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= -0.157 K(o=-0.16,f=-3.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -82:sc= 0.786 USER MOD Single : A 22 SER OG : rot 180:sc= 0.217 USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= -0.865 (180deg=-3.33!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.92 K(o=-3.9,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 4.310 0.220 -0.955 1.00 0.00 N ATOM 9 CA CYS A 2 5.614 0.850 -0.781 1.00 0.00 C ATOM 10 C CYS A 2 6.739 -0.137 -1.079 1.00 0.00 C ATOM 11 O CYS A 2 6.544 -1.351 -1.021 1.00 0.00 O ATOM 12 CB CYS A 2 5.757 1.389 0.643 1.00 0.00 C ATOM 13 SG CYS A 2 5.619 0.115 1.938 1.00 0.00 S ATOM 0 HA CYS A 2 5.686 1.679 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.723 1.884 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.992 2.147 0.811 1.00 0.00 H new ATOM 18 N ILE A 3 7.914 0.394 -1.398 1.00 0.00 N ATOM 19 CA ILE A 3 9.070 -0.440 -1.704 1.00 0.00 C ATOM 20 C ILE A 3 9.872 -0.751 -0.444 1.00 0.00 C ATOM 21 O ILE A 3 10.369 0.153 0.227 1.00 0.00 O ATOM 22 CB ILE A 3 9.995 0.235 -2.733 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.213 0.588 -4.000 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.170 -0.672 -3.065 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.520 1.969 -4.536 1.00 0.00 C ATOM 0 H ILE A 3 8.091 1.397 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 3 8.686 -1.368 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 3 10.384 1.157 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.435 -0.150 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.146 0.518 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.815 -0.180 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.739 -0.878 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.800 -1.609 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.930 2.150 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.271 2.716 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.580 2.038 -4.779 1.00 0.00 H new ATOM 37 N ALA A 4 9.995 -2.037 -0.130 1.00 0.00 N ATOM 38 CA ALA A 4 10.740 -2.468 1.046 1.00 0.00 C ATOM 39 C ALA A 4 12.242 -2.441 0.786 1.00 0.00 C ATOM 40 O ALA A 4 12.682 -2.310 -0.357 1.00 0.00 O ATOM 41 CB ALA A 4 10.300 -3.862 1.468 1.00 0.00 C ATOM 0 H ALA A 4 9.588 -2.798 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 4 10.526 -1.771 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.865 -4.171 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.236 -3.852 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.483 -4.563 0.654 1.00 0.00 H new ATOM 47 N LYS A 5 13.025 -2.565 1.852 1.00 0.00 N ATOM 48 CA LYS A 5 14.479 -2.556 1.739 1.00 0.00 C ATOM 49 C LYS A 5 14.987 -3.869 1.153 1.00 0.00 C ATOM 50 O LYS A 5 15.665 -4.640 1.831 1.00 0.00 O ATOM 51 CB LYS A 5 15.115 -2.316 3.110 1.00 0.00 C ATOM 52 CG LYS A 5 14.643 -3.286 4.178 1.00 0.00 C ATOM 53 CD LYS A 5 14.276 -2.564 5.464 1.00 0.00 C ATOM 54 CE LYS A 5 14.792 -3.308 6.687 1.00 0.00 C ATOM 55 NZ LYS A 5 16.249 -3.084 6.899 1.00 0.00 N ATOM 0 H LYS A 5 12.677 -2.673 2.805 1.00 0.00 H new ATOM 0 HA LYS A 5 14.762 -1.746 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.198 -2.391 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.892 -1.299 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.779 -3.840 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.427 -4.016 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.691 -1.556 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.193 -2.462 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.242 -2.981 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.602 -4.375 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.562 -3.608 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.776 -3.419 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.428 -2.069 7.036 1.00 0.00 H new ATOM 69 N ASN A 6 14.657 -4.116 -0.110 1.00 0.00 N ATOM 70 CA ASN A 6 15.081 -5.336 -0.787 1.00 0.00 C ATOM 71 C ASN A 6 14.576 -5.363 -2.226 1.00 0.00 C ATOM 72 O ASN A 6 15.191 -5.973 -3.101 1.00 0.00 O ATOM 73 CB ASN A 6 14.573 -6.566 -0.033 1.00 0.00 C ATOM 74 CG ASN A 6 15.185 -7.854 -0.548 1.00 0.00 C ATOM 75 OD1 ASN A 6 16.084 -7.834 -1.389 1.00 0.00 O ATOM 76 ND2 ASN A 6 14.699 -8.983 -0.044 1.00 0.00 N ATOM 0 H ASN A 6 14.097 -3.487 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 6 16.171 -5.353 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.800 -6.458 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.488 -6.621 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 6 15.071 -9.881 -0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.953 -8.952 0.651 1.00 0.00 H new ATOM 83 N LYS A 7 13.451 -4.697 -2.465 1.00 0.00 N ATOM 84 CA LYS A 7 12.862 -4.643 -3.798 1.00 0.00 C ATOM 85 C LYS A 7 13.463 -3.501 -4.612 1.00 0.00 C ATOM 86 O LYS A 7 13.845 -2.469 -4.062 1.00 0.00 O ATOM 87 CB LYS A 7 11.345 -4.470 -3.701 1.00 0.00 C ATOM 88 CG LYS A 7 10.668 -5.514 -2.831 1.00 0.00 C ATOM 89 CD LYS A 7 9.629 -6.302 -3.611 1.00 0.00 C ATOM 90 CE LYS A 7 9.178 -7.538 -2.847 1.00 0.00 C ATOM 91 NZ LYS A 7 8.055 -8.235 -3.534 1.00 0.00 N ATOM 0 H LYS A 7 12.929 -4.187 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 7 13.083 -5.583 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.126 -3.479 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.918 -4.512 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.418 -6.196 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.193 -5.027 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.768 -5.666 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.044 -6.599 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.018 -8.224 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.867 -7.251 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.776 -9.072 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.244 -7.589 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.359 -8.532 -4.483 1.00 0.00 H new ATOM 105 N GLU A 8 13.543 -3.694 -5.925 1.00 0.00 N ATOM 106 CA GLU A 8 14.097 -2.680 -6.814 1.00 0.00 C ATOM 107 C GLU A 8 13.412 -1.333 -6.596 1.00 0.00 C ATOM 108 O GLU A 8 12.250 -1.273 -6.194 1.00 0.00 O ATOM 109 CB GLU A 8 13.945 -3.111 -8.274 1.00 0.00 C ATOM 110 CG GLU A 8 12.566 -2.838 -8.849 1.00 0.00 C ATOM 111 CD GLU A 8 12.408 -3.366 -10.262 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.390 -3.917 -10.802 1.00 0.00 O ATOM 113 OE2 GLU A 8 11.303 -3.229 -10.827 1.00 0.00 O ATOM 0 H GLU A 8 13.231 -4.543 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 8 15.157 -2.571 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.690 -2.592 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.158 -4.177 -8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.812 -3.295 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.380 -1.764 -8.844 1.00 0.00 H new ATOM 120 N CYS A 9 14.142 -0.255 -6.864 1.00 0.00 N ATOM 121 CA CYS A 9 13.608 1.091 -6.697 1.00 0.00 C ATOM 122 C CYS A 9 14.266 2.062 -7.673 1.00 0.00 C ATOM 123 O CYS A 9 15.438 2.406 -7.526 1.00 0.00 O ATOM 124 CB CYS A 9 13.820 1.572 -5.260 1.00 0.00 C ATOM 125 SG CYS A 9 13.159 3.237 -4.928 1.00 0.00 S ATOM 0 H CYS A 9 15.105 -0.288 -7.198 1.00 0.00 H new ATOM 0 HA CYS A 9 12.539 1.060 -6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.350 0.863 -4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.888 1.566 -5.040 1.00 0.00 H new ATOM 130 N ALA A 10 13.502 2.500 -8.669 1.00 0.00 N ATOM 131 CA ALA A 10 14.010 3.433 -9.667 1.00 0.00 C ATOM 132 C ALA A 10 13.947 4.869 -9.159 1.00 0.00 C ATOM 133 O ALA A 10 13.038 5.234 -8.413 1.00 0.00 O ATOM 134 CB ALA A 10 13.226 3.295 -10.964 1.00 0.00 C ATOM 0 H ALA A 10 12.530 2.224 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 10 15.055 3.189 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.615 3.997 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.326 2.278 -11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.174 3.511 -10.778 1.00 0.00 H new ATOM 140 N TRP A 11 14.919 5.678 -9.565 1.00 0.00 N ATOM 141 CA TRP A 11 14.974 7.075 -9.150 1.00 0.00 C ATOM 142 C TRP A 11 13.768 7.847 -9.674 1.00 0.00 C ATOM 143 O TRP A 11 13.486 8.957 -9.223 1.00 0.00 O ATOM 144 CB TRP A 11 16.266 7.725 -9.645 1.00 0.00 C ATOM 145 CG TRP A 11 17.424 7.532 -8.714 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.493 6.663 -7.662 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.678 8.223 -8.749 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.714 6.773 -7.041 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.460 7.722 -7.690 1.00 0.00 C ATOM 150 CE3 TRP A 11 19.216 9.214 -9.574 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.749 8.181 -7.435 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.496 9.669 -9.320 1.00 0.00 C ATOM 153 CH2 TRP A 11 21.251 9.152 -8.259 1.00 0.00 C ATOM 0 H TRP A 11 15.680 5.391 -10.181 1.00 0.00 H new ATOM 0 HA TRP A 11 14.955 7.105 -8.061 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.521 7.312 -10.621 1.00 0.00 H new ATOM 0 HB3 TRP A 11 16.096 8.793 -9.785 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.704 5.989 -7.363 1.00 0.00 H new ATOM 0 HE1 TRP A 11 19.016 6.235 -6.229 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.642 9.617 -10.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 21.332 7.785 -6.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.922 10.436 -9.950 1.00 0.00 H new ATOM 0 HH2 TRP A 11 22.249 9.527 -8.088 1.00 0.00 H new ATOM 164 N PHE A 12 13.059 7.253 -10.628 1.00 0.00 N ATOM 165 CA PHE A 12 11.884 7.886 -11.214 1.00 0.00 C ATOM 166 C PHE A 12 10.727 6.895 -11.317 1.00 0.00 C ATOM 167 O PHE A 12 9.815 7.072 -12.124 1.00 0.00 O ATOM 168 CB PHE A 12 12.216 8.445 -12.598 1.00 0.00 C ATOM 169 CG PHE A 12 11.445 9.686 -12.945 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.811 10.915 -12.419 1.00 0.00 C ATOM 171 CD2 PHE A 12 10.353 9.625 -13.796 1.00 0.00 C ATOM 172 CE1 PHE A 12 11.102 12.058 -12.736 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.641 10.765 -14.116 1.00 0.00 C ATOM 174 CZ PHE A 12 10.016 11.984 -13.586 1.00 0.00 C ATOM 0 H PHE A 12 13.278 6.334 -11.012 1.00 0.00 H new ATOM 0 HA PHE A 12 11.581 8.706 -10.562 1.00 0.00 H new ATOM 0 HB2 PHE A 12 13.283 8.665 -12.646 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.014 7.680 -13.348 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.660 10.980 -11.754 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.055 8.675 -14.214 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.397 13.009 -12.319 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.792 10.703 -14.780 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.462 12.877 -13.835 1.00 0.00 H new ATOM 184 N SER A 13 10.774 5.852 -10.494 1.00 0.00 N ATOM 185 CA SER A 13 9.733 4.831 -10.496 1.00 0.00 C ATOM 186 C SER A 13 8.368 5.445 -10.201 1.00 0.00 C ATOM 187 O SER A 13 7.332 4.878 -10.545 1.00 0.00 O ATOM 188 CB SER A 13 10.051 3.748 -9.463 1.00 0.00 C ATOM 189 OG SER A 13 10.310 4.316 -8.191 1.00 0.00 O ATOM 0 H SER A 13 11.521 5.692 -9.818 1.00 0.00 H new ATOM 0 HA SER A 13 9.702 4.381 -11.488 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.214 3.053 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.916 3.172 -9.790 1.00 0.00 H new ATOM 0 HG SER A 13 11.237 4.631 -8.156 1.00 0.00 H new ATOM 195 N GLY A 14 8.377 6.611 -9.561 1.00 0.00 N ATOM 196 CA GLY A 14 7.135 7.284 -9.229 1.00 0.00 C ATOM 197 C GLY A 14 6.613 6.898 -7.860 1.00 0.00 C ATOM 198 O GLY A 14 5.789 7.605 -7.281 1.00 0.00 O ATOM 0 H GLY A 14 9.222 7.101 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.289 8.362 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.384 7.045 -9.981 1.00 0.00 H new ATOM 202 N GLU A 15 7.093 5.772 -7.341 1.00 0.00 N ATOM 203 CA GLU A 15 6.667 5.292 -6.031 1.00 0.00 C ATOM 204 C GLU A 15 7.717 5.607 -4.969 1.00 0.00 C ATOM 205 O GLU A 15 8.767 6.175 -5.269 1.00 0.00 O ATOM 206 CB GLU A 15 6.407 3.785 -6.076 1.00 0.00 C ATOM 207 CG GLU A 15 7.471 3.005 -6.829 1.00 0.00 C ATOM 208 CD GLU A 15 7.327 1.506 -6.656 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.275 1.065 -6.147 1.00 0.00 O ATOM 210 OE2 GLU A 15 8.266 0.773 -7.031 1.00 0.00 O ATOM 0 H GLU A 15 7.777 5.175 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 15 5.742 5.805 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.344 3.405 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.439 3.606 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.415 3.252 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.457 3.314 -6.482 1.00 0.00 H new ATOM 217 N TRP A 16 7.423 5.236 -3.728 1.00 0.00 N ATOM 218 CA TRP A 16 8.341 5.479 -2.621 1.00 0.00 C ATOM 219 C TRP A 16 8.537 4.216 -1.789 1.00 0.00 C ATOM 220 O TRP A 16 7.710 3.304 -1.822 1.00 0.00 O ATOM 221 CB TRP A 16 7.816 6.611 -1.736 1.00 0.00 C ATOM 222 CG TRP A 16 7.221 7.745 -2.514 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.800 8.423 -3.548 1.00 0.00 C ATOM 224 CD2 TRP A 16 5.931 8.335 -2.317 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.948 9.399 -4.006 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.794 9.364 -3.269 1.00 0.00 C ATOM 227 CE3 TRP A 16 4.877 8.091 -1.432 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.647 10.149 -3.357 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.739 8.871 -1.521 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.631 9.889 -2.478 1.00 0.00 C ATOM 0 H TRP A 16 6.557 4.766 -3.463 1.00 0.00 H new ATOM 0 HA TRP A 16 9.305 5.770 -3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.063 6.212 -1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.632 6.990 -1.121 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.783 8.222 -3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.143 10.045 -4.771 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.950 7.308 -0.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.562 10.935 -4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.919 8.693 -0.841 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.728 10.480 -2.523 1.00 0.00 H new ATOM 241 N CYS A 17 9.636 4.168 -1.044 1.00 0.00 N ATOM 242 CA CYS A 17 9.941 3.017 -0.203 1.00 0.00 C ATOM 243 C CYS A 17 9.154 3.073 1.103 1.00 0.00 C ATOM 244 O CYS A 17 8.560 4.098 1.439 1.00 0.00 O ATOM 245 CB CYS A 17 11.441 2.960 0.095 1.00 0.00 C ATOM 246 SG CYS A 17 12.499 3.206 -1.367 1.00 0.00 S ATOM 0 H CYS A 17 10.331 4.914 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 17 9.650 2.116 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.682 3.721 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.675 1.994 0.542 1.00 0.00 H new ATOM 251 N CYS A 18 9.153 1.964 1.835 1.00 0.00 N ATOM 252 CA CYS A 18 8.440 1.885 3.103 1.00 0.00 C ATOM 253 C CYS A 18 9.186 2.646 4.195 1.00 0.00 C ATOM 254 O CYS A 18 10.324 3.072 4.004 1.00 0.00 O ATOM 255 CB CYS A 18 8.256 0.424 3.519 1.00 0.00 C ATOM 256 SG CYS A 18 7.447 -0.612 2.258 1.00 0.00 S ATOM 0 H CYS A 18 9.639 1.107 1.571 1.00 0.00 H new ATOM 0 HA CYS A 18 7.460 2.344 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.232 -0.002 3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.666 0.390 4.435 1.00 0.00 H new ATOM 261 N GLY A 19 8.535 2.813 5.343 1.00 0.00 N ATOM 262 CA GLY A 19 9.151 3.522 6.449 1.00 0.00 C ATOM 263 C GLY A 19 9.672 4.887 6.044 1.00 0.00 C ATOM 264 O GLY A 19 8.894 5.813 5.816 1.00 0.00 O ATOM 0 H GLY A 19 7.592 2.470 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.424 3.638 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.973 2.926 6.846 1.00 0.00 H new ATOM 268 N ALA A 20 10.992 5.013 5.957 1.00 0.00 N ATOM 269 CA ALA A 20 11.616 6.275 5.577 1.00 0.00 C ATOM 270 C ALA A 20 12.941 6.038 4.860 1.00 0.00 C ATOM 271 O ALA A 20 13.844 6.874 4.913 1.00 0.00 O ATOM 272 CB ALA A 20 11.825 7.150 6.803 1.00 0.00 C ATOM 0 H ALA A 20 11.650 4.257 6.144 1.00 0.00 H new ATOM 0 HA ALA A 20 10.947 6.790 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.292 8.089 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.863 7.356 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.471 6.633 7.513 1.00 0.00 H new ATOM 278 N LEU A 21 13.051 4.895 4.192 1.00 0.00 N ATOM 279 CA LEU A 21 14.267 4.548 3.465 1.00 0.00 C ATOM 280 C LEU A 21 14.207 5.057 2.029 1.00 0.00 C ATOM 281 O LEU A 21 13.127 5.304 1.492 1.00 0.00 O ATOM 282 CB LEU A 21 14.475 3.032 3.473 1.00 0.00 C ATOM 283 CG LEU A 21 14.158 2.318 4.787 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.509 0.969 4.519 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.420 2.149 5.620 1.00 0.00 C ATOM 0 H LEU A 21 12.313 4.193 4.139 1.00 0.00 H new ATOM 0 HA LEU A 21 15.109 5.027 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.857 2.596 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.513 2.826 3.212 1.00 0.00 H new ATOM 0 HG LEU A 21 13.454 2.931 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.291 0.476 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.582 1.115 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.188 0.348 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.175 1.639 6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.147 1.558 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.843 3.129 5.843 1.00 0.00 H new ATOM 297 N SER A 22 15.374 5.211 1.411 1.00 0.00 N ATOM 298 CA SER A 22 15.454 5.692 0.037 1.00 0.00 C ATOM 299 C SER A 22 15.953 4.592 -0.895 1.00 0.00 C ATOM 300 O SER A 22 16.045 3.427 -0.508 1.00 0.00 O ATOM 301 CB SER A 22 16.381 6.907 -0.047 1.00 0.00 C ATOM 302 OG SER A 22 16.244 7.567 -1.293 1.00 0.00 O ATOM 0 H SER A 22 16.277 5.010 1.840 1.00 0.00 H new ATOM 0 HA SER A 22 14.453 5.985 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.152 7.600 0.762 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.415 6.590 0.088 1.00 0.00 H new ATOM 0 HG SER A 22 16.845 8.340 -1.321 1.00 0.00 H new ATOM 308 N CYS A 23 16.274 4.971 -2.128 1.00 0.00 N ATOM 309 CA CYS A 23 16.763 4.019 -3.118 1.00 0.00 C ATOM 310 C CYS A 23 18.285 4.074 -3.220 1.00 0.00 C ATOM 311 O CYS A 23 18.858 5.102 -3.584 1.00 0.00 O ATOM 312 CB CYS A 23 16.139 4.307 -4.485 1.00 0.00 C ATOM 313 SG CYS A 23 14.343 4.610 -4.433 1.00 0.00 S ATOM 0 H CYS A 23 16.204 5.931 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 23 16.473 3.018 -2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.631 5.176 -4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.336 3.464 -5.147 1.00 0.00 H new ATOM 318 N LYS A 24 18.935 2.961 -2.896 1.00 0.00 N ATOM 319 CA LYS A 24 20.389 2.880 -2.951 1.00 0.00 C ATOM 320 C LYS A 24 20.836 1.769 -3.896 1.00 0.00 C ATOM 321 O LYS A 24 20.116 0.792 -4.106 1.00 0.00 O ATOM 322 CB LYS A 24 20.961 2.636 -1.553 1.00 0.00 C ATOM 323 CG LYS A 24 20.457 3.619 -0.510 1.00 0.00 C ATOM 324 CD LYS A 24 19.115 3.190 0.058 1.00 0.00 C ATOM 325 CE LYS A 24 18.904 3.734 1.462 1.00 0.00 C ATOM 326 NZ LYS A 24 18.930 5.223 1.490 1.00 0.00 N ATOM 0 H LYS A 24 18.477 2.102 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 24 20.767 3.830 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.709 1.624 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.048 2.694 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.185 3.700 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.364 4.609 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.314 3.541 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.058 2.102 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.948 3.380 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.679 3.345 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.698 5.545 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.089 5.586 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.021 5.579 1.848 1.00 0.00 H new ATOM 340 N TYR A 25 22.028 1.923 -4.461 1.00 0.00 N ATOM 341 CA TYR A 25 22.570 0.933 -5.384 1.00 0.00 C ATOM 342 C TYR A 25 23.176 -0.244 -4.626 1.00 0.00 C ATOM 343 O TYR A 25 23.941 -0.060 -3.679 1.00 0.00 O ATOM 344 CB TYR A 25 23.628 1.571 -6.286 1.00 0.00 C ATOM 345 CG TYR A 25 24.262 0.601 -7.257 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.355 -0.171 -6.885 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.765 0.454 -8.547 1.00 0.00 C ATOM 348 CE1 TYR A 25 25.938 -1.058 -7.769 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.340 -0.432 -9.437 1.00 0.00 C ATOM 350 CZ TYR A 25 25.426 -1.186 -9.043 1.00 0.00 C ATOM 351 OH TYR A 25 26.003 -2.070 -9.927 1.00 0.00 O ATOM 0 H TYR A 25 22.638 2.724 -4.296 1.00 0.00 H new ATOM 0 HA TYR A 25 21.751 0.562 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.171 2.387 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.407 2.010 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.756 -0.076 -5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.915 1.043 -8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.790 -1.648 -7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.942 -0.534 -10.436 1.00 0.00 H new ATOM 0 HH TYR A 25 25.522 -2.040 -10.780 1.00 0.00 H new ATOM 361 N SER A 26 22.828 -1.455 -5.050 1.00 0.00 N ATOM 362 CA SER A 26 23.334 -2.664 -4.411 1.00 0.00 C ATOM 363 C SER A 26 24.298 -3.403 -5.333 1.00 0.00 C ATOM 364 O SER A 26 23.878 -4.135 -6.230 1.00 0.00 O ATOM 365 CB SER A 26 22.175 -3.583 -4.022 1.00 0.00 C ATOM 366 OG SER A 26 21.716 -3.300 -2.712 1.00 0.00 O ATOM 0 H SER A 26 22.197 -1.625 -5.834 1.00 0.00 H new ATOM 0 HA SER A 26 23.874 -2.371 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.357 -3.461 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.496 -4.623 -4.081 1.00 0.00 H new ATOM 0 HG SER A 26 20.974 -3.900 -2.489 1.00 0.00 H new ATOM 372 N ILE A 27 25.593 -3.207 -5.105 1.00 0.00 N ATOM 373 CA ILE A 27 26.617 -3.856 -5.914 1.00 0.00 C ATOM 374 C ILE A 27 26.476 -5.374 -5.865 1.00 0.00 C ATOM 375 O ILE A 27 26.580 -6.051 -6.888 1.00 0.00 O ATOM 376 CB ILE A 27 28.033 -3.468 -5.447 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.101 -1.969 -5.147 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.061 -3.850 -6.501 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.097 -1.648 -3.668 1.00 0.00 C ATOM 0 H ILE A 27 25.957 -2.604 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 27 26.474 -3.513 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 27 28.261 -4.014 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.004 -1.557 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.254 -1.473 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.056 -3.570 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.025 -4.926 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.839 -3.328 -7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.147 -0.568 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.182 -2.030 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.959 -2.115 -3.192 1.00 0.00 H new ATOM 391 N LYS A 28 26.238 -5.902 -4.670 1.00 0.00 N ATOM 392 CA LYS A 28 26.079 -7.340 -4.486 1.00 0.00 C ATOM 393 C LYS A 28 24.902 -7.866 -5.302 1.00 0.00 C ATOM 394 O LYS A 28 24.966 -8.957 -5.868 1.00 0.00 O ATOM 395 CB LYS A 28 25.873 -7.666 -3.005 1.00 0.00 C ATOM 396 CG LYS A 28 26.866 -6.975 -2.087 1.00 0.00 C ATOM 397 CD LYS A 28 26.236 -5.789 -1.377 1.00 0.00 C ATOM 398 CE LYS A 28 25.845 -6.137 0.051 1.00 0.00 C ATOM 399 NZ LYS A 28 25.129 -5.016 0.720 1.00 0.00 N ATOM 0 H LYS A 28 26.151 -5.355 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 28 26.988 -7.829 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.862 -7.379 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.950 -8.744 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.237 -7.687 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 28 27.726 -6.639 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.936 -4.954 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 28 25.354 -5.461 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.210 -7.023 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 28 26.739 -6.388 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.880 -5.293 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.744 -4.178 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.262 -4.793 0.191 1.00 0.00 H new ATOM 413 N ARG A 29 23.830 -7.082 -5.359 1.00 0.00 N ATOM 414 CA ARG A 29 22.640 -7.470 -6.106 1.00 0.00 C ATOM 415 C ARG A 29 22.700 -6.943 -7.537 1.00 0.00 C ATOM 416 O ARG A 29 21.746 -7.082 -8.300 1.00 0.00 O ATOM 417 CB ARG A 29 21.382 -6.944 -5.411 1.00 0.00 C ATOM 418 CG ARG A 29 21.113 -7.596 -4.064 1.00 0.00 C ATOM 419 CD ARG A 29 19.675 -8.082 -3.959 1.00 0.00 C ATOM 420 NE ARG A 29 19.428 -8.789 -2.705 1.00 0.00 N ATOM 421 CZ ARG A 29 18.396 -9.604 -2.513 1.00 0.00 C ATOM 422 NH1 ARG A 29 17.522 -9.814 -3.487 1.00 0.00 N ATOM 423 NH2 ARG A 29 18.238 -10.211 -1.343 1.00 0.00 N ATOM 0 H ARG A 29 23.762 -6.175 -4.897 1.00 0.00 H new ATOM 0 HA ARG A 29 22.602 -8.559 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.477 -5.867 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.523 -7.106 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.794 -8.436 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.317 -6.882 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.998 -7.231 -4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.453 -8.742 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 29 20.083 -8.650 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.640 -9.349 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.731 -10.440 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.909 -10.052 -0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.446 -10.836 -1.196 1.00 0.00 H new ATOM 437 N ASN A 30 23.829 -6.339 -7.892 1.00 0.00 N ATOM 438 CA ASN A 30 24.014 -5.791 -9.231 1.00 0.00 C ATOM 439 C ASN A 30 22.756 -5.069 -9.702 1.00 0.00 C ATOM 440 O ASN A 30 22.408 -5.110 -10.883 1.00 0.00 O ATOM 441 CB ASN A 30 24.375 -6.905 -10.215 1.00 0.00 C ATOM 442 CG ASN A 30 23.290 -7.960 -10.318 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.183 -7.684 -10.781 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.603 -9.175 -9.885 1.00 0.00 N ATOM 0 H ASN A 30 24.629 -6.217 -7.272 1.00 0.00 H new ATOM 0 HA ASN A 30 24.831 -5.071 -9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.552 -6.473 -11.200 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.307 -7.375 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.913 -9.925 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.533 -9.358 -9.509 1.00 0.00 H new ATOM 451 N LEU A 31 22.076 -4.408 -8.771 1.00 0.00 N ATOM 452 CA LEU A 31 20.856 -3.675 -9.090 1.00 0.00 C ATOM 453 C LEU A 31 20.660 -2.502 -8.135 1.00 0.00 C ATOM 454 O LEU A 31 21.556 -2.157 -7.365 1.00 0.00 O ATOM 455 CB LEU A 31 19.646 -4.608 -9.025 1.00 0.00 C ATOM 456 CG LEU A 31 19.619 -5.744 -10.048 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.577 -6.784 -9.665 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.343 -5.200 -11.442 1.00 0.00 C ATOM 0 H LEU A 31 22.349 -4.365 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 31 20.951 -3.283 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.601 -5.044 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.744 -4.010 -9.152 1.00 0.00 H new ATOM 0 HG LEU A 31 20.597 -6.224 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.573 -7.584 -10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.818 -7.197 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.593 -6.317 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.327 -6.023 -12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.378 -4.694 -11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.126 -4.494 -11.719 1.00 0.00 H new ATOM 470 N LYS A 32 19.480 -1.894 -8.188 1.00 0.00 N ATOM 471 CA LYS A 32 19.162 -0.761 -7.326 1.00 0.00 C ATOM 472 C LYS A 32 17.899 -1.031 -6.516 1.00 0.00 C ATOM 473 O LYS A 32 16.803 -1.124 -7.071 1.00 0.00 O ATOM 474 CB LYS A 32 18.984 0.508 -8.162 1.00 0.00 C ATOM 475 CG LYS A 32 20.277 1.025 -8.768 1.00 0.00 C ATOM 476 CD LYS A 32 20.536 0.415 -10.135 1.00 0.00 C ATOM 477 CE LYS A 32 19.539 0.918 -11.168 1.00 0.00 C ATOM 478 NZ LYS A 32 20.046 0.748 -12.558 1.00 0.00 N ATOM 0 H LYS A 32 18.727 -2.167 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 32 19.992 -0.619 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.272 0.308 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.549 1.287 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.230 2.110 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.109 0.795 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.549 0.658 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.475 -0.671 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.598 0.380 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.327 1.971 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.338 1.103 -13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.931 1.282 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.224 -0.260 -12.742 1.00 0.00 H new ATOM 492 N ILE A 33 18.058 -1.155 -5.203 1.00 0.00 N ATOM 493 CA ILE A 33 16.929 -1.412 -4.318 1.00 0.00 C ATOM 494 C ILE A 33 16.938 -0.460 -3.126 1.00 0.00 C ATOM 495 O ILE A 33 17.892 0.292 -2.924 1.00 0.00 O ATOM 496 CB ILE A 33 16.937 -2.863 -3.801 1.00 0.00 C ATOM 497 CG1 ILE A 33 17.949 -3.017 -2.664 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.255 -3.826 -4.935 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.203 -4.456 -2.272 1.00 0.00 C ATOM 0 H ILE A 33 18.958 -1.082 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 33 16.025 -1.249 -4.905 1.00 0.00 H new ATOM 0 HB ILE A 33 15.946 -3.102 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 33 18.892 -2.558 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.590 -2.469 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.257 -4.848 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.500 -3.731 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.236 -3.590 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 33 18.930 -4.489 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.270 -4.913 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.592 -5.004 -3.130 1.00 0.00 H new ATOM 511 N CYS A 34 15.869 -0.498 -2.338 1.00 0.00 N ATOM 512 CA CYS A 34 15.752 0.359 -1.165 1.00 0.00 C ATOM 513 C CYS A 34 16.498 -0.240 0.024 1.00 0.00 C ATOM 514 O CYS A 34 16.750 -1.445 0.069 1.00 0.00 O ATOM 515 CB CYS A 34 14.280 0.568 -0.804 1.00 0.00 C ATOM 516 SG CYS A 34 13.382 1.665 -1.949 1.00 0.00 S ATOM 0 H CYS A 34 15.071 -1.114 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 34 16.201 1.323 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.782 -0.401 -0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.219 0.982 0.202 1.00 0.00 H new ATOM 521 N VAL A 35 16.848 0.608 0.985 1.00 0.00 N ATOM 522 CA VAL A 35 17.564 0.163 2.175 1.00 0.00 C ATOM 523 C VAL A 35 17.214 1.026 3.382 1.00 0.00 C ATOM 524 O VAL A 35 17.951 1.948 3.733 1.00 0.00 O ATOM 525 CB VAL A 35 19.089 0.196 1.958 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.813 -0.374 3.168 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.463 -0.564 0.695 1.00 0.00 C ATOM 0 H VAL A 35 16.647 1.608 0.963 1.00 0.00 H new ATOM 0 HA VAL A 35 17.254 -0.865 2.365 1.00 0.00 H new ATOM 0 HB VAL A 35 19.399 1.234 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.889 -0.342 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.569 0.218 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.501 -1.406 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.544 -0.531 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.141 -1.601 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.973 -0.106 -0.164 1.00 0.00 H new