USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 274 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0774 K(o=-0.077,f=-0.73) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.5!) USER MOD Single : A 15 GLN : amide:sc= -6.37! C(o=-6.4!,f=-8.2!) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.171) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -150:sc= -1.65 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 133:sc= -0.167 (180deg=-0.723) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0808 K(o=-0.081,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.865 0.654 -0.410 1.00 0.00 N ATOM 2 CA GLU A 1 2.078 0.093 -0.993 1.00 0.00 C ATOM 3 C GLU A 1 1.754 -1.117 -1.864 1.00 0.00 C ATOM 4 O GLU A 1 0.991 -1.998 -1.464 1.00 0.00 O ATOM 5 CB GLU A 1 3.062 -0.307 0.109 1.00 0.00 C ATOM 6 CG GLU A 1 3.920 0.845 0.606 1.00 0.00 C ATOM 7 CD GLU A 1 4.838 0.440 1.743 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.336 -0.124 2.738 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.057 0.686 1.638 1.00 0.00 O ATOM 0 H1 GLU A 1 1.110 1.476 0.178 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.220 0.952 -1.170 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.398 -0.065 0.178 1.00 0.00 H new ATOM 0 HA GLU A 1 2.536 0.858 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.505 -0.723 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.712 -1.098 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.518 1.230 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.274 1.658 0.938 1.00 0.00 H new ATOM 16 N CYS A 2 2.337 -1.153 -3.057 1.00 0.00 N ATOM 17 CA CYS A 2 2.111 -2.253 -3.987 1.00 0.00 C ATOM 18 C CYS A 2 2.881 -3.498 -3.554 1.00 0.00 C ATOM 19 O CYS A 2 4.079 -3.434 -3.276 1.00 0.00 O ATOM 20 CB CYS A 2 2.529 -1.847 -5.401 1.00 0.00 C ATOM 21 SG CYS A 2 2.109 -0.128 -5.836 1.00 0.00 S ATOM 0 H CYS A 2 2.970 -0.432 -3.403 1.00 0.00 H new ATOM 0 HA CYS A 2 1.046 -2.486 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.606 -1.984 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.053 -2.518 -6.116 1.00 0.00 H new ATOM 26 N LEU A 3 2.185 -4.628 -3.501 1.00 0.00 N ATOM 27 CA LEU A 3 2.803 -5.889 -3.104 1.00 0.00 C ATOM 28 C LEU A 3 2.914 -6.839 -4.291 1.00 0.00 C ATOM 29 O LEU A 3 2.015 -7.639 -4.544 1.00 0.00 O ATOM 30 CB LEU A 3 1.993 -6.546 -1.985 1.00 0.00 C ATOM 31 CG LEU A 3 1.130 -5.607 -1.141 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.054 -6.357 -0.550 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.960 -4.965 -0.039 1.00 0.00 C ATOM 0 H LEU A 3 1.193 -4.697 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 3 3.808 -5.674 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.345 -7.302 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.683 -7.067 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 3 0.748 -4.817 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.657 -5.673 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.663 -6.768 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.308 -7.168 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.329 -4.300 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.372 -5.742 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.774 -4.393 -0.483 1.00 0.00 H new ATOM 45 N GLU A 4 4.026 -6.745 -5.015 1.00 0.00 N ATOM 46 CA GLU A 4 4.255 -7.598 -6.176 1.00 0.00 C ATOM 47 C GLU A 4 5.032 -8.852 -5.784 1.00 0.00 C ATOM 48 O GLU A 4 5.033 -9.846 -6.511 1.00 0.00 O ATOM 49 CB GLU A 4 5.015 -6.831 -7.259 1.00 0.00 C ATOM 50 CG GLU A 4 6.458 -6.527 -6.890 1.00 0.00 C ATOM 51 CD GLU A 4 7.444 -7.039 -7.923 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.718 -6.304 -8.895 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.940 -8.173 -7.760 1.00 0.00 O ATOM 0 H GLU A 4 4.781 -6.088 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 4 3.285 -7.901 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.999 -7.411 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.495 -5.894 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.581 -5.450 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.684 -6.976 -5.923 1.00 0.00 H new ATOM 60 N ILE A 5 5.692 -8.796 -4.633 1.00 0.00 N ATOM 61 CA ILE A 5 6.473 -9.926 -4.145 1.00 0.00 C ATOM 62 C ILE A 5 5.571 -10.999 -3.544 1.00 0.00 C ATOM 63 O ILE A 5 5.984 -12.145 -3.368 1.00 0.00 O ATOM 64 CB ILE A 5 7.502 -9.485 -3.087 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.296 -10.691 -2.581 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.805 -8.781 -1.932 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.924 -11.508 -3.689 1.00 0.00 C ATOM 0 H ILE A 5 5.702 -7.980 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 5 7.002 -10.338 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 5 8.198 -8.784 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.080 -10.344 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.635 -11.332 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.545 -8.475 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.280 -7.902 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.090 -9.461 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.471 -12.346 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.144 -11.885 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.610 -10.882 -4.259 1.00 0.00 H new ATOM 79 N PHE A 6 4.336 -10.619 -3.232 1.00 0.00 N ATOM 80 CA PHE A 6 3.374 -11.549 -2.652 1.00 0.00 C ATOM 81 C PHE A 6 3.138 -11.236 -1.177 1.00 0.00 C ATOM 82 O PHE A 6 2.833 -12.127 -0.383 1.00 0.00 O ATOM 83 CB PHE A 6 3.867 -12.989 -2.807 1.00 0.00 C ATOM 84 CG PHE A 6 4.659 -13.482 -1.630 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.509 -12.629 -0.945 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.552 -14.797 -1.209 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.240 -13.081 0.138 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.280 -15.254 -0.126 1.00 0.00 C ATOM 89 CZ PHE A 6 6.124 -14.395 0.549 1.00 0.00 C ATOM 0 H PHE A 6 3.978 -9.674 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 6 2.430 -11.437 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.009 -13.644 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.482 -13.059 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.602 -11.600 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.892 -15.473 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.901 -12.407 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.188 -16.282 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.692 -14.749 1.396 1.00 0.00 H new ATOM 99 N LYS A 7 3.281 -9.965 -0.817 1.00 0.00 N ATOM 100 CA LYS A 7 3.083 -9.533 0.561 1.00 0.00 C ATOM 101 C LYS A 7 1.601 -9.522 0.920 1.00 0.00 C ATOM 102 O LYS A 7 0.756 -9.167 0.099 1.00 0.00 O ATOM 103 CB LYS A 7 3.680 -8.140 0.771 1.00 0.00 C ATOM 104 CG LYS A 7 4.434 -7.991 2.081 1.00 0.00 C ATOM 105 CD LYS A 7 5.879 -8.442 1.947 1.00 0.00 C ATOM 106 CE LYS A 7 6.657 -8.210 3.233 1.00 0.00 C ATOM 107 NZ LYS A 7 8.098 -7.942 2.970 1.00 0.00 N ATOM 0 H LYS A 7 3.534 -9.216 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 7 3.592 -10.242 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.355 -7.915 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.879 -7.402 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.405 -6.950 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.939 -8.577 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.908 -9.501 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.356 -7.901 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.224 -7.368 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.562 -9.084 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.593 -7.789 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.518 -8.756 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.191 -7.093 2.376 1.00 0.00 H new ATOM 121 N ALA A 8 1.293 -9.911 2.153 1.00 0.00 N ATOM 122 CA ALA A 8 -0.087 -9.942 2.622 1.00 0.00 C ATOM 123 C ALA A 8 -0.809 -8.640 2.292 1.00 0.00 C ATOM 124 O ALA A 8 -0.457 -7.577 2.804 1.00 0.00 O ATOM 125 CB ALA A 8 -0.130 -10.207 4.119 1.00 0.00 C ATOM 0 H ALA A 8 1.981 -10.209 2.845 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.602 -10.753 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.167 -10.227 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.340 -11.167 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.406 -9.416 4.644 1.00 0.00 H new ATOM 131 N CYS A 9 -1.818 -8.730 1.433 1.00 0.00 N ATOM 132 CA CYS A 9 -2.589 -7.558 1.033 1.00 0.00 C ATOM 133 C CYS A 9 -3.798 -7.366 1.944 1.00 0.00 C ATOM 134 O CYS A 9 -4.370 -8.333 2.446 1.00 0.00 O ATOM 135 CB CYS A 9 -3.048 -7.696 -0.420 1.00 0.00 C ATOM 136 SG CYS A 9 -4.854 -7.823 -0.621 1.00 0.00 S ATOM 0 H CYS A 9 -2.121 -9.602 1.000 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.946 -6.682 1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.690 -6.836 -0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.582 -8.580 -0.855 1.00 0.00 H new ATOM 141 N ASN A 10 -4.182 -6.111 2.151 1.00 0.00 N ATOM 142 CA ASN A 10 -5.323 -5.791 3.001 1.00 0.00 C ATOM 143 C ASN A 10 -6.610 -5.729 2.184 1.00 0.00 C ATOM 144 O ASN A 10 -6.607 -5.391 1.000 1.00 0.00 O ATOM 145 CB ASN A 10 -5.095 -4.458 3.717 1.00 0.00 C ATOM 146 CG ASN A 10 -4.338 -4.623 5.020 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.604 -5.544 5.793 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.388 -3.729 5.270 1.00 0.00 N ATOM 0 H ASN A 10 -3.720 -5.299 1.742 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.423 -6.582 3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.541 -3.787 3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.057 -3.987 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.845 -3.789 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.202 -2.982 4.601 1.00 0.00 H new ATOM 155 N PRO A 11 -7.738 -6.061 2.830 1.00 0.00 N ATOM 156 CA PRO A 11 -9.053 -6.049 2.183 1.00 0.00 C ATOM 157 C PRO A 11 -9.533 -4.636 1.870 1.00 0.00 C ATOM 158 O PRO A 11 -10.048 -4.372 0.784 1.00 0.00 O ATOM 159 CB PRO A 11 -9.965 -6.706 3.223 1.00 0.00 C ATOM 160 CG PRO A 11 -9.292 -6.458 4.528 1.00 0.00 C ATOM 161 CD PRO A 11 -7.815 -6.473 4.242 1.00 0.00 C ATOM 0 HA PRO A 11 -9.039 -6.563 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.964 -6.271 3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.078 -7.773 3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.598 -5.500 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.556 -7.225 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.273 -5.786 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.386 -7.463 4.396 1.00 0.00 H new ATOM 169 N SER A 12 -9.360 -3.731 2.828 1.00 0.00 N ATOM 170 CA SER A 12 -9.779 -2.345 2.656 1.00 0.00 C ATOM 171 C SER A 12 -8.601 -1.470 2.237 1.00 0.00 C ATOM 172 O SER A 12 -8.681 -0.729 1.259 1.00 0.00 O ATOM 173 CB SER A 12 -10.391 -1.810 3.951 1.00 0.00 C ATOM 174 OG SER A 12 -11.568 -2.522 4.291 1.00 0.00 O ATOM 0 H SER A 12 -8.932 -3.933 3.732 1.00 0.00 H new ATOM 0 HA SER A 12 -10.531 -2.314 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.666 -1.892 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.623 -0.751 3.837 1.00 0.00 H new ATOM 0 HG SER A 12 -11.939 -2.162 5.124 1.00 0.00 H new ATOM 180 N ASN A 13 -7.507 -1.564 2.986 1.00 0.00 N ATOM 181 CA ASN A 13 -6.312 -0.780 2.694 1.00 0.00 C ATOM 182 C ASN A 13 -5.693 -1.207 1.366 1.00 0.00 C ATOM 183 O ASN A 13 -4.855 -2.107 1.321 1.00 0.00 O ATOM 184 CB ASN A 13 -5.287 -0.936 3.820 1.00 0.00 C ATOM 185 CG ASN A 13 -5.435 0.131 4.888 1.00 0.00 C ATOM 186 OD1 ASN A 13 -6.210 1.075 4.734 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.690 -0.015 5.977 1.00 0.00 N ATOM 0 H ASN A 13 -7.423 -2.175 3.799 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.604 0.268 2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.398 -1.920 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.282 -0.890 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.746 0.671 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.061 -0.814 6.061 1.00 0.00 H new ATOM 194 N ASP A 14 -6.112 -0.553 0.288 1.00 0.00 N ATOM 195 CA ASP A 14 -5.599 -0.863 -1.041 1.00 0.00 C ATOM 196 C ASP A 14 -4.074 -0.817 -1.059 1.00 0.00 C ATOM 197 O ASP A 14 -3.475 0.250 -0.923 1.00 0.00 O ATOM 198 CB ASP A 14 -6.163 0.118 -2.070 1.00 0.00 C ATOM 199 CG ASP A 14 -5.876 -0.310 -3.496 1.00 0.00 C ATOM 200 OD1 ASP A 14 -5.420 -1.456 -3.690 1.00 0.00 O ATOM 201 OD2 ASP A 14 -6.106 0.502 -4.417 1.00 0.00 O ATOM 0 H ASP A 14 -6.805 0.195 0.309 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.917 -1.873 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.240 0.207 -1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.736 1.106 -1.897 1.00 0.00 H new ATOM 206 N GLN A 15 -3.454 -1.980 -1.225 1.00 0.00 N ATOM 207 CA GLN A 15 -1.999 -2.072 -1.259 1.00 0.00 C ATOM 208 C GLN A 15 -1.498 -2.256 -2.687 1.00 0.00 C ATOM 209 O GLN A 15 -0.799 -1.397 -3.226 1.00 0.00 O ATOM 210 CB GLN A 15 -1.520 -3.233 -0.384 1.00 0.00 C ATOM 211 CG GLN A 15 -1.449 -2.890 1.095 1.00 0.00 C ATOM 212 CD GLN A 15 -0.485 -3.781 1.854 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.801 -4.927 2.175 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.700 -3.257 2.146 1.00 0.00 N ATOM 0 H GLN A 15 -3.936 -2.872 -1.338 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.592 -1.139 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.191 -4.081 -0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.534 -3.550 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.143 -1.850 1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.443 -2.980 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.920 -2.303 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.390 -3.809 2.656 1.00 0.00 H new ATOM 223 N CYS A 16 -1.859 -3.381 -3.296 1.00 0.00 N ATOM 224 CA CYS A 16 -1.445 -3.679 -4.662 1.00 0.00 C ATOM 225 C CYS A 16 -1.516 -2.430 -5.536 1.00 0.00 C ATOM 226 O CYS A 16 -2.339 -1.543 -5.305 1.00 0.00 O ATOM 227 CB CYS A 16 -2.326 -4.780 -5.254 1.00 0.00 C ATOM 228 SG CYS A 16 -2.736 -6.115 -4.084 1.00 0.00 S ATOM 0 H CYS A 16 -2.438 -4.102 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.411 -4.024 -4.636 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.251 -4.334 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.819 -5.211 -6.117 1.00 0.00 H new ATOM 233 N CYS A 17 -0.648 -2.367 -6.540 1.00 0.00 N ATOM 234 CA CYS A 17 -0.611 -1.229 -7.450 1.00 0.00 C ATOM 235 C CYS A 17 -1.838 -1.217 -8.357 1.00 0.00 C ATOM 236 O CYS A 17 -2.735 -2.049 -8.219 1.00 0.00 O ATOM 237 CB CYS A 17 0.663 -1.267 -8.296 1.00 0.00 C ATOM 238 SG CYS A 17 1.908 -0.024 -7.823 1.00 0.00 S ATOM 0 H CYS A 17 0.040 -3.092 -6.744 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.615 -0.318 -6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.108 -2.259 -8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.396 -1.118 -9.342 1.00 0.00 H new ATOM 243 N LYS A 18 -1.871 -0.267 -9.286 1.00 0.00 N ATOM 244 CA LYS A 18 -2.985 -0.146 -10.218 1.00 0.00 C ATOM 245 C LYS A 18 -2.682 -0.870 -11.526 1.00 0.00 C ATOM 246 O LYS A 18 -3.164 -1.979 -11.759 1.00 0.00 O ATOM 247 CB LYS A 18 -3.286 1.328 -10.497 1.00 0.00 C ATOM 248 CG LYS A 18 -4.261 1.947 -9.510 1.00 0.00 C ATOM 249 CD LYS A 18 -3.712 1.923 -8.094 1.00 0.00 C ATOM 250 CE LYS A 18 -4.644 2.631 -7.122 1.00 0.00 C ATOM 251 NZ LYS A 18 -4.710 4.095 -7.385 1.00 0.00 N ATOM 0 H LYS A 18 -1.138 0.431 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.860 -0.609 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.353 1.891 -10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.692 1.423 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.472 2.976 -9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.207 1.406 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.569 0.890 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.733 2.401 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.643 2.203 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.302 2.460 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.155 4.573 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.748 4.467 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.273 4.269 -8.242 1.00 0.00 H new ATOM 265 N SER A 19 -1.879 -0.237 -12.375 1.00 0.00 N ATOM 266 CA SER A 19 -1.514 -0.820 -13.661 1.00 0.00 C ATOM 267 C SER A 19 -0.832 -2.172 -13.470 1.00 0.00 C ATOM 268 O SER A 19 -0.854 -3.021 -14.360 1.00 0.00 O ATOM 269 CB SER A 19 -0.589 0.126 -14.430 1.00 0.00 C ATOM 270 OG SER A 19 -0.486 -0.257 -15.790 1.00 0.00 O ATOM 0 H SER A 19 -1.469 0.679 -12.196 1.00 0.00 H new ATOM 0 HA SER A 19 -2.427 -0.971 -14.236 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.969 1.145 -14.364 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.400 0.124 -13.972 1.00 0.00 H new ATOM 0 HG SER A 19 0.109 0.364 -16.260 1.00 0.00 H new ATOM 276 N SER A 20 -0.228 -2.363 -12.302 1.00 0.00 N ATOM 277 CA SER A 20 0.464 -3.609 -11.994 1.00 0.00 C ATOM 278 C SER A 20 -0.490 -4.796 -12.082 1.00 0.00 C ATOM 279 O SER A 20 -1.691 -4.662 -11.847 1.00 0.00 O ATOM 280 CB SER A 20 1.084 -3.541 -10.597 1.00 0.00 C ATOM 281 OG SER A 20 1.927 -2.409 -10.468 1.00 0.00 O ATOM 0 H SER A 20 -0.204 -1.671 -11.553 1.00 0.00 H new ATOM 0 HA SER A 20 1.257 -3.747 -12.729 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.294 -3.498 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.656 -4.449 -10.405 1.00 0.00 H new ATOM 0 HG SER A 20 2.644 -2.606 -9.829 1.00 0.00 H new ATOM 287 N LYS A 21 0.053 -5.960 -12.422 1.00 0.00 N ATOM 288 CA LYS A 21 -0.747 -7.173 -12.540 1.00 0.00 C ATOM 289 C LYS A 21 -0.863 -7.882 -11.195 1.00 0.00 C ATOM 290 O LYS A 21 -1.775 -8.682 -10.979 1.00 0.00 O ATOM 291 CB LYS A 21 -0.129 -8.117 -13.574 1.00 0.00 C ATOM 292 CG LYS A 21 0.265 -7.428 -14.869 1.00 0.00 C ATOM 293 CD LYS A 21 0.620 -8.433 -15.951 1.00 0.00 C ATOM 294 CE LYS A 21 1.114 -7.743 -17.213 1.00 0.00 C ATOM 295 NZ LYS A 21 1.453 -8.721 -18.284 1.00 0.00 N ATOM 0 H LYS A 21 1.045 -6.089 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.747 -6.888 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.753 -8.589 -13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.840 -8.913 -13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.556 -6.799 -15.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.116 -6.771 -14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.389 -9.111 -15.581 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.254 -9.040 -16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.348 -7.058 -17.576 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.993 -7.143 -16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.786 -8.211 -19.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.202 -9.359 -17.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.608 -9.277 -18.526 1.00 0.00 H new ATOM 309 N LEU A 22 0.064 -7.583 -10.292 1.00 0.00 N ATOM 310 CA LEU A 22 0.065 -8.190 -8.965 1.00 0.00 C ATOM 311 C LEU A 22 -1.355 -8.312 -8.421 1.00 0.00 C ATOM 312 O LEU A 22 -1.977 -7.315 -8.051 1.00 0.00 O ATOM 313 CB LEU A 22 0.922 -7.365 -8.005 1.00 0.00 C ATOM 314 CG LEU A 22 1.377 -5.998 -8.517 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.503 -5.011 -7.367 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.698 -6.121 -9.264 1.00 0.00 C ATOM 0 H LEU A 22 0.825 -6.924 -10.454 1.00 0.00 H new ATOM 0 HA LEU A 22 0.489 -9.191 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.359 -7.217 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.807 -7.947 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 22 0.624 -5.622 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.828 -4.044 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.537 -4.900 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.235 -5.381 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.007 -5.139 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.460 -6.519 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.575 -6.794 -10.113 1.00 0.00 H new ATOM 328 N VAL A 23 -1.863 -9.539 -8.374 1.00 0.00 N ATOM 329 CA VAL A 23 -3.208 -9.792 -7.872 1.00 0.00 C ATOM 330 C VAL A 23 -3.171 -10.324 -6.444 1.00 0.00 C ATOM 331 O VAL A 23 -2.253 -11.053 -6.065 1.00 0.00 O ATOM 332 CB VAL A 23 -3.960 -10.797 -8.764 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.227 -12.129 -8.803 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.388 -10.980 -8.272 1.00 0.00 C ATOM 0 H VAL A 23 -1.363 -10.374 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.736 -8.839 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.997 -10.400 -9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.773 -12.826 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.225 -11.981 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.157 -12.536 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.905 -11.693 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.375 -11.355 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.908 -10.023 -8.301 1.00 0.00 H new ATOM 344 N CYS A 24 -4.174 -9.956 -5.655 1.00 0.00 N ATOM 345 CA CYS A 24 -4.258 -10.396 -4.267 1.00 0.00 C ATOM 346 C CYS A 24 -5.542 -11.183 -4.023 1.00 0.00 C ATOM 347 O CYS A 24 -5.588 -12.067 -3.168 1.00 0.00 O ATOM 348 CB CYS A 24 -4.196 -9.193 -3.324 1.00 0.00 C ATOM 349 SG CYS A 24 -5.251 -9.351 -1.848 1.00 0.00 S ATOM 0 H CYS A 24 -4.941 -9.353 -5.953 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.409 -11.049 -4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.164 -9.047 -3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.490 -8.299 -3.873 1.00 0.00 H new ATOM 354 N SER A 25 -6.584 -10.854 -4.780 1.00 0.00 N ATOM 355 CA SER A 25 -7.871 -11.526 -4.643 1.00 0.00 C ATOM 356 C SER A 25 -7.812 -12.935 -5.226 1.00 0.00 C ATOM 357 O SER A 25 -8.105 -13.915 -4.541 1.00 0.00 O ATOM 358 CB SER A 25 -8.969 -10.719 -5.339 1.00 0.00 C ATOM 359 OG SER A 25 -9.656 -9.892 -4.417 1.00 0.00 O ATOM 0 H SER A 25 -6.562 -10.126 -5.494 1.00 0.00 H new ATOM 0 HA SER A 25 -8.103 -11.600 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.530 -10.105 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.674 -11.397 -5.819 1.00 0.00 H new ATOM 0 HG SER A 25 -10.351 -9.386 -4.887 1.00 0.00 H new ATOM 365 N ARG A 26 -7.431 -13.027 -6.496 1.00 0.00 N ATOM 366 CA ARG A 26 -7.334 -14.315 -7.173 1.00 0.00 C ATOM 367 C ARG A 26 -6.647 -15.347 -6.283 1.00 0.00 C ATOM 368 O ARG A 26 -7.205 -16.406 -5.997 1.00 0.00 O ATOM 369 CB ARG A 26 -6.567 -14.168 -8.488 1.00 0.00 C ATOM 370 CG ARG A 26 -7.379 -13.521 -9.598 1.00 0.00 C ATOM 371 CD ARG A 26 -6.534 -13.280 -10.839 1.00 0.00 C ATOM 372 NE ARG A 26 -6.818 -14.252 -11.891 1.00 0.00 N ATOM 373 CZ ARG A 26 -6.220 -15.435 -11.980 1.00 0.00 C ATOM 374 NH1 ARG A 26 -5.309 -15.790 -11.084 1.00 0.00 N ATOM 375 NH2 ARG A 26 -6.532 -16.265 -12.967 1.00 0.00 N ATOM 0 H ARG A 26 -7.185 -12.225 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.345 -14.661 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.671 -13.574 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.236 -15.153 -8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.225 -14.160 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.789 -12.574 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.720 -12.274 -11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.478 -13.331 -10.574 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.514 -14.009 -12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.066 -15.154 -10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.851 -16.699 -11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.232 -15.995 -13.658 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.072 -17.173 -13.034 1.00 0.00 H new ATOM 389 N LYS A 27 -5.432 -15.030 -5.849 1.00 0.00 N ATOM 390 CA LYS A 27 -4.667 -15.928 -4.991 1.00 0.00 C ATOM 391 C LYS A 27 -4.845 -15.559 -3.522 1.00 0.00 C ATOM 392 O LYS A 27 -5.725 -14.772 -3.170 1.00 0.00 O ATOM 393 CB LYS A 27 -3.184 -15.882 -5.364 1.00 0.00 C ATOM 394 CG LYS A 27 -2.921 -16.107 -6.843 1.00 0.00 C ATOM 395 CD LYS A 27 -3.051 -17.575 -7.215 1.00 0.00 C ATOM 396 CE LYS A 27 -2.424 -17.864 -8.570 1.00 0.00 C ATOM 397 NZ LYS A 27 -0.974 -17.526 -8.594 1.00 0.00 N ATOM 0 H LYS A 27 -4.955 -14.158 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.041 -16.941 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.775 -14.914 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.650 -16.639 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.624 -15.518 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.921 -15.754 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.571 -18.189 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.104 -17.855 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.555 -18.918 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.943 -17.292 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.442 -18.310 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.828 -16.662 -9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.638 -17.369 -7.622 1.00 0.00 H new ATOM 411 N THR A 28 -4.003 -16.131 -2.667 1.00 0.00 N ATOM 412 CA THR A 28 -4.067 -15.862 -1.236 1.00 0.00 C ATOM 413 C THR A 28 -4.088 -14.363 -0.958 1.00 0.00 C ATOM 414 O THR A 28 -3.901 -13.552 -1.865 1.00 0.00 O ATOM 415 CB THR A 28 -2.875 -16.494 -0.492 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.258 -17.491 -1.313 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.325 -17.117 0.821 1.00 0.00 C ATOM 0 H THR A 28 -3.269 -16.784 -2.941 1.00 0.00 H new ATOM 0 HA THR A 28 -4.992 -16.309 -0.872 1.00 0.00 H new ATOM 0 HB THR A 28 -2.153 -15.707 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.500 -17.887 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.466 -17.557 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.767 -16.349 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.065 -17.892 0.621 1.00 0.00 H new ATOM 425 N ARG A 29 -4.316 -14.003 0.300 1.00 0.00 N ATOM 426 CA ARG A 29 -4.362 -12.600 0.697 1.00 0.00 C ATOM 427 C ARG A 29 -3.138 -11.849 0.181 1.00 0.00 C ATOM 428 O ARG A 29 -3.164 -10.628 0.031 1.00 0.00 O ATOM 429 CB ARG A 29 -4.443 -12.481 2.220 1.00 0.00 C ATOM 430 CG ARG A 29 -3.318 -13.200 2.947 1.00 0.00 C ATOM 431 CD ARG A 29 -3.719 -13.565 4.368 1.00 0.00 C ATOM 432 NE ARG A 29 -3.411 -12.497 5.315 1.00 0.00 N ATOM 433 CZ ARG A 29 -3.694 -12.561 6.612 1.00 0.00 C ATOM 434 NH1 ARG A 29 -4.288 -13.636 7.112 1.00 0.00 N ATOM 435 NH2 ARG A 29 -3.383 -11.548 7.410 1.00 0.00 N ATOM 0 H ARG A 29 -4.472 -14.663 1.062 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.253 -12.153 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.427 -11.426 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.398 -12.884 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.048 -14.103 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.433 -12.565 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.787 -13.780 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.201 -14.476 4.668 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.954 -11.656 4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.529 -14.416 6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.504 -13.683 8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.927 -10.720 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.600 -11.598 8.405 1.00 0.00 H new ATOM 449 N ALA A 30 -2.066 -12.588 -0.087 1.00 0.00 N ATOM 450 CA ALA A 30 -0.833 -11.993 -0.587 1.00 0.00 C ATOM 451 C ALA A 30 -0.990 -11.538 -2.034 1.00 0.00 C ATOM 452 O ALA A 30 -1.616 -12.220 -2.846 1.00 0.00 O ATOM 453 CB ALA A 30 0.318 -12.981 -0.465 1.00 0.00 C ATOM 0 H ALA A 30 -2.027 -13.600 0.034 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.610 -11.116 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.232 -12.523 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.454 -13.254 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.093 -13.875 -1.047 1.00 0.00 H new ATOM 459 N CYS A 31 -0.420 -10.380 -2.350 1.00 0.00 N ATOM 460 CA CYS A 31 -0.497 -9.832 -3.699 1.00 0.00 C ATOM 461 C CYS A 31 0.791 -10.104 -4.472 1.00 0.00 C ATOM 462 O CYS A 31 1.869 -9.659 -4.079 1.00 0.00 O ATOM 463 CB CYS A 31 -0.765 -8.327 -3.646 1.00 0.00 C ATOM 464 SG CYS A 31 -1.917 -7.731 -4.926 1.00 0.00 S ATOM 0 H CYS A 31 0.101 -9.803 -1.690 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.321 -10.323 -4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.167 -8.075 -2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.182 -7.796 -3.749 1.00 0.00 H new ATOM 469 N LYS A 32 0.670 -10.838 -5.572 1.00 0.00 N ATOM 470 CA LYS A 32 1.822 -11.169 -6.402 1.00 0.00 C ATOM 471 C LYS A 32 1.439 -11.200 -7.878 1.00 0.00 C ATOM 472 O LYS A 32 0.299 -11.508 -8.227 1.00 0.00 O ATOM 473 CB LYS A 32 2.404 -12.522 -5.986 1.00 0.00 C ATOM 474 CG LYS A 32 1.593 -13.709 -6.475 1.00 0.00 C ATOM 475 CD LYS A 32 1.264 -14.665 -5.340 1.00 0.00 C ATOM 476 CE LYS A 32 2.386 -15.666 -5.112 1.00 0.00 C ATOM 477 NZ LYS A 32 1.907 -16.884 -4.402 1.00 0.00 N ATOM 0 H LYS A 32 -0.215 -11.216 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 32 2.577 -10.396 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.421 -12.604 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.470 -12.561 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.669 -13.356 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.151 -14.238 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.089 -14.099 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.340 -15.197 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.819 -15.951 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.180 -15.196 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.701 -17.541 -4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.517 -16.615 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.167 -17.347 -4.968 1.00 0.00 H new ATOM 491 N TYR A 33 2.398 -10.883 -8.740 1.00 0.00 N ATOM 492 CA TYR A 33 2.160 -10.874 -10.179 1.00 0.00 C ATOM 493 C TYR A 33 1.405 -12.126 -10.614 1.00 0.00 C ATOM 494 O TYR A 33 1.944 -13.232 -10.580 1.00 0.00 O ATOM 495 CB TYR A 33 3.486 -10.776 -10.936 1.00 0.00 C ATOM 496 CG TYR A 33 3.835 -9.370 -11.367 1.00 0.00 C ATOM 497 CD1 TYR A 33 3.263 -8.807 -12.501 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.737 -8.603 -10.640 1.00 0.00 C ATOM 499 CE1 TYR A 33 3.579 -7.523 -12.899 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.058 -7.317 -11.029 1.00 0.00 C ATOM 501 CZ TYR A 33 4.477 -6.782 -12.160 1.00 0.00 C ATOM 502 OH TYR A 33 4.794 -5.501 -12.553 1.00 0.00 O ATOM 0 H TYR A 33 3.348 -10.629 -8.468 1.00 0.00 H new ATOM 0 HA TYR A 33 1.549 -10.003 -10.415 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.285 -11.162 -10.303 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.440 -11.416 -11.817 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.559 -9.384 -13.082 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.195 -9.020 -9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.125 -7.102 -13.784 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.760 -6.734 -10.451 1.00 0.00 H new ATOM 0 HH TYR A 33 5.440 -5.116 -11.924 1.00 0.00 H new ATOM 512 N GLN A 34 0.154 -11.941 -11.023 1.00 0.00 N ATOM 513 CA GLN A 34 -0.677 -13.055 -11.465 1.00 0.00 C ATOM 514 C GLN A 34 0.020 -13.853 -12.562 1.00 0.00 C ATOM 515 O GLN A 34 1.099 -13.479 -13.024 1.00 0.00 O ATOM 516 CB GLN A 34 -2.027 -12.544 -11.969 1.00 0.00 C ATOM 517 CG GLN A 34 -1.950 -11.855 -13.322 1.00 0.00 C ATOM 518 CD GLN A 34 -3.119 -10.922 -13.570 1.00 0.00 C ATOM 519 OE1 GLN A 34 -3.674 -10.343 -12.637 1.00 0.00 O ATOM 520 NE2 GLN A 34 -3.500 -10.773 -14.834 1.00 0.00 N ATOM 0 H GLN A 34 -0.306 -11.031 -11.058 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.842 -13.713 -10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.721 -13.382 -12.036 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.438 -11.847 -11.239 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.020 -11.290 -13.385 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.919 -12.609 -14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.011 -11.273 -15.576 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.282 -10.159 -15.062 1.00 0.00 H new ATOM 529 N ILE A 35 -0.602 -14.951 -12.975 1.00 0.00 N ATOM 530 CA ILE A 35 -0.041 -15.800 -14.018 1.00 0.00 C ATOM 531 C ILE A 35 -1.059 -16.057 -15.124 1.00 0.00 C ATOM 532 O ILE A 35 -0.970 -17.050 -15.847 1.00 0.00 O ATOM 533 CB ILE A 35 0.435 -17.151 -13.451 1.00 0.00 C ATOM 534 CG1 ILE A 35 -0.694 -17.826 -12.669 1.00 0.00 C ATOM 535 CG2 ILE A 35 1.655 -16.952 -12.564 1.00 0.00 C ATOM 536 CD1 ILE A 35 -0.543 -19.328 -12.566 1.00 0.00 C ATOM 0 H ILE A 35 -1.495 -15.274 -12.603 1.00 0.00 H new ATOM 0 HA ILE A 35 0.815 -15.267 -14.431 1.00 0.00 H new ATOM 0 HB ILE A 35 0.715 -17.799 -14.281 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.733 -17.403 -11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.645 -17.597 -13.149 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.980 -17.915 -12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.461 -16.508 -13.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.399 -16.290 -11.737 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.378 -19.740 -11.999 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.534 -19.762 -13.566 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.392 -19.566 -12.059 1.00 0.00 H new TER 548 ILE A 35