USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 264 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -81:sc= 0.958 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.757 (180deg=-2.64!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -169:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.19! C(o=-3.2!,f=-3.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 4.299 -0.536 -1.104 1.00 0.00 N ATOM 9 CA CYS A 2 5.516 0.266 -1.121 1.00 0.00 C ATOM 10 C CYS A 2 6.740 -0.609 -1.373 1.00 0.00 C ATOM 11 O CYS A 2 6.667 -1.835 -1.292 1.00 0.00 O ATOM 12 CB CYS A 2 5.675 1.016 0.204 1.00 0.00 C ATOM 13 SG CYS A 2 5.573 -0.049 1.678 1.00 0.00 S ATOM 0 HA CYS A 2 5.435 0.989 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.637 1.529 0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.904 1.784 0.269 1.00 0.00 H new ATOM 18 N ILE A 3 7.864 0.031 -1.679 1.00 0.00 N ATOM 19 CA ILE A 3 9.104 -0.689 -1.942 1.00 0.00 C ATOM 20 C ILE A 3 9.906 -0.890 -0.660 1.00 0.00 C ATOM 21 O ILE A 3 10.391 0.070 -0.062 1.00 0.00 O ATOM 22 CB ILE A 3 9.979 0.054 -2.969 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.169 0.368 -4.228 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.207 -0.775 -3.317 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.065 1.848 -4.526 1.00 0.00 C ATOM 0 H ILE A 3 7.941 1.046 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 3 8.824 -1.661 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 3 10.312 0.994 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.627 -0.135 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.166 -0.043 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.815 -0.237 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.793 -0.954 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.894 -1.729 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.477 1.996 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.579 2.354 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.063 2.261 -4.669 1.00 0.00 H new ATOM 37 N ALA A 4 10.042 -2.145 -0.244 1.00 0.00 N ATOM 38 CA ALA A 4 10.787 -2.473 0.964 1.00 0.00 C ATOM 39 C ALA A 4 12.291 -2.426 0.712 1.00 0.00 C ATOM 40 O ALA A 4 12.736 -2.330 -0.432 1.00 0.00 O ATOM 41 CB ALA A 4 10.379 -3.844 1.480 1.00 0.00 C ATOM 0 H ALA A 4 9.645 -2.951 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 4 10.549 -1.726 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.944 -4.076 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.313 -3.844 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.587 -4.596 0.719 1.00 0.00 H new ATOM 47 N LYS A 5 13.069 -2.494 1.786 1.00 0.00 N ATOM 48 CA LYS A 5 14.523 -2.460 1.682 1.00 0.00 C ATOM 49 C LYS A 5 15.060 -3.780 1.137 1.00 0.00 C ATOM 50 O LYS A 5 15.739 -4.523 1.844 1.00 0.00 O ATOM 51 CB LYS A 5 15.146 -2.169 3.049 1.00 0.00 C ATOM 52 CG LYS A 5 14.697 -3.127 4.139 1.00 0.00 C ATOM 53 CD LYS A 5 15.791 -3.353 5.168 1.00 0.00 C ATOM 54 CE LYS A 5 15.684 -2.368 6.322 1.00 0.00 C ATOM 55 NZ LYS A 5 15.570 -3.061 7.635 1.00 0.00 N ATOM 0 H LYS A 5 12.717 -2.573 2.740 1.00 0.00 H new ATOM 0 HA LYS A 5 14.795 -1.664 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.231 -2.215 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.893 -1.151 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.810 -2.729 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.413 -4.080 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.727 -4.372 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.766 -3.252 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.560 -1.720 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.815 -1.727 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.499 -2.355 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.720 -3.660 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.411 -3.653 7.789 1.00 0.00 H new ATOM 69 N ASN A 6 14.752 -4.064 -0.124 1.00 0.00 N ATOM 70 CA ASN A 6 15.205 -5.294 -0.764 1.00 0.00 C ATOM 71 C ASN A 6 14.702 -5.376 -2.202 1.00 0.00 C ATOM 72 O ASN A 6 15.335 -5.994 -3.058 1.00 0.00 O ATOM 73 CB ASN A 6 14.724 -6.512 0.028 1.00 0.00 C ATOM 74 CG ASN A 6 15.257 -7.815 -0.536 1.00 0.00 C ATOM 75 OD1 ASN A 6 16.129 -7.817 -1.405 1.00 0.00 O ATOM 76 ND2 ASN A 6 14.733 -8.931 -0.042 1.00 0.00 N ATOM 0 H ASN A 6 14.190 -3.459 -0.723 1.00 0.00 H new ATOM 0 HA ASN A 6 16.295 -5.287 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.038 -6.414 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.634 -6.537 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 6 15.052 -9.838 -0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 6 14.012 -8.881 0.678 1.00 0.00 H new ATOM 83 N LYS A 7 13.559 -4.749 -2.460 1.00 0.00 N ATOM 84 CA LYS A 7 12.971 -4.749 -3.794 1.00 0.00 C ATOM 85 C LYS A 7 13.542 -3.616 -4.641 1.00 0.00 C ATOM 86 O LYS A 7 13.892 -2.557 -4.121 1.00 0.00 O ATOM 87 CB LYS A 7 11.449 -4.614 -3.702 1.00 0.00 C ATOM 88 CG LYS A 7 10.791 -5.696 -2.864 1.00 0.00 C ATOM 89 CD LYS A 7 9.778 -6.489 -3.672 1.00 0.00 C ATOM 90 CE LYS A 7 9.439 -7.810 -2.999 1.00 0.00 C ATOM 91 NZ LYS A 7 9.192 -8.892 -3.992 1.00 0.00 N ATOM 0 H LYS A 7 13.022 -4.234 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 7 13.218 -5.697 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.204 -3.640 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.029 -4.640 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.554 -6.370 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.297 -5.242 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.870 -5.900 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.175 -6.679 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.257 -8.102 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.555 -7.683 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.964 -9.776 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.395 -8.625 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.044 -9.032 -4.572 1.00 0.00 H new ATOM 105 N GLU A 8 13.633 -3.847 -5.947 1.00 0.00 N ATOM 106 CA GLU A 8 14.161 -2.845 -6.864 1.00 0.00 C ATOM 107 C GLU A 8 13.428 -1.517 -6.700 1.00 0.00 C ATOM 108 O GLU A 8 12.281 -1.479 -6.255 1.00 0.00 O ATOM 109 CB GLU A 8 14.041 -3.331 -8.310 1.00 0.00 C ATOM 110 CG GLU A 8 12.644 -3.182 -8.888 1.00 0.00 C ATOM 111 CD GLU A 8 12.510 -3.813 -10.261 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.142 -4.863 -10.496 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.771 -3.256 -11.100 1.00 0.00 O ATOM 0 H GLU A 8 13.348 -4.719 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 8 15.214 -2.691 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.743 -2.775 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.335 -4.380 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.924 -3.640 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.393 -2.123 -8.953 1.00 0.00 H new ATOM 120 N CYS A 9 14.100 -0.429 -7.062 1.00 0.00 N ATOM 121 CA CYS A 9 13.515 0.902 -6.955 1.00 0.00 C ATOM 122 C CYS A 9 14.083 1.834 -8.022 1.00 0.00 C ATOM 123 O CYS A 9 15.274 1.791 -8.327 1.00 0.00 O ATOM 124 CB CYS A 9 13.772 1.485 -5.564 1.00 0.00 C ATOM 125 SG CYS A 9 15.535 1.716 -5.169 1.00 0.00 S ATOM 0 H CYS A 9 15.050 -0.443 -7.432 1.00 0.00 H new ATOM 0 HA CYS A 9 12.440 0.812 -7.111 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.264 2.446 -5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.327 0.827 -4.818 1.00 0.00 H new ATOM 130 N ALA A 10 13.222 2.675 -8.584 1.00 0.00 N ATOM 131 CA ALA A 10 13.638 3.619 -9.615 1.00 0.00 C ATOM 132 C ALA A 10 13.472 5.058 -9.140 1.00 0.00 C ATOM 133 O ALA A 10 12.527 5.379 -8.419 1.00 0.00 O ATOM 134 CB ALA A 10 12.846 3.388 -10.893 1.00 0.00 C ATOM 0 H ALA A 10 12.232 2.722 -8.343 1.00 0.00 H new ATOM 0 HA ALA A 10 14.695 3.452 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.167 4.100 -11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.019 2.373 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.784 3.526 -10.693 1.00 0.00 H new ATOM 140 N TRP A 11 14.396 5.921 -9.548 1.00 0.00 N ATOM 141 CA TRP A 11 14.352 7.327 -9.163 1.00 0.00 C ATOM 142 C TRP A 11 13.097 8.001 -9.708 1.00 0.00 C ATOM 143 O TRP A 11 12.726 9.090 -9.269 1.00 0.00 O ATOM 144 CB TRP A 11 15.598 8.055 -9.670 1.00 0.00 C ATOM 145 CG TRP A 11 16.778 7.917 -8.756 1.00 0.00 C ATOM 146 CD1 TRP A 11 16.921 7.028 -7.730 1.00 0.00 C ATOM 147 CD2 TRP A 11 17.980 8.695 -8.786 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.140 7.205 -7.120 1.00 0.00 N ATOM 149 CE2 TRP A 11 18.808 8.222 -7.749 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.438 9.744 -9.588 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.066 8.763 -7.496 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.686 10.280 -9.335 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.489 9.789 -8.297 1.00 0.00 C ATOM 0 H TRP A 11 15.184 5.672 -10.145 1.00 0.00 H new ATOM 0 HA TRP A 11 14.327 7.380 -8.075 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.862 7.667 -10.654 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.366 9.113 -9.796 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.184 6.293 -7.440 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.490 6.667 -6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 11 17.827 10.129 -10.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.686 8.386 -6.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.049 11.092 -9.948 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.460 10.229 -8.126 1.00 0.00 H new ATOM 164 N PHE A 12 12.449 7.348 -10.667 1.00 0.00 N ATOM 165 CA PHE A 12 11.236 7.886 -11.272 1.00 0.00 C ATOM 166 C PHE A 12 10.140 6.826 -11.328 1.00 0.00 C ATOM 167 O PHE A 12 9.233 6.898 -12.157 1.00 0.00 O ATOM 168 CB PHE A 12 11.530 8.406 -12.680 1.00 0.00 C ATOM 169 CG PHE A 12 10.690 9.588 -13.071 1.00 0.00 C ATOM 170 CD1 PHE A 12 10.982 10.852 -12.587 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.608 9.434 -13.923 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.212 11.942 -12.945 1.00 0.00 C ATOM 173 CE2 PHE A 12 8.834 10.520 -14.285 1.00 0.00 C ATOM 174 CZ PHE A 12 9.135 11.776 -13.794 1.00 0.00 C ATOM 0 H PHE A 12 12.743 6.446 -11.042 1.00 0.00 H new ATOM 0 HA PHE A 12 10.887 8.712 -10.653 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.583 8.682 -12.744 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.367 7.601 -13.397 1.00 0.00 H new ATOM 0 HD1 PHE A 12 11.822 10.988 -11.922 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.367 8.454 -14.308 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.452 12.923 -12.561 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.994 10.387 -14.951 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.530 12.626 -14.073 1.00 0.00 H new ATOM 184 N SER A 13 10.231 5.842 -10.438 1.00 0.00 N ATOM 185 CA SER A 13 9.250 4.764 -10.388 1.00 0.00 C ATOM 186 C SER A 13 7.863 5.306 -10.056 1.00 0.00 C ATOM 187 O SER A 13 6.855 4.629 -10.254 1.00 0.00 O ATOM 188 CB SER A 13 9.663 3.718 -9.351 1.00 0.00 C ATOM 189 OG SER A 13 9.924 4.320 -8.095 1.00 0.00 O ATOM 0 H SER A 13 10.974 5.769 -9.742 1.00 0.00 H new ATOM 0 HA SER A 13 9.212 4.295 -11.371 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.872 2.975 -9.244 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.552 3.190 -9.696 1.00 0.00 H new ATOM 0 HG SER A 13 10.830 4.693 -8.093 1.00 0.00 H new ATOM 195 N GLY A 14 7.821 6.534 -9.548 1.00 0.00 N ATOM 196 CA GLY A 14 6.554 7.148 -9.195 1.00 0.00 C ATOM 197 C GLY A 14 6.174 6.904 -7.748 1.00 0.00 C ATOM 198 O GLY A 14 5.521 7.738 -7.122 1.00 0.00 O ATOM 0 H GLY A 14 8.642 7.115 -9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.611 8.221 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.771 6.756 -9.844 1.00 0.00 H new ATOM 202 N GLU A 15 6.584 5.757 -7.216 1.00 0.00 N ATOM 203 CA GLU A 15 6.280 5.405 -5.833 1.00 0.00 C ATOM 204 C GLU A 15 7.503 5.596 -4.942 1.00 0.00 C ATOM 205 O GLU A 15 8.575 5.976 -5.414 1.00 0.00 O ATOM 206 CB GLU A 15 5.793 3.957 -5.747 1.00 0.00 C ATOM 207 CG GLU A 15 6.641 2.981 -6.546 1.00 0.00 C ATOM 208 CD GLU A 15 5.928 2.463 -7.780 1.00 0.00 C ATOM 209 OE1 GLU A 15 5.036 3.172 -8.291 1.00 0.00 O ATOM 210 OE2 GLU A 15 6.261 1.349 -8.234 1.00 0.00 O ATOM 0 H GLU A 15 7.127 5.056 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 15 5.489 6.068 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.784 3.647 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.764 3.907 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.568 3.471 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.916 2.140 -5.910 1.00 0.00 H new ATOM 217 N TRP A 16 7.335 5.330 -3.652 1.00 0.00 N ATOM 218 CA TRP A 16 8.425 5.473 -2.693 1.00 0.00 C ATOM 219 C TRP A 16 8.632 4.182 -1.908 1.00 0.00 C ATOM 220 O TRP A 16 7.834 3.250 -2.005 1.00 0.00 O ATOM 221 CB TRP A 16 8.139 6.628 -1.733 1.00 0.00 C ATOM 222 CG TRP A 16 8.109 7.967 -2.406 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.329 8.334 -3.465 1.00 0.00 C ATOM 224 CD2 TRP A 16 8.895 9.114 -2.067 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.583 9.641 -3.804 1.00 0.00 N ATOM 226 CE2 TRP A 16 8.539 10.142 -2.961 1.00 0.00 C ATOM 227 CE3 TRP A 16 9.864 9.374 -1.093 1.00 0.00 C ATOM 228 CZ2 TRP A 16 9.119 11.407 -2.910 1.00 0.00 C ATOM 229 CZ3 TRP A 16 10.438 10.629 -1.044 1.00 0.00 C ATOM 230 CH2 TRP A 16 10.064 11.633 -1.947 1.00 0.00 C ATOM 0 H TRP A 16 6.454 5.014 -3.245 1.00 0.00 H new ATOM 0 HA TRP A 16 9.338 5.689 -3.248 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.181 6.454 -1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.900 6.639 -0.952 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.617 7.692 -3.963 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.132 10.155 -4.561 1.00 0.00 H new ATOM 0 HE3 TRP A 16 10.158 8.607 -0.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.833 12.182 -3.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.188 10.840 -0.297 1.00 0.00 H new ATOM 0 HH2 TRP A 16 10.531 12.605 -1.881 1.00 0.00 H new ATOM 241 N CYS A 17 9.709 4.133 -1.131 1.00 0.00 N ATOM 242 CA CYS A 17 10.022 2.957 -0.330 1.00 0.00 C ATOM 243 C CYS A 17 9.202 2.941 0.957 1.00 0.00 C ATOM 244 O CYS A 17 8.604 3.949 1.338 1.00 0.00 O ATOM 245 CB CYS A 17 11.515 2.923 0.004 1.00 0.00 C ATOM 246 SG CYS A 17 12.603 3.239 -1.423 1.00 0.00 S ATOM 0 H CYS A 17 10.380 4.896 -1.040 1.00 0.00 H new ATOM 0 HA CYS A 17 9.767 2.073 -0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.721 3.665 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.760 1.948 0.425 1.00 0.00 H new ATOM 251 N CYS A 18 9.177 1.792 1.623 1.00 0.00 N ATOM 252 CA CYS A 18 8.431 1.643 2.866 1.00 0.00 C ATOM 253 C CYS A 18 9.129 2.373 4.010 1.00 0.00 C ATOM 254 O CYS A 18 10.244 2.869 3.855 1.00 0.00 O ATOM 255 CB CYS A 18 8.269 0.162 3.215 1.00 0.00 C ATOM 256 SG CYS A 18 7.449 -0.821 1.919 1.00 0.00 S ATOM 0 H CYS A 18 9.666 0.949 1.322 1.00 0.00 H new ATOM 0 HA CYS A 18 7.445 2.085 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.253 -0.264 3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.695 0.078 4.138 1.00 0.00 H new ATOM 261 N GLY A 19 8.464 2.434 5.160 1.00 0.00 N ATOM 262 CA GLY A 19 9.035 3.104 6.313 1.00 0.00 C ATOM 263 C GLY A 19 9.512 4.507 5.991 1.00 0.00 C ATOM 264 O GLY A 19 8.705 5.410 5.776 1.00 0.00 O ATOM 0 H GLY A 19 7.540 2.031 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.291 3.150 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.871 2.517 6.693 1.00 0.00 H new ATOM 268 N ALA A 20 10.828 4.690 5.960 1.00 0.00 N ATOM 269 CA ALA A 20 11.411 5.992 5.662 1.00 0.00 C ATOM 270 C ALA A 20 12.775 5.843 4.996 1.00 0.00 C ATOM 271 O ALA A 20 13.687 6.634 5.241 1.00 0.00 O ATOM 272 CB ALA A 20 11.530 6.820 6.933 1.00 0.00 C ATOM 0 H ALA A 20 11.510 3.953 6.138 1.00 0.00 H new ATOM 0 HA ALA A 20 10.750 6.508 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.967 7.790 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.541 6.964 7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.168 6.300 7.648 1.00 0.00 H new ATOM 278 N LEU A 21 12.908 4.826 4.152 1.00 0.00 N ATOM 279 CA LEU A 21 14.162 4.573 3.450 1.00 0.00 C ATOM 280 C LEU A 21 14.113 5.130 2.031 1.00 0.00 C ATOM 281 O LEU A 21 13.037 5.375 1.486 1.00 0.00 O ATOM 282 CB LEU A 21 14.453 3.072 3.411 1.00 0.00 C ATOM 283 CG LEU A 21 14.166 2.298 4.698 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.572 0.935 4.381 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.435 2.150 5.526 1.00 0.00 C ATOM 0 H LEU A 21 12.163 4.163 3.937 1.00 0.00 H new ATOM 0 HA LEU A 21 14.962 5.078 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.866 2.629 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.503 2.933 3.154 1.00 0.00 H new ATOM 0 HG LEU A 21 13.438 2.861 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.375 0.399 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.640 1.063 3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.275 0.364 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.212 1.597 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.185 1.610 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.818 3.137 5.785 1.00 0.00 H new ATOM 297 N SER A 22 15.286 5.327 1.438 1.00 0.00 N ATOM 298 CA SER A 22 15.378 5.857 0.082 1.00 0.00 C ATOM 299 C SER A 22 15.887 4.791 -0.884 1.00 0.00 C ATOM 300 O SER A 22 16.041 3.626 -0.517 1.00 0.00 O ATOM 301 CB SER A 22 16.303 7.075 0.050 1.00 0.00 C ATOM 302 OG SER A 22 15.575 8.273 0.252 1.00 0.00 O ATOM 0 H SER A 22 16.186 5.128 1.875 1.00 0.00 H new ATOM 0 HA SER A 22 14.379 6.160 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.067 6.976 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.821 7.117 -0.908 1.00 0.00 H new ATOM 0 HG SER A 22 16.189 9.037 0.229 1.00 0.00 H new ATOM 308 N CYS A 23 16.146 5.200 -2.122 1.00 0.00 N ATOM 309 CA CYS A 23 16.637 4.283 -3.143 1.00 0.00 C ATOM 310 C CYS A 23 18.152 4.393 -3.290 1.00 0.00 C ATOM 311 O CYS A 23 18.688 5.476 -3.524 1.00 0.00 O ATOM 312 CB CYS A 23 15.961 4.572 -4.485 1.00 0.00 C ATOM 313 SG CYS A 23 16.341 3.354 -5.786 1.00 0.00 S ATOM 0 H CYS A 23 16.024 6.161 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 23 16.393 3.267 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.882 4.604 -4.337 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.266 5.561 -4.828 1.00 0.00 H new ATOM 318 N LYS A 24 18.838 3.263 -3.151 1.00 0.00 N ATOM 319 CA LYS A 24 20.291 3.230 -3.269 1.00 0.00 C ATOM 320 C LYS A 24 20.740 2.049 -4.123 1.00 0.00 C ATOM 321 O LYS A 24 20.001 1.080 -4.297 1.00 0.00 O ATOM 322 CB LYS A 24 20.934 3.145 -1.883 1.00 0.00 C ATOM 323 CG LYS A 24 20.235 3.994 -0.835 1.00 0.00 C ATOM 324 CD LYS A 24 19.114 3.228 -0.154 1.00 0.00 C ATOM 325 CE LYS A 24 18.807 3.796 1.223 1.00 0.00 C ATOM 326 NZ LYS A 24 18.789 5.285 1.218 1.00 0.00 N ATOM 0 H LYS A 24 18.410 2.358 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 24 20.612 4.151 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.934 2.105 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.976 3.457 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.959 4.321 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.831 4.892 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.217 3.267 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.393 2.178 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.841 3.422 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.553 3.444 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.100 5.626 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.735 5.644 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.519 5.626 0.273 1.00 0.00 H new ATOM 340 N TYR A 25 21.956 2.136 -4.652 1.00 0.00 N ATOM 341 CA TYR A 25 22.503 1.075 -5.489 1.00 0.00 C ATOM 342 C TYR A 25 23.070 -0.055 -4.634 1.00 0.00 C ATOM 343 O TYR A 25 23.772 0.186 -3.652 1.00 0.00 O ATOM 344 CB TYR A 25 23.593 1.631 -6.406 1.00 0.00 C ATOM 345 CG TYR A 25 24.249 0.580 -7.273 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.357 -0.128 -6.821 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.764 0.296 -8.543 1.00 0.00 C ATOM 348 CE1 TYR A 25 25.961 -1.088 -7.609 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.360 -0.664 -9.337 1.00 0.00 C ATOM 350 CZ TYR A 25 25.458 -1.353 -8.866 1.00 0.00 C ATOM 351 OH TYR A 25 26.056 -2.309 -9.655 1.00 0.00 O ATOM 0 H TYR A 25 22.581 2.930 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 25 21.694 0.674 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.160 2.400 -7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.356 2.116 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.752 0.076 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.906 0.835 -8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.822 -1.628 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.968 -0.874 -10.321 1.00 0.00 H new ATOM 0 HH TYR A 25 25.579 -2.374 -10.509 1.00 0.00 H new ATOM 361 N SER A 26 22.760 -1.290 -5.017 1.00 0.00 N ATOM 362 CA SER A 26 23.235 -2.458 -4.285 1.00 0.00 C ATOM 363 C SER A 26 24.231 -3.255 -5.122 1.00 0.00 C ATOM 364 O SER A 26 23.843 -4.035 -5.992 1.00 0.00 O ATOM 365 CB SER A 26 22.057 -3.350 -3.887 1.00 0.00 C ATOM 366 OG SER A 26 21.548 -2.986 -2.616 1.00 0.00 O ATOM 0 H SER A 26 22.183 -1.507 -5.829 1.00 0.00 H new ATOM 0 HA SER A 26 23.740 -2.111 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.268 -3.270 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.376 -4.392 -3.870 1.00 0.00 H new ATOM 0 HG SER A 26 20.918 -3.670 -2.308 1.00 0.00 H new ATOM 372 N ILE A 27 25.516 -3.052 -4.851 1.00 0.00 N ATOM 373 CA ILE A 27 26.569 -3.752 -5.578 1.00 0.00 C ATOM 374 C ILE A 27 26.416 -5.263 -5.447 1.00 0.00 C ATOM 375 O ILE A 27 26.553 -6.000 -6.424 1.00 0.00 O ATOM 376 CB ILE A 27 27.966 -3.343 -5.076 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.033 -1.830 -4.862 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.035 -3.792 -6.062 1.00 0.00 C ATOM 379 CD1 ILE A 27 27.971 -1.422 -3.407 1.00 0.00 C ATOM 0 H ILE A 27 25.853 -2.409 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 27 26.471 -3.469 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 27 28.151 -3.834 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 27 28.957 -1.450 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.210 -1.359 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.017 -3.496 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.999 -4.876 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.855 -3.326 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.024 -0.336 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.035 -1.771 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.810 -1.864 -2.869 1.00 0.00 H new ATOM 391 N LYS A 28 26.128 -5.720 -4.233 1.00 0.00 N ATOM 392 CA LYS A 28 25.953 -7.144 -3.972 1.00 0.00 C ATOM 393 C LYS A 28 24.805 -7.712 -4.802 1.00 0.00 C ATOM 394 O LYS A 28 24.865 -8.851 -5.263 1.00 0.00 O ATOM 395 CB LYS A 28 25.687 -7.382 -2.484 1.00 0.00 C ATOM 396 CG LYS A 28 24.578 -6.513 -1.917 1.00 0.00 C ATOM 397 CD LYS A 28 23.412 -7.350 -1.420 1.00 0.00 C ATOM 398 CE LYS A 28 23.625 -7.807 0.015 1.00 0.00 C ATOM 399 NZ LYS A 28 23.440 -9.277 0.162 1.00 0.00 N ATOM 0 H LYS A 28 26.011 -5.124 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 28 26.872 -7.656 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.429 -8.430 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.604 -7.196 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.970 -5.911 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.229 -5.821 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.492 -6.769 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.286 -8.220 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.629 -7.533 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.927 -7.286 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.594 -9.549 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.473 -9.535 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.123 -9.775 -0.443 1.00 0.00 H new ATOM 413 N ARG A 29 23.762 -6.909 -4.988 1.00 0.00 N ATOM 414 CA ARG A 29 22.602 -7.331 -5.762 1.00 0.00 C ATOM 415 C ARG A 29 22.732 -6.897 -7.219 1.00 0.00 C ATOM 416 O ARG A 29 21.811 -7.074 -8.015 1.00 0.00 O ATOM 417 CB ARG A 29 21.321 -6.752 -5.159 1.00 0.00 C ATOM 418 CG ARG A 29 21.046 -7.227 -3.741 1.00 0.00 C ATOM 419 CD ARG A 29 19.704 -7.934 -3.641 1.00 0.00 C ATOM 420 NE ARG A 29 19.692 -8.938 -2.580 1.00 0.00 N ATOM 421 CZ ARG A 29 19.720 -8.640 -1.286 1.00 0.00 C ATOM 422 NH1 ARG A 29 19.763 -7.373 -0.895 1.00 0.00 N ATOM 423 NH2 ARG A 29 19.707 -9.609 -0.380 1.00 0.00 N ATOM 0 H ARG A 29 23.697 -5.963 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 29 22.552 -8.419 -5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.388 -5.664 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.477 -7.022 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.839 -7.903 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.061 -6.375 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.920 -7.200 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.473 -8.411 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 29 19.660 -9.922 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.775 -6.625 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.784 -7.147 0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.675 -10.584 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.729 -9.379 0.613 1.00 0.00 H new ATOM 437 N ASN A 30 23.883 -6.326 -7.560 1.00 0.00 N ATOM 438 CA ASN A 30 24.133 -5.864 -8.921 1.00 0.00 C ATOM 439 C ASN A 30 22.909 -5.152 -9.488 1.00 0.00 C ATOM 440 O ASN A 30 22.631 -5.229 -10.685 1.00 0.00 O ATOM 441 CB ASN A 30 24.513 -7.043 -9.819 1.00 0.00 C ATOM 442 CG ASN A 30 23.394 -8.059 -9.943 1.00 0.00 C ATOM 443 OD1 ASN A 30 23.245 -8.941 -9.097 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.602 -7.941 -11.002 1.00 0.00 N ATOM 0 H ASN A 30 24.657 -6.172 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 30 24.961 -5.156 -8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.775 -6.672 -10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.401 -7.531 -9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.833 -8.597 -11.139 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.762 -7.194 -11.678 1.00 0.00 H new ATOM 451 N LEU A 31 22.181 -4.457 -8.620 1.00 0.00 N ATOM 452 CA LEU A 31 20.987 -3.729 -9.034 1.00 0.00 C ATOM 453 C LEU A 31 20.728 -2.540 -8.115 1.00 0.00 C ATOM 454 O LEU A 31 21.571 -2.183 -7.291 1.00 0.00 O ATOM 455 CB LEU A 31 19.773 -4.661 -9.034 1.00 0.00 C ATOM 456 CG LEU A 31 19.829 -5.835 -10.012 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.732 -6.841 -9.700 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.711 -5.342 -11.446 1.00 0.00 C ATOM 0 H LEU A 31 22.397 -4.383 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 31 21.152 -3.355 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.645 -5.058 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.886 -4.069 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 31 20.793 -6.331 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.787 -7.670 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.862 -7.219 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.759 -6.356 -9.784 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.753 -6.192 -12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.763 -4.820 -11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.533 -4.660 -11.665 1.00 0.00 H new ATOM 470 N LYS A 32 19.557 -1.930 -8.259 1.00 0.00 N ATOM 471 CA LYS A 32 19.184 -0.782 -7.441 1.00 0.00 C ATOM 472 C LYS A 32 17.932 -1.081 -6.623 1.00 0.00 C ATOM 473 O LYS A 32 16.847 -1.265 -7.176 1.00 0.00 O ATOM 474 CB LYS A 32 18.948 0.445 -8.324 1.00 0.00 C ATOM 475 CG LYS A 32 20.213 0.976 -8.977 1.00 0.00 C ATOM 476 CD LYS A 32 20.579 0.176 -10.216 1.00 0.00 C ATOM 477 CE LYS A 32 21.198 1.060 -11.287 1.00 0.00 C ATOM 478 NZ LYS A 32 21.475 0.303 -12.540 1.00 0.00 N ATOM 0 H LYS A 32 18.848 -2.212 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 32 20.005 -0.575 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.227 0.190 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.501 1.235 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.072 2.023 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.035 0.939 -8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.279 -0.615 -9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.688 -0.309 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.526 1.890 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.126 1.491 -10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.896 0.941 -13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.136 -0.474 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.586 -0.087 -12.914 1.00 0.00 H new ATOM 492 N ILE A 33 18.090 -1.127 -5.304 1.00 0.00 N ATOM 493 CA ILE A 33 16.971 -1.401 -4.411 1.00 0.00 C ATOM 494 C ILE A 33 16.963 -0.438 -3.228 1.00 0.00 C ATOM 495 O ILE A 33 17.914 0.316 -3.021 1.00 0.00 O ATOM 496 CB ILE A 33 17.014 -2.846 -3.881 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.027 -2.964 -2.740 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.358 -3.812 -5.004 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.317 -4.393 -2.335 1.00 0.00 C ATOM 0 H ILE A 33 18.981 -0.978 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 33 16.061 -1.264 -4.995 1.00 0.00 H new ATOM 0 HB ILE A 33 16.028 -3.105 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 33 18.958 -2.484 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.652 -2.418 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.385 -4.829 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.603 -3.743 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.334 -3.557 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.043 -4.401 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.395 -4.871 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.722 -4.938 -3.188 1.00 0.00 H new ATOM 511 N CYS A 34 15.884 -0.469 -2.454 1.00 0.00 N ATOM 512 CA CYS A 34 15.751 0.399 -1.290 1.00 0.00 C ATOM 513 C CYS A 34 16.510 -0.172 -0.096 1.00 0.00 C ATOM 514 O CYS A 34 16.764 -1.375 -0.025 1.00 0.00 O ATOM 515 CB CYS A 34 14.276 0.584 -0.931 1.00 0.00 C ATOM 516 SG CYS A 34 13.335 1.576 -2.135 1.00 0.00 S ATOM 0 H CYS A 34 15.088 -1.087 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 34 16.181 1.369 -1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.809 -0.397 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.208 1.060 0.047 1.00 0.00 H new ATOM 521 N VAL A 35 16.868 0.699 0.842 1.00 0.00 N ATOM 522 CA VAL A 35 17.596 0.282 2.035 1.00 0.00 C ATOM 523 C VAL A 35 17.246 1.163 3.228 1.00 0.00 C ATOM 524 O VAL A 35 17.993 2.077 3.579 1.00 0.00 O ATOM 525 CB VAL A 35 19.119 0.326 1.807 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.853 -0.310 2.978 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.482 -0.364 0.501 1.00 0.00 C ATOM 0 H VAL A 35 16.666 1.698 0.799 1.00 0.00 H new ATOM 0 HA VAL A 35 17.297 -0.745 2.246 1.00 0.00 H new ATOM 0 HB VAL A 35 19.429 1.369 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.927 -0.270 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.617 0.233 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.541 -1.349 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.562 -0.324 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.160 -1.405 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.985 0.141 -0.328 1.00 0.00 H new