180 CA CYS A 14 -1.136 -0.460 -1.976 1.00 0.00 C ATOM 181 C CYS A 14 -1.820 -1.780 -1.766 1.00 0.00 C ATOM 182 O CYS A 14 -1.306 -2.649 -1.068 1.00 0.00 O ATOM 183 CB CYS A 14 -1.643 0.480 -0.887 1.00 0.00 C ATOM 184 SG CYS A 14 -1.353 2.228 -1.087 1.00 0.00 S ATOM 0 H CYS A 14 -2.061 0.915 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.051 -0.556 -1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.718 0.329 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.191 0.173 0.056 1.00 0.00 H new ATOM 188 N TRP A 15 -3.002 -1.909 -2.370 1.00 0.00 N ATOM 189 CA TRP A 15 -3.736 -3.154 -2.304 1.00 0.00 C ATOM 190 C TRP A 15 -2.892 -4.183 -3.040 1.00 0.00 C ATOM 191 O TRP A 15 -2.340 -5.090 -2.422 1.00 0.00 O ATOM 192 CB TRP A 15 -5.145 -3.025 -2.887 1.00 0.00 C ATOM 193 CG TRP A 15 -6.071 -2.021 -2.282 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.776 -1.153 -1.296 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.451 -1.739 -2.655 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.876 -0.371 -1.018 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.938 -0.678 -1.839 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.337 -2.277 -3.608 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.241 -0.175 -1.962 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.635 -1.760 -3.766 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.093 -0.717 -2.940 1.00 0.00 C ATOM 0 H TRP A 15 -3.460 -1.170 -2.903 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.897 -3.459 -1.270 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.046 -2.790 -3.947 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.624 -4.002 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.821 -1.080 -0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.901 0.347 -0.294 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.014 -3.100 -4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.585 0.618 -1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.285 -2.166 -4.527 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.096 -0.334 -3.057 1.00 0.00 H new ATOM 211 N THR A 16 -2.722 -4.005 -4.351 1.00 0.00 N ATOM 212 CA THR A 16 -1.885 -4.872 -5.160 1.00 0.00 C ATOM 213 C THR A 16 -0.485 -5.043 -4.564 1.00 0.00 C ATOM 214 O THR A 16 0.076 -6.126 -4.685 1.00 0.00 O ATOM 215 CB THR A 16 -1.847 -4.323 -6.595 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.042 -2.926 -6.602 1.00 0.00 O ATOM 217 CG2 THR A 16 -2.970 -4.938 -7.433 1.00 0.00 C ATOM 0 H THR A 16 -3.165 -3.252 -4.877 1.00 0.00 H new ATOM 0 HA THR A 16 -2.316 -5.873 -5.175 1.00 0.00 H new ATOM 0 HB THR A 16 -0.871 -4.575 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.433 -2.507 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.929 -4.538 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.849 -6.021 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.933 -4.693 -6.986 1.00 0.00 H new ATOM 225 N ALA A 17 0.087 -4.030 -3.904 1.00 0.00 N ATOM 226 CA ALA A 17 1.392 -4.163 -3.272 1.00 0.00 C ATOM 227 C ALA A 17 1.330 -5.188 -2.141 1.00 0.00 C ATOM 228 O ALA A 17 2.073 -6.171 -2.128 1.00 0.00 O ATOM 229 CB ALA A 17 1.895 -2.798 -2.781 1.00 0.00 C ATOM 0 H ALA A 17 -0.339 -3.110 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 17 2.109 -4.527 -4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.871 -2.917 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.980 -2.116 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.191 -2.390 -2.055 1.00 0.00 H new ATOM 235 N CYS A 18 0.408 -4.982 -1.202 1.00 0.00 N ATOM 236 CA CYS A 18 0.236 -5.880 -0.071 1.00 0.00 C ATOM 237 C CYS A 18 -0.114 -7.276 -0.554 1.00 0.00 C ATOM 238 O CYS A 18 0.285 -8.267 0.048 1.00 0.00 O ATOM 239 CB CYS A 18 -0.848 -5.381 0.880 1.00 0.00 C ATOM 240 SG CYS A 18 -0.439 -5.805 2.592 1.00 0.00 S ATOM 0 H CYS A 18 -0.236 -4.191 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 18 1.181 -5.909 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.955 -4.301 0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.807 -5.822 0.610 1.00 0.00 H new ATOM 244 N LYS A 19 -0.862 -7.359 -1.656 1.00 0.00 N ATOM 245 CA LYS A 19 -1.201 -8.617 -2.267 1.00 0.00 C ATOM 246 C LYS A 19 0.048 -9.315 -2.803 1.00 0.00 C ATOM 247 O LYS A 19 0.305 -10.470 -2.477 1.00 0.00 O ATOM 248 CB LYS A 19 -2.191 -8.344 -3.394 1.00 0.00 C ATOM 249 CG LYS A 19 -3.554 -8.041 -2.824 1.00 0.00 C ATOM 250 CD LYS A 19 -4.739 -8.400 -3.727 1.00 0.00 C ATOM 251 CE LYS A 19 -4.749 -7.614 -5.047 1.00 0.00 C ATOM 252 NZ LYS A 19 -5.931 -7.948 -5.871 1.00 0.00 N ATOM 0 H LYS A 19 -1.244 -6.546 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.650 -9.280 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.845 -7.504 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.249 -9.209 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.662 -8.577 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.604 -6.977 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.711 -9.467 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.668 -8.209 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.743 -6.545 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.840 -7.832 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.905 -7.399 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.923 -8.964 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.798 -7.716 -5.345 1.00 0.00 H new ATOM 262 N LYS A 20 0.807 -8.603 -3.632 1.00 0.00 N ATOM 263 CA LYS A 20 2.071 -9.085 -4.186 1.00 0.00 C ATOM 264 C LYS A 20 2.957 -9.669 -3.084 1.00 0.00 C ATOM 265 O LYS A 20 3.492 -10.764 -3.241 1.00 0.00 O ATOM 266 CB LYS A 20 2.826 -7.974 -4.943 1.00 0.00 C ATOM 267 CG LYS A 20 2.752 -8.097 -6.472 1.00 0.00 C ATOM 268 CD LYS A 20 1.367 -7.731 -7.023 1.00 0.00 C ATOM 269 CE LYS A 20 1.243 -7.986 -8.531 1.00 0.00 C ATOM 270 NZ LYS A 20 2.164 -7.148 -9.331 1.00 0.00 N ATOM 0 H LYS A 20 0.559 -7.663 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 20 1.831 -9.871 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.420 -7.007 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.872 -7.988 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.502 -7.447 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.998 -9.118 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.607 -8.309 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.166 -6.679 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.445 -9.037 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.217 -7.792 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.038 -7.361 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.956 -6.143 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.146 -7.350 -9.054 1.00 0.00 H new ATOM 280 N VAL A 21 3.142 -8.936 -1.982 1.00 0.00 N ATOM 281 CA VAL A 21 4.010 -9.300 -0.912 1.00 0.00 C ATOM 282 C VAL A 21 3.405 -10.440 -0.106 1.00 0.00 C ATOM 283 O VAL A 21 4.070 -11.446 0.126 1.00 0.00 O ATOM 284 CB VAL A 21 4.102 -8.018 -0.091 1.00 0.00 C ATOM 285 CG1 VAL A 21 4.814 -8.248 1.209 1.00 0.00 C ATOM 286 CG2 VAL A 21 4.884 -6.948 -0.855 1.00 0.00 C ATOM 0 H VAL A 21 2.665 -8.048 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 21 4.986 -9.658 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 21 3.079 -7.693 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.861 -7.314 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.274 -8.993 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.825 -8.605 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.940 -6.040 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.891 -7.310 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.379 -6.730 -1.796 1.00 0.00 H new ATOM 296 N THR A 22 2.182 -10.227 0.395 1.00 0.00 N ATOM 297 CA THR A 22 1.618 -11.025 1.466 1.00 0.00 C ATOM 298 C THR A 22 0.134 -11.367 1.262 1.00 0.00 C ATOM 299 O THR A 22 -0.553 -11.671 2.236 1.00 0.00 O ATOM 300 CB THR A 22 1.884 -10.361 2.834 1.00 0.00 C ATOM 301 OG1 THR A 22 1.449 -11.174 3.905 1.00 0.00 O ATOM 302 CG2 THR A 22 1.252 -8.972 2.972 1.00 0.00 C ATOM 0 H THR A 22 1.561 -9.490 0.060 1.00 0.00 H new ATOM 0 HA THR A 22 2.131 -11.986 1.447 1.00 0.00 H new ATOM 0 HB THR A 22 2.966 -10.241 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.605 -11.609 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.479 -8.565 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.655 -8.311 2.205 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.171 -9.050 2.852 1.00 0.00 H new ATOM 310 N GLY A 23 -0.413 -11.277 0.046 1.00 0.00 N ATOM 311 CA GLY A 23 -1.798 -11.648 -0.252 1.00 0.00 C ATOM 312 C GLY A 23 -2.868 -10.693 0.314 1.00 0.00 C ATOM 313 O GLY A 23 -3.958 -10.578 -0.242 1.00 0.00 O ATOM 0 H GLY A 23 0.101 -10.940 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.918 -11.703 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.982 -12.648 0.140 1.00 0.00 H new ATOM 317 N SER A 24 -2.572 -10.003 1.416 1.00 0.00 N ATOM 318 CA SER A 24 -3.564 -9.351 2.261 1.00 0.00 C ATOM 319 C SER A 24 -3.887 -7.972 1.697 1.00 0.00 C ATOM 320 O SER A 24 -3.448 -6.952 2.216 1.00 0.00 O ATOM 321 CB SER A 24 -3.055 -9.290 3.706 1.00 0.00 C ATOM 322 OG SER A 24 -4.117 -8.920 4.567 1.00 0.00 O ATOM 0 H SER A 24 -1.616 -9.881 1.750 1.00 0.00 H new ATOM 0 HA SER A 24 -4.490 -9.926 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.654 -10.259 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.241 -8.570 3.786 1.00 0.00 H new ATOM 0 HG SER A 24 -3.752 -8.600 5.418 1.00 0.00 H new ATOM 327 N GLY A 25 -4.631 -7.944 0.593 1.00 0.00 N ATOM 328 CA GLY A 25 -4.728 -6.783 -0.278 1.00 0.00 C ATOM 329 C GLY A 25 -5.523 -5.579 0.250 1.00 0.00 C ATOM 330 O GLY A 25 -6.208 -4.937 -0.540 1.00 0.00 O ATOM 0 H GLY A 25 -5.188 -8.738 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.717 -6.447 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.180 -7.101 -1.218 1.00 0.00 H new ATOM 334 N GLN A 26 -5.481 -5.270 1.548 1.00 0.00 N ATOM 335 CA GLN A 26 -6.290 -4.239 2.179 1.00 0.00 C ATOM 336 C GLN A 26 -5.390 -3.085 2.621 1.00 0.00 C ATOM 337 O GLN A 26 -4.619 -3.253 3.565 1.00 0.00 O ATOM 338 CB GLN A 26 -7.002 -4.858 3.387 1.00 0.00 C ATOM 339 CG GLN A 26 -7.773 -6.111 2.964 1.00 0.00 C ATOM 340 CD GLN A 26 -8.673 -6.631 4.081 1.00 0.00 C ATOM 341 OE1 GLN A 26 -8.443 -7.704 4.626 1.00 0.00 O ATOM 342 NE2 GLN A 26 -9.710 -5.876 4.436 1.00 0.00 N ATOM 0 H GLN A 26 -4.863 -5.748 2.204 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.030 -3.850 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.273 -5.114 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.687 -4.132 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.378 -5.885 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.068 -6.890 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.878 -4.987 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.336 -6.187 5.179 1.00 0.00 H new ATOM 349 N GLY A 27 -5.471 -1.919 1.968 1.00 0.00 N ATOM 350 CA GLY A 27 -4.544 -0.833 2.253 1.00 0.00 C ATOM 351 C GLY A 27 -5.031 0.529 1.765 1.00 0.00 C ATOM 352 O GLY A 27 -6.189 0.685 1.377 1.00 0.00 O ATOM 0 H GLY A 27 -6.163 -1.711 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.373 -0.785 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.584 -1.054 1.788 1.00 0.00 H new ATOM 356 N LYS A 28 -4.142 1.523 1.792 1.00 0.00 N ATOM 357 CA LYS A 28 -4.409 2.898 1.397 1.00 0.00 C ATOM 358 C LYS A 28 -3.073 3.604 1.246 1.00 0.00 C ATOM 359 O LYS A 28 -2.146 3.319 2.002 1.00 0.00 O ATOM 360 CB LYS A 28 -5.307 3.571 2.452 1.00 0.00 C ATOM 361 CG LYS A 28 -5.399 5.101 2.314 1.00 0.00 C ATOM 362 CD LYS A 28 -6.382 5.730 3.312 1.00 0.00 C ATOM 363 CE LYS A 28 -7.837 5.254 3.165 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.333 5.372 1.778 1.00 0.00 N ATOM 0 H LYS A 28 -3.181 1.382 2.102 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.941 2.946 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.310 3.150 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.928 3.328 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.410 5.535 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.708 5.352 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.042 5.510 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.355 6.813 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.910 4.215 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.476 5.839 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.341 5.120 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.211 6.351 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.796 4.729 1.161 1.00 0.00 H new ATOM 374 N CYS A 29 -2.958 4.490 0.251 1.00 0.00 N ATOM 375 CA CYS A 29 -1.700 5.174 0.011 1.00 0.00 C ATOM 376 C CYS A 29 -1.627 6.413 0.893 1.00 0.00 C ATOM 377 O CYS A 29 -2.655 7.011 1.216 1.00 0.00 O ATOM 378 CB CYS A 29 -1.430 5.502 -1.459 1.00 0.00 C ATOM 379 SG CYS A 29 -1.480 7.216 -2.015 1.00 0.00 S ATOM 0 H CYS A 29 -3.712 4.742 -0.388 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.902 4.482 0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.444 5.109 -1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.153 4.945 -2.055 1.00 0.00 H new ATOM 383 N GLN A 30 -0.416 6.783 1.293 1.00 0.00 N ATOM 384 CA GLN A 30 -0.111 7.985 2.038 1.00 0.00 C ATOM 385 C GLN A 30 0.773 8.808 1.115 1.00 0.00 C ATOM 386 O GLN A 30 1.899 8.402 0.872 1.00 0.00 O ATOM 387 CB GLN A 30 0.670 7.591 3.299 1.00 0.00 C ATOM 388 CG GLN A 30 0.754 8.715 4.338 1.00 0.00 C ATOM 389 CD GLN A 30 -0.476 8.722 5.240 1.00 0.00 C ATOM 390 OE1 GLN A 30 -0.598 7.882 6.132 1.00 0.00 O ATOM 391 NE2 GLN A 30 -1.396 9.658 5.021 1.00 0.00 N ATOM 0 H GLN A 30 0.413 6.223 1.095 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.000 8.537 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.197 6.721 3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.679 7.293 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.652 8.589 4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.843 9.676 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.263 10.339 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.234 9.695 5.601 1.00 0.00 H new ATOM 398 N ASN A 31 0.307 9.941 0.597 1.00 0.00 N ATOM 399 CA ASN A 31 1.136 10.875 -0.157 1.00 0.00 C ATOM 400 C ASN A 31 1.649 10.197 -1.436 1.00 0.00 C ATOM 401 O ASN A 31 0.948 10.191 -2.444 1.00 0.00 O ATOM 402 CB ASN A 31 2.246 11.438 0.754 1.00 0.00 C ATOM 403 CG ASN A 31 1.714 12.382 1.830 1.00 0.00 C ATOM 404 OD1 ASN A 31 0.555 12.308 2.229 1.00 0.00 O ATOM 405 ND2 ASN A 31 2.564 13.273 2.334 1.00 0.00 N ATOM 0 H ASN A 31 -0.664 10.239 0.690 1.00 0.00 H new ATOM 0 HA ASN A 31 0.553 11.735 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.771 10.611 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.976 11.968 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.257 13.912 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.522 13.317 1.987 1.00 0.00 H new ATOM 411 N ASN A 32 2.836 9.589 -1.374 1.00 0.00 N ATOM 412 CA ASN A 32 3.370 8.639 -2.354 1.00 0.00 C ATOM 413 C ASN A 32 4.244 7.635 -1.606 1.00 0.00 C ATOM 414 O ASN A 32 5.417 7.430 -1.905 1.00 0.00 O ATOM 415 CB ASN A 32 4.138 9.307 -3.501 1.00 0.00 C ATOM 416 CG ASN A 32 3.352 10.361 -4.200 1.00 0.00 C ATOM 417 OD1 ASN A 32 3.511 11.558 -3.979 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.418 9.913 -4.984 1.00 0.00 N ATOM 0 H ASN A 32 3.482 9.753 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 32 2.533 8.136 -2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.054 9.747 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.434 8.546 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.782 10.565 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.321 8.910 -5.140 1.00 0.00 H new ATOM 424 N GLN A 33 3.621 7.023 -0.613 1.00 0.00 N ATOM 425 CA GLN A 33 4.034 5.918 0.221 1.00 0.00 C ATOM 426 C GLN A 33 2.746 5.113 0.396 1.00 0.00 C ATOM 427 O GLN A 33 1.694 5.556 -0.081 1.00 0.00 O ATOM 428 CB GLN A 33 4.545 6.465 1.563 1.00 0.00 C ATOM 429 CG GLN A 33 5.899 7.179 1.456 1.00 0.00 C ATOM 430 CD GLN A 33 5.818 8.694 1.273 1.00 0.00 C ATOM 431 OE1 GLN A 33 4.839 9.254 0.783 1.00 0.00 O ATOM 432 NE2 GLN A 33 6.870 9.392 1.693 1.00 0.00 N ATOM 0 H GLN A 33 2.689 7.336 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 33 4.841 5.315 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.808 7.159 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.632 5.642 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.476 6.967 2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.451 6.756 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.673 8.910 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.873 10.409 1.611 1.00 0.00 H new ATOM 439 N CYS A 34 2.752 3.952 1.052 1.00 0.00 N ATOM 440 CA CYS A 34 1.566 3.109 1.052 1.00 0.00 C ATOM 441 C CYS A 34 1.453 2.345 2.348 1.00 0.00 C ATOM 442 O CYS A 34 2.440 2.184 3.053 1.00 0.00 O ATOM 443 CB CYS A 34 1.586 2.185 -0.163 1.00 0.00 C ATOM 444 SG CYS A 34 0.607 2.452 -1.650 1.00 0.00 S ATOM 0 H CYS A 34 3.546 3.584 1.577 1.00 0.00 H new ATOM 0 HA CYS A 34 0.678 3.737 0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.625 2.133 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.317 1.194 0.204 1.00 0.00 H new ATOM 448 N ARG A 35 0.234 1.943 2.701 1.00 0.00 N ATOM 449 CA ARG A 35 -0.051 1.368 4.001 1.00 0.00 C ATOM 450 C ARG A 35 -1.008 0.214 3.830 1.00 0.00 C ATOM 451 O ARG A 35 -1.782 0.189 2.874 1.00 0.00 O ATOM 452 CB ARG A 35 -0.603 2.435 4.956 1.00 0.00 C ATOM 453 CG ARG A 35 0.438 3.549 5.049 1.00 0.00 C ATOM 454 CD ARG A 35 0.078 4.710 5.963 1.00 0.00 C ATOM 455 NE ARG A 35 0.236 4.257 7.327 1.00 0.00 N ATOM 456 CZ ARG A 35 0.199 5.031 8.423 1.00 0.00 C ATOM 457 NH1 ARG A 35 -0.106 6.331 8.314 1.00 0.00 N ATOM 458 NH2 ARG A 35 0.477 4.506 9.619 1.00 0.00 N ATOM 0 H ARG A 35 -0.580 2.009 2.089 1.00 0.00 H new ATOM 0 HA ARG A 35 0.869 0.991 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.551 2.826 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.796 2.007 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.377 3.116 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.616 3.940 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.723 5.566 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.947 5.035 5.784 1.00 0.00 H new ATOM 0 HE ARG A 35 0.390 3.259 7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.310 6.732 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.134 6.920 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.717 3.518 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.449 5.093 10.453 1.00 0.00 H new ATOM 469 N CYS A 36 -0.918 -0.741 4.754 1.00 0.00 N ATOM 470 CA CYS A 36 -1.648 -2.001 4.648 1.00 0.00 C ATOM 471 C CYS A 36 -2.120 -2.470 6.018 1.00 0.00 C ATOM 472 O CYS A 36 -1.412 -2.292 7.005 1.00 0.00 O ATOM 473 CB CYS A 36 -0.817 -3.079 3.948 1.00 0.00 C ATOM 474 SG CYS A 36 -1.722 -4.634 3.731 1.00 0.00 S ATOM 0 H CYS A 36 -0.341 -0.663 5.591 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.528 -1.822 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.499 -2.710 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.087 -3.268 4.527 1.00 0.00 H new ATOM 478 N TYR A 37 -3.330 -3.029 6.064 1.00 0.00 N ATOM 479 CA TYR A 37 -4.069 -3.369 7.268 1.00 0.00 C ATOM 480 C TYR A 37 -4.052 -4.885 7.477 1.00 0.00 C ATOM 481 O TYR A 37 -4.500 -5.373 8.514 1.00 0.00 O ATOM 482 CB TYR A 37 -5.493 -2.820 7.098 1.00 0.00 C ATOM 483 CG TYR A 37 -6.443 -3.107 8.242 1.00 0.00 C ATOM 484 CD1 TYR A 37 -6.240 -2.497 9.497 1.00 0.00 C ATOM 485 CD2 TYR A 37 -7.525 -3.988 8.060 1.00 0.00 C ATOM 486 CE1 TYR A 37 -7.117 -2.768 10.560 1.00 0.00 C ATOM 487 CE2 TYR A 37 -8.404 -4.253 9.123 1.00 0.00 C ATOM 488 CZ TYR A 37 -8.198 -3.649 10.374 1.00 0.00 C ATOM 489 OH TYR A 37 -9.058 -3.908 11.398 1.00 0.00 O ATOM 0 H TYR A 37 -3.843 -3.267 5.215 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.618 -2.927 8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.433 -1.740 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.917 -3.235 6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.410 -1.821 9.641 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.680 -4.461 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.961 -2.300 11.521 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.239 -4.922 8.978 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.746 -4.537 11.096 1.00 0.00 H new TER 498 TYR A 37