USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.308 K(o=-0.31,f=-14!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0585 K(o=-0.059,f=-0.63) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 14:sc= -4.43! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.145 K(o=0.14,f=-2.9!) USER MOD Single : A 44 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 134:sc= 0.627 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 -6.906 -11.168 0.450 1.00 0.00 N ATOM 28 CA PRO A 2 -8.169 -10.460 0.673 1.00 0.00 C ATOM 29 C PRO A 2 -8.663 -9.760 -0.589 1.00 0.00 C ATOM 30 O PRO A 2 -7.875 -9.409 -1.466 1.00 0.00 O ATOM 31 CB PRO A 2 -7.837 -9.426 1.755 1.00 0.00 C ATOM 32 CG PRO A 2 -6.525 -9.844 2.329 1.00 0.00 C ATOM 33 CD PRO A 2 -5.806 -10.594 1.242 1.00 0.00 C ATOM 0 HA PRO A 2 -8.965 -11.146 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.777 -8.423 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.610 -9.402 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.948 -8.977 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.668 -10.474 3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.180 -9.933 0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.155 -11.368 1.649 1.00 0.00 H new ATOM 41 N ASP A 3 -9.973 -9.559 -0.677 1.00 0.00 N ATOM 42 CA ASP A 3 -10.568 -8.903 -1.837 1.00 0.00 C ATOM 43 C ASP A 3 -9.878 -7.576 -2.145 1.00 0.00 C ATOM 44 O ASP A 3 -9.463 -7.332 -3.279 1.00 0.00 O ATOM 45 CB ASP A 3 -12.066 -8.674 -1.611 1.00 0.00 C ATOM 46 CG ASP A 3 -12.356 -7.926 -0.323 1.00 0.00 C ATOM 47 OD1 ASP A 3 -11.549 -8.033 0.623 1.00 0.00 O ATOM 48 OD2 ASP A 3 -13.392 -7.232 -0.262 1.00 0.00 O ATOM 0 H ASP A 3 -10.643 -9.840 0.039 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.431 -9.562 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.475 -8.113 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.578 -9.636 -1.591 1.00 0.00 H new ATOM 53 N PHE A 4 -9.758 -6.718 -1.136 1.00 0.00 N ATOM 54 CA PHE A 4 -9.130 -5.420 -1.305 1.00 0.00 C ATOM 55 C PHE A 4 -7.698 -5.545 -1.823 1.00 0.00 C ATOM 56 O PHE A 4 -7.191 -4.643 -2.486 1.00 0.00 O ATOM 57 CB PHE A 4 -9.156 -4.661 0.020 1.00 0.00 C ATOM 58 CG PHE A 4 -8.260 -5.237 1.081 1.00 0.00 C ATOM 59 CD1 PHE A 4 -6.902 -4.960 1.091 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.780 -6.048 2.076 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.080 -5.482 2.073 1.00 0.00 C ATOM 62 CE2 PHE A 4 -7.964 -6.573 3.059 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.613 -6.290 3.059 1.00 0.00 C ATOM 0 H PHE A 4 -10.091 -6.904 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.696 -4.865 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.866 -3.626 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.179 -4.644 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.481 -4.329 0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.836 -6.273 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.023 -5.259 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.383 -7.205 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.974 -6.699 3.828 1.00 0.00 H new ATOM 73 N CYS A 5 -7.049 -6.668 -1.532 1.00 0.00 N ATOM 74 CA CYS A 5 -5.679 -6.886 -1.988 1.00 0.00 C ATOM 75 C CYS A 5 -5.577 -6.768 -3.509 1.00 0.00 C ATOM 76 O CYS A 5 -4.489 -6.571 -4.052 1.00 0.00 O ATOM 77 CB CYS A 5 -5.180 -8.260 -1.534 1.00 0.00 C ATOM 78 SG CYS A 5 -3.479 -8.646 -2.050 1.00 0.00 S ATOM 0 H CYS A 5 -7.444 -7.435 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.051 -6.114 -1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.239 -8.314 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.849 -9.025 -1.928 1.00 0.00 H new ATOM 83 N LEU A 6 -6.714 -6.887 -4.194 1.00 0.00 N ATOM 84 CA LEU A 6 -6.744 -6.796 -5.651 1.00 0.00 C ATOM 85 C LEU A 6 -6.931 -5.357 -6.133 1.00 0.00 C ATOM 86 O LEU A 6 -7.350 -5.134 -7.269 1.00 0.00 O ATOM 87 CB LEU A 6 -7.868 -7.672 -6.211 1.00 0.00 C ATOM 88 CG LEU A 6 -7.917 -9.098 -5.662 1.00 0.00 C ATOM 89 CD1 LEU A 6 -9.151 -9.825 -6.177 1.00 0.00 C ATOM 90 CD2 LEU A 6 -6.653 -9.857 -6.036 1.00 0.00 C ATOM 0 H LEU A 6 -7.625 -7.046 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.780 -7.150 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.822 -7.187 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.763 -7.720 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.977 -9.047 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.170 -10.839 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.047 -9.292 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.121 -9.866 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.705 -10.870 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.561 -9.899 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.785 -9.347 -5.618 1.00 0.00 H new ATOM 102 N GLU A 7 -6.619 -4.379 -5.283 1.00 0.00 N ATOM 103 CA GLU A 7 -6.759 -2.975 -5.666 1.00 0.00 C ATOM 104 C GLU A 7 -5.419 -2.239 -5.555 1.00 0.00 C ATOM 105 O GLU A 7 -4.771 -2.264 -4.509 1.00 0.00 O ATOM 106 CB GLU A 7 -7.828 -2.279 -4.812 1.00 0.00 C ATOM 107 CG GLU A 7 -7.446 -2.101 -3.350 1.00 0.00 C ATOM 108 CD GLU A 7 -7.463 -0.648 -2.915 1.00 0.00 C ATOM 109 OE1 GLU A 7 -8.399 0.078 -3.311 1.00 0.00 O ATOM 110 OE2 GLU A 7 -6.543 -0.238 -2.176 1.00 0.00 O ATOM 0 H GLU A 7 -6.272 -4.530 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.079 -2.944 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.038 -1.300 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.751 -2.856 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.135 -2.671 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.451 -2.514 -3.186 1.00 0.00 H new ATOM 117 N PRO A 8 -4.979 -1.579 -6.647 1.00 0.00 N ATOM 118 CA PRO A 8 -3.707 -0.843 -6.671 1.00 0.00 C ATOM 119 C PRO A 8 -3.587 0.180 -5.543 1.00 0.00 C ATOM 120 O PRO A 8 -4.551 0.441 -4.824 1.00 0.00 O ATOM 121 CB PRO A 8 -3.728 -0.136 -8.030 1.00 0.00 C ATOM 122 CG PRO A 8 -4.638 -0.958 -8.874 1.00 0.00 C ATOM 123 CD PRO A 8 -5.682 -1.505 -7.943 1.00 0.00 C ATOM 0 HA PRO A 8 -2.858 -1.512 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.092 0.887 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.729 -0.082 -8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.093 -0.355 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.093 -1.764 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.554 -0.854 -7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.035 -2.485 -8.266 1.00 0.00 H new ATOM 131 N PRO A 9 -2.394 0.787 -5.386 1.00 0.00 N ATOM 132 CA PRO A 9 -2.142 1.793 -4.345 1.00 0.00 C ATOM 133 C PRO A 9 -2.819 3.124 -4.647 1.00 0.00 C ATOM 134 O PRO A 9 -3.334 3.335 -5.745 1.00 0.00 O ATOM 135 CB PRO A 9 -0.621 1.949 -4.378 1.00 0.00 C ATOM 136 CG PRO A 9 -0.255 1.641 -5.786 1.00 0.00 C ATOM 137 CD PRO A 9 -1.195 0.549 -6.216 1.00 0.00 C ATOM 0 HA PRO A 9 -2.537 1.489 -3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.318 2.958 -4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.135 1.266 -3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.360 2.521 -6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.783 1.317 -5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.423 0.611 -7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.772 -0.440 -6.038 1.00 0.00 H new ATOM 145 N TYR A 10 -2.813 4.021 -3.665 1.00 0.00 N ATOM 146 CA TYR A 10 -3.424 5.337 -3.828 1.00 0.00 C ATOM 147 C TYR A 10 -2.743 6.371 -2.937 1.00 0.00 C ATOM 148 O TYR A 10 -3.128 6.573 -1.786 1.00 0.00 O ATOM 149 CB TYR A 10 -4.918 5.273 -3.519 1.00 0.00 C ATOM 150 CG TYR A 10 -5.714 6.409 -4.119 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.892 6.506 -5.494 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.280 7.388 -3.313 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.612 7.548 -6.048 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.003 8.432 -3.859 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.165 8.507 -5.227 1.00 0.00 C ATOM 156 OH TYR A 10 -7.882 9.547 -5.775 1.00 0.00 O ATOM 0 H TYR A 10 -2.393 3.861 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.293 5.644 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.316 4.328 -3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.056 5.276 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.461 5.755 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.153 7.333 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.740 7.610 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.439 9.185 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.205 10.134 -5.060 1.00 0.00 H new ATOM 166 N THR A 11 -1.728 7.023 -3.493 1.00 0.00 N ATOM 167 CA THR A 11 -0.968 8.046 -2.782 1.00 0.00 C ATOM 168 C THR A 11 -1.803 9.311 -2.576 1.00 0.00 C ATOM 169 O THR A 11 -1.512 10.119 -1.696 1.00 0.00 O ATOM 170 CB THR A 11 0.288 8.385 -3.589 1.00 0.00 C ATOM 171 OG1 THR A 11 1.090 7.234 -3.774 1.00 0.00 O ATOM 172 CG2 THR A 11 1.157 9.446 -2.953 1.00 0.00 C ATOM 0 H THR A 11 -1.409 6.858 -4.448 1.00 0.00 H new ATOM 0 HA THR A 11 -0.693 7.659 -1.801 1.00 0.00 H new ATOM 0 HB THR A 11 -0.085 8.772 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.887 7.471 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.026 9.631 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.585 10.368 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.487 9.106 -1.971 1.00 0.00 H new ATOM 180 N GLY A 12 -2.841 9.476 -3.393 1.00 0.00 N ATOM 181 CA GLY A 12 -3.690 10.628 -3.288 1.00 0.00 C ATOM 182 C GLY A 12 -2.952 11.927 -3.559 1.00 0.00 C ATOM 183 O GLY A 12 -1.791 12.075 -3.180 1.00 0.00 O ATOM 0 H GLY A 12 -3.102 8.820 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.516 10.531 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.125 10.664 -2.289 1.00 0.00 H new ATOM 187 N PRO A 13 -3.608 12.897 -4.223 1.00 0.00 N ATOM 188 CA PRO A 13 -2.989 14.189 -4.541 1.00 0.00 C ATOM 189 C PRO A 13 -2.772 15.052 -3.305 1.00 0.00 C ATOM 190 O PRO A 13 -3.598 15.902 -2.975 1.00 0.00 O ATOM 191 CB PRO A 13 -3.999 14.845 -5.485 1.00 0.00 C ATOM 192 CG PRO A 13 -5.306 14.225 -5.131 1.00 0.00 C ATOM 193 CD PRO A 13 -4.998 12.814 -4.711 1.00 0.00 C ATOM 0 HA PRO A 13 -1.997 14.068 -4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.024 15.926 -5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.743 14.661 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.792 14.774 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.987 14.239 -5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.677 12.470 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.090 12.118 -5.545 1.00 0.00 H new ATOM 201 N CYS A 14 -1.652 14.826 -2.626 1.00 0.00 N ATOM 202 CA CYS A 14 -1.314 15.583 -1.425 1.00 0.00 C ATOM 203 C CYS A 14 0.162 15.958 -1.424 1.00 0.00 C ATOM 204 O CYS A 14 0.918 15.549 -2.303 1.00 0.00 O ATOM 205 CB CYS A 14 -1.675 14.789 -0.169 1.00 0.00 C ATOM 206 SG CYS A 14 -3.423 14.950 0.316 1.00 0.00 S ATOM 0 H CYS A 14 -0.961 14.123 -2.888 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.897 16.504 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.448 13.736 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.045 15.123 0.656 1.00 0.00 H new ATOM 211 N ARG A 15 0.553 16.772 -0.452 1.00 0.00 N ATOM 212 CA ARG A 15 1.934 17.240 -0.355 1.00 0.00 C ATOM 213 C ARG A 15 2.647 16.690 0.881 1.00 0.00 C ATOM 214 O ARG A 15 3.216 17.448 1.668 1.00 0.00 O ATOM 215 CB ARG A 15 1.964 18.770 -0.340 1.00 0.00 C ATOM 216 CG ARG A 15 3.053 19.364 -1.218 1.00 0.00 C ATOM 217 CD ARG A 15 3.655 20.612 -0.592 1.00 0.00 C ATOM 218 NE ARG A 15 4.744 21.156 -1.400 1.00 0.00 N ATOM 219 CZ ARG A 15 4.559 21.891 -2.494 1.00 0.00 C ATOM 220 NH1 ARG A 15 3.331 22.177 -2.910 1.00 0.00 N ATOM 221 NH2 ARG A 15 5.605 22.343 -3.172 1.00 0.00 N ATOM 0 H ARG A 15 -0.064 17.123 0.281 1.00 0.00 H new ATOM 0 HA ARG A 15 2.468 16.868 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.996 19.148 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.107 19.113 0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.836 18.623 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.640 19.610 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.879 21.368 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.026 20.375 0.405 1.00 0.00 H new ATOM 0 HE ARG A 15 5.702 20.961 -1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.523 21.833 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.195 22.741 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.550 22.127 -2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.464 22.906 -4.011 1.00 0.00 H new ATOM 235 N VAL A 16 2.633 15.370 1.033 1.00 0.00 N ATOM 236 CA VAL A 16 3.303 14.720 2.158 1.00 0.00 C ATOM 237 C VAL A 16 4.304 13.682 1.643 1.00 0.00 C ATOM 238 O VAL A 16 4.439 13.494 0.434 1.00 0.00 O ATOM 239 CB VAL A 16 2.298 14.043 3.122 1.00 0.00 C ATOM 240 CG1 VAL A 16 2.930 13.830 4.490 1.00 0.00 C ATOM 241 CG2 VAL A 16 1.020 14.865 3.254 1.00 0.00 C ATOM 0 H VAL A 16 2.166 14.728 0.393 1.00 0.00 H new ATOM 0 HA VAL A 16 3.827 15.495 2.717 1.00 0.00 H new ATOM 0 HB VAL A 16 2.035 13.073 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.209 13.353 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.808 13.192 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.227 14.792 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.334 14.364 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.262 15.854 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.549 14.965 2.276 1.00 0.00 H new ATOM 251 N ARG A 17 5.023 13.030 2.554 1.00 0.00 N ATOM 252 CA ARG A 17 6.019 12.029 2.173 1.00 0.00 C ATOM 253 C ARG A 17 5.968 10.827 3.114 1.00 0.00 C ATOM 254 O ARG A 17 6.716 10.763 4.091 1.00 0.00 O ATOM 255 CB ARG A 17 7.422 12.640 2.194 1.00 0.00 C ATOM 256 CG ARG A 17 7.572 13.865 1.304 1.00 0.00 C ATOM 257 CD ARG A 17 8.942 13.912 0.649 1.00 0.00 C ATOM 258 NE ARG A 17 9.272 15.250 0.165 1.00 0.00 N ATOM 259 CZ ARG A 17 10.242 15.503 -0.711 1.00 0.00 C ATOM 260 NH1 ARG A 17 10.980 14.514 -1.200 1.00 0.00 N ATOM 261 NH2 ARG A 17 10.476 16.749 -1.099 1.00 0.00 N ATOM 0 H ARG A 17 4.935 13.176 3.560 1.00 0.00 H new ATOM 0 HA ARG A 17 5.789 11.692 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.673 12.914 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.142 11.884 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.800 13.854 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.419 14.767 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.697 13.589 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.970 13.208 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 17 8.727 16.037 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.805 13.553 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.722 14.715 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.913 17.513 -0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.219 16.943 -1.770 1.00 0.00 H new ATOM 275 N ILE A 18 5.093 9.871 2.809 1.00 0.00 N ATOM 276 CA ILE A 18 4.951 8.674 3.629 1.00 0.00 C ATOM 277 C ILE A 18 5.334 7.427 2.836 1.00 0.00 C ATOM 278 O ILE A 18 4.966 7.286 1.679 1.00 0.00 O ATOM 279 CB ILE A 18 3.502 8.534 4.142 1.00 0.00 C ATOM 280 CG1 ILE A 18 3.091 9.807 4.895 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.362 7.304 5.026 1.00 0.00 C ATOM 282 CD1 ILE A 18 1.842 9.655 5.740 1.00 0.00 C ATOM 0 H ILE A 18 4.473 9.904 2.000 1.00 0.00 H new ATOM 0 HA ILE A 18 5.623 8.772 4.482 1.00 0.00 H new ATOM 0 HB ILE A 18 2.835 8.406 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.915 10.117 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.932 10.607 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.333 7.224 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.621 6.413 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.032 7.393 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.622 10.600 6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.003 9.377 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.001 8.879 6.489 1.00 0.00 H new ATOM 294 N ILE A 19 6.082 6.527 3.456 1.00 0.00 N ATOM 295 CA ILE A 19 6.500 5.309 2.780 1.00 0.00 C ATOM 296 C ILE A 19 5.595 4.143 3.160 1.00 0.00 C ATOM 297 O ILE A 19 5.877 3.408 4.107 1.00 0.00 O ATOM 298 CB ILE A 19 7.963 4.957 3.121 1.00 0.00 C ATOM 299 CG1 ILE A 19 8.903 6.063 2.643 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.357 3.618 2.508 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.150 7.137 3.681 1.00 0.00 C ATOM 0 H ILE A 19 6.410 6.616 4.418 1.00 0.00 H new ATOM 0 HA ILE A 19 6.423 5.488 1.707 1.00 0.00 H new ATOM 0 HB ILE A 19 8.049 4.872 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.857 5.620 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.484 6.523 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.393 3.392 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.708 2.834 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.253 3.669 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.826 7.889 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.204 7.607 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.598 6.689 4.568 1.00 0.00 H new ATOM 313 N ARG A 20 4.510 3.978 2.414 1.00 0.00 N ATOM 314 CA ARG A 20 3.565 2.899 2.675 1.00 0.00 C ATOM 315 C ARG A 20 3.876 1.682 1.815 1.00 0.00 C ATOM 316 O ARG A 20 4.725 1.740 0.927 1.00 0.00 O ATOM 317 CB ARG A 20 2.133 3.364 2.415 1.00 0.00 C ATOM 318 CG ARG A 20 1.827 4.735 2.987 1.00 0.00 C ATOM 319 CD ARG A 20 1.722 4.697 4.502 1.00 0.00 C ATOM 320 NE ARG A 20 0.709 3.748 4.957 1.00 0.00 N ATOM 321 CZ ARG A 20 -0.415 4.093 5.587 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.689 5.370 5.834 1.00 0.00 N ATOM 323 NH2 ARG A 20 -1.272 3.157 5.968 1.00 0.00 N ATOM 0 H ARG A 20 4.263 4.576 1.625 1.00 0.00 H new ATOM 0 HA ARG A 20 3.662 2.618 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.955 3.380 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.441 2.638 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.609 5.435 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.892 5.105 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.689 4.426 4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.479 5.692 4.874 1.00 0.00 H new ATOM 0 HE ARG A 20 0.872 2.756 4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.037 6.097 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.552 5.622 6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.072 2.175 5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.132 3.419 6.450 1.00 0.00 H new ATOM 337 N TYR A 21 3.194 0.577 2.102 1.00 0.00 N ATOM 338 CA TYR A 21 3.393 -0.666 1.376 1.00 0.00 C ATOM 339 C TYR A 21 2.080 -1.149 0.762 1.00 0.00 C ATOM 340 O TYR A 21 1.003 -0.859 1.278 1.00 0.00 O ATOM 341 CB TYR A 21 3.924 -1.722 2.341 1.00 0.00 C ATOM 342 CG TYR A 21 5.309 -1.428 2.871 1.00 0.00 C ATOM 343 CD1 TYR A 21 5.495 -0.531 3.913 1.00 0.00 C ATOM 344 CD2 TYR A 21 6.427 -2.053 2.334 1.00 0.00 C ATOM 345 CE1 TYR A 21 6.756 -0.262 4.406 1.00 0.00 C ATOM 346 CE2 TYR A 21 7.692 -1.789 2.821 1.00 0.00 C ATOM 347 CZ TYR A 21 7.851 -0.893 3.857 1.00 0.00 C ATOM 348 OH TYR A 21 9.110 -0.630 4.346 1.00 0.00 O ATOM 0 H TYR A 21 2.493 0.521 2.840 1.00 0.00 H new ATOM 0 HA TYR A 21 4.108 -0.497 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.236 -1.811 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.937 -2.688 1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.639 -0.035 4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.305 -2.756 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.884 0.439 5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.552 -2.282 2.393 1.00 0.00 H new ATOM 0 HH TYR A 21 9.770 -1.158 3.850 1.00 0.00 H new ATOM 358 N PHE A 22 2.172 -1.903 -0.328 1.00 0.00 N ATOM 359 CA PHE A 22 0.981 -2.440 -0.986 1.00 0.00 C ATOM 360 C PHE A 22 1.310 -3.724 -1.729 1.00 0.00 C ATOM 361 O PHE A 22 2.471 -4.112 -1.834 1.00 0.00 O ATOM 362 CB PHE A 22 0.377 -1.426 -1.956 1.00 0.00 C ATOM 363 CG PHE A 22 1.122 -1.307 -3.255 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.352 -0.673 -3.310 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.594 -1.842 -4.421 1.00 0.00 C ATOM 366 CE1 PHE A 22 3.043 -0.573 -4.502 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.279 -1.742 -5.616 1.00 0.00 C ATOM 368 CZ PHE A 22 2.506 -1.109 -5.657 1.00 0.00 C ATOM 0 H PHE A 22 3.053 -2.157 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 22 0.248 -2.654 -0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.655 -1.708 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.349 -0.449 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.776 -0.252 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.363 -2.342 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.002 -0.077 -4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.856 -2.159 -6.518 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.045 -1.033 -6.590 1.00 0.00 H new ATOM 378 N TYR A 23 0.278 -4.371 -2.250 1.00 0.00 N ATOM 379 CA TYR A 23 0.451 -5.622 -2.992 1.00 0.00 C ATOM 380 C TYR A 23 0.387 -5.386 -4.500 1.00 0.00 C ATOM 381 O TYR A 23 -0.697 -5.310 -5.079 1.00 0.00 O ATOM 382 CB TYR A 23 -0.624 -6.629 -2.585 1.00 0.00 C ATOM 383 CG TYR A 23 -0.485 -7.959 -3.287 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.532 -8.842 -2.943 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.359 -8.329 -4.300 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.671 -10.056 -3.589 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.226 -9.541 -4.950 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.211 -10.400 -4.592 1.00 0.00 C ATOM 389 OH TYR A 23 -0.075 -11.607 -5.238 1.00 0.00 O ATOM 0 H TYR A 23 -0.689 -4.055 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 23 1.436 -6.021 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.577 -6.787 -1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.607 -6.211 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.225 -8.575 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.156 -7.658 -4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.466 -10.732 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.915 -9.814 -5.736 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.776 -11.696 -5.917 1.00 0.00 H new ATOM 399 N ASN A 24 1.553 -5.291 -5.137 1.00 0.00 N ATOM 400 CA ASN A 24 1.620 -5.083 -6.576 1.00 0.00 C ATOM 401 C ASN A 24 1.152 -6.337 -7.314 1.00 0.00 C ATOM 402 O ASN A 24 1.688 -7.426 -7.107 1.00 0.00 O ATOM 403 CB ASN A 24 3.052 -4.721 -6.970 1.00 0.00 C ATOM 404 CG ASN A 24 3.170 -4.286 -8.420 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.144 -5.113 -9.331 1.00 0.00 O ATOM 406 ND2 ASN A 24 3.307 -2.985 -8.641 1.00 0.00 N ATOM 0 H ASN A 24 2.461 -5.355 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 24 0.960 -4.262 -6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.410 -3.919 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.700 -5.581 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.396 -2.636 -9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.324 -2.333 -7.856 1.00 0.00 H new ATOM 413 N ALA A 25 0.136 -6.181 -8.163 1.00 0.00 N ATOM 414 CA ALA A 25 -0.418 -7.307 -8.914 1.00 0.00 C ATOM 415 C ALA A 25 0.352 -7.575 -10.207 1.00 0.00 C ATOM 416 O ALA A 25 -0.129 -8.293 -11.083 1.00 0.00 O ATOM 417 CB ALA A 25 -1.887 -7.058 -9.221 1.00 0.00 C ATOM 0 H ALA A 25 -0.319 -5.287 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.321 -8.195 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.290 -7.902 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.439 -6.944 -8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.986 -6.149 -9.815 1.00 0.00 H new ATOM 423 N LYS A 26 1.552 -7.018 -10.312 1.00 0.00 N ATOM 424 CA LYS A 26 2.395 -7.216 -11.487 1.00 0.00 C ATOM 425 C LYS A 26 3.594 -8.071 -11.108 1.00 0.00 C ATOM 426 O LYS A 26 4.009 -8.955 -11.857 1.00 0.00 O ATOM 427 CB LYS A 26 2.860 -5.869 -12.047 1.00 0.00 C ATOM 428 CG LYS A 26 2.489 -5.658 -13.506 1.00 0.00 C ATOM 429 CD LYS A 26 3.558 -4.871 -14.245 1.00 0.00 C ATOM 430 CE LYS A 26 3.600 -3.422 -13.787 1.00 0.00 C ATOM 431 NZ LYS A 26 4.133 -2.520 -14.844 1.00 0.00 N ATOM 0 H LYS A 26 1.966 -6.423 -9.595 1.00 0.00 H new ATOM 0 HA LYS A 26 1.818 -7.724 -12.259 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.426 -5.067 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.942 -5.795 -11.941 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.348 -6.624 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.538 -5.129 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.531 -5.334 -14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.364 -4.909 -15.317 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.597 -3.101 -13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.220 -3.341 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.145 -1.542 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.100 -2.810 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.527 -2.577 -15.687 1.00 0.00 H new ATOM 445 N ALA A 27 4.124 -7.809 -9.920 1.00 0.00 N ATOM 446 CA ALA A 27 5.257 -8.555 -9.399 1.00 0.00 C ATOM 447 C ALA A 27 4.804 -9.516 -8.302 1.00 0.00 C ATOM 448 O ALA A 27 5.590 -10.326 -7.812 1.00 0.00 O ATOM 449 CB ALA A 27 6.318 -7.603 -8.869 1.00 0.00 C ATOM 0 H ALA A 27 3.782 -7.078 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 27 5.691 -9.139 -10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.161 -8.176 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.660 -6.954 -9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.895 -6.995 -8.069 1.00 0.00 H new ATOM 455 N GLY A 28 3.525 -9.425 -7.925 1.00 0.00 N ATOM 456 CA GLY A 28 2.988 -10.288 -6.911 1.00 0.00 C ATOM 457 C GLY A 28 3.630 -10.107 -5.556 1.00 0.00 C ATOM 458 O GLY A 28 3.376 -10.871 -4.625 1.00 0.00 O ATOM 0 H GLY A 28 2.858 -8.760 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.917 -10.107 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.111 -11.324 -7.226 1.00 0.00 H new ATOM 462 N LEU A 29 4.467 -9.099 -5.458 1.00 0.00 N ATOM 463 CA LEU A 29 5.172 -8.797 -4.220 1.00 0.00 C ATOM 464 C LEU A 29 4.705 -7.469 -3.635 1.00 0.00 C ATOM 465 O LEU A 29 3.996 -6.703 -4.292 1.00 0.00 O ATOM 466 CB LEU A 29 6.682 -8.753 -4.468 1.00 0.00 C ATOM 467 CG LEU A 29 7.290 -10.051 -5.008 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.734 -9.828 -5.429 1.00 0.00 C ATOM 469 CD2 LEU A 29 7.202 -11.154 -3.964 1.00 0.00 C ATOM 0 H LEU A 29 4.682 -8.464 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 29 4.948 -9.587 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.895 -7.949 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.181 -8.498 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 29 6.721 -10.360 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.150 -10.761 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.772 -9.068 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.316 -9.495 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.638 -12.069 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.747 -10.853 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.157 -11.331 -3.709 1.00 0.00 H new ATOM 481 N CYS A 30 5.104 -7.203 -2.397 1.00 0.00 N ATOM 482 CA CYS A 30 4.725 -5.977 -1.723 1.00 0.00 C ATOM 483 C CYS A 30 5.737 -4.870 -1.995 1.00 0.00 C ATOM 484 O CYS A 30 6.923 -5.009 -1.692 1.00 0.00 O ATOM 485 CB CYS A 30 4.607 -6.230 -0.221 1.00 0.00 C ATOM 486 SG CYS A 30 2.928 -6.678 0.330 1.00 0.00 S ATOM 0 H CYS A 30 5.692 -7.825 -1.842 1.00 0.00 H new ATOM 0 HA CYS A 30 3.759 -5.652 -2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.294 -7.029 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.926 -5.335 0.313 1.00 0.00 H new ATOM 491 N GLN A 31 5.259 -3.766 -2.559 1.00 0.00 N ATOM 492 CA GLN A 31 6.120 -2.631 -2.868 1.00 0.00 C ATOM 493 C GLN A 31 5.716 -1.408 -2.052 1.00 0.00 C ATOM 494 O GLN A 31 4.644 -1.382 -1.444 1.00 0.00 O ATOM 495 CB GLN A 31 6.062 -2.310 -4.362 1.00 0.00 C ATOM 496 CG GLN A 31 6.226 -3.530 -5.254 1.00 0.00 C ATOM 497 CD GLN A 31 7.114 -3.260 -6.453 1.00 0.00 C ATOM 498 OE1 GLN A 31 7.207 -2.129 -6.930 1.00 0.00 O ATOM 499 NE2 GLN A 31 7.770 -4.303 -6.950 1.00 0.00 N ATOM 0 H GLN A 31 4.280 -3.633 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 31 7.143 -2.898 -2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.108 -1.833 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.843 -1.588 -4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.648 -4.348 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.245 -3.858 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.663 -5.223 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.380 -4.184 -7.759 1.00 0.00 H new ATOM 508 N THR A 32 6.580 -0.398 -2.036 1.00 0.00 N ATOM 509 CA THR A 32 6.311 0.823 -1.280 1.00 0.00 C ATOM 510 C THR A 32 6.051 2.016 -2.195 1.00 0.00 C ATOM 511 O THR A 32 6.334 1.972 -3.392 1.00 0.00 O ATOM 512 CB THR A 32 7.486 1.141 -0.350 1.00 0.00 C ATOM 513 OG1 THR A 32 8.485 1.877 -1.033 1.00 0.00 O ATOM 514 CG2 THR A 32 8.147 -0.090 0.234 1.00 0.00 C ATOM 0 H THR A 32 7.469 -0.399 -2.535 1.00 0.00 H new ATOM 0 HA THR A 32 5.411 0.646 -0.692 1.00 0.00 H new ATOM 0 HB THR A 32 7.052 1.721 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.225 2.071 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.970 0.212 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.417 -0.655 0.814 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.531 -0.714 -0.573 1.00 0.00 H new ATOM 522 N PHE A 33 5.511 3.086 -1.611 1.00 0.00 N ATOM 523 CA PHE A 33 5.223 4.309 -2.359 1.00 0.00 C ATOM 524 C PHE A 33 5.175 5.521 -1.426 1.00 0.00 C ATOM 525 O PHE A 33 4.990 5.385 -0.214 1.00 0.00 O ATOM 526 CB PHE A 33 3.919 4.186 -3.163 1.00 0.00 C ATOM 527 CG PHE A 33 2.738 3.652 -2.393 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.788 2.415 -1.769 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.572 4.393 -2.306 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.698 1.932 -1.074 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.479 3.914 -1.610 1.00 0.00 C ATOM 532 CZ PHE A 33 0.543 2.682 -0.994 1.00 0.00 C ATOM 0 H PHE A 33 5.264 3.130 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 33 6.035 4.457 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.661 5.168 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.099 3.535 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.689 1.823 -1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.516 5.358 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.749 0.967 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.424 4.503 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.310 2.305 -0.450 1.00 0.00 H new ATOM 542 N VAL A 34 5.376 6.705 -2.005 1.00 0.00 N ATOM 543 CA VAL A 34 5.396 7.956 -1.248 1.00 0.00 C ATOM 544 C VAL A 34 3.992 8.503 -1.011 1.00 0.00 C ATOM 545 O VAL A 34 3.612 9.536 -1.564 1.00 0.00 O ATOM 546 CB VAL A 34 6.238 9.022 -1.972 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.397 10.260 -1.102 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.595 8.455 -2.360 1.00 0.00 C ATOM 0 H VAL A 34 5.529 6.823 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 34 5.845 7.729 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 34 5.717 9.314 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.995 11.002 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.415 10.677 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.895 9.989 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.177 9.222 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.125 8.134 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.456 7.602 -3.024 1.00 0.00 H new ATOM 558 N TYR A 35 3.246 7.818 -0.157 1.00 0.00 N ATOM 559 CA TYR A 35 1.885 8.218 0.196 1.00 0.00 C ATOM 560 C TYR A 35 1.876 9.641 0.773 1.00 0.00 C ATOM 561 O TYR A 35 2.652 9.954 1.675 1.00 0.00 O ATOM 562 CB TYR A 35 1.307 7.221 1.207 1.00 0.00 C ATOM 563 CG TYR A 35 -0.005 7.645 1.820 1.00 0.00 C ATOM 564 CD1 TYR A 35 -0.871 8.477 1.145 1.00 0.00 C ATOM 565 CD2 TYR A 35 -0.361 7.216 3.081 1.00 0.00 C ATOM 566 CE1 TYR A 35 -2.061 8.871 1.713 1.00 0.00 C ATOM 567 CE2 TYR A 35 -1.549 7.604 3.656 1.00 0.00 C ATOM 568 CZ TYR A 35 -2.393 8.431 2.968 1.00 0.00 C ATOM 569 OH TYR A 35 -3.580 8.817 3.543 1.00 0.00 O ATOM 0 H TYR A 35 3.563 6.970 0.312 1.00 0.00 H new ATOM 0 HA TYR A 35 1.266 8.215 -0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.169 6.259 0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.034 7.068 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.612 8.825 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.305 6.564 3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.730 9.524 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.813 7.258 4.644 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.162 9.211 2.860 1.00 0.00 H new ATOM 579 N GLY A 36 1.014 10.508 0.236 1.00 0.00 N ATOM 580 CA GLY A 36 0.968 11.887 0.703 1.00 0.00 C ATOM 581 C GLY A 36 -0.109 12.183 1.741 1.00 0.00 C ATOM 582 O GLY A 36 -0.659 13.277 1.761 1.00 0.00 O ATOM 0 H GLY A 36 0.353 10.282 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.939 12.143 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.812 12.540 -0.156 1.00 0.00 H new ATOM 586 N GLY A 37 -0.393 11.235 2.623 1.00 0.00 N ATOM 587 CA GLY A 37 -1.378 11.466 3.666 1.00 0.00 C ATOM 588 C GLY A 37 -2.732 11.921 3.172 1.00 0.00 C ATOM 589 O GLY A 37 -3.535 12.452 3.940 1.00 0.00 O ATOM 0 H GLY A 37 0.039 10.311 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.506 10.545 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.988 12.215 4.355 1.00 0.00 H new ATOM 593 N CYS A 38 -2.997 11.701 1.903 1.00 0.00 N ATOM 594 CA CYS A 38 -4.279 12.066 1.322 1.00 0.00 C ATOM 595 C CYS A 38 -5.364 11.120 1.807 1.00 0.00 C ATOM 596 O CYS A 38 -5.176 10.374 2.764 1.00 0.00 O ATOM 597 CB CYS A 38 -4.196 12.059 -0.205 1.00 0.00 C ATOM 598 SG CYS A 38 -4.397 13.705 -0.961 1.00 0.00 S ATOM 0 H CYS A 38 -2.343 11.270 1.249 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.534 13.076 1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.233 11.647 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.964 11.393 -0.598 1.00 0.00 H new ATOM 603 N ARG A 39 -6.508 11.197 1.155 1.00 0.00 N ATOM 604 CA ARG A 39 -7.674 10.397 1.489 1.00 0.00 C ATOM 605 C ARG A 39 -7.328 8.971 1.939 1.00 0.00 C ATOM 606 O ARG A 39 -8.098 8.342 2.665 1.00 0.00 O ATOM 607 CB ARG A 39 -8.632 10.344 0.297 1.00 0.00 C ATOM 608 CG ARG A 39 -10.097 10.461 0.688 1.00 0.00 C ATOM 609 CD ARG A 39 -10.935 9.362 0.057 1.00 0.00 C ATOM 610 NE ARG A 39 -10.839 8.106 0.797 1.00 0.00 N ATOM 611 CZ ARG A 39 -11.699 7.100 0.664 1.00 0.00 C ATOM 612 NH1 ARG A 39 -12.721 7.197 -0.178 1.00 0.00 N ATOM 613 NH2 ARG A 39 -11.539 5.991 1.375 1.00 0.00 N ATOM 0 H ARG A 39 -6.657 11.826 0.366 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.151 10.887 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.384 11.149 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.481 9.407 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.189 10.412 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.480 11.434 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.977 9.679 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.609 9.203 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.067 7.994 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.850 8.047 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.377 6.422 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.756 5.910 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.199 5.220 1.273 1.00 0.00 H new ATOM 627 N ALA A 40 -6.176 8.463 1.509 1.00 0.00 N ATOM 628 CA ALA A 40 -5.749 7.117 1.876 1.00 0.00 C ATOM 629 C ALA A 40 -6.712 6.062 1.337 1.00 0.00 C ATOM 630 O ALA A 40 -7.917 6.297 1.244 1.00 0.00 O ATOM 631 CB ALA A 40 -5.623 6.998 3.388 1.00 0.00 C ATOM 0 H ALA A 40 -5.522 8.963 0.907 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.773 6.939 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.304 5.989 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.887 7.716 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.588 7.204 3.851 1.00 0.00 H new ATOM 637 N LYS A 41 -6.168 4.899 0.985 1.00 0.00 N ATOM 638 CA LYS A 41 -6.978 3.805 0.457 1.00 0.00 C ATOM 639 C LYS A 41 -6.935 2.596 1.392 1.00 0.00 C ATOM 640 O LYS A 41 -6.496 2.702 2.537 1.00 0.00 O ATOM 641 CB LYS A 41 -6.489 3.408 -0.940 1.00 0.00 C ATOM 642 CG LYS A 41 -7.210 4.119 -2.074 1.00 0.00 C ATOM 643 CD LYS A 41 -8.707 3.852 -2.067 1.00 0.00 C ATOM 644 CE LYS A 41 -9.452 4.867 -2.919 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.751 6.117 -2.165 1.00 0.00 N ATOM 0 H LYS A 41 -5.172 4.691 1.056 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.010 4.149 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.422 3.618 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.611 2.332 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.035 5.192 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.791 3.796 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.901 2.847 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.081 3.889 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.856 5.108 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.383 4.427 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.259 6.782 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.341 5.891 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.861 6.552 -1.847 1.00 0.00 H new ATOM 659 N ARG A 42 -7.407 1.452 0.900 1.00 0.00 N ATOM 660 CA ARG A 42 -7.437 0.225 1.693 1.00 0.00 C ATOM 661 C ARG A 42 -6.148 -0.576 1.530 1.00 0.00 C ATOM 662 O ARG A 42 -5.680 -1.214 2.474 1.00 0.00 O ATOM 663 CB ARG A 42 -8.637 -0.634 1.279 1.00 0.00 C ATOM 664 CG ARG A 42 -9.898 0.177 1.023 1.00 0.00 C ATOM 665 CD ARG A 42 -11.114 -0.716 0.829 1.00 0.00 C ATOM 666 NE ARG A 42 -11.334 -1.041 -0.580 1.00 0.00 N ATOM 667 CZ ARG A 42 -12.531 -1.059 -1.167 1.00 0.00 C ATOM 668 NH1 ARG A 42 -13.630 -0.782 -0.474 1.00 0.00 N ATOM 669 NH2 ARG A 42 -12.630 -1.361 -2.454 1.00 0.00 N ATOM 0 H ARG A 42 -7.775 1.349 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.531 0.505 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.382 -1.191 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.837 -1.367 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.073 0.852 1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.758 0.798 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.982 -1.637 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.997 -0.218 1.229 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.519 -1.268 -1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.563 -0.552 0.518 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.540 -0.799 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.792 -1.579 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.544 -1.376 -2.906 1.00 0.00 H new ATOM 683 N ASN A 43 -5.588 -0.563 0.325 1.00 0.00 N ATOM 684 CA ASN A 43 -4.360 -1.302 0.055 1.00 0.00 C ATOM 685 C ASN A 43 -3.139 -0.420 0.263 1.00 0.00 C ATOM 686 O ASN A 43 -2.398 -0.127 -0.676 1.00 0.00 O ATOM 687 CB ASN A 43 -4.374 -1.866 -1.369 1.00 0.00 C ATOM 688 CG ASN A 43 -3.403 -3.020 -1.558 1.00 0.00 C ATOM 689 OD1 ASN A 43 -2.399 -3.133 -0.852 1.00 0.00 O ATOM 690 ND2 ASN A 43 -3.702 -3.890 -2.517 1.00 0.00 N ATOM 0 H ASN A 43 -5.962 -0.053 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.304 -2.133 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.382 -2.203 -1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.126 -1.071 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.090 -4.688 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.543 -3.760 -3.079 1.00 0.00 H new ATOM 697 N ASN A 44 -2.948 0.010 1.504 1.00 0.00 N ATOM 698 CA ASN A 44 -1.822 0.865 1.857 1.00 0.00 C ATOM 699 C ASN A 44 -1.399 0.637 3.316 1.00 0.00 C ATOM 700 O ASN A 44 -1.965 1.208 4.247 1.00 0.00 O ATOM 701 CB ASN A 44 -2.174 2.338 1.567 1.00 0.00 C ATOM 702 CG ASN A 44 -2.549 3.157 2.788 1.00 0.00 C ATOM 703 OD1 ASN A 44 -3.505 2.843 3.498 1.00 0.00 O ATOM 704 ND2 ASN A 44 -1.799 4.227 3.028 1.00 0.00 N ATOM 0 H ASN A 44 -3.561 -0.221 2.286 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.962 0.604 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.322 2.811 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.003 2.366 0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.006 4.826 3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.016 4.449 2.413 1.00 0.00 H new ATOM 711 N PHE A 45 -0.398 -0.218 3.503 1.00 0.00 N ATOM 712 CA PHE A 45 0.104 -0.537 4.836 1.00 0.00 C ATOM 713 C PHE A 45 1.207 0.428 5.242 1.00 0.00 C ATOM 714 O PHE A 45 1.810 1.089 4.397 1.00 0.00 O ATOM 715 CB PHE A 45 0.636 -1.972 4.878 1.00 0.00 C ATOM 716 CG PHE A 45 -0.220 -2.944 4.119 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.375 -3.459 4.685 1.00 0.00 C ATOM 718 CD2 PHE A 45 0.120 -3.327 2.833 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.175 -4.339 3.981 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.674 -4.210 2.124 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.823 -4.716 2.698 1.00 0.00 C ATOM 0 H PHE A 45 0.083 -0.704 2.746 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.724 -0.441 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.646 -1.990 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.708 -2.295 5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.653 -3.170 5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.016 -2.932 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.074 -4.732 4.432 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.395 -4.503 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.446 -5.405 2.146 1.00 0.00 H new ATOM 731 N LYS A 46 1.470 0.502 6.539 1.00 0.00 N ATOM 732 CA LYS A 46 2.506 1.387 7.056 1.00 0.00 C ATOM 733 C LYS A 46 3.853 0.675 7.128 1.00 0.00 C ATOM 734 O LYS A 46 4.895 1.317 7.269 1.00 0.00 O ATOM 735 CB LYS A 46 2.118 1.906 8.441 1.00 0.00 C ATOM 736 CG LYS A 46 1.048 2.987 8.407 1.00 0.00 C ATOM 737 CD LYS A 46 1.134 3.893 9.623 1.00 0.00 C ATOM 738 CE LYS A 46 0.137 3.481 10.695 1.00 0.00 C ATOM 739 NZ LYS A 46 0.600 3.858 12.060 1.00 0.00 N ATOM 0 H LYS A 46 0.981 -0.039 7.252 1.00 0.00 H new ATOM 0 HA LYS A 46 2.599 2.229 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.762 1.072 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.006 2.301 8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.159 3.582 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.062 2.524 8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.144 3.861 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.944 4.924 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.826 3.952 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.020 2.403 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.108 3.560 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.506 3.389 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.725 4.889 12.112 1.00 0.00 H new ATOM 753 N SER A 47 3.836 -0.654 7.030 1.00 0.00 N ATOM 754 CA SER A 47 5.068 -1.430 7.090 1.00 0.00 C ATOM 755 C SER A 47 4.988 -2.688 6.234 1.00 0.00 C ATOM 756 O SER A 47 3.907 -3.232 5.995 1.00 0.00 O ATOM 757 CB SER A 47 5.385 -1.811 8.537 1.00 0.00 C ATOM 758 OG SER A 47 4.260 -1.617 9.377 1.00 0.00 O ATOM 0 H SER A 47 2.989 -1.209 6.910 1.00 0.00 H new ATOM 0 HA SER A 47 5.867 -0.803 6.693 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.699 -2.854 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.220 -1.211 8.899 1.00 0.00 H new ATOM 0 HG SER A 47 4.490 -1.870 10.295 1.00 0.00 H new ATOM 764 N ALA A 48 6.151 -3.150 5.786 1.00 0.00 N ATOM 765 CA ALA A 48 6.233 -4.350 4.966 1.00 0.00 C ATOM 766 C ALA A 48 5.637 -5.546 5.697 1.00 0.00 C ATOM 767 O ALA A 48 5.103 -6.463 5.074 1.00 0.00 O ATOM 768 CB ALA A 48 7.678 -4.629 4.582 1.00 0.00 C ATOM 0 H ALA A 48 7.051 -2.709 5.978 1.00 0.00 H new ATOM 0 HA ALA A 48 5.655 -4.184 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.724 -5.529 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.074 -3.785 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.273 -4.773 5.484 1.00 0.00 H new ATOM 774 N GLU A 49 5.728 -5.527 7.025 1.00 0.00 N ATOM 775 CA GLU A 49 5.190 -6.611 7.838 1.00 0.00 C ATOM 776 C GLU A 49 3.674 -6.656 7.721 1.00 0.00 C ATOM 777 O GLU A 49 3.089 -7.718 7.511 1.00 0.00 O ATOM 778 CB GLU A 49 5.610 -6.444 9.301 1.00 0.00 C ATOM 779 CG GLU A 49 6.302 -7.669 9.877 1.00 0.00 C ATOM 780 CD GLU A 49 6.381 -7.637 11.390 1.00 0.00 C ATOM 781 OE1 GLU A 49 5.368 -7.283 12.029 1.00 0.00 O ATOM 782 OE2 GLU A 49 7.455 -7.966 11.936 1.00 0.00 O ATOM 0 H GLU A 49 6.167 -4.776 7.557 1.00 0.00 H new ATOM 0 HA GLU A 49 5.595 -7.554 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.278 -5.587 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.728 -6.219 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.766 -8.565 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.309 -7.740 9.466 1.00 0.00 H new ATOM 789 N ASP A 50 3.039 -5.492 7.835 1.00 0.00 N ATOM 790 CA ASP A 50 1.591 -5.409 7.713 1.00 0.00 C ATOM 791 C ASP A 50 1.177 -5.885 6.329 1.00 0.00 C ATOM 792 O ASP A 50 0.178 -6.586 6.168 1.00 0.00 O ATOM 793 CB ASP A 50 1.112 -3.974 7.946 1.00 0.00 C ATOM 794 CG ASP A 50 0.552 -3.770 9.340 1.00 0.00 C ATOM 795 OD1 ASP A 50 -0.609 -4.165 9.579 1.00 0.00 O ATOM 796 OD2 ASP A 50 1.274 -3.215 10.195 1.00 0.00 O ATOM 0 H ASP A 50 3.503 -4.601 8.010 1.00 0.00 H new ATOM 0 HA ASP A 50 1.131 -6.046 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.943 -3.286 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.347 -3.725 7.210 1.00 0.00 H new ATOM 801 N CYS A 51 1.980 -5.517 5.335 1.00 0.00 N ATOM 802 CA CYS A 51 1.734 -5.917 3.958 1.00 0.00 C ATOM 803 C CYS A 51 1.764 -7.431 3.854 1.00 0.00 C ATOM 804 O CYS A 51 0.765 -8.070 3.522 1.00 0.00 O ATOM 805 CB CYS A 51 2.814 -5.332 3.050 1.00 0.00 C ATOM 806 SG CYS A 51 2.283 -5.034 1.332 1.00 0.00 S ATOM 0 H CYS A 51 2.811 -4.939 5.461 1.00 0.00 H new ATOM 0 HA CYS A 51 0.757 -5.547 3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.159 -4.391 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.668 -6.010 3.040 1.00 0.00 H new ATOM 811 N LEU A 52 2.925 -7.998 4.158 1.00 0.00 N ATOM 812 CA LEU A 52 3.100 -9.443 4.114 1.00 0.00 C ATOM 813 C LEU A 52 2.045 -10.129 4.971 1.00 0.00 C ATOM 814 O LEU A 52 1.601 -11.235 4.669 1.00 0.00 O ATOM 815 CB LEU A 52 4.502 -9.831 4.591 1.00 0.00 C ATOM 816 CG LEU A 52 5.638 -9.458 3.638 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.988 -9.693 4.298 1.00 0.00 C ATOM 818 CD2 LEU A 52 5.531 -10.252 2.345 1.00 0.00 C ATOM 0 H LEU A 52 3.758 -7.480 4.437 1.00 0.00 H new ATOM 0 HA LEU A 52 2.983 -9.772 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.686 -9.355 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.527 -10.908 4.758 1.00 0.00 H new ATOM 0 HG LEU A 52 5.552 -8.398 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.784 -9.422 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.065 -9.081 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.083 -10.745 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.347 -9.974 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.590 -11.318 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.578 -10.034 1.862 1.00 0.00 H new ATOM 830 N ARG A 53 1.629 -9.452 6.033 1.00 0.00 N ATOM 831 CA ARG A 53 0.606 -9.989 6.914 1.00 0.00 C ATOM 832 C ARG A 53 -0.733 -10.020 6.191 1.00 0.00 C ATOM 833 O ARG A 53 -1.563 -10.897 6.430 1.00 0.00 O ATOM 834 CB ARG A 53 0.500 -9.144 8.186 1.00 0.00 C ATOM 835 CG ARG A 53 -0.238 -9.839 9.320 1.00 0.00 C ATOM 836 CD ARG A 53 -0.299 -8.966 10.563 1.00 0.00 C ATOM 837 NE ARG A 53 0.722 -9.332 11.542 1.00 0.00 N ATOM 838 CZ ARG A 53 0.598 -10.340 12.404 1.00 0.00 C ATOM 839 NH1 ARG A 53 -0.500 -11.086 12.409 1.00 0.00 N ATOM 840 NH2 ARG A 53 1.573 -10.602 13.261 1.00 0.00 N ATOM 0 H ARG A 53 1.983 -8.534 6.303 1.00 0.00 H new ATOM 0 HA ARG A 53 0.882 -11.005 7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.503 -8.883 8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.010 -8.210 7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.249 -10.088 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.261 -10.779 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.170 -7.922 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.285 -9.053 11.019 1.00 0.00 H new ATOM 0 HE ARG A 53 1.581 -8.783 11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.254 -10.889 11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.590 -11.857 13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.419 -10.032 13.261 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.478 -11.374 13.921 1.00 0.00 H new ATOM 854 N THR A 54 -0.933 -9.055 5.293 1.00 0.00 N ATOM 855 CA THR A 54 -2.170 -8.965 4.526 1.00 0.00 C ATOM 856 C THR A 54 -2.139 -9.880 3.300 1.00 0.00 C ATOM 857 O THR A 54 -2.999 -10.747 3.146 1.00 0.00 O ATOM 858 CB THR A 54 -2.419 -7.515 4.101 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.652 -6.703 5.237 1.00 0.00 O ATOM 860 CG2 THR A 54 -3.605 -7.355 3.172 1.00 0.00 C ATOM 0 H THR A 54 -0.252 -8.326 5.081 1.00 0.00 H new ATOM 0 HA THR A 54 -2.987 -9.297 5.166 1.00 0.00 H new ATOM 0 HB THR A 54 -1.520 -7.208 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.128 -5.878 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.724 -6.303 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.438 -7.937 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.508 -7.709 3.670 1.00 0.00 H new ATOM 868 N CYS A 55 -1.166 -9.672 2.414 1.00 0.00 N ATOM 869 CA CYS A 55 -1.069 -10.469 1.200 1.00 0.00 C ATOM 870 C CYS A 55 0.343 -11.011 0.984 1.00 0.00 C ATOM 871 O CYS A 55 0.801 -11.131 -0.152 1.00 0.00 O ATOM 872 CB CYS A 55 -1.488 -9.606 0.017 1.00 0.00 C ATOM 873 SG CYS A 55 -2.961 -10.209 -0.866 1.00 0.00 S ATOM 0 H CYS A 55 -0.440 -8.963 2.516 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.730 -11.331 1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.680 -8.593 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.657 -9.545 -0.686 1.00 0.00 H new