USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=4 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= -0.0108 X(o=-0.011,f=-0.18) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -81:sc= 0.389 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -3.18! C(o=-3.2!,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 4.374 -0.259 -0.838 1.00 0.00 N ATOM 9 CA CYS A 2 5.626 0.484 -0.915 1.00 0.00 C ATOM 10 C CYS A 2 6.799 -0.454 -1.187 1.00 0.00 C ATOM 11 O CYS A 2 6.664 -1.675 -1.100 1.00 0.00 O ATOM 12 CB CYS A 2 5.867 1.256 0.384 1.00 0.00 C ATOM 13 SG CYS A 2 5.746 0.235 1.888 1.00 0.00 S ATOM 0 HA CYS A 2 5.549 1.191 -1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.857 1.711 0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.144 2.069 0.450 1.00 0.00 H new ATOM 18 N ILE A 3 7.949 0.126 -1.515 1.00 0.00 N ATOM 19 CA ILE A 3 9.145 -0.658 -1.798 1.00 0.00 C ATOM 20 C ILE A 3 9.961 -0.892 -0.531 1.00 0.00 C ATOM 21 O ILE A 3 10.433 0.053 0.100 1.00 0.00 O ATOM 22 CB ILE A 3 10.036 0.034 -2.847 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.222 0.363 -4.100 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.224 -0.849 -3.197 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.274 1.825 -4.487 1.00 0.00 C ATOM 0 H ILE A 3 8.078 1.135 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 3 8.808 -1.616 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 3 10.413 0.966 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.591 -0.238 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.184 0.076 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.844 -0.347 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.813 -1.039 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.867 -1.795 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.675 1.986 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.878 2.431 -3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.307 2.113 -4.684 1.00 0.00 H new ATOM 37 N ALA A 4 10.124 -2.160 -0.165 1.00 0.00 N ATOM 38 CA ALA A 4 10.886 -2.519 1.024 1.00 0.00 C ATOM 39 C ALA A 4 12.386 -2.455 0.756 1.00 0.00 C ATOM 40 O ALA A 4 12.817 -2.333 -0.391 1.00 0.00 O ATOM 41 CB ALA A 4 10.493 -3.909 1.503 1.00 0.00 C ATOM 0 H ALA A 4 9.738 -2.955 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 4 10.652 -1.797 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.070 -4.164 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.430 -3.924 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.697 -4.636 0.717 1.00 0.00 H new ATOM 47 N LYS A 5 13.177 -2.537 1.821 1.00 0.00 N ATOM 48 CA LYS A 5 14.629 -2.488 1.701 1.00 0.00 C ATOM 49 C LYS A 5 15.173 -3.800 1.145 1.00 0.00 C ATOM 50 O LYS A 5 15.825 -4.564 1.856 1.00 0.00 O ATOM 51 CB LYS A 5 15.264 -2.197 3.062 1.00 0.00 C ATOM 52 CG LYS A 5 14.815 -3.147 4.159 1.00 0.00 C ATOM 53 CD LYS A 5 14.452 -2.399 5.431 1.00 0.00 C ATOM 54 CE LYS A 5 13.787 -3.315 6.446 1.00 0.00 C ATOM 55 NZ LYS A 5 13.857 -2.759 7.825 1.00 0.00 N ATOM 0 H LYS A 5 12.836 -2.638 2.777 1.00 0.00 H new ATOM 0 HA LYS A 5 14.885 -1.686 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.348 -2.252 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.021 -1.176 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.954 -3.721 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.610 -3.862 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.351 -1.963 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.782 -1.574 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.744 -3.468 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.269 -4.292 6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.393 -3.413 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.853 -2.637 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.375 -1.838 7.853 1.00 0.00 H new ATOM 69 N ASN A 6 14.902 -4.054 -0.132 1.00 0.00 N ATOM 70 CA ASN A 6 15.366 -5.274 -0.783 1.00 0.00 C ATOM 71 C ASN A 6 14.868 -5.344 -2.223 1.00 0.00 C ATOM 72 O ASN A 6 15.514 -5.938 -3.088 1.00 0.00 O ATOM 73 CB ASN A 6 14.891 -6.504 -0.006 1.00 0.00 C ATOM 74 CG ASN A 6 14.997 -7.778 -0.821 1.00 0.00 C ATOM 75 OD1 ASN A 6 16.056 -8.096 -1.363 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.896 -8.516 -0.912 1.00 0.00 N ATOM 0 H ASN A 6 14.364 -3.432 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 6 16.456 -5.259 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.483 -6.607 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.856 -6.358 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.907 -9.384 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.040 -8.214 -0.447 1.00 0.00 H new ATOM 83 N LYS A 7 13.714 -4.735 -2.475 1.00 0.00 N ATOM 84 CA LYS A 7 13.128 -4.726 -3.810 1.00 0.00 C ATOM 85 C LYS A 7 13.674 -3.565 -4.636 1.00 0.00 C ATOM 86 O LYS A 7 13.951 -2.490 -4.104 1.00 0.00 O ATOM 87 CB LYS A 7 11.604 -4.629 -3.720 1.00 0.00 C ATOM 88 CG LYS A 7 10.986 -5.635 -2.764 1.00 0.00 C ATOM 89 CD LYS A 7 10.030 -6.573 -3.483 1.00 0.00 C ATOM 90 CE LYS A 7 9.863 -7.883 -2.729 1.00 0.00 C ATOM 91 NZ LYS A 7 9.269 -8.945 -3.588 1.00 0.00 N ATOM 0 H LYS A 7 13.166 -4.241 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 7 13.398 -5.659 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.330 -3.623 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.180 -4.776 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.775 -6.215 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.453 -5.107 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.059 -6.090 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.403 -6.775 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.833 -8.215 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.227 -7.722 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.171 -9.822 -3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.332 -8.639 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.888 -9.117 -4.406 1.00 0.00 H new ATOM 105 N GLU A 8 13.824 -3.790 -5.937 1.00 0.00 N ATOM 106 CA GLU A 8 14.336 -2.761 -6.835 1.00 0.00 C ATOM 107 C GLU A 8 13.364 -1.589 -6.931 1.00 0.00 C ATOM 108 O GLU A 8 12.152 -1.760 -6.797 1.00 0.00 O ATOM 109 CB GLU A 8 14.585 -3.346 -8.227 1.00 0.00 C ATOM 110 CG GLU A 8 13.337 -3.412 -9.092 1.00 0.00 C ATOM 111 CD GLU A 8 13.588 -4.081 -10.429 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.609 -5.329 -10.474 1.00 0.00 O ATOM 113 OE2 GLU A 8 13.765 -3.356 -11.430 1.00 0.00 O ATOM 0 H GLU A 8 13.599 -4.674 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 8 15.279 -2.396 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.338 -2.744 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.997 -4.349 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.558 -3.956 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.962 -2.402 -9.260 1.00 0.00 H new ATOM 120 N CYS A 9 13.905 -0.397 -7.162 1.00 0.00 N ATOM 121 CA CYS A 9 13.087 0.805 -7.274 1.00 0.00 C ATOM 122 C CYS A 9 13.747 1.827 -8.195 1.00 0.00 C ATOM 123 O CYS A 9 14.967 1.986 -8.190 1.00 0.00 O ATOM 124 CB CYS A 9 12.857 1.421 -5.893 1.00 0.00 C ATOM 125 SG CYS A 9 14.387 1.762 -4.966 1.00 0.00 S ATOM 0 H CYS A 9 14.906 -0.238 -7.275 1.00 0.00 H new ATOM 0 HA CYS A 9 12.126 0.522 -7.703 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.301 2.351 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.232 0.748 -5.306 1.00 0.00 H new ATOM 130 N ALA A 10 12.931 2.517 -8.985 1.00 0.00 N ATOM 131 CA ALA A 10 13.434 3.525 -9.909 1.00 0.00 C ATOM 132 C ALA A 10 13.285 4.927 -9.328 1.00 0.00 C ATOM 133 O ALA A 10 12.347 5.202 -8.580 1.00 0.00 O ATOM 134 CB ALA A 10 12.710 3.426 -11.244 1.00 0.00 C ATOM 0 H ALA A 10 11.918 2.396 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 10 14.496 3.337 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.096 4.185 -11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.872 2.437 -11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.642 3.585 -11.092 1.00 0.00 H new ATOM 140 N TRP A 11 14.216 5.808 -9.675 1.00 0.00 N ATOM 141 CA TRP A 11 14.188 7.182 -9.186 1.00 0.00 C ATOM 142 C TRP A 11 12.928 7.901 -9.655 1.00 0.00 C ATOM 143 O TRP A 11 12.566 8.951 -9.123 1.00 0.00 O ATOM 144 CB TRP A 11 15.429 7.940 -9.660 1.00 0.00 C ATOM 145 CG TRP A 11 16.617 7.754 -8.766 1.00 0.00 C ATOM 146 CD1 TRP A 11 16.763 6.817 -7.782 1.00 0.00 C ATOM 147 CD2 TRP A 11 17.823 8.524 -8.771 1.00 0.00 C ATOM 148 NE1 TRP A 11 17.988 6.960 -7.176 1.00 0.00 N ATOM 149 CE2 TRP A 11 18.658 7.999 -7.765 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.281 9.605 -9.530 1.00 0.00 C ATOM 151 CZ2 TRP A 11 19.921 8.520 -7.500 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.535 10.121 -9.265 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.344 9.579 -8.257 1.00 0.00 C ATOM 0 H TRP A 11 14.999 5.596 -10.293 1.00 0.00 H new ATOM 0 HA TRP A 11 14.183 7.153 -8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.685 7.609 -10.666 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.194 9.003 -9.724 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.025 6.074 -7.519 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.341 6.385 -6.411 1.00 0.00 H new ATOM 0 HE3 TRP A 11 17.666 10.029 -10.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.546 8.103 -6.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 19.898 10.957 -9.845 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.319 10.005 -8.074 1.00 0.00 H new ATOM 164 N PHE A 12 12.263 7.330 -10.654 1.00 0.00 N ATOM 165 CA PHE A 12 11.043 7.918 -11.195 1.00 0.00 C ATOM 166 C PHE A 12 9.953 6.861 -11.351 1.00 0.00 C ATOM 167 O PHE A 12 9.069 6.987 -12.199 1.00 0.00 O ATOM 168 CB PHE A 12 11.325 8.579 -12.545 1.00 0.00 C ATOM 169 CG PHE A 12 10.473 9.787 -12.812 1.00 0.00 C ATOM 170 CD1 PHE A 12 10.762 11.001 -12.212 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.381 9.706 -13.662 1.00 0.00 C ATOM 172 CE1 PHE A 12 9.979 12.115 -12.455 1.00 0.00 C ATOM 173 CE2 PHE A 12 8.596 10.816 -13.909 1.00 0.00 C ATOM 174 CZ PHE A 12 8.894 12.021 -13.304 1.00 0.00 C ATOM 0 H PHE A 12 12.548 6.461 -11.105 1.00 0.00 H new ATOM 0 HA PHE A 12 10.693 8.676 -10.494 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.375 8.869 -12.586 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.165 7.849 -13.338 1.00 0.00 H new ATOM 0 HD1 PHE A 12 11.609 11.079 -11.546 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.141 8.766 -14.136 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.216 13.056 -11.982 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.749 10.741 -14.575 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.280 12.888 -13.495 1.00 0.00 H new ATOM 184 N SER A 13 10.024 5.820 -10.528 1.00 0.00 N ATOM 185 CA SER A 13 9.046 4.739 -10.577 1.00 0.00 C ATOM 186 C SER A 13 7.666 5.235 -10.158 1.00 0.00 C ATOM 187 O SER A 13 6.662 4.551 -10.353 1.00 0.00 O ATOM 188 CB SER A 13 9.483 3.587 -9.670 1.00 0.00 C ATOM 189 OG SER A 13 9.603 4.014 -8.324 1.00 0.00 O ATOM 0 H SER A 13 10.748 5.702 -9.819 1.00 0.00 H new ATOM 0 HA SER A 13 8.987 4.381 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.759 2.775 -9.734 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.438 3.190 -10.015 1.00 0.00 H new ATOM 0 HG SER A 13 10.466 4.461 -8.198 1.00 0.00 H new ATOM 195 N GLY A 14 7.624 6.433 -9.581 1.00 0.00 N ATOM 196 CA GLY A 14 6.362 7.001 -9.144 1.00 0.00 C ATOM 197 C GLY A 14 6.049 6.672 -7.698 1.00 0.00 C ATOM 198 O GLY A 14 5.339 7.419 -7.025 1.00 0.00 O ATOM 0 H GLY A 14 8.441 7.019 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.391 8.083 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.559 6.628 -9.780 1.00 0.00 H new ATOM 202 N GLU A 15 6.578 5.551 -7.219 1.00 0.00 N ATOM 203 CA GLU A 15 6.348 5.124 -5.844 1.00 0.00 C ATOM 204 C GLU A 15 7.581 5.380 -4.981 1.00 0.00 C ATOM 205 O GLU A 15 8.629 5.785 -5.483 1.00 0.00 O ATOM 206 CB GLU A 15 5.982 3.639 -5.802 1.00 0.00 C ATOM 207 CG GLU A 15 6.885 2.765 -6.654 1.00 0.00 C ATOM 208 CD GLU A 15 6.666 1.285 -6.408 1.00 0.00 C ATOM 209 OE1 GLU A 15 5.836 0.943 -5.540 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.325 0.468 -7.085 1.00 0.00 O ATOM 0 H GLU A 15 7.169 4.922 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 15 5.518 5.707 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.024 3.292 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.952 3.518 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.708 2.984 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.926 3.014 -6.447 1.00 0.00 H new ATOM 217 N TRP A 16 7.446 5.141 -3.682 1.00 0.00 N ATOM 218 CA TRP A 16 8.548 5.346 -2.749 1.00 0.00 C ATOM 219 C TRP A 16 8.776 4.104 -1.894 1.00 0.00 C ATOM 220 O TRP A 16 7.981 3.164 -1.924 1.00 0.00 O ATOM 221 CB TRP A 16 8.266 6.553 -1.852 1.00 0.00 C ATOM 222 CG TRP A 16 8.205 7.849 -2.602 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.375 8.156 -3.642 1.00 0.00 C ATOM 224 CD2 TRP A 16 9.009 9.011 -2.371 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.614 9.439 -4.071 1.00 0.00 N ATOM 226 CE2 TRP A 16 8.611 9.986 -3.307 1.00 0.00 C ATOM 227 CE3 TRP A 16 10.024 9.325 -1.463 1.00 0.00 C ATOM 228 CZ2 TRP A 16 9.195 11.249 -3.360 1.00 0.00 C ATOM 229 CZ3 TRP A 16 10.602 10.579 -1.517 1.00 0.00 C ATOM 230 CH2 TRP A 16 10.186 11.528 -2.459 1.00 0.00 C ATOM 0 H TRP A 16 6.585 4.805 -3.251 1.00 0.00 H new ATOM 0 HA TRP A 16 9.451 5.536 -3.329 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.321 6.397 -1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.042 6.619 -1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.639 7.488 -4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.128 9.908 -4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 16 10.351 8.600 -0.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.877 11.982 -4.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.388 10.832 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 16 10.657 12.500 -2.475 1.00 0.00 H new ATOM 241 N CYS A 17 9.864 4.107 -1.133 1.00 0.00 N ATOM 242 CA CYS A 17 10.197 2.980 -0.269 1.00 0.00 C ATOM 243 C CYS A 17 9.402 3.038 1.032 1.00 0.00 C ATOM 244 O CYS A 17 8.853 4.081 1.391 1.00 0.00 O ATOM 245 CB CYS A 17 11.696 2.970 0.036 1.00 0.00 C ATOM 246 SG CYS A 17 12.752 3.312 -1.409 1.00 0.00 S ATOM 0 H CYS A 17 10.531 4.878 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 17 9.934 2.062 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.904 3.711 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.966 1.997 0.447 1.00 0.00 H new ATOM 251 N CYS A 18 9.344 1.912 1.734 1.00 0.00 N ATOM 252 CA CYS A 18 8.617 1.833 2.995 1.00 0.00 C ATOM 253 C CYS A 18 9.341 2.610 4.091 1.00 0.00 C ATOM 254 O CYS A 18 10.496 3.002 3.929 1.00 0.00 O ATOM 255 CB CYS A 18 8.446 0.373 3.419 1.00 0.00 C ATOM 256 SG CYS A 18 7.506 -0.640 2.232 1.00 0.00 S ATOM 0 H CYS A 18 9.792 1.041 1.451 1.00 0.00 H new ATOM 0 HA CYS A 18 7.634 2.279 2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.431 -0.071 3.559 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.942 0.343 4.385 1.00 0.00 H new ATOM 261 N GLY A 19 8.653 2.830 5.207 1.00 0.00 N ATOM 262 CA GLY A 19 9.246 3.559 6.313 1.00 0.00 C ATOM 263 C GLY A 19 9.806 4.902 5.888 1.00 0.00 C ATOM 264 O GLY A 19 9.057 5.806 5.521 1.00 0.00 O ATOM 0 H GLY A 19 7.695 2.516 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.495 3.711 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.043 2.960 6.754 1.00 0.00 H new ATOM 268 N ALA A 20 11.128 5.033 5.939 1.00 0.00 N ATOM 269 CA ALA A 20 11.787 6.275 5.556 1.00 0.00 C ATOM 270 C ALA A 20 13.119 5.999 4.866 1.00 0.00 C ATOM 271 O ALA A 20 14.100 6.712 5.080 1.00 0.00 O ATOM 272 CB ALA A 20 11.997 7.159 6.777 1.00 0.00 C ATOM 0 H ALA A 20 11.763 4.294 6.242 1.00 0.00 H new ATOM 0 HA ALA A 20 11.142 6.797 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.490 8.083 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.032 7.392 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.619 6.635 7.503 1.00 0.00 H new ATOM 278 N LEU A 21 13.146 4.961 4.037 1.00 0.00 N ATOM 279 CA LEU A 21 14.358 4.591 3.315 1.00 0.00 C ATOM 280 C LEU A 21 14.333 5.138 1.891 1.00 0.00 C ATOM 281 O LEU A 21 13.269 5.439 1.350 1.00 0.00 O ATOM 282 CB LEU A 21 14.513 3.069 3.286 1.00 0.00 C ATOM 283 CG LEU A 21 14.186 2.336 4.587 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.770 0.901 4.302 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.378 2.370 5.533 1.00 0.00 C ATOM 0 H LEU A 21 12.343 4.361 3.848 1.00 0.00 H new ATOM 0 HA LEU A 21 15.210 5.028 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.871 2.674 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.540 2.834 3.008 1.00 0.00 H new ATOM 0 HG LEU A 21 13.351 2.846 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.541 0.395 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.887 0.898 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.584 0.380 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.127 1.843 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.232 1.886 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.630 3.405 5.764 1.00 0.00 H new ATOM 297 N SER A 22 15.512 5.262 1.290 1.00 0.00 N ATOM 298 CA SER A 22 15.625 5.775 -0.071 1.00 0.00 C ATOM 299 C SER A 22 16.079 4.677 -1.029 1.00 0.00 C ATOM 300 O SER A 22 16.247 3.523 -0.634 1.00 0.00 O ATOM 301 CB SER A 22 16.608 6.946 -0.117 1.00 0.00 C ATOM 302 OG SER A 22 15.949 8.175 0.136 1.00 0.00 O ATOM 0 H SER A 22 16.402 5.015 1.723 1.00 0.00 H new ATOM 0 HA SER A 22 14.641 6.123 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.395 6.793 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.090 6.982 -1.094 1.00 0.00 H new ATOM 0 HG SER A 22 16.599 8.908 0.103 1.00 0.00 H new ATOM 308 N CYS A 23 16.276 5.046 -2.290 1.00 0.00 N ATOM 309 CA CYS A 23 16.710 4.095 -3.306 1.00 0.00 C ATOM 310 C CYS A 23 18.207 4.227 -3.571 1.00 0.00 C ATOM 311 O CYS A 23 18.651 5.162 -4.237 1.00 0.00 O ATOM 312 CB CYS A 23 15.930 4.313 -4.605 1.00 0.00 C ATOM 313 SG CYS A 23 14.179 3.819 -4.513 1.00 0.00 S ATOM 0 H CYS A 23 16.142 5.997 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 23 16.512 3.089 -2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.985 5.367 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.413 3.752 -5.405 1.00 0.00 H new ATOM 318 N LYS A 24 18.980 3.283 -3.044 1.00 0.00 N ATOM 319 CA LYS A 24 20.427 3.291 -3.223 1.00 0.00 C ATOM 320 C LYS A 24 20.880 2.088 -4.045 1.00 0.00 C ATOM 321 O LYS A 24 20.137 1.119 -4.206 1.00 0.00 O ATOM 322 CB LYS A 24 21.130 3.287 -1.864 1.00 0.00 C ATOM 323 CG LYS A 24 20.419 4.118 -0.809 1.00 0.00 C ATOM 324 CD LYS A 24 19.533 3.257 0.075 1.00 0.00 C ATOM 325 CE LYS A 24 18.611 4.107 0.937 1.00 0.00 C ATOM 326 NZ LYS A 24 19.344 4.755 2.059 1.00 0.00 N ATOM 0 H LYS A 24 18.628 2.503 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 24 20.696 4.200 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.213 2.259 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.145 3.664 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.156 4.635 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.815 4.885 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.938 2.588 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.154 2.630 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.140 4.873 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.811 3.484 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.682 5.325 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.772 4.024 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.091 5.369 1.677 1.00 0.00 H new ATOM 340 N TYR A 25 22.102 2.157 -4.561 1.00 0.00 N ATOM 341 CA TYR A 25 22.653 1.074 -5.367 1.00 0.00 C ATOM 342 C TYR A 25 23.181 -0.051 -4.481 1.00 0.00 C ATOM 343 O TYR A 25 23.913 0.192 -3.521 1.00 0.00 O ATOM 344 CB TYR A 25 23.774 1.598 -6.266 1.00 0.00 C ATOM 345 CG TYR A 25 24.450 0.520 -7.082 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.546 -0.172 -6.583 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.992 0.193 -8.353 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.167 -1.158 -7.326 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.606 -0.792 -9.102 1.00 0.00 C ATOM 350 CZ TYR A 25 25.693 -1.464 -8.584 1.00 0.00 C ATOM 351 OH TYR A 25 26.309 -2.446 -9.327 1.00 0.00 O ATOM 0 H TYR A 25 22.730 2.951 -4.436 1.00 0.00 H new ATOM 0 HA TYR A 25 21.852 0.676 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.365 2.350 -6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.521 2.096 -5.648 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.919 0.064 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.141 0.718 -8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 25 27.019 -1.686 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.237 -1.034 -10.088 1.00 0.00 H new ATOM 0 HH TYR A 25 25.852 -2.539 -10.189 1.00 0.00 H new ATOM 361 N SER A 26 22.803 -1.282 -4.810 1.00 0.00 N ATOM 362 CA SER A 26 23.235 -2.445 -4.043 1.00 0.00 C ATOM 363 C SER A 26 24.239 -3.275 -4.836 1.00 0.00 C ATOM 364 O SER A 26 23.860 -4.095 -5.673 1.00 0.00 O ATOM 365 CB SER A 26 22.030 -3.307 -3.663 1.00 0.00 C ATOM 366 OG SER A 26 21.492 -2.910 -2.413 1.00 0.00 O ATOM 0 H SER A 26 22.199 -1.500 -5.602 1.00 0.00 H new ATOM 0 HA SER A 26 23.720 -2.091 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.264 -3.227 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.328 -4.354 -3.618 1.00 0.00 H new ATOM 0 HG SER A 26 21.233 -3.705 -1.901 1.00 0.00 H new ATOM 372 N ILE A 27 25.522 -3.057 -4.566 1.00 0.00 N ATOM 373 CA ILE A 27 26.581 -3.786 -5.253 1.00 0.00 C ATOM 374 C ILE A 27 26.374 -5.292 -5.141 1.00 0.00 C ATOM 375 O ILE A 27 26.479 -6.020 -6.129 1.00 0.00 O ATOM 376 CB ILE A 27 27.969 -3.427 -4.688 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.083 -1.915 -4.479 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.064 -3.922 -5.620 1.00 0.00 C ATOM 379 CD1 ILE A 27 27.979 -1.496 -3.030 1.00 0.00 C ATOM 0 H ILE A 27 25.853 -2.382 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 27 26.537 -3.493 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 27 28.091 -3.919 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.036 -1.572 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.299 -1.417 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.039 -3.661 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.992 -5.005 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.947 -3.456 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.068 -0.412 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.015 -1.808 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.779 -1.965 -2.457 1.00 0.00 H new ATOM 391 N LYS A 28 26.076 -5.755 -3.932 1.00 0.00 N ATOM 392 CA LYS A 28 25.850 -7.175 -3.690 1.00 0.00 C ATOM 393 C LYS A 28 24.745 -7.712 -4.593 1.00 0.00 C ATOM 394 O LYS A 28 24.815 -8.844 -5.070 1.00 0.00 O ATOM 395 CB LYS A 28 25.484 -7.411 -2.223 1.00 0.00 C ATOM 396 CG LYS A 28 24.375 -6.503 -1.719 1.00 0.00 C ATOM 397 CD LYS A 28 23.156 -7.300 -1.286 1.00 0.00 C ATOM 398 CE LYS A 28 23.234 -7.685 0.183 1.00 0.00 C ATOM 399 NZ LYS A 28 21.927 -7.508 0.873 1.00 0.00 N ATOM 0 H LYS A 28 25.985 -5.167 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 28 26.773 -7.708 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.178 -8.449 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.371 -7.263 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.741 -5.911 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.092 -5.802 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.255 -6.713 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.074 -8.200 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.553 -8.724 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.991 -7.077 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.022 -7.781 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.635 -6.512 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.210 -8.107 0.417 1.00 0.00 H new ATOM 413 N ARG A 29 23.726 -6.891 -4.825 1.00 0.00 N ATOM 414 CA ARG A 29 22.606 -7.283 -5.672 1.00 0.00 C ATOM 415 C ARG A 29 22.823 -6.821 -7.110 1.00 0.00 C ATOM 416 O ARG A 29 21.951 -6.982 -7.963 1.00 0.00 O ATOM 417 CB ARG A 29 21.300 -6.701 -5.130 1.00 0.00 C ATOM 418 CG ARG A 29 20.960 -7.171 -3.725 1.00 0.00 C ATOM 419 CD ARG A 29 19.611 -7.871 -3.682 1.00 0.00 C ATOM 420 NE ARG A 29 19.539 -8.979 -4.630 1.00 0.00 N ATOM 421 CZ ARG A 29 20.157 -10.141 -4.451 1.00 0.00 C ATOM 422 NH1 ARG A 29 20.889 -10.346 -3.364 1.00 0.00 N ATOM 423 NH2 ARG A 29 20.044 -11.102 -5.359 1.00 0.00 N ATOM 0 H ARG A 29 23.653 -5.950 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 29 22.542 -8.371 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.368 -5.613 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.485 -6.972 -5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.735 -7.850 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.950 -6.317 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.428 -8.244 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.822 -7.152 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 29 18.984 -8.854 -5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.978 -9.610 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.363 -11.239 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.482 -10.949 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.519 -11.994 -5.220 1.00 0.00 H new ATOM 437 N ASN A 30 23.992 -6.245 -7.371 1.00 0.00 N ATOM 438 CA ASN A 30 24.324 -5.758 -8.705 1.00 0.00 C ATOM 439 C ASN A 30 23.136 -5.034 -9.330 1.00 0.00 C ATOM 440 O ASN A 30 22.926 -5.094 -10.543 1.00 0.00 O ATOM 441 CB ASN A 30 24.757 -6.919 -9.601 1.00 0.00 C ATOM 442 CG ASN A 30 23.649 -7.933 -9.810 1.00 0.00 C ATOM 443 OD1 ASN A 30 23.447 -8.827 -8.987 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.925 -7.799 -10.915 1.00 0.00 N ATOM 0 H ASN A 30 24.725 -6.104 -6.676 1.00 0.00 H new ATOM 0 HA ASN A 30 25.149 -5.052 -8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.076 -6.529 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.620 -7.415 -9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.166 -8.452 -11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.128 -7.043 -11.569 1.00 0.00 H new ATOM 451 N LEU A 31 22.361 -4.349 -8.496 1.00 0.00 N ATOM 452 CA LEU A 31 21.193 -3.612 -8.967 1.00 0.00 C ATOM 453 C LEU A 31 20.892 -2.428 -8.053 1.00 0.00 C ATOM 454 O LEU A 31 21.690 -2.085 -7.180 1.00 0.00 O ATOM 455 CB LEU A 31 19.977 -4.537 -9.040 1.00 0.00 C ATOM 456 CG LEU A 31 20.077 -5.699 -10.028 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.967 -6.709 -9.778 1.00 0.00 C ATOM 458 CD2 LEU A 31 20.021 -5.187 -11.460 1.00 0.00 C ATOM 0 H LEU A 31 22.520 -4.289 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 31 21.412 -3.231 -9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.796 -4.946 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.105 -3.938 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 31 21.035 -6.197 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 19.054 -7.529 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 31 19.052 -7.099 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.999 -6.223 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 31 20.094 -6.028 -12.150 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.079 -4.664 -11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.851 -4.502 -11.634 1.00 0.00 H new ATOM 470 N LYS A 32 19.735 -1.809 -8.258 1.00 0.00 N ATOM 471 CA LYS A 32 19.325 -0.666 -7.452 1.00 0.00 C ATOM 472 C LYS A 32 18.061 -0.984 -6.658 1.00 0.00 C ATOM 473 O LYS A 32 16.993 -1.194 -7.233 1.00 0.00 O ATOM 474 CB LYS A 32 19.085 0.555 -8.344 1.00 0.00 C ATOM 475 CG LYS A 32 20.230 0.843 -9.300 1.00 0.00 C ATOM 476 CD LYS A 32 20.064 0.092 -10.610 1.00 0.00 C ATOM 477 CE LYS A 32 19.912 1.047 -11.784 1.00 0.00 C ATOM 478 NZ LYS A 32 19.823 0.322 -13.082 1.00 0.00 N ATOM 0 H LYS A 32 19.064 -2.080 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 32 20.128 -0.443 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.172 0.401 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.920 1.429 -7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.280 1.914 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.174 0.560 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.928 -0.552 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.189 -0.556 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.017 1.654 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.760 1.731 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.720 1.008 -13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.688 -0.237 -13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.999 -0.312 -13.070 1.00 0.00 H new ATOM 492 N ILE A 33 18.191 -1.019 -5.336 1.00 0.00 N ATOM 493 CA ILE A 33 17.059 -1.309 -4.466 1.00 0.00 C ATOM 494 C ILE A 33 17.026 -0.361 -3.272 1.00 0.00 C ATOM 495 O ILE A 33 17.950 0.427 -3.065 1.00 0.00 O ATOM 496 CB ILE A 33 17.101 -2.761 -3.953 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.116 -2.894 -2.816 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.442 -3.714 -5.089 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.424 -4.328 -2.446 1.00 0.00 C ATOM 0 H ILE A 33 19.069 -0.850 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 33 16.158 -1.169 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 33 16.116 -3.024 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.041 -2.395 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.735 -2.374 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.468 -4.736 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.685 -3.635 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.417 -3.455 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.150 -4.346 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.509 -4.826 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.835 -4.847 -3.312 1.00 0.00 H new ATOM 511 N CYS A 34 15.958 -0.444 -2.487 1.00 0.00 N ATOM 512 CA CYS A 34 15.804 0.405 -1.311 1.00 0.00 C ATOM 513 C CYS A 34 16.528 -0.194 -0.109 1.00 0.00 C ATOM 514 O CYS A 34 16.824 -1.388 -0.081 1.00 0.00 O ATOM 515 CB CYS A 34 14.321 0.596 -0.984 1.00 0.00 C ATOM 516 SG CYS A 34 13.430 1.657 -2.166 1.00 0.00 S ATOM 0 H CYS A 34 15.185 -1.091 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 34 16.248 1.375 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.838 -0.381 -0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.232 1.027 0.013 1.00 0.00 H new ATOM 521 N VAL A 35 16.811 0.645 0.882 1.00 0.00 N ATOM 522 CA VAL A 35 17.500 0.200 2.088 1.00 0.00 C ATOM 523 C VAL A 35 16.821 0.742 3.341 1.00 0.00 C ATOM 524 O VAL A 35 16.944 0.169 4.423 1.00 0.00 O ATOM 525 CB VAL A 35 18.976 0.639 2.086 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.675 0.167 3.352 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.686 0.115 0.847 1.00 0.00 C ATOM 0 H VAL A 35 16.574 1.637 0.874 1.00 0.00 H new ATOM 0 HA VAL A 35 17.453 -0.889 2.095 1.00 0.00 H new ATOM 0 HB VAL A 35 19.013 1.728 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.717 0.486 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.180 0.597 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.630 -0.921 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.728 0.435 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.641 -0.974 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.199 0.508 -0.045 1.00 0.00 H new