USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -79:sc= 0.175 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 0.03 (180deg=-0.347) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.15 K(o=-3.1,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.270 0.338 -2.290 1.00 0.00 N ATOM 2 CA GLY A 1 2.092 -0.014 -1.148 1.00 0.00 C ATOM 3 C GLY A 1 3.374 0.792 -1.085 1.00 0.00 C ATOM 4 O GLY A 1 3.351 2.018 -1.194 1.00 0.00 O ATOM 0 H1 GLY A 1 0.406 -0.241 -2.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.013 1.344 -2.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.801 0.163 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.522 0.143 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.336 -1.075 -1.193 1.00 0.00 H new ATOM 8 N CYS A 2 4.496 0.102 -0.908 1.00 0.00 N ATOM 9 CA CYS A 2 5.795 0.761 -0.829 1.00 0.00 C ATOM 10 C CYS A 2 6.923 -0.224 -1.119 1.00 0.00 C ATOM 11 O CYS A 2 6.734 -1.439 -1.048 1.00 0.00 O ATOM 12 CB CYS A 2 5.990 1.384 0.555 1.00 0.00 C ATOM 13 SG CYS A 2 5.868 0.195 1.930 1.00 0.00 S ATOM 0 H CYS A 2 4.532 -0.913 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 2 5.822 1.549 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.967 1.865 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.244 2.166 0.698 1.00 0.00 H new ATOM 18 N ILE A 3 8.096 0.308 -1.446 1.00 0.00 N ATOM 19 CA ILE A 3 9.255 -0.524 -1.746 1.00 0.00 C ATOM 20 C ILE A 3 10.061 -0.818 -0.486 1.00 0.00 C ATOM 21 O ILE A 3 10.559 0.095 0.172 1.00 0.00 O ATOM 22 CB ILE A 3 10.174 0.145 -2.785 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.377 0.520 -4.037 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.329 -0.779 -3.143 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.507 1.977 -4.421 1.00 0.00 C ATOM 0 H ILE A 3 8.269 1.311 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 3 8.875 -1.459 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 3 10.584 1.057 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.712 -0.098 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.325 0.289 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.970 -0.292 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.909 -1.001 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.937 -1.706 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.916 2.171 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.145 2.602 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.553 2.209 -4.619 1.00 0.00 H new ATOM 37 N ALA A 4 10.186 -2.100 -0.156 1.00 0.00 N ATOM 38 CA ALA A 4 10.935 -2.515 1.023 1.00 0.00 C ATOM 39 C ALA A 4 12.437 -2.480 0.761 1.00 0.00 C ATOM 40 O ALA A 4 12.875 -2.328 -0.380 1.00 0.00 O ATOM 41 CB ALA A 4 10.506 -3.909 1.457 1.00 0.00 C ATOM 0 H ALA A 4 9.778 -2.868 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 4 10.717 -1.812 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.074 -4.206 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.442 -3.905 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.694 -4.616 0.649 1.00 0.00 H new ATOM 47 N LYS A 5 13.222 -2.620 1.823 1.00 0.00 N ATOM 48 CA LYS A 5 14.676 -2.604 1.709 1.00 0.00 C ATOM 49 C LYS A 5 15.189 -3.914 1.120 1.00 0.00 C ATOM 50 O LYS A 5 15.858 -4.691 1.800 1.00 0.00 O ATOM 51 CB LYS A 5 15.313 -2.364 3.079 1.00 0.00 C ATOM 52 CG LYS A 5 14.817 -3.313 4.156 1.00 0.00 C ATOM 53 CD LYS A 5 14.015 -2.579 5.219 1.00 0.00 C ATOM 54 CE LYS A 5 13.729 -3.473 6.416 1.00 0.00 C ATOM 55 NZ LYS A 5 12.798 -2.825 7.381 1.00 0.00 N ATOM 0 H LYS A 5 12.876 -2.746 2.774 1.00 0.00 H new ATOM 0 HA LYS A 5 14.954 -1.791 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.395 -2.463 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.111 -1.339 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.199 -4.088 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.666 -3.814 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.564 -1.696 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.075 -2.230 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.299 -4.414 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.664 -3.715 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.628 -3.465 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.219 -1.940 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.896 -2.617 6.907 1.00 0.00 H new ATOM 69 N ASN A 6 14.872 -4.153 -0.148 1.00 0.00 N ATOM 70 CA ASN A 6 15.302 -5.369 -0.829 1.00 0.00 C ATOM 71 C ASN A 6 14.805 -5.391 -2.271 1.00 0.00 C ATOM 72 O ASN A 6 15.440 -5.975 -3.149 1.00 0.00 O ATOM 73 CB ASN A 6 14.791 -6.603 -0.083 1.00 0.00 C ATOM 74 CG ASN A 6 15.723 -7.791 -0.223 1.00 0.00 C ATOM 75 OD1 ASN A 6 16.642 -7.780 -1.043 1.00 0.00 O ATOM 76 ND2 ASN A 6 15.491 -8.824 0.579 1.00 0.00 N ATOM 0 H ASN A 6 14.318 -3.520 -0.725 1.00 0.00 H new ATOM 0 HA ASN A 6 16.392 -5.383 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.671 -6.362 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.805 -6.871 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.086 -9.651 0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 6 14.718 -8.790 1.244 1.00 0.00 H new ATOM 83 N LYS A 7 13.667 -4.748 -2.508 1.00 0.00 N ATOM 84 CA LYS A 7 13.084 -4.691 -3.844 1.00 0.00 C ATOM 85 C LYS A 7 13.667 -3.529 -4.642 1.00 0.00 C ATOM 86 O LYS A 7 13.970 -2.474 -4.087 1.00 0.00 O ATOM 87 CB LYS A 7 11.563 -4.549 -3.753 1.00 0.00 C ATOM 88 CG LYS A 7 10.914 -5.546 -2.810 1.00 0.00 C ATOM 89 CD LYS A 7 9.963 -6.474 -3.547 1.00 0.00 C ATOM 90 CE LYS A 7 9.933 -7.858 -2.916 1.00 0.00 C ATOM 91 NZ LYS A 7 8.872 -7.971 -1.878 1.00 0.00 N ATOM 0 H LYS A 7 13.130 -4.259 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 7 13.326 -5.621 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.320 -3.539 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.135 -4.671 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.686 -6.134 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.371 -5.011 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.960 -6.048 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.268 -6.555 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.765 -8.607 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.903 -8.074 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.884 -8.928 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.046 -7.274 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.943 -7.790 -2.310 1.00 0.00 H new ATOM 105 N GLU A 8 13.820 -3.732 -5.947 1.00 0.00 N ATOM 106 CA GLU A 8 14.366 -2.700 -6.821 1.00 0.00 C ATOM 107 C GLU A 8 13.423 -1.503 -6.905 1.00 0.00 C ATOM 108 O GLU A 8 12.207 -1.646 -6.774 1.00 0.00 O ATOM 109 CB GLU A 8 14.616 -3.265 -8.221 1.00 0.00 C ATOM 110 CG GLU A 8 13.375 -3.292 -9.097 1.00 0.00 C ATOM 111 CD GLU A 8 13.629 -3.933 -10.448 1.00 0.00 C ATOM 112 OE1 GLU A 8 14.160 -5.063 -10.477 1.00 0.00 O ATOM 113 OE2 GLU A 8 13.297 -3.305 -11.474 1.00 0.00 O ATOM 0 H GLU A 8 13.574 -4.601 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 8 15.313 -2.366 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.384 -2.668 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.008 -4.278 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.584 -3.838 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.016 -2.273 -9.244 1.00 0.00 H new ATOM 120 N CYS A 9 13.993 -0.323 -7.124 1.00 0.00 N ATOM 121 CA CYS A 9 13.206 0.900 -7.225 1.00 0.00 C ATOM 122 C CYS A 9 13.891 1.915 -8.136 1.00 0.00 C ATOM 123 O CYS A 9 15.109 2.082 -8.090 1.00 0.00 O ATOM 124 CB CYS A 9 12.990 1.508 -5.837 1.00 0.00 C ATOM 125 SG CYS A 9 14.529 1.818 -4.913 1.00 0.00 S ATOM 0 H CYS A 9 14.998 -0.188 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 9 12.239 0.645 -7.658 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.448 2.447 -5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.357 0.839 -5.254 1.00 0.00 H new ATOM 130 N ALA A 10 13.098 2.589 -8.963 1.00 0.00 N ATOM 131 CA ALA A 10 13.627 3.588 -9.882 1.00 0.00 C ATOM 132 C ALA A 10 13.527 4.989 -9.288 1.00 0.00 C ATOM 133 O ALA A 10 12.608 5.285 -8.524 1.00 0.00 O ATOM 134 CB ALA A 10 12.891 3.523 -11.213 1.00 0.00 C ATOM 0 H ALA A 10 12.087 2.461 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 10 14.681 3.368 -10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.296 4.275 -11.890 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.019 2.533 -11.651 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.830 3.714 -11.052 1.00 0.00 H new ATOM 140 N TRP A 11 14.477 5.846 -9.643 1.00 0.00 N ATOM 141 CA TRP A 11 14.495 7.216 -9.144 1.00 0.00 C ATOM 142 C TRP A 11 13.253 7.977 -9.595 1.00 0.00 C ATOM 143 O TRP A 11 12.929 9.034 -9.053 1.00 0.00 O ATOM 144 CB TRP A 11 15.754 7.939 -9.625 1.00 0.00 C ATOM 145 CG TRP A 11 16.939 7.726 -8.733 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.064 6.792 -7.744 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.166 8.464 -8.746 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.294 6.905 -7.143 1.00 0.00 N ATOM 149 CE2 TRP A 11 18.989 7.923 -7.740 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.650 9.528 -9.512 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.267 8.411 -7.481 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.918 10.012 -9.254 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.716 9.453 -8.246 1.00 0.00 C ATOM 0 H TRP A 11 15.245 5.617 -10.274 1.00 0.00 H new ATOM 0 HA TRP A 11 14.499 7.179 -8.055 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.999 7.597 -10.630 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.547 9.007 -9.693 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.307 6.071 -7.474 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.635 6.325 -6.376 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.043 9.964 -10.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.882 7.982 -6.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.301 10.835 -9.839 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.704 9.852 -8.070 1.00 0.00 H new ATOM 164 N PHE A 12 12.560 7.433 -10.590 1.00 0.00 N ATOM 165 CA PHE A 12 11.354 8.061 -11.115 1.00 0.00 C ATOM 166 C PHE A 12 10.229 7.041 -11.263 1.00 0.00 C ATOM 167 O PHE A 12 9.308 7.227 -12.059 1.00 0.00 O ATOM 168 CB PHE A 12 11.642 8.720 -12.466 1.00 0.00 C ATOM 169 CG PHE A 12 10.823 9.953 -12.718 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.151 11.155 -12.112 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.724 9.910 -13.562 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.398 12.291 -12.343 1.00 0.00 C ATOM 173 CE2 PHE A 12 8.968 11.043 -13.796 1.00 0.00 C ATOM 174 CZ PHE A 12 9.306 12.236 -13.187 1.00 0.00 C ATOM 0 H PHE A 12 12.814 6.558 -11.049 1.00 0.00 H new ATOM 0 HA PHE A 12 11.036 8.826 -10.407 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.699 8.979 -12.517 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.452 7.999 -13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.004 11.205 -11.452 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.456 8.981 -14.042 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.664 13.222 -11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.113 10.996 -14.455 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.718 13.123 -13.370 1.00 0.00 H new ATOM 184 N SER A 13 10.312 5.961 -10.492 1.00 0.00 N ATOM 185 CA SER A 13 9.305 4.908 -10.540 1.00 0.00 C ATOM 186 C SER A 13 7.937 5.445 -10.131 1.00 0.00 C ATOM 187 O SER A 13 6.909 4.826 -10.399 1.00 0.00 O ATOM 188 CB SER A 13 9.705 3.749 -9.626 1.00 0.00 C ATOM 189 OG SER A 13 9.939 4.200 -8.303 1.00 0.00 O ATOM 0 H SER A 13 11.067 5.793 -9.827 1.00 0.00 H new ATOM 0 HA SER A 13 9.242 4.547 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.917 2.996 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.603 3.269 -10.014 1.00 0.00 H new ATOM 0 HG SER A 13 10.827 4.611 -8.250 1.00 0.00 H new ATOM 195 N GLY A 14 7.934 6.604 -9.479 1.00 0.00 N ATOM 196 CA GLY A 14 6.688 7.207 -9.042 1.00 0.00 C ATOM 197 C GLY A 14 6.302 6.787 -7.638 1.00 0.00 C ATOM 198 O GLY A 14 5.517 7.464 -6.975 1.00 0.00 O ATOM 0 H GLY A 14 8.772 7.136 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.780 8.292 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.892 6.930 -9.733 1.00 0.00 H new ATOM 202 N GLU A 15 6.855 5.666 -7.184 1.00 0.00 N ATOM 203 CA GLU A 15 6.561 5.157 -5.850 1.00 0.00 C ATOM 204 C GLU A 15 7.687 5.495 -4.878 1.00 0.00 C ATOM 205 O GLU A 15 8.709 6.059 -5.268 1.00 0.00 O ATOM 206 CB GLU A 15 6.348 3.642 -5.894 1.00 0.00 C ATOM 207 CG GLU A 15 7.367 2.909 -6.750 1.00 0.00 C ATOM 208 CD GLU A 15 6.824 2.543 -8.118 1.00 0.00 C ATOM 209 OE1 GLU A 15 5.889 3.226 -8.586 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.334 1.575 -8.719 1.00 0.00 O ATOM 0 H GLU A 15 7.508 5.094 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 15 5.647 5.636 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.389 3.248 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.349 3.435 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.252 3.534 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.684 2.002 -6.235 1.00 0.00 H new ATOM 217 N TRP A 16 7.492 5.147 -3.611 1.00 0.00 N ATOM 218 CA TRP A 16 8.491 5.414 -2.582 1.00 0.00 C ATOM 219 C TRP A 16 8.712 4.186 -1.706 1.00 0.00 C ATOM 220 O TRP A 16 7.830 3.337 -1.577 1.00 0.00 O ATOM 221 CB TRP A 16 8.058 6.601 -1.719 1.00 0.00 C ATOM 222 CG TRP A 16 7.359 7.676 -2.494 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.823 8.318 -3.607 1.00 0.00 C ATOM 224 CD2 TRP A 16 6.072 8.236 -2.213 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.902 9.243 -4.034 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.818 9.211 -3.197 1.00 0.00 C ATOM 227 CE3 TRP A 16 5.108 8.006 -1.228 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.641 9.955 -3.221 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.940 8.745 -1.253 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.715 9.710 -2.244 1.00 0.00 C ATOM 0 H TRP A 16 6.651 4.679 -3.271 1.00 0.00 H new ATOM 0 HA TRP A 16 9.431 5.657 -3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.397 6.244 -0.929 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.936 7.026 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.774 8.126 -4.081 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.008 9.855 -4.843 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.273 7.264 -0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.465 10.699 -3.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.188 8.576 -0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.792 10.271 -2.236 1.00 0.00 H new ATOM 241 N CYS A 17 9.894 4.098 -1.106 1.00 0.00 N ATOM 242 CA CYS A 17 10.232 2.973 -0.243 1.00 0.00 C ATOM 243 C CYS A 17 9.470 3.053 1.077 1.00 0.00 C ATOM 244 O CYS A 17 8.941 4.105 1.439 1.00 0.00 O ATOM 245 CB CYS A 17 11.738 2.944 0.026 1.00 0.00 C ATOM 246 SG CYS A 17 12.763 3.199 -1.457 1.00 0.00 S ATOM 0 H CYS A 17 10.634 4.793 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 17 9.943 2.055 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.980 3.714 0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.998 1.985 0.474 1.00 0.00 H new ATOM 251 N CYS A 18 9.418 1.935 1.793 1.00 0.00 N ATOM 252 CA CYS A 18 8.721 1.876 3.072 1.00 0.00 C ATOM 253 C CYS A 18 9.490 2.641 4.145 1.00 0.00 C ATOM 254 O CYS A 18 10.645 3.017 3.948 1.00 0.00 O ATOM 255 CB CYS A 18 8.529 0.422 3.506 1.00 0.00 C ATOM 256 SG CYS A 18 7.654 -0.609 2.284 1.00 0.00 S ATOM 0 H CYS A 18 9.851 1.056 1.509 1.00 0.00 H new ATOM 0 HA CYS A 18 7.744 2.342 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.506 -0.019 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.975 0.404 4.444 1.00 0.00 H new ATOM 261 N GLY A 19 8.840 2.868 5.283 1.00 0.00 N ATOM 262 CA GLY A 19 9.477 3.586 6.371 1.00 0.00 C ATOM 263 C GLY A 19 10.056 4.915 5.928 1.00 0.00 C ATOM 264 O GLY A 19 9.319 5.830 5.561 1.00 0.00 O ATOM 0 H GLY A 19 7.884 2.567 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.750 3.757 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.271 2.970 6.793 1.00 0.00 H new ATOM 268 N ALA A 20 11.380 5.023 5.963 1.00 0.00 N ATOM 269 CA ALA A 20 12.058 6.250 5.561 1.00 0.00 C ATOM 270 C ALA A 20 13.368 5.944 4.844 1.00 0.00 C ATOM 271 O ALA A 20 14.350 6.674 4.985 1.00 0.00 O ATOM 272 CB ALA A 20 12.311 7.134 6.773 1.00 0.00 C ATOM 0 H ALA A 20 12.005 4.276 6.266 1.00 0.00 H new ATOM 0 HA ALA A 20 11.410 6.783 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.818 8.046 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.361 7.390 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.936 6.600 7.489 1.00 0.00 H new ATOM 278 N LEU A 21 13.377 4.861 4.075 1.00 0.00 N ATOM 279 CA LEU A 21 14.568 4.457 3.336 1.00 0.00 C ATOM 280 C LEU A 21 14.543 5.015 1.916 1.00 0.00 C ATOM 281 O LEU A 21 13.479 5.313 1.375 1.00 0.00 O ATOM 282 CB LEU A 21 14.675 2.932 3.295 1.00 0.00 C ATOM 283 CG LEU A 21 14.363 2.202 4.601 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.902 0.780 4.321 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.580 2.199 5.515 1.00 0.00 C ATOM 0 H LEU A 21 12.573 4.247 3.947 1.00 0.00 H new ATOM 0 HA LEU A 21 15.439 4.862 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.999 2.561 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.686 2.667 2.987 1.00 0.00 H new ATOM 0 HG LEU A 21 13.555 2.732 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.685 0.276 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.002 0.804 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.688 0.240 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.339 1.675 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.408 1.694 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.866 3.226 5.744 1.00 0.00 H new ATOM 297 N SER A 22 15.723 5.153 1.319 1.00 0.00 N ATOM 298 CA SER A 22 15.836 5.676 -0.037 1.00 0.00 C ATOM 299 C SER A 22 16.293 4.587 -1.003 1.00 0.00 C ATOM 300 O SER A 22 16.460 3.430 -0.619 1.00 0.00 O ATOM 301 CB SER A 22 16.817 6.850 -0.073 1.00 0.00 C ATOM 302 OG SER A 22 16.155 8.075 0.191 1.00 0.00 O ATOM 0 H SER A 22 16.613 4.910 1.753 1.00 0.00 H new ATOM 0 HA SER A 22 14.851 6.024 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.605 6.693 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.298 6.896 -1.050 1.00 0.00 H new ATOM 0 HG SER A 22 16.803 8.810 0.164 1.00 0.00 H new ATOM 308 N CYS A 23 16.494 4.967 -2.261 1.00 0.00 N ATOM 309 CA CYS A 23 16.931 4.026 -3.284 1.00 0.00 C ATOM 310 C CYS A 23 18.436 4.131 -3.514 1.00 0.00 C ATOM 311 O CYS A 23 18.928 5.135 -4.029 1.00 0.00 O ATOM 312 CB CYS A 23 16.185 4.282 -4.595 1.00 0.00 C ATOM 313 SG CYS A 23 14.407 3.889 -4.528 1.00 0.00 S ATOM 0 H CYS A 23 16.361 5.921 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 23 16.704 3.019 -2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.304 5.330 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.647 3.691 -5.385 1.00 0.00 H new ATOM 318 N LYS A 24 19.162 3.088 -3.128 1.00 0.00 N ATOM 319 CA LYS A 24 20.611 3.061 -3.292 1.00 0.00 C ATOM 320 C LYS A 24 21.043 1.846 -4.107 1.00 0.00 C ATOM 321 O LYS A 24 20.292 0.881 -4.247 1.00 0.00 O ATOM 322 CB LYS A 24 21.299 3.042 -1.925 1.00 0.00 C ATOM 323 CG LYS A 24 20.549 3.816 -0.855 1.00 0.00 C ATOM 324 CD LYS A 24 19.583 2.924 -0.094 1.00 0.00 C ATOM 325 CE LYS A 24 18.922 3.669 1.055 1.00 0.00 C ATOM 326 NZ LYS A 24 19.856 3.866 2.199 1.00 0.00 N ATOM 0 H LYS A 24 18.771 2.249 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 24 20.908 3.962 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.414 2.008 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.302 3.458 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.261 4.259 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.001 4.637 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.818 2.551 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.116 2.056 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.569 4.638 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.047 3.114 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.529 3.309 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.810 3.554 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.882 4.873 2.457 1.00 0.00 H new ATOM 340 N TYR A 25 22.258 1.901 -4.642 1.00 0.00 N ATOM 341 CA TYR A 25 22.790 0.806 -5.445 1.00 0.00 C ATOM 342 C TYR A 25 23.318 -0.315 -4.555 1.00 0.00 C ATOM 343 O TYR A 25 24.088 -0.074 -3.625 1.00 0.00 O ATOM 344 CB TYR A 25 23.904 1.313 -6.362 1.00 0.00 C ATOM 345 CG TYR A 25 24.556 0.222 -7.182 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.635 -0.497 -6.683 1.00 0.00 C ATOM 347 CD2 TYR A 25 24.094 -0.088 -8.455 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.235 -1.494 -7.429 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.686 -1.084 -9.207 1.00 0.00 C ATOM 350 CZ TYR A 25 25.756 -1.784 -8.690 1.00 0.00 C ATOM 351 OH TYR A 25 26.350 -2.776 -9.436 1.00 0.00 O ATOM 0 H TYR A 25 22.893 2.692 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 25 21.979 0.409 -6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.495 2.066 -7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.665 1.806 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 25 26.011 -0.273 -5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.257 0.459 -8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 25 27.074 -2.043 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.313 -1.313 -10.194 1.00 0.00 H new ATOM 0 HH TYR A 25 25.892 -2.855 -10.299 1.00 0.00 H new ATOM 361 N SER A 26 22.899 -1.542 -4.848 1.00 0.00 N ATOM 362 CA SER A 26 23.327 -2.701 -4.074 1.00 0.00 C ATOM 363 C SER A 26 24.299 -3.561 -4.875 1.00 0.00 C ATOM 364 O SER A 26 23.888 -4.387 -5.690 1.00 0.00 O ATOM 365 CB SER A 26 22.115 -3.536 -3.655 1.00 0.00 C ATOM 366 OG SER A 26 21.606 -3.106 -2.405 1.00 0.00 O ATOM 0 H SER A 26 22.264 -1.759 -5.616 1.00 0.00 H new ATOM 0 HA SER A 26 23.839 -2.342 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.337 -3.459 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.397 -4.587 -3.594 1.00 0.00 H new ATOM 0 HG SER A 26 21.198 -3.866 -1.939 1.00 0.00 H new ATOM 372 N ILE A 27 25.591 -3.360 -4.637 1.00 0.00 N ATOM 373 CA ILE A 27 26.623 -4.116 -5.335 1.00 0.00 C ATOM 374 C ILE A 27 26.389 -5.617 -5.201 1.00 0.00 C ATOM 375 O ILE A 27 26.470 -6.360 -6.180 1.00 0.00 O ATOM 376 CB ILE A 27 28.027 -3.778 -4.802 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.173 -2.267 -4.611 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.095 -4.302 -5.751 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.105 -1.832 -3.163 1.00 0.00 C ATOM 0 H ILE A 27 25.948 -2.680 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 27 26.565 -3.833 -6.386 1.00 0.00 H new ATOM 0 HB ILE A 27 28.158 -4.263 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.125 -1.946 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.387 -1.760 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.082 -4.055 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.001 -5.384 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.968 -3.843 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.216 -0.749 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.143 -2.122 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.907 -2.311 -2.601 1.00 0.00 H new ATOM 391 N LYS A 28 26.096 -6.059 -3.983 1.00 0.00 N ATOM 392 CA LYS A 28 25.847 -7.471 -3.719 1.00 0.00 C ATOM 393 C LYS A 28 24.707 -7.993 -4.588 1.00 0.00 C ATOM 394 O LYS A 28 24.700 -9.159 -4.983 1.00 0.00 O ATOM 395 CB LYS A 28 25.514 -7.684 -2.241 1.00 0.00 C ATOM 396 CG LYS A 28 24.396 -6.789 -1.734 1.00 0.00 C ATOM 397 CD LYS A 28 24.941 -5.593 -0.972 1.00 0.00 C ATOM 398 CE LYS A 28 24.034 -5.210 0.187 1.00 0.00 C ATOM 399 NZ LYS A 28 24.363 -3.862 0.728 1.00 0.00 N ATOM 0 H LYS A 28 26.025 -5.458 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 28 26.752 -8.026 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.232 -8.726 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.410 -7.505 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.796 -6.443 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 23.734 -7.364 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.937 -5.824 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 28 25.045 -4.745 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.996 -5.225 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.126 -5.952 0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.722 -3.638 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.346 -3.855 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.251 -3.150 -0.022 1.00 0.00 H new ATOM 413 N ARG A 29 23.747 -7.123 -4.883 1.00 0.00 N ATOM 414 CA ARG A 29 22.603 -7.497 -5.705 1.00 0.00 C ATOM 415 C ARG A 29 22.798 -7.041 -7.148 1.00 0.00 C ATOM 416 O ARG A 29 21.905 -7.188 -7.982 1.00 0.00 O ATOM 417 CB ARG A 29 21.318 -6.891 -5.137 1.00 0.00 C ATOM 418 CG ARG A 29 21.072 -7.242 -3.679 1.00 0.00 C ATOM 419 CD ARG A 29 19.877 -8.171 -3.524 1.00 0.00 C ATOM 420 NE ARG A 29 18.668 -7.610 -4.120 1.00 0.00 N ATOM 421 CZ ARG A 29 17.613 -8.339 -4.467 1.00 0.00 C ATOM 422 NH1 ARG A 29 17.620 -9.651 -4.278 1.00 0.00 N ATOM 423 NH2 ARG A 29 16.549 -7.756 -5.004 1.00 0.00 N ATOM 0 H ARG A 29 23.739 -6.154 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 29 22.520 -8.584 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.362 -5.807 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.471 -7.233 -5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.960 -7.717 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.902 -6.330 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 29 20.100 -9.130 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.703 -8.365 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 29 18.631 -6.603 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.436 -10.102 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.809 -10.209 -4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.540 -6.747 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.740 -8.317 -5.270 1.00 0.00 H new ATOM 437 N ASN A 30 23.972 -6.488 -7.435 1.00 0.00 N ATOM 438 CA ASN A 30 24.284 -6.009 -8.776 1.00 0.00 C ATOM 439 C ASN A 30 23.095 -5.267 -9.380 1.00 0.00 C ATOM 440 O ASN A 30 22.859 -5.328 -10.587 1.00 0.00 O ATOM 441 CB ASN A 30 24.680 -7.179 -9.679 1.00 0.00 C ATOM 442 CG ASN A 30 23.551 -8.175 -9.864 1.00 0.00 C ATOM 443 OD1 ASN A 30 23.348 -9.062 -9.035 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.809 -8.031 -10.956 1.00 0.00 N ATOM 0 H ASN A 30 24.723 -6.361 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 30 25.122 -5.316 -8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.986 -6.796 -10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.544 -7.688 -9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.035 -8.670 -11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.014 -7.281 -11.616 1.00 0.00 H new ATOM 451 N LEU A 31 22.350 -4.567 -8.532 1.00 0.00 N ATOM 452 CA LEU A 31 21.185 -3.812 -8.981 1.00 0.00 C ATOM 453 C LEU A 31 20.928 -2.615 -8.070 1.00 0.00 C ATOM 454 O LEU A 31 21.754 -2.278 -7.222 1.00 0.00 O ATOM 455 CB LEU A 31 19.951 -4.714 -9.017 1.00 0.00 C ATOM 456 CG LEU A 31 20.003 -5.884 -10.000 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.887 -6.875 -9.710 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.912 -5.380 -11.433 1.00 0.00 C ATOM 0 H LEU A 31 22.531 -4.506 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 31 21.387 -3.443 -9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.788 -5.114 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.084 -4.100 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 31 20.957 -6.396 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.940 -7.701 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.997 -7.260 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.923 -6.376 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.951 -6.226 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.973 -4.843 -11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.747 -4.709 -11.637 1.00 0.00 H new ATOM 470 N LYS A 32 19.776 -1.978 -8.250 1.00 0.00 N ATOM 471 CA LYS A 32 19.407 -0.821 -7.444 1.00 0.00 C ATOM 472 C LYS A 32 18.134 -1.096 -6.648 1.00 0.00 C ATOM 473 O LYS A 32 17.055 -1.249 -7.221 1.00 0.00 O ATOM 474 CB LYS A 32 19.208 0.406 -8.336 1.00 0.00 C ATOM 475 CG LYS A 32 20.359 0.654 -9.296 1.00 0.00 C ATOM 476 CD LYS A 32 20.162 -0.091 -10.606 1.00 0.00 C ATOM 477 CE LYS A 32 20.272 0.844 -11.800 1.00 0.00 C ATOM 478 NZ LYS A 32 19.975 0.145 -13.081 1.00 0.00 N ATOM 0 H LYS A 32 19.081 -2.244 -8.948 1.00 0.00 H new ATOM 0 HA LYS A 32 20.218 -0.625 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.289 0.283 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.076 1.285 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.446 1.722 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.294 0.338 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.907 -0.882 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.184 -0.573 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.582 1.678 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.277 1.265 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.061 0.816 -13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.649 -0.635 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.007 -0.235 -13.053 1.00 0.00 H new ATOM 492 N ILE A 33 18.269 -1.156 -5.328 1.00 0.00 N ATOM 493 CA ILE A 33 17.129 -1.409 -4.455 1.00 0.00 C ATOM 494 C ILE A 33 17.138 -0.471 -3.253 1.00 0.00 C ATOM 495 O ILE A 33 18.090 0.282 -3.046 1.00 0.00 O ATOM 496 CB ILE A 33 17.117 -2.866 -3.955 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.123 -3.046 -2.817 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.425 -3.821 -5.098 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.364 -4.493 -2.446 1.00 0.00 C ATOM 0 H ILE A 33 19.156 -1.033 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 33 16.232 -1.228 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 33 16.122 -3.096 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.070 -2.591 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.765 -2.509 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.413 -4.846 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.673 -3.708 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.410 -3.594 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.088 -4.544 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.426 -4.948 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.752 -5.031 -3.311 1.00 0.00 H new ATOM 511 N CYS A 34 16.072 -0.523 -2.462 1.00 0.00 N ATOM 512 CA CYS A 34 15.955 0.321 -1.279 1.00 0.00 C ATOM 513 C CYS A 34 16.671 -0.310 -0.088 1.00 0.00 C ATOM 514 O CYS A 34 16.903 -1.519 -0.058 1.00 0.00 O ATOM 515 CB CYS A 34 14.483 0.556 -0.937 1.00 0.00 C ATOM 516 SG CYS A 34 13.603 1.619 -2.126 1.00 0.00 S ATOM 0 H CYS A 34 15.276 -1.141 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 34 16.427 1.279 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.976 -0.407 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.419 1.007 0.053 1.00 0.00 H new ATOM 521 N VAL A 35 17.019 0.517 0.893 1.00 0.00 N ATOM 522 CA VAL A 35 17.707 0.041 2.087 1.00 0.00 C ATOM 523 C VAL A 35 17.279 0.830 3.319 1.00 0.00 C ATOM 524 O VAL A 35 17.783 1.924 3.574 1.00 0.00 O ATOM 525 CB VAL A 35 19.236 0.142 1.931 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.938 -0.549 3.090 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.676 -0.450 0.601 1.00 0.00 C ATOM 0 H VAL A 35 16.836 1.520 0.884 1.00 0.00 H new ATOM 0 HA VAL A 35 17.431 -1.006 2.216 1.00 0.00 H new ATOM 0 HB VAL A 35 19.516 1.195 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.017 -0.467 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.646 -0.075 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.654 -1.601 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.759 -0.370 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.384 -1.499 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.200 0.095 -0.215 1.00 0.00 H new TER 537 VAL A 35