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 Set 1.1: A 6 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -81:sc= 0.267 USER MOD Single : A 22 SER OG : rot 180:sc= 0.163 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.437) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -100:sc= -0.878 USER MOD Single : A 30 ASN : amide:sc= -3.42! C(o=-3.4!,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0.402 (180deg=0.158) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.512 -1.653 -2.009 1.00 0.00 N ATOM 2 CA GLY A 1 2.297 -0.436 -1.250 1.00 0.00 C ATOM 3 C GLY A 1 3.538 0.431 -1.179 1.00 0.00 C ATOM 4 O GLY A 1 3.482 1.633 -1.441 1.00 0.00 O ATOM 0 H1 GLY A 1 1.634 -2.210 -2.028 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.789 -1.411 -2.982 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.267 -2.212 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.486 0.133 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.979 -0.693 -0.240 1.00 0.00 H new ATOM 8 N CYS A 2 4.664 -0.179 -0.822 1.00 0.00 N ATOM 9 CA CYS A 2 5.925 0.544 -0.715 1.00 0.00 C ATOM 10 C CYS A 2 7.105 -0.369 -1.036 1.00 0.00 C ATOM 11 O CYS A 2 6.983 -1.594 -1.000 1.00 0.00 O ATOM 12 CB CYS A 2 6.085 1.127 0.691 1.00 0.00 C ATOM 13 SG CYS A 2 6.068 -0.120 2.019 1.00 0.00 S ATOM 0 H CYS A 2 4.728 -1.173 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 2 5.911 1.358 -1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.023 1.680 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.283 1.843 0.869 1.00 0.00 H new ATOM 18 N ILE A 3 8.245 0.236 -1.351 1.00 0.00 N ATOM 19 CA ILE A 3 9.446 -0.522 -1.678 1.00 0.00 C ATOM 20 C ILE A 3 10.282 -0.792 -0.431 1.00 0.00 C ATOM 21 O ILE A 3 10.731 0.136 0.241 1.00 0.00 O ATOM 22 CB ILE A 3 10.314 0.217 -2.714 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.506 0.495 -3.983 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.558 -0.596 -3.039 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.639 1.915 -4.485 1.00 0.00 C ATOM 0 H ILE A 3 8.362 1.249 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 3 9.115 -1.469 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 3 10.628 1.171 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.828 -0.190 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.455 0.284 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.161 -0.061 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.141 -0.748 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 3 11.264 -1.563 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.040 2.040 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.289 2.606 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.684 2.124 -4.712 1.00 0.00 H new ATOM 37 N ALA A 4 10.488 -2.070 -0.129 1.00 0.00 N ATOM 38 CA ALA A 4 11.274 -2.462 1.035 1.00 0.00 C ATOM 39 C ALA A 4 12.768 -2.358 0.749 1.00 0.00 C ATOM 40 O ALA A 4 13.180 -2.167 -0.395 1.00 0.00 O ATOM 41 CB ALA A 4 10.914 -3.877 1.461 1.00 0.00 C ATOM 0 H ALA A 4 10.122 -2.851 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 4 11.038 -1.777 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.508 -4.157 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.855 -3.922 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.121 -4.567 0.643 1.00 0.00 H new ATOM 47 N LYS A 5 13.576 -2.484 1.797 1.00 0.00 N ATOM 48 CA LYS A 5 15.025 -2.404 1.659 1.00 0.00 C ATOM 49 C LYS A 5 15.584 -3.679 1.036 1.00 0.00 C ATOM 50 O LYS A 5 16.341 -4.412 1.671 1.00 0.00 O ATOM 51 CB LYS A 5 15.675 -2.164 3.024 1.00 0.00 C ATOM 52 CG LYS A 5 15.301 -3.203 4.067 1.00 0.00 C ATOM 53 CD LYS A 5 15.728 -2.773 5.460 1.00 0.00 C ATOM 54 CE LYS A 5 16.848 -3.652 5.995 1.00 0.00 C ATOM 55 NZ LYS A 5 16.333 -4.941 6.535 1.00 0.00 N ATOM 0 H LYS A 5 13.251 -2.642 2.751 1.00 0.00 H new ATOM 0 HA LYS A 5 15.256 -1.567 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.758 -2.155 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.386 -1.177 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.223 -3.366 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.771 -4.155 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.059 -1.735 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.873 -2.820 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.564 -3.853 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.385 -3.119 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.127 -5.511 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.669 -4.751 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.843 -5.462 5.780 1.00 0.00 H new ATOM 69 N ASN A 6 15.206 -3.937 -0.212 1.00 0.00 N ATOM 70 CA ASN A 6 15.670 -5.124 -0.921 1.00 0.00 C ATOM 71 C ASN A 6 15.081 -5.182 -2.328 1.00 0.00 C ATOM 72 O ASN A 6 15.673 -5.764 -3.237 1.00 0.00 O ATOM 73 CB ASN A 6 15.292 -6.388 -0.146 1.00 0.00 C ATOM 74 CG ASN A 6 16.292 -7.510 -0.347 1.00 0.00 C ATOM 75 OD1 ASN A 6 17.484 -7.349 -0.085 1.00 0.00 O ATOM 76 ND2 ASN A 6 15.809 -8.655 -0.816 1.00 0.00 N ATOM 0 H ASN A 6 14.580 -3.340 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 6 16.755 -5.067 -1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.223 -6.153 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.305 -6.724 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.434 -9.446 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 6 14.813 -8.743 -1.019 1.00 0.00 H new ATOM 83 N LYS A 7 13.912 -4.574 -2.499 1.00 0.00 N ATOM 84 CA LYS A 7 13.242 -4.554 -3.794 1.00 0.00 C ATOM 85 C LYS A 7 13.747 -3.396 -4.650 1.00 0.00 C ATOM 86 O LYS A 7 14.101 -2.339 -4.130 1.00 0.00 O ATOM 87 CB LYS A 7 11.728 -4.442 -3.607 1.00 0.00 C ATOM 88 CG LYS A 7 11.136 -5.553 -2.758 1.00 0.00 C ATOM 89 CD LYS A 7 10.114 -6.365 -3.536 1.00 0.00 C ATOM 90 CE LYS A 7 9.668 -7.594 -2.757 1.00 0.00 C ATOM 91 NZ LYS A 7 10.466 -8.798 -3.118 1.00 0.00 N ATOM 0 H LYS A 7 13.409 -4.088 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 7 13.470 -5.488 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.497 -3.482 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.248 -4.449 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.933 -6.209 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.665 -5.124 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.248 -5.742 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.542 -6.673 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.764 -7.401 -1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.613 -7.785 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.132 -9.614 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.354 -8.997 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.470 -8.625 -2.907 1.00 0.00 H new ATOM 105 N GLU A 8 13.774 -3.604 -5.962 1.00 0.00 N ATOM 106 CA GLU A 8 14.235 -2.576 -6.888 1.00 0.00 C ATOM 107 C GLU A 8 13.527 -1.250 -6.625 1.00 0.00 C ATOM 108 O GLU A 8 12.399 -1.222 -6.132 1.00 0.00 O ATOM 109 CB GLU A 8 13.994 -3.016 -8.334 1.00 0.00 C ATOM 110 CG GLU A 8 12.568 -2.794 -8.809 1.00 0.00 C ATOM 111 CD GLU A 8 12.326 -3.337 -10.204 1.00 0.00 C ATOM 112 OE1 GLU A 8 12.886 -2.770 -11.166 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.578 -4.329 -10.334 1.00 0.00 O ATOM 0 H GLU A 8 13.483 -4.474 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 8 15.304 -2.435 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.675 -2.472 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.239 -4.074 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.879 -3.272 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.346 -1.727 -8.795 1.00 0.00 H new ATOM 120 N CYS A 9 14.199 -0.152 -6.955 1.00 0.00 N ATOM 121 CA CYS A 9 13.637 1.178 -6.754 1.00 0.00 C ATOM 122 C CYS A 9 14.180 2.160 -7.788 1.00 0.00 C ATOM 123 O CYS A 9 15.346 2.552 -7.735 1.00 0.00 O ATOM 124 CB CYS A 9 13.952 1.680 -5.344 1.00 0.00 C ATOM 125 SG CYS A 9 13.127 3.244 -4.909 1.00 0.00 S ATOM 0 H CYS A 9 15.134 -0.157 -7.363 1.00 0.00 H new ATOM 0 HA CYS A 9 12.556 1.110 -6.875 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.660 0.915 -4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.030 1.812 -5.249 1.00 0.00 H new ATOM 130 N ALA A 10 13.327 2.554 -8.728 1.00 0.00 N ATOM 131 CA ALA A 10 13.720 3.491 -9.773 1.00 0.00 C ATOM 132 C ALA A 10 13.599 4.933 -9.291 1.00 0.00 C ATOM 133 O ALA A 10 12.715 5.260 -8.499 1.00 0.00 O ATOM 134 CB ALA A 10 12.875 3.276 -11.020 1.00 0.00 C ATOM 0 H ALA A 10 12.359 2.239 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 10 14.765 3.305 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.179 3.983 -11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.016 2.258 -11.384 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.824 3.433 -10.779 1.00 0.00 H new ATOM 140 N TRP A 11 14.492 5.789 -9.772 1.00 0.00 N ATOM 141 CA TRP A 11 14.484 7.197 -9.389 1.00 0.00 C ATOM 142 C TRP A 11 13.199 7.878 -9.845 1.00 0.00 C ATOM 143 O TRP A 11 12.871 8.974 -9.390 1.00 0.00 O ATOM 144 CB TRP A 11 15.696 7.915 -9.985 1.00 0.00 C ATOM 145 CG TRP A 11 16.918 7.837 -9.120 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.111 7.014 -8.048 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.114 8.613 -9.254 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.356 7.231 -7.507 1.00 0.00 N ATOM 149 CE2 TRP A 11 18.990 8.206 -8.229 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.530 9.609 -10.141 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.256 8.764 -8.069 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.786 10.161 -9.980 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.638 9.738 -8.951 1.00 0.00 C ATOM 0 H TRP A 11 15.231 5.534 -10.428 1.00 0.00 H new ATOM 0 HA TRP A 11 14.536 7.253 -8.302 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.922 7.483 -10.960 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.443 8.962 -10.151 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.392 6.298 -7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.744 6.745 -6.699 1.00 0.00 H new ATOM 0 HE3 TRP A 11 17.881 9.941 -10.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.914 8.439 -7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.117 10.932 -10.659 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.614 10.189 -8.852 1.00 0.00 H new ATOM 164 N PHE A 12 12.474 7.223 -10.745 1.00 0.00 N ATOM 165 CA PHE A 12 11.224 7.766 -11.263 1.00 0.00 C ATOM 166 C PHE A 12 10.133 6.699 -11.283 1.00 0.00 C ATOM 167 O PHE A 12 9.168 6.797 -12.041 1.00 0.00 O ATOM 168 CB PHE A 12 11.431 8.326 -12.672 1.00 0.00 C ATOM 169 CG PHE A 12 10.554 9.505 -12.983 1.00 0.00 C ATOM 170 CD1 PHE A 12 10.864 10.764 -12.495 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.420 9.354 -13.765 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.058 11.850 -12.780 1.00 0.00 C ATOM 173 CE2 PHE A 12 8.611 10.437 -14.054 1.00 0.00 C ATOM 174 CZ PHE A 12 8.931 11.687 -13.561 1.00 0.00 C ATOM 0 H PHE A 12 12.731 6.315 -11.131 1.00 0.00 H new ATOM 0 HA PHE A 12 10.907 8.572 -10.602 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.474 8.619 -12.788 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.238 7.538 -13.400 1.00 0.00 H new ATOM 0 HD1 PHE A 12 11.745 10.898 -11.885 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.165 8.379 -14.153 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.310 12.826 -12.392 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.730 10.306 -14.665 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.301 12.535 -13.786 1.00 0.00 H new ATOM 184 N SER A 13 10.295 5.681 -10.444 1.00 0.00 N ATOM 185 CA SER A 13 9.327 4.593 -10.368 1.00 0.00 C ATOM 186 C SER A 13 7.937 5.124 -10.031 1.00 0.00 C ATOM 187 O SER A 13 6.929 4.471 -10.297 1.00 0.00 O ATOM 188 CB SER A 13 9.762 3.568 -9.318 1.00 0.00 C ATOM 189 OG SER A 13 9.943 4.179 -8.053 1.00 0.00 O ATOM 0 H SER A 13 11.087 5.587 -9.808 1.00 0.00 H new ATOM 0 HA SER A 13 9.285 4.109 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.012 2.781 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.691 3.093 -9.632 1.00 0.00 H new ATOM 0 HG SER A 13 10.822 4.611 -8.021 1.00 0.00 H new ATOM 195 N GLY A 14 7.893 6.316 -9.442 1.00 0.00 N ATOM 196 CA GLY A 14 6.623 6.916 -9.077 1.00 0.00 C ATOM 197 C GLY A 14 6.201 6.566 -7.664 1.00 0.00 C ATOM 198 O GLY A 14 5.407 7.280 -7.053 1.00 0.00 O ATOM 0 H GLY A 14 8.714 6.876 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.696 7.999 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.854 6.585 -9.775 1.00 0.00 H new ATOM 202 N GLU A 15 6.733 5.464 -7.144 1.00 0.00 N ATOM 203 CA GLU A 15 6.405 5.021 -5.795 1.00 0.00 C ATOM 204 C GLU A 15 7.509 5.402 -4.813 1.00 0.00 C ATOM 205 O GLU A 15 8.498 6.031 -5.189 1.00 0.00 O ATOM 206 CB GLU A 15 6.186 3.507 -5.770 1.00 0.00 C ATOM 207 CG GLU A 15 7.256 2.725 -6.515 1.00 0.00 C ATOM 208 CD GLU A 15 6.806 2.293 -7.897 1.00 0.00 C ATOM 209 OE1 GLU A 15 5.884 2.930 -8.448 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.377 1.317 -8.428 1.00 0.00 O ATOM 0 H GLU A 15 7.393 4.862 -7.637 1.00 0.00 H new ATOM 0 HA GLU A 15 5.484 5.519 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.156 3.170 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.213 3.282 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.153 3.338 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.528 1.844 -5.934 1.00 0.00 H new ATOM 217 N TRP A 16 7.331 5.018 -3.554 1.00 0.00 N ATOM 218 CA TRP A 16 8.311 5.321 -2.517 1.00 0.00 C ATOM 219 C TRP A 16 8.608 4.086 -1.672 1.00 0.00 C ATOM 220 O TRP A 16 7.810 3.150 -1.623 1.00 0.00 O ATOM 221 CB TRP A 16 7.807 6.456 -1.625 1.00 0.00 C ATOM 222 CG TRP A 16 7.149 7.565 -2.389 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.645 8.210 -3.486 1.00 0.00 C ATOM 224 CD2 TRP A 16 5.877 8.160 -2.112 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.757 9.170 -3.907 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.665 9.160 -3.082 1.00 0.00 C ATOM 227 CE3 TRP A 16 4.896 7.945 -1.140 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.512 9.941 -3.105 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.753 8.722 -1.164 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.568 9.709 -2.141 1.00 0.00 C ATOM 0 H TRP A 16 6.518 4.497 -3.227 1.00 0.00 H new ATOM 0 HA TRP A 16 9.234 5.635 -3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.098 6.053 -0.902 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.645 6.862 -1.058 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.595 7.997 -3.953 1.00 0.00 H new ATOM 0 HE1 TRP A 16 6.890 9.790 -4.706 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.029 7.185 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.368 10.703 -3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.989 8.566 -0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.663 10.298 -2.134 1.00 0.00 H new ATOM 241 N CYS A 17 9.759 4.092 -1.009 1.00 0.00 N ATOM 242 CA CYS A 17 10.161 2.972 -0.166 1.00 0.00 C ATOM 243 C CYS A 17 9.426 3.006 1.171 1.00 0.00 C ATOM 244 O CYS A 17 8.861 4.030 1.556 1.00 0.00 O ATOM 245 CB CYS A 17 11.673 3.002 0.071 1.00 0.00 C ATOM 246 SG CYS A 17 12.651 3.380 -1.419 1.00 0.00 S ATOM 0 H CYS A 17 10.430 4.860 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 17 9.898 2.049 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.895 3.745 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.988 2.035 0.464 1.00 0.00 H new ATOM 251 N CYS A 18 9.437 1.879 1.874 1.00 0.00 N ATOM 252 CA CYS A 18 8.771 1.778 3.167 1.00 0.00 C ATOM 253 C CYS A 18 9.518 2.581 4.228 1.00 0.00 C ATOM 254 O CYS A 18 10.643 3.027 4.006 1.00 0.00 O ATOM 255 CB CYS A 18 8.669 0.313 3.599 1.00 0.00 C ATOM 256 SG CYS A 18 7.919 -0.780 2.349 1.00 0.00 S ATOM 0 H CYS A 18 9.900 1.022 1.570 1.00 0.00 H new ATOM 0 HA CYS A 18 7.767 2.190 3.064 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.667 -0.055 3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.082 0.256 4.516 1.00 0.00 H new ATOM 261 N GLY A 19 8.883 2.762 5.382 1.00 0.00 N ATOM 262 CA GLY A 19 9.502 3.511 6.460 1.00 0.00 C ATOM 263 C GLY A 19 9.982 4.878 6.015 1.00 0.00 C ATOM 264 O GLY A 19 9.177 5.775 5.768 1.00 0.00 O ATOM 0 H GLY A 19 7.951 2.403 5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.787 3.628 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.345 2.944 6.855 1.00 0.00 H new ATOM 268 N ALA A 20 11.297 5.038 5.915 1.00 0.00 N ATOM 269 CA ALA A 20 11.883 6.306 5.496 1.00 0.00 C ATOM 270 C ALA A 20 13.209 6.087 4.777 1.00 0.00 C ATOM 271 O ALA A 20 14.156 6.856 4.950 1.00 0.00 O ATOM 272 CB ALA A 20 12.076 7.220 6.697 1.00 0.00 C ATOM 0 H ALA A 20 11.977 4.306 6.118 1.00 0.00 H new ATOM 0 HA ALA A 20 11.196 6.783 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.514 8.163 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.111 7.412 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.741 6.741 7.416 1.00 0.00 H new ATOM 278 N LEU A 21 13.273 5.033 3.970 1.00 0.00 N ATOM 279 CA LEU A 21 14.485 4.713 3.224 1.00 0.00 C ATOM 280 C LEU A 21 14.395 5.230 1.792 1.00 0.00 C ATOM 281 O LEU A 21 13.304 5.449 1.268 1.00 0.00 O ATOM 282 CB LEU A 21 14.719 3.201 3.220 1.00 0.00 C ATOM 283 CG LEU A 21 14.487 2.482 4.549 1.00 0.00 C ATOM 284 CD1 LEU A 21 14.107 1.029 4.310 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.726 2.574 5.428 1.00 0.00 C ATOM 0 H LEU A 21 12.500 4.386 3.816 1.00 0.00 H new ATOM 0 HA LEU A 21 15.326 5.203 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.066 2.755 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.745 3.013 2.903 1.00 0.00 H new ATOM 0 HG LEU A 21 13.662 2.971 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.946 0.533 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.192 0.985 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.911 0.527 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.543 2.057 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.570 2.110 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.954 3.621 5.627 1.00 0.00 H new ATOM 297 N SER A 22 15.551 5.420 1.164 1.00 0.00 N ATOM 298 CA SER A 22 15.604 5.912 -0.208 1.00 0.00 C ATOM 299 C SER A 22 16.116 4.830 -1.154 1.00 0.00 C ATOM 300 O SER A 22 16.323 3.685 -0.752 1.00 0.00 O ATOM 301 CB SER A 22 16.502 7.148 -0.294 1.00 0.00 C ATOM 302 OG SER A 22 16.392 7.770 -1.563 1.00 0.00 O ATOM 0 H SER A 22 16.463 5.241 1.583 1.00 0.00 H new ATOM 0 HA SER A 22 14.593 6.185 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.227 7.857 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.538 6.862 -0.114 1.00 0.00 H new ATOM 0 HG SER A 22 16.974 8.558 -1.593 1.00 0.00 H new ATOM 308 N CYS A 23 16.317 5.202 -2.414 1.00 0.00 N ATOM 309 CA CYS A 23 16.804 4.265 -3.419 1.00 0.00 C ATOM 310 C CYS A 23 18.304 4.435 -3.639 1.00 0.00 C ATOM 311 O CYS A 23 18.758 5.468 -4.131 1.00 0.00 O ATOM 312 CB CYS A 23 16.057 4.469 -4.740 1.00 0.00 C ATOM 313 SG CYS A 23 14.264 4.726 -4.548 1.00 0.00 S ATOM 0 H CYS A 23 16.150 6.146 -2.763 1.00 0.00 H new ATOM 0 HA CYS A 23 16.620 3.253 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.483 5.329 -5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.223 3.600 -5.377 1.00 0.00 H new ATOM 318 N LYS A 24 19.069 3.412 -3.272 1.00 0.00 N ATOM 319 CA LYS A 24 20.519 3.445 -3.429 1.00 0.00 C ATOM 320 C LYS A 24 21.010 2.223 -4.198 1.00 0.00 C ATOM 321 O LYS A 24 20.244 1.297 -4.466 1.00 0.00 O ATOM 322 CB LYS A 24 21.200 3.508 -2.060 1.00 0.00 C ATOM 323 CG LYS A 24 20.441 4.339 -1.041 1.00 0.00 C ATOM 324 CD LYS A 24 19.464 3.489 -0.244 1.00 0.00 C ATOM 325 CE LYS A 24 18.897 4.255 0.941 1.00 0.00 C ATOM 326 NZ LYS A 24 19.894 4.400 2.037 1.00 0.00 N ATOM 0 H LYS A 24 18.709 2.549 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 24 20.778 4.338 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.318 2.495 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.201 3.922 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.147 4.817 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.900 5.136 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.650 3.164 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.968 2.589 0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.572 5.242 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.015 3.738 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.407 4.373 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.581 3.621 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.391 5.308 1.936 1.00 0.00 H new ATOM 340 N TYR A 25 22.291 2.226 -4.548 1.00 0.00 N ATOM 341 CA TYR A 25 22.885 1.118 -5.287 1.00 0.00 C ATOM 342 C TYR A 25 23.211 -0.045 -4.355 1.00 0.00 C ATOM 343 O TYR A 25 23.750 0.150 -3.266 1.00 0.00 O ATOM 344 CB TYR A 25 24.152 1.579 -6.009 1.00 0.00 C ATOM 345 CG TYR A 25 24.806 0.495 -6.835 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.631 -0.454 -6.244 1.00 0.00 C ATOM 347 CD2 TYR A 25 24.600 0.420 -8.207 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.232 -1.446 -6.995 1.00 0.00 C ATOM 349 CE2 TYR A 25 25.195 -0.569 -8.966 1.00 0.00 C ATOM 350 CZ TYR A 25 26.010 -1.500 -8.355 1.00 0.00 C ATOM 351 OH TYR A 25 26.606 -2.486 -9.108 1.00 0.00 O ATOM 0 H TYR A 25 22.939 2.984 -4.332 1.00 0.00 H new ATOM 0 HA TYR A 25 22.159 0.776 -6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.905 2.419 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.867 1.944 -5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.806 -0.416 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.964 1.148 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.872 -2.175 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 25 25.023 -0.613 -10.031 1.00 0.00 H new ATOM 0 HH TYR A 25 26.346 -2.383 -10.047 1.00 0.00 H new ATOM 361 N SER A 26 22.882 -1.256 -4.793 1.00 0.00 N ATOM 362 CA SER A 26 23.136 -2.452 -3.998 1.00 0.00 C ATOM 363 C SER A 26 24.079 -3.401 -4.731 1.00 0.00 C ATOM 364 O SER A 26 23.669 -4.113 -5.649 1.00 0.00 O ATOM 365 CB SER A 26 21.822 -3.166 -3.677 1.00 0.00 C ATOM 366 OG SER A 26 21.277 -2.705 -2.453 1.00 0.00 O ATOM 0 H SER A 26 22.439 -1.435 -5.694 1.00 0.00 H new ATOM 0 HA SER A 26 23.610 -2.145 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.107 -2.999 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 26 21.993 -4.241 -3.621 1.00 0.00 H new ATOM 0 HG SER A 26 21.486 -3.345 -1.741 1.00 0.00 H new ATOM 372 N ILE A 27 25.342 -3.406 -4.320 1.00 0.00 N ATOM 373 CA ILE A 27 26.343 -4.268 -4.937 1.00 0.00 C ATOM 374 C ILE A 27 25.957 -5.737 -4.808 1.00 0.00 C ATOM 375 O ILE A 27 26.099 -6.514 -5.753 1.00 0.00 O ATOM 376 CB ILE A 27 27.732 -4.057 -4.308 1.00 0.00 C ATOM 377 CG1 ILE A 27 27.996 -2.566 -4.089 1.00 0.00 C ATOM 378 CG2 ILE A 27 28.811 -4.667 -5.190 1.00 0.00 C ATOM 379 CD1 ILE A 27 27.851 -2.132 -2.647 1.00 0.00 C ATOM 0 H ILE A 27 25.697 -2.823 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 27 26.386 -3.997 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 27 27.756 -4.557 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.003 -2.330 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.306 -1.989 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 27 29.787 -4.510 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.630 -5.736 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.790 -4.193 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.052 -1.064 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 27 26.836 -2.337 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.560 -2.682 -2.028 1.00 0.00 H new ATOM 391 N LYS A 28 25.465 -6.113 -3.633 1.00 0.00 N ATOM 392 CA LYS A 28 25.054 -7.489 -3.379 1.00 0.00 C ATOM 393 C LYS A 28 23.964 -7.920 -4.356 1.00 0.00 C ATOM 394 O LYS A 28 23.941 -9.065 -4.808 1.00 0.00 O ATOM 395 CB LYS A 28 24.552 -7.637 -1.941 1.00 0.00 C ATOM 396 CG LYS A 28 23.517 -6.597 -1.548 1.00 0.00 C ATOM 397 CD LYS A 28 22.176 -7.238 -1.232 1.00 0.00 C ATOM 398 CE LYS A 28 22.113 -7.716 0.211 1.00 0.00 C ATOM 399 NZ LYS A 28 20.710 -7.838 0.694 1.00 0.00 N ATOM 0 H LYS A 28 25.341 -5.483 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 28 25.922 -8.133 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.122 -8.631 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.400 -7.569 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.870 -6.041 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 28 23.396 -5.878 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.376 -6.520 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.007 -8.080 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.612 -8.682 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.657 -7.019 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.710 -8.166 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.241 -6.911 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.197 -8.522 0.102 1.00 0.00 H new ATOM 413 N ARG A 29 23.064 -6.996 -4.677 1.00 0.00 N ATOM 414 CA ARG A 29 21.973 -7.281 -5.600 1.00 0.00 C ATOM 415 C ARG A 29 22.336 -6.855 -7.020 1.00 0.00 C ATOM 416 O ARG A 29 21.526 -6.971 -7.939 1.00 0.00 O ATOM 417 CB ARG A 29 20.697 -6.565 -5.152 1.00 0.00 C ATOM 418 CG ARG A 29 20.100 -7.130 -3.873 1.00 0.00 C ATOM 419 CD ARG A 29 18.612 -7.407 -4.028 1.00 0.00 C ATOM 420 NE ARG A 29 18.335 -8.832 -4.188 1.00 0.00 N ATOM 421 CZ ARG A 29 17.208 -9.307 -4.706 1.00 0.00 C ATOM 422 NH1 ARG A 29 16.259 -8.476 -5.114 1.00 0.00 N ATOM 423 NH2 ARG A 29 17.029 -10.617 -4.818 1.00 0.00 N ATOM 0 H ARG A 29 23.069 -6.044 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 29 21.799 -8.357 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 29 20.916 -5.507 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 29 19.956 -6.629 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 29 20.617 -8.051 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.257 -6.427 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.080 -7.030 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.230 -6.864 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 29 19.045 -9.498 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.393 -7.468 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.395 -8.844 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.757 -11.260 -4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.163 -10.981 -5.216 1.00 0.00 H new ATOM 437 N ASN A 30 23.558 -6.362 -7.190 1.00 0.00 N ATOM 438 CA ASN A 30 24.028 -5.918 -8.497 1.00 0.00 C ATOM 439 C ASN A 30 22.947 -5.120 -9.221 1.00 0.00 C ATOM 440 O ASN A 30 22.838 -5.172 -10.447 1.00 0.00 O ATOM 441 CB ASN A 30 24.447 -7.119 -9.347 1.00 0.00 C ATOM 442 CG ASN A 30 23.288 -8.053 -9.639 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.962 -8.926 -8.835 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.660 -7.872 -10.795 1.00 0.00 N ATOM 0 H ASN A 30 24.241 -6.260 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 30 24.892 -5.271 -8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.871 -6.765 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.233 -7.670 -8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.873 -8.470 -11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.965 -7.135 -11.431 1.00 0.00 H new ATOM 451 N LEU A 31 22.152 -4.382 -8.455 1.00 0.00 N ATOM 452 CA LEU A 31 21.079 -3.572 -9.023 1.00 0.00 C ATOM 453 C LEU A 31 20.768 -2.376 -8.129 1.00 0.00 C ATOM 454 O LEU A 31 21.495 -2.094 -7.176 1.00 0.00 O ATOM 455 CB LEU A 31 19.821 -4.420 -9.217 1.00 0.00 C ATOM 456 CG LEU A 31 19.945 -5.593 -10.190 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.746 -6.520 -10.063 1.00 0.00 C ATOM 458 CD2 LEU A 31 20.083 -5.088 -11.619 1.00 0.00 C ATOM 0 H LEU A 31 22.229 -4.327 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 31 21.412 -3.200 -9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.517 -4.810 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.019 -3.769 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 31 20.843 -6.157 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.851 -7.349 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.692 -6.908 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.834 -5.968 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 31 20.170 -5.936 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.204 -4.500 -11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.974 -4.465 -11.700 1.00 0.00 H new ATOM 470 N LYS A 32 19.682 -1.677 -8.441 1.00 0.00 N ATOM 471 CA LYS A 32 19.271 -0.513 -7.664 1.00 0.00 C ATOM 472 C LYS A 32 18.049 -0.834 -6.810 1.00 0.00 C ATOM 473 O LYS A 32 16.959 -1.069 -7.332 1.00 0.00 O ATOM 474 CB LYS A 32 18.963 0.663 -8.594 1.00 0.00 C ATOM 475 CG LYS A 32 19.872 0.732 -9.808 1.00 0.00 C ATOM 476 CD LYS A 32 21.334 0.831 -9.406 1.00 0.00 C ATOM 477 CE LYS A 32 22.221 1.146 -10.600 1.00 0.00 C ATOM 478 NZ LYS A 32 22.860 -0.078 -11.157 1.00 0.00 N ATOM 0 H LYS A 32 19.070 -1.896 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 32 20.093 -0.239 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.928 0.589 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.050 1.593 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 32 19.723 -0.154 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.602 1.595 -10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.452 1.606 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.652 -0.108 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.627 1.630 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.993 1.855 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.546 0.192 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.350 -0.591 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.131 -0.691 -11.574 1.00 0.00 H new ATOM 492 N ILE A 33 18.238 -0.839 -5.494 1.00 0.00 N ATOM 493 CA ILE A 33 17.150 -1.128 -4.568 1.00 0.00 C ATOM 494 C ILE A 33 17.162 -0.163 -3.388 1.00 0.00 C ATOM 495 O ILE A 33 18.077 0.648 -3.244 1.00 0.00 O ATOM 496 CB ILE A 33 17.230 -2.571 -4.038 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.293 -2.677 -2.943 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.534 -3.537 -5.174 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.595 -4.100 -2.529 1.00 0.00 C ATOM 0 H ILE A 33 19.134 -0.646 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 33 16.221 -1.006 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 33 16.265 -2.838 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.212 -2.206 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.960 -2.116 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.587 -4.553 -4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.745 -3.477 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.488 -3.273 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.357 -4.098 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.688 -4.568 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.958 -4.660 -3.391 1.00 0.00 H new ATOM 511 N CYS A 34 16.141 -0.257 -2.543 1.00 0.00 N ATOM 512 CA CYS A 34 16.033 0.606 -1.373 1.00 0.00 C ATOM 513 C CYS A 34 16.805 0.022 -0.194 1.00 0.00 C ATOM 514 O CYS A 34 17.122 -1.168 -0.172 1.00 0.00 O ATOM 515 CB CYS A 34 14.565 0.800 -0.989 1.00 0.00 C ATOM 516 SG CYS A 34 13.658 1.948 -2.075 1.00 0.00 S ATOM 0 H CYS A 34 15.376 -0.923 -2.647 1.00 0.00 H new ATOM 0 HA CYS A 34 16.466 1.574 -1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 34 14.065 -0.169 -1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.514 1.169 0.035 1.00 0.00 H new ATOM 521 N VAL A 35 17.106 0.868 0.787 1.00 0.00 N ATOM 522 CA VAL A 35 17.840 0.437 1.971 1.00 0.00 C ATOM 523 C VAL A 35 17.380 1.197 3.210 1.00 0.00 C ATOM 524 O VAL A 35 17.901 2.267 3.523 1.00 0.00 O ATOM 525 CB VAL A 35 19.357 0.635 1.794 1.00 0.00 C ATOM 526 CG1 VAL A 35 20.117 -0.001 2.948 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.817 0.062 0.461 1.00 0.00 C ATOM 0 H VAL A 35 16.853 1.856 0.785 1.00 0.00 H new ATOM 0 HA VAL A 35 17.633 -0.625 2.102 1.00 0.00 H new ATOM 0 HB VAL A 35 19.569 1.704 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.187 0.149 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.808 0.460 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.902 -1.069 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.891 0.211 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.593 -1.004 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.297 0.569 -0.352 1.00 0.00 H new TER 537 VAL A 35