USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=6 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+ -140:sc= 0.039 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -160:sc= -0.693 USER MOD Single : A 22 SER OG : rot 180:sc= 0.223 USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= 0.236 (180deg=-3.02!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.34! C(o=-3.3!,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.448 -0.645 -3.090 1.00 0.00 N ATOM 2 CA GLY A 1 2.326 -0.831 -1.949 1.00 0.00 C ATOM 3 C GLY A 1 3.541 0.074 -1.999 1.00 0.00 C ATOM 4 O GLY A 1 3.507 1.138 -2.618 1.00 0.00 O ATOM 0 H1 GLY A 1 0.457 -0.682 -2.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.638 0.279 -3.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.619 -1.399 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.770 -0.638 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.652 -1.870 -1.911 1.00 0.00 H new ATOM 8 N CYS A 2 4.618 -0.347 -1.344 1.00 0.00 N ATOM 9 CA CYS A 2 5.849 0.433 -1.314 1.00 0.00 C ATOM 10 C CYS A 2 7.066 -0.462 -1.530 1.00 0.00 C ATOM 11 O CYS A 2 6.966 -1.687 -1.468 1.00 0.00 O ATOM 12 CB CYS A 2 5.976 1.172 0.020 1.00 0.00 C ATOM 13 SG CYS A 2 5.838 0.095 1.483 1.00 0.00 S ATOM 0 H CYS A 2 4.663 -1.225 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 2 5.808 1.162 -2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.937 1.685 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.204 1.939 0.073 1.00 0.00 H new ATOM 18 N ILE A 3 8.212 0.160 -1.785 1.00 0.00 N ATOM 19 CA ILE A 3 9.448 -0.580 -2.010 1.00 0.00 C ATOM 20 C ILE A 3 10.197 -0.808 -0.702 1.00 0.00 C ATOM 21 O ILE A 3 10.695 0.135 -0.087 1.00 0.00 O ATOM 22 CB ILE A 3 10.373 0.155 -2.997 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.586 0.602 -4.231 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.536 -0.739 -3.399 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.442 2.104 -4.345 1.00 0.00 C ATOM 0 H ILE A 3 8.311 1.174 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 3 9.166 -1.542 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 3 10.775 1.041 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.082 0.224 -5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.594 0.151 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.181 -0.205 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.108 -1.012 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 3 11.153 -1.641 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.874 2.348 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.919 2.487 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.430 2.561 -4.406 1.00 0.00 H new ATOM 37 N ALA A 4 10.276 -2.067 -0.283 1.00 0.00 N ATOM 38 CA ALA A 4 10.969 -2.420 0.950 1.00 0.00 C ATOM 39 C ALA A 4 12.479 -2.450 0.742 1.00 0.00 C ATOM 40 O ALA A 4 12.967 -2.260 -0.372 1.00 0.00 O ATOM 41 CB ALA A 4 10.478 -3.765 1.465 1.00 0.00 C ATOM 0 H ALA A 4 9.869 -2.859 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 4 10.747 -1.655 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.004 -4.016 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.407 -3.710 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.670 -4.534 0.716 1.00 0.00 H new ATOM 47 N LYS A 5 13.215 -2.690 1.822 1.00 0.00 N ATOM 48 CA LYS A 5 14.671 -2.746 1.759 1.00 0.00 C ATOM 49 C LYS A 5 15.138 -4.049 1.118 1.00 0.00 C ATOM 50 O LYS A 5 15.748 -4.891 1.776 1.00 0.00 O ATOM 51 CB LYS A 5 15.269 -2.612 3.161 1.00 0.00 C ATOM 52 CG LYS A 5 16.786 -2.669 3.184 1.00 0.00 C ATOM 53 CD LYS A 5 17.288 -3.861 3.982 1.00 0.00 C ATOM 54 CE LYS A 5 17.519 -3.497 5.441 1.00 0.00 C ATOM 55 NZ LYS A 5 17.600 -4.704 6.308 1.00 0.00 N ATOM 0 H LYS A 5 12.827 -2.849 2.752 1.00 0.00 H new ATOM 0 HA LYS A 5 15.015 -1.915 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.943 -1.668 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.874 -3.408 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.164 -2.728 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.179 -1.749 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.564 -4.674 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.217 -4.227 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.441 -2.923 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.709 -2.855 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.758 -4.413 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.710 -5.239 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.389 -5.305 5.994 1.00 0.00 H new ATOM 69 N ASN A 6 14.849 -4.207 -0.170 1.00 0.00 N ATOM 70 CA ASN A 6 15.240 -5.408 -0.899 1.00 0.00 C ATOM 71 C ASN A 6 14.689 -5.384 -2.322 1.00 0.00 C ATOM 72 O ASN A 6 15.255 -5.993 -3.229 1.00 0.00 O ATOM 73 CB ASN A 6 14.745 -6.658 -0.169 1.00 0.00 C ATOM 74 CG ASN A 6 14.716 -7.879 -1.068 1.00 0.00 C ATOM 75 OD1 ASN A 6 15.663 -8.140 -1.810 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.626 -8.634 -1.004 1.00 0.00 N ATOM 0 H ASN A 6 14.346 -3.519 -0.730 1.00 0.00 H new ATOM 0 HA ASN A 6 16.329 -5.433 -0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.391 -6.855 0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.744 -6.475 0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.549 -9.469 -1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.865 -8.379 -0.374 1.00 0.00 H new ATOM 83 N LYS A 7 13.580 -4.676 -2.509 1.00 0.00 N ATOM 84 CA LYS A 7 12.951 -4.570 -3.820 1.00 0.00 C ATOM 85 C LYS A 7 13.576 -3.441 -4.633 1.00 0.00 C ATOM 86 O LYS A 7 13.976 -2.416 -4.082 1.00 0.00 O ATOM 87 CB LYS A 7 11.447 -4.333 -3.670 1.00 0.00 C ATOM 88 CG LYS A 7 10.750 -5.375 -2.812 1.00 0.00 C ATOM 89 CD LYS A 7 9.687 -6.125 -3.599 1.00 0.00 C ATOM 90 CE LYS A 7 8.719 -6.850 -2.677 1.00 0.00 C ATOM 91 NZ LYS A 7 7.753 -7.689 -3.437 1.00 0.00 N ATOM 0 H LYS A 7 13.098 -4.167 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 7 13.113 -5.509 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.285 -3.347 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.989 -4.323 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.485 -6.082 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.292 -4.890 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.137 -5.425 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.165 -6.844 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.279 -7.478 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.174 -6.121 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.111 -8.167 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.201 -7.086 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.272 -8.401 -3.990 1.00 0.00 H new ATOM 105 N GLU A 8 13.654 -3.635 -5.946 1.00 0.00 N ATOM 106 CA GLU A 8 14.230 -2.632 -6.833 1.00 0.00 C ATOM 107 C GLU A 8 13.559 -1.276 -6.629 1.00 0.00 C ATOM 108 O GLU A 8 12.442 -1.195 -6.117 1.00 0.00 O ATOM 109 CB GLU A 8 14.089 -3.068 -8.293 1.00 0.00 C ATOM 110 CG GLU A 8 12.683 -2.902 -8.845 1.00 0.00 C ATOM 111 CD GLU A 8 12.532 -3.479 -10.239 1.00 0.00 C ATOM 112 OE1 GLU A 8 12.480 -4.720 -10.367 1.00 0.00 O ATOM 113 OE2 GLU A 8 12.465 -2.687 -11.203 1.00 0.00 O ATOM 0 H GLU A 8 13.326 -4.477 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 8 15.288 -2.535 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.781 -2.489 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.384 -4.114 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.974 -3.389 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.427 -1.843 -8.865 1.00 0.00 H new ATOM 120 N CYS A 9 14.248 -0.215 -7.034 1.00 0.00 N ATOM 121 CA CYS A 9 13.721 1.138 -6.895 1.00 0.00 C ATOM 122 C CYS A 9 14.260 2.047 -7.996 1.00 0.00 C ATOM 123 O CYS A 9 15.442 1.994 -8.335 1.00 0.00 O ATOM 124 CB CYS A 9 14.082 1.710 -5.524 1.00 0.00 C ATOM 125 SG CYS A 9 15.871 1.923 -5.254 1.00 0.00 S ATOM 0 H CYS A 9 15.173 -0.265 -7.461 1.00 0.00 H new ATOM 0 HA CYS A 9 12.636 1.090 -6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.590 2.675 -5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.685 1.052 -4.752 1.00 0.00 H new ATOM 130 N ALA A 10 13.385 2.879 -8.550 1.00 0.00 N ATOM 131 CA ALA A 10 13.773 3.801 -9.611 1.00 0.00 C ATOM 132 C ALA A 10 13.619 5.250 -9.161 1.00 0.00 C ATOM 133 O ALA A 10 12.684 5.589 -8.436 1.00 0.00 O ATOM 134 CB ALA A 10 12.946 3.544 -10.862 1.00 0.00 C ATOM 0 H ALA A 10 12.402 2.934 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 10 14.824 3.629 -9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.246 4.239 -11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.109 2.521 -11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.889 3.687 -10.635 1.00 0.00 H new ATOM 140 N TRP A 11 14.543 6.100 -9.596 1.00 0.00 N ATOM 141 CA TRP A 11 14.510 7.513 -9.237 1.00 0.00 C ATOM 142 C TRP A 11 13.239 8.177 -9.757 1.00 0.00 C ATOM 143 O TRP A 11 12.872 9.267 -9.317 1.00 0.00 O ATOM 144 CB TRP A 11 15.740 8.231 -9.795 1.00 0.00 C ATOM 145 CG TRP A 11 16.953 8.091 -8.927 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.127 7.212 -7.896 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.161 8.855 -9.013 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.370 7.384 -7.336 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.025 8.385 -8.004 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.599 9.888 -9.846 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.297 8.915 -7.807 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.862 10.414 -9.649 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.699 9.926 -8.637 1.00 0.00 C ATOM 0 H TRP A 11 15.323 5.835 -10.197 1.00 0.00 H new ATOM 0 HA TRP A 11 14.517 7.586 -8.150 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.964 7.837 -10.786 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.510 9.289 -9.918 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.395 6.488 -7.569 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.744 6.852 -6.550 1.00 0.00 H new ATOM 0 HE3 TRP A 11 17.962 10.269 -10.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.944 8.542 -7.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.209 11.214 -10.286 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.681 10.356 -8.509 1.00 0.00 H new ATOM 164 N PHE A 12 12.571 7.514 -10.695 1.00 0.00 N ATOM 165 CA PHE A 12 11.341 8.041 -11.275 1.00 0.00 C ATOM 166 C PHE A 12 10.250 6.975 -11.297 1.00 0.00 C ATOM 167 O PHE A 12 9.311 7.049 -12.090 1.00 0.00 O ATOM 168 CB PHE A 12 11.600 8.552 -12.693 1.00 0.00 C ATOM 169 CG PHE A 12 10.747 9.730 -13.071 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.044 10.997 -12.597 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.649 9.569 -13.900 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.260 12.082 -12.942 1.00 0.00 C ATOM 173 CE2 PHE A 12 8.861 10.650 -14.249 1.00 0.00 C ATOM 174 CZ PHE A 12 9.168 11.909 -13.770 1.00 0.00 C ATOM 0 H PHE A 12 12.861 6.611 -11.070 1.00 0.00 H new ATOM 0 HA PHE A 12 11.001 8.870 -10.654 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.650 8.830 -12.784 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.422 7.742 -13.401 1.00 0.00 H new ATOM 0 HD1 PHE A 12 11.898 11.139 -11.951 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.406 8.587 -14.278 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.501 13.065 -12.564 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.007 10.511 -14.895 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.556 12.756 -14.042 1.00 0.00 H new ATOM 184 N SER A 13 10.382 5.983 -10.422 1.00 0.00 N ATOM 185 CA SER A 13 9.410 4.899 -10.343 1.00 0.00 C ATOM 186 C SER A 13 8.017 5.439 -10.033 1.00 0.00 C ATOM 187 O SER A 13 7.012 4.776 -10.283 1.00 0.00 O ATOM 188 CB SER A 13 9.827 3.888 -9.273 1.00 0.00 C ATOM 189 OG SER A 13 9.425 4.315 -7.984 1.00 0.00 O ATOM 0 H SER A 13 11.153 5.908 -9.758 1.00 0.00 H new ATOM 0 HA SER A 13 9.380 4.400 -11.312 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.383 2.917 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.909 3.756 -9.295 1.00 0.00 H new ATOM 0 HG SER A 13 9.955 3.848 -7.305 1.00 0.00 H new ATOM 195 N GLY A 14 7.967 6.650 -9.485 1.00 0.00 N ATOM 196 CA GLY A 14 6.694 7.260 -9.148 1.00 0.00 C ATOM 197 C GLY A 14 6.268 6.965 -7.724 1.00 0.00 C ATOM 198 O GLY A 14 5.515 7.730 -7.124 1.00 0.00 O ATOM 0 H GLY A 14 8.785 7.219 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.764 8.339 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.929 6.899 -9.835 1.00 0.00 H new ATOM 202 N GLU A 15 6.751 5.851 -7.182 1.00 0.00 N ATOM 203 CA GLU A 15 6.413 5.456 -5.820 1.00 0.00 C ATOM 204 C GLU A 15 7.579 5.721 -4.871 1.00 0.00 C ATOM 205 O GLU A 15 8.610 6.258 -5.275 1.00 0.00 O ATOM 206 CB GLU A 15 6.031 3.975 -5.774 1.00 0.00 C ATOM 207 CG GLU A 15 6.985 3.076 -6.542 1.00 0.00 C ATOM 208 CD GLU A 15 6.934 1.635 -6.074 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.072 1.315 -5.229 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.757 0.827 -6.553 1.00 0.00 O ATOM 0 H GLU A 15 7.377 5.207 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 15 5.561 6.054 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.996 3.650 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.026 3.855 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.742 3.118 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.002 3.454 -6.432 1.00 0.00 H new ATOM 217 N TRP A 16 7.406 5.342 -3.611 1.00 0.00 N ATOM 218 CA TRP A 16 8.443 5.539 -2.604 1.00 0.00 C ATOM 219 C TRP A 16 8.673 4.263 -1.803 1.00 0.00 C ATOM 220 O TRP A 16 7.813 3.383 -1.756 1.00 0.00 O ATOM 221 CB TRP A 16 8.059 6.684 -1.665 1.00 0.00 C ATOM 222 CG TRP A 16 7.449 7.855 -2.373 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.951 8.504 -3.466 1.00 0.00 C ATOM 224 CD2 TRP A 16 6.226 8.518 -2.038 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.112 9.530 -3.829 1.00 0.00 N ATOM 226 CE2 TRP A 16 6.046 9.559 -2.970 1.00 0.00 C ATOM 227 CE3 TRP A 16 5.263 8.332 -1.042 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.944 10.409 -2.932 1.00 0.00 C ATOM 229 CZ3 TRP A 16 4.170 9.177 -1.006 1.00 0.00 C ATOM 230 CH2 TRP A 16 4.017 10.205 -1.947 1.00 0.00 C ATOM 0 H TRP A 16 6.558 4.896 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 16 9.370 5.795 -3.117 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.355 6.313 -0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.947 7.016 -1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.871 8.248 -3.970 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.259 10.167 -4.612 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.371 7.542 -0.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.825 11.202 -3.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.421 9.043 -0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.151 10.848 -1.893 1.00 0.00 H new ATOM 241 N CYS A 17 9.839 4.168 -1.172 1.00 0.00 N ATOM 242 CA CYS A 17 10.183 2.999 -0.372 1.00 0.00 C ATOM 243 C CYS A 17 9.384 2.974 0.927 1.00 0.00 C ATOM 244 O CYS A 17 8.805 3.983 1.332 1.00 0.00 O ATOM 245 CB CYS A 17 11.682 2.990 -0.062 1.00 0.00 C ATOM 246 SG CYS A 17 12.739 3.371 -1.496 1.00 0.00 S ATOM 0 H CYS A 17 10.562 4.887 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 17 9.932 2.109 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.883 3.714 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.956 2.010 0.328 1.00 0.00 H new ATOM 251 N CYS A 18 9.356 1.815 1.577 1.00 0.00 N ATOM 252 CA CYS A 18 8.628 1.657 2.830 1.00 0.00 C ATOM 253 C CYS A 18 9.351 2.367 3.971 1.00 0.00 C ATOM 254 O CYS A 18 10.469 2.853 3.806 1.00 0.00 O ATOM 255 CB CYS A 18 8.460 0.173 3.163 1.00 0.00 C ATOM 256 SG CYS A 18 7.585 -0.782 1.882 1.00 0.00 S ATOM 0 H CYS A 18 9.830 0.971 1.256 1.00 0.00 H new ATOM 0 HA CYS A 18 7.643 2.109 2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.445 -0.267 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.917 0.082 4.104 1.00 0.00 H new ATOM 261 N GLY A 19 8.702 2.423 5.131 1.00 0.00 N ATOM 262 CA GLY A 19 9.297 3.075 6.283 1.00 0.00 C ATOM 263 C GLY A 19 9.746 4.491 5.980 1.00 0.00 C ATOM 264 O GLY A 19 8.922 5.393 5.834 1.00 0.00 O ATOM 0 H GLY A 19 7.775 2.029 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.575 3.093 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.152 2.492 6.626 1.00 0.00 H new ATOM 268 N ALA A 20 11.058 4.686 5.886 1.00 0.00 N ATOM 269 CA ALA A 20 11.615 6.002 5.599 1.00 0.00 C ATOM 270 C ALA A 20 12.954 5.885 4.877 1.00 0.00 C ATOM 271 O ALA A 20 13.819 6.752 5.008 1.00 0.00 O ATOM 272 CB ALA A 20 11.774 6.800 6.884 1.00 0.00 C ATOM 0 H ALA A 20 11.754 3.950 6.004 1.00 0.00 H new ATOM 0 HA ALA A 20 10.922 6.528 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.191 7.781 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.801 6.922 7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.444 6.270 7.561 1.00 0.00 H new ATOM 278 N LEU A 21 13.118 4.809 4.116 1.00 0.00 N ATOM 279 CA LEU A 21 14.353 4.578 3.374 1.00 0.00 C ATOM 280 C LEU A 21 14.265 5.173 1.972 1.00 0.00 C ATOM 281 O LEU A 21 13.174 5.435 1.466 1.00 0.00 O ATOM 282 CB LEU A 21 14.646 3.079 3.287 1.00 0.00 C ATOM 283 CG LEU A 21 14.419 2.275 4.567 1.00 0.00 C ATOM 284 CD1 LEU A 21 14.021 0.845 4.236 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.667 2.295 5.438 1.00 0.00 C ATOM 0 H LEU A 21 12.412 4.083 3.996 1.00 0.00 H new ATOM 0 HA LEU A 21 15.166 5.070 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.025 2.653 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.684 2.949 2.980 1.00 0.00 H new ATOM 0 HG LEU A 21 13.604 2.738 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.864 0.288 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.100 0.849 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.814 0.371 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.487 1.718 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.501 1.858 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.908 3.324 5.705 1.00 0.00 H new ATOM 297 N SER A 22 15.420 5.382 1.350 1.00 0.00 N ATOM 298 CA SER A 22 15.474 5.948 0.007 1.00 0.00 C ATOM 299 C SER A 22 15.972 4.914 -0.998 1.00 0.00 C ATOM 300 O SER A 22 16.074 3.727 -0.687 1.00 0.00 O ATOM 301 CB SER A 22 16.384 7.177 -0.016 1.00 0.00 C ATOM 302 OG SER A 22 16.215 7.915 -1.213 1.00 0.00 O ATOM 0 H SER A 22 16.332 5.168 1.754 1.00 0.00 H new ATOM 0 HA SER A 22 14.465 6.247 -0.275 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.163 7.813 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.424 6.865 0.079 1.00 0.00 H new ATOM 0 HG SER A 22 16.807 8.696 -1.202 1.00 0.00 H new ATOM 308 N CYS A 23 16.281 5.373 -2.206 1.00 0.00 N ATOM 309 CA CYS A 23 16.768 4.491 -3.259 1.00 0.00 C ATOM 310 C CYS A 23 18.286 4.582 -3.387 1.00 0.00 C ATOM 311 O CYS A 23 18.842 5.667 -3.560 1.00 0.00 O ATOM 312 CB CYS A 23 16.111 4.845 -4.595 1.00 0.00 C ATOM 313 SG CYS A 23 16.475 3.669 -5.938 1.00 0.00 S ATOM 0 H CYS A 23 16.202 6.352 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 23 16.504 3.468 -2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.031 4.896 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.441 5.839 -4.898 1.00 0.00 H new ATOM 318 N LYS A 24 18.951 3.435 -3.300 1.00 0.00 N ATOM 319 CA LYS A 24 20.405 3.383 -3.407 1.00 0.00 C ATOM 320 C LYS A 24 20.849 2.143 -4.176 1.00 0.00 C ATOM 321 O LYS A 24 20.097 1.177 -4.304 1.00 0.00 O ATOM 322 CB LYS A 24 21.039 3.387 -2.014 1.00 0.00 C ATOM 323 CG LYS A 24 20.313 4.274 -1.018 1.00 0.00 C ATOM 324 CD LYS A 24 19.203 3.520 -0.305 1.00 0.00 C ATOM 325 CE LYS A 24 18.839 4.180 1.016 1.00 0.00 C ATOM 326 NZ LYS A 24 19.956 4.106 1.998 1.00 0.00 N ATOM 0 H LYS A 24 18.506 2.528 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 24 20.737 4.266 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.061 2.367 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.074 3.719 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.023 4.657 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.894 5.137 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.322 3.476 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.518 2.492 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.578 5.224 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.956 3.696 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.652 3.558 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.775 3.641 1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.221 5.067 2.295 1.00 0.00 H new ATOM 340 N TYR A 25 22.077 2.176 -4.683 1.00 0.00 N ATOM 341 CA TYR A 25 22.621 1.055 -5.440 1.00 0.00 C ATOM 342 C TYR A 25 23.140 -0.033 -4.505 1.00 0.00 C ATOM 343 O TYR A 25 23.814 0.253 -3.515 1.00 0.00 O ATOM 344 CB TYR A 25 23.746 1.532 -6.360 1.00 0.00 C ATOM 345 CG TYR A 25 24.375 0.423 -7.173 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.430 -0.325 -6.664 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.914 0.123 -8.449 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.008 -1.339 -7.404 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.486 -0.890 -9.194 1.00 0.00 C ATOM 350 CZ TYR A 25 25.532 -1.618 -8.668 1.00 0.00 C ATOM 351 OH TYR A 25 26.105 -2.627 -9.407 1.00 0.00 O ATOM 0 H TYR A 25 22.714 2.967 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 25 21.818 0.635 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.353 2.290 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.517 2.012 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.804 -0.110 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.095 0.691 -8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.828 -1.910 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.115 -1.111 -10.184 1.00 0.00 H new ATOM 0 HH TYR A 25 25.653 -2.695 -10.274 1.00 0.00 H new ATOM 361 N SER A 26 22.822 -1.283 -4.827 1.00 0.00 N ATOM 362 CA SER A 26 23.253 -2.415 -4.016 1.00 0.00 C ATOM 363 C SER A 26 24.211 -3.309 -4.796 1.00 0.00 C ATOM 364 O SER A 26 23.787 -4.138 -5.601 1.00 0.00 O ATOM 365 CB SER A 26 22.042 -3.227 -3.553 1.00 0.00 C ATOM 366 OG SER A 26 21.556 -2.755 -2.308 1.00 0.00 O ATOM 0 H SER A 26 22.267 -1.537 -5.644 1.00 0.00 H new ATOM 0 HA SER A 26 23.777 -2.026 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.252 -3.166 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.317 -4.278 -3.464 1.00 0.00 H new ATOM 0 HG SER A 26 21.296 -3.516 -1.748 1.00 0.00 H new ATOM 372 N ILE A 27 25.505 -3.134 -4.551 1.00 0.00 N ATOM 373 CA ILE A 27 26.525 -3.925 -5.229 1.00 0.00 C ATOM 374 C ILE A 27 26.299 -5.417 -5.009 1.00 0.00 C ATOM 375 O ILE A 27 26.411 -6.217 -5.939 1.00 0.00 O ATOM 376 CB ILE A 27 27.939 -3.555 -4.745 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.078 -2.036 -4.623 1.00 0.00 C ATOM 378 CG2 ILE A 27 28.987 -4.113 -5.696 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.030 -1.538 -3.195 1.00 0.00 C ATOM 0 H ILE A 27 25.872 -2.451 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 27 26.444 -3.700 -6.292 1.00 0.00 H new ATOM 0 HB ILE A 27 28.098 -3.996 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.021 -1.728 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.280 -1.559 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 27 29.981 -3.843 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.899 -5.199 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.833 -3.698 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.134 -0.453 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.077 -1.815 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.844 -1.986 -2.626 1.00 0.00 H new ATOM 391 N LYS A 28 25.979 -5.786 -3.774 1.00 0.00 N ATOM 392 CA LYS A 28 25.733 -7.181 -3.431 1.00 0.00 C ATOM 393 C LYS A 28 24.610 -7.762 -4.283 1.00 0.00 C ATOM 394 O LYS A 28 24.658 -8.926 -4.682 1.00 0.00 O ATOM 395 CB LYS A 28 25.379 -7.309 -1.947 1.00 0.00 C ATOM 396 CG LYS A 28 24.261 -6.380 -1.507 1.00 0.00 C ATOM 397 CD LYS A 28 23.025 -7.157 -1.086 1.00 0.00 C ATOM 398 CE LYS A 28 23.254 -7.906 0.219 1.00 0.00 C ATOM 399 NZ LYS A 28 22.030 -7.930 1.067 1.00 0.00 N ATOM 0 H LYS A 28 25.884 -5.137 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 28 26.645 -7.743 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.088 -8.339 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.268 -7.102 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.605 -5.763 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.006 -5.703 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.185 -6.472 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.754 -7.864 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.565 -8.928 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.068 -7.435 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.227 -8.449 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.747 -6.956 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.260 -8.402 0.552 1.00 0.00 H new ATOM 413 N ARG A 29 23.600 -6.943 -4.561 1.00 0.00 N ATOM 414 CA ARG A 29 22.465 -7.376 -5.367 1.00 0.00 C ATOM 415 C ARG A 29 22.662 -6.996 -6.832 1.00 0.00 C ATOM 416 O ARG A 29 21.765 -7.173 -7.655 1.00 0.00 O ATOM 417 CB ARG A 29 21.171 -6.757 -4.838 1.00 0.00 C ATOM 418 CG ARG A 29 20.703 -7.355 -3.521 1.00 0.00 C ATOM 419 CD ARG A 29 19.253 -7.805 -3.597 1.00 0.00 C ATOM 420 NE ARG A 29 18.970 -8.898 -2.671 1.00 0.00 N ATOM 421 CZ ARG A 29 19.265 -10.169 -2.920 1.00 0.00 C ATOM 422 NH1 ARG A 29 19.850 -10.505 -4.062 1.00 0.00 N ATOM 423 NH2 ARG A 29 18.976 -11.106 -2.027 1.00 0.00 N ATOM 0 H ARG A 29 23.545 -5.976 -4.240 1.00 0.00 H new ATOM 0 HA ARG A 29 22.395 -8.462 -5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.318 -5.685 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.386 -6.884 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.335 -8.204 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.815 -6.618 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.600 -6.962 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.025 -8.123 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 29 18.521 -8.673 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.074 -9.787 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.076 -11.482 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.527 -10.851 -1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.203 -12.082 -2.220 1.00 0.00 H new ATOM 437 N ASN A 30 23.842 -6.472 -7.149 1.00 0.00 N ATOM 438 CA ASN A 30 24.156 -6.066 -8.514 1.00 0.00 C ATOM 439 C ASN A 30 22.978 -5.332 -9.147 1.00 0.00 C ATOM 440 O ASN A 30 22.743 -5.435 -10.352 1.00 0.00 O ATOM 441 CB ASN A 30 24.525 -7.286 -9.359 1.00 0.00 C ATOM 442 CG ASN A 30 23.375 -8.265 -9.495 1.00 0.00 C ATOM 443 OD1 ASN A 30 23.163 -9.115 -8.630 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.625 -8.149 -10.585 1.00 0.00 N ATOM 0 H ASN A 30 24.596 -6.319 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 30 25.008 -5.387 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.837 -6.957 -10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.378 -7.792 -8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.837 -8.779 -10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.837 -7.429 -11.276 1.00 0.00 H new ATOM 451 N LEU A 31 22.240 -4.590 -8.328 1.00 0.00 N ATOM 452 CA LEU A 31 21.086 -3.838 -8.808 1.00 0.00 C ATOM 453 C LEU A 31 20.832 -2.614 -7.933 1.00 0.00 C ATOM 454 O LEU A 31 21.653 -2.262 -7.085 1.00 0.00 O ATOM 455 CB LEU A 31 19.844 -4.730 -8.830 1.00 0.00 C ATOM 456 CG LEU A 31 19.902 -5.938 -9.766 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.761 -6.898 -9.468 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.857 -5.489 -11.220 1.00 0.00 C ATOM 0 H LEU A 31 22.420 -4.493 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 31 21.300 -3.499 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.661 -5.089 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.987 -4.118 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 31 20.844 -6.460 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.818 -7.752 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.837 -7.245 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.809 -6.387 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.899 -6.362 -11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.932 -4.943 -11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.708 -4.840 -11.427 1.00 0.00 H new ATOM 470 N LYS A 32 19.689 -1.970 -8.143 1.00 0.00 N ATOM 471 CA LYS A 32 19.324 -0.788 -7.372 1.00 0.00 C ATOM 472 C LYS A 32 18.056 -1.038 -6.561 1.00 0.00 C ATOM 473 O LYS A 32 16.971 -1.193 -7.121 1.00 0.00 O ATOM 474 CB LYS A 32 19.119 0.410 -8.303 1.00 0.00 C ATOM 475 CG LYS A 32 20.408 0.938 -8.907 1.00 0.00 C ATOM 476 CD LYS A 32 20.731 0.247 -10.222 1.00 0.00 C ATOM 477 CE LYS A 32 19.898 0.806 -11.365 1.00 0.00 C ATOM 478 NZ LYS A 32 19.201 -0.271 -12.121 1.00 0.00 N ATOM 0 H LYS A 32 18.999 -2.247 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 32 20.139 -0.569 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.442 0.123 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.633 1.212 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.321 2.012 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.228 0.788 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.790 0.370 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.548 -0.823 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.163 1.507 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.541 1.368 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.644 0.150 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.904 -0.926 -12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.568 -0.791 -11.480 1.00 0.00 H new ATOM 492 N ILE A 33 18.202 -1.073 -5.241 1.00 0.00 N ATOM 493 CA ILE A 33 17.067 -1.301 -4.354 1.00 0.00 C ATOM 494 C ILE A 33 17.071 -0.313 -3.192 1.00 0.00 C ATOM 495 O ILE A 33 18.017 0.455 -3.019 1.00 0.00 O ATOM 496 CB ILE A 33 17.071 -2.736 -3.793 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.088 -2.860 -2.657 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.378 -3.735 -4.898 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.463 -4.290 -2.335 1.00 0.00 C ATOM 0 H ILE A 33 19.094 -0.947 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 33 16.166 -1.155 -4.950 1.00 0.00 H new ATOM 0 HB ILE A 33 16.081 -2.958 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 33 18.989 -2.308 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.680 -2.390 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.377 -4.744 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.619 -3.660 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.358 -3.517 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.187 -4.302 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.572 -4.841 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.901 -4.759 -3.216 1.00 0.00 H new ATOM 511 N CYS A 34 16.007 -0.341 -2.397 1.00 0.00 N ATOM 512 CA CYS A 34 15.886 0.551 -1.250 1.00 0.00 C ATOM 513 C CYS A 34 16.683 0.020 -0.062 1.00 0.00 C ATOM 514 O CYS A 34 16.885 -1.187 0.075 1.00 0.00 O ATOM 515 CB CYS A 34 14.416 0.717 -0.858 1.00 0.00 C ATOM 516 SG CYS A 34 13.434 1.684 -2.049 1.00 0.00 S ATOM 0 H CYS A 34 15.216 -0.972 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 34 16.291 1.522 -1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.966 -0.270 -0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.363 1.201 0.117 1.00 0.00 H new ATOM 521 N VAL A 35 17.134 0.930 0.796 1.00 0.00 N ATOM 522 CA VAL A 35 17.908 0.554 1.973 1.00 0.00 C ATOM 523 C VAL A 35 17.584 1.460 3.156 1.00 0.00 C ATOM 524 O VAL A 35 18.350 2.365 3.486 1.00 0.00 O ATOM 525 CB VAL A 35 19.421 0.616 1.693 1.00 0.00 C ATOM 526 CG1 VAL A 35 20.200 -0.040 2.823 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.743 -0.042 0.360 1.00 0.00 C ATOM 0 H VAL A 35 16.976 1.933 0.698 1.00 0.00 H new ATOM 0 HA VAL A 35 17.633 -0.472 2.218 1.00 0.00 H new ATOM 0 HB VAL A 35 19.720 1.663 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.267 0.013 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.992 0.480 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.900 -1.084 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.816 0.011 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.430 -1.086 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.214 0.477 -0.439 1.00 0.00 H new TER 537 VAL A 35