USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -171:sc=-0.00645 (180deg=-0.106) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -82:sc= 0.341 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -115:sc=-0.00368 (180deg=-0.591) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -140:sc= -0.0367 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.33! C(o=-3.3!,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.322 -1.348 -1.741 1.00 0.00 N ATOM 2 CA GLY A 1 2.106 0.040 -1.376 1.00 0.00 C ATOM 3 C GLY A 1 3.396 0.834 -1.322 1.00 0.00 C ATOM 4 O GLY A 1 3.425 2.012 -1.679 1.00 0.00 O ATOM 0 H1 GLY A 1 1.405 -1.808 -1.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.900 -1.394 -2.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.816 -1.838 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.430 0.501 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.615 0.084 -0.404 1.00 0.00 H new ATOM 8 N CYS A 2 4.467 0.188 -0.872 1.00 0.00 N ATOM 9 CA CYS A 2 5.767 0.841 -0.770 1.00 0.00 C ATOM 10 C CYS A 2 6.894 -0.140 -1.082 1.00 0.00 C ATOM 11 O CYS A 2 6.705 -1.355 -1.031 1.00 0.00 O ATOM 12 CB CYS A 2 5.959 1.425 0.631 1.00 0.00 C ATOM 13 SG CYS A 2 5.752 0.215 1.977 1.00 0.00 S ATOM 0 H CYS A 2 4.460 -0.787 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 2 5.798 1.649 -1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.956 1.860 0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.247 2.238 0.775 1.00 0.00 H new ATOM 18 N ILE A 3 8.065 0.398 -1.405 1.00 0.00 N ATOM 19 CA ILE A 3 9.223 -0.429 -1.724 1.00 0.00 C ATOM 20 C ILE A 3 10.038 -0.740 -0.474 1.00 0.00 C ATOM 21 O ILE A 3 10.545 0.164 0.190 1.00 0.00 O ATOM 22 CB ILE A 3 10.134 0.254 -2.761 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.341 0.596 -4.024 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.317 -0.641 -3.097 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.506 2.031 -4.472 1.00 0.00 C ATOM 0 H ILE A 3 8.237 1.402 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 3 8.840 -1.359 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 3 10.515 1.181 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.655 -0.066 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.284 0.400 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.952 -0.145 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.893 -0.837 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.955 -1.583 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.916 2.201 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.165 2.700 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.557 2.227 -4.685 1.00 0.00 H new ATOM 37 N ALA A 4 10.160 -2.026 -0.159 1.00 0.00 N ATOM 38 CA ALA A 4 10.917 -2.457 1.010 1.00 0.00 C ATOM 39 C ALA A 4 12.416 -2.436 0.732 1.00 0.00 C ATOM 40 O ALA A 4 12.843 -2.302 -0.415 1.00 0.00 O ATOM 41 CB ALA A 4 10.477 -3.849 1.440 1.00 0.00 C ATOM 0 H ALA A 4 9.745 -2.787 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 4 10.715 -1.757 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.051 -4.158 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.416 -3.835 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.649 -4.553 0.626 1.00 0.00 H new ATOM 47 N LYS A 5 13.211 -2.568 1.788 1.00 0.00 N ATOM 48 CA LYS A 5 14.663 -2.565 1.659 1.00 0.00 C ATOM 49 C LYS A 5 15.159 -3.877 1.059 1.00 0.00 C ATOM 50 O LYS A 5 15.805 -4.675 1.736 1.00 0.00 O ATOM 51 CB LYS A 5 15.317 -2.337 3.023 1.00 0.00 C ATOM 52 CG LYS A 5 14.852 -3.312 4.091 1.00 0.00 C ATOM 53 CD LYS A 5 16.019 -3.847 4.904 1.00 0.00 C ATOM 54 CE LYS A 5 16.167 -5.353 4.743 1.00 0.00 C ATOM 55 NZ LYS A 5 17.595 -5.763 4.642 1.00 0.00 N ATOM 0 H LYS A 5 12.873 -2.679 2.744 1.00 0.00 H new ATOM 0 HA LYS A 5 14.941 -1.751 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.399 -2.417 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.104 -1.320 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.143 -2.816 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.323 -4.142 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.939 -3.354 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.872 -3.605 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.704 -5.856 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.632 -5.677 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.653 -6.796 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.031 -5.303 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.100 -5.477 5.505 1.00 0.00 H new ATOM 69 N ASN A 6 14.852 -4.093 -0.216 1.00 0.00 N ATOM 70 CA ASN A 6 15.267 -5.308 -0.908 1.00 0.00 C ATOM 71 C ASN A 6 14.734 -5.331 -2.337 1.00 0.00 C ATOM 72 O ASN A 6 15.332 -5.936 -3.226 1.00 0.00 O ATOM 73 CB ASN A 6 14.779 -6.543 -0.149 1.00 0.00 C ATOM 74 CG ASN A 6 14.791 -7.793 -1.009 1.00 0.00 C ATOM 75 OD1 ASN A 6 15.759 -8.059 -1.722 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.714 -8.566 -0.945 1.00 0.00 N ATOM 0 H ASN A 6 14.317 -3.442 -0.791 1.00 0.00 H new ATOM 0 HA ASN A 6 16.356 -5.320 -0.947 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.410 -6.701 0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.767 -6.366 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.665 -9.420 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.935 -8.306 -0.340 1.00 0.00 H new ATOM 83 N LYS A 7 13.603 -4.666 -2.551 1.00 0.00 N ATOM 84 CA LYS A 7 12.988 -4.607 -3.871 1.00 0.00 C ATOM 85 C LYS A 7 13.566 -3.457 -4.690 1.00 0.00 C ATOM 86 O LYS A 7 13.909 -2.408 -4.146 1.00 0.00 O ATOM 87 CB LYS A 7 11.472 -4.444 -3.743 1.00 0.00 C ATOM 88 CG LYS A 7 10.816 -5.511 -2.883 1.00 0.00 C ATOM 89 CD LYS A 7 9.772 -6.292 -3.664 1.00 0.00 C ATOM 90 CE LYS A 7 9.404 -7.588 -2.959 1.00 0.00 C ATOM 91 NZ LYS A 7 8.169 -7.443 -2.140 1.00 0.00 N ATOM 0 H LYS A 7 13.094 -4.160 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 7 13.205 -5.542 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.255 -3.463 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.027 -4.467 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.577 -6.195 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.349 -5.044 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.879 -5.680 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.153 -6.514 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.259 -8.375 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.229 -7.900 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.952 -8.348 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.316 -6.710 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.375 -7.170 -2.754 1.00 0.00 H new ATOM 105 N GLU A 8 13.669 -3.662 -5.999 1.00 0.00 N ATOM 106 CA GLU A 8 14.205 -2.641 -6.892 1.00 0.00 C ATOM 107 C GLU A 8 13.479 -1.312 -6.697 1.00 0.00 C ATOM 108 O GLU A 8 12.315 -1.281 -6.295 1.00 0.00 O ATOM 109 CB GLU A 8 14.085 -3.091 -8.349 1.00 0.00 C ATOM 110 CG GLU A 8 12.702 -2.873 -8.941 1.00 0.00 C ATOM 111 CD GLU A 8 12.580 -3.418 -10.351 1.00 0.00 C ATOM 112 OE1 GLU A 8 12.787 -4.635 -10.537 1.00 0.00 O ATOM 113 OE2 GLU A 8 12.276 -2.627 -11.269 1.00 0.00 O ATOM 0 H GLU A 8 13.389 -4.525 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 8 15.258 -2.499 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.817 -2.551 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.337 -4.149 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.958 -3.352 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.477 -1.806 -8.947 1.00 0.00 H new ATOM 120 N CYS A 9 14.175 -0.217 -6.984 1.00 0.00 N ATOM 121 CA CYS A 9 13.599 1.114 -6.841 1.00 0.00 C ATOM 122 C CYS A 9 14.220 2.086 -7.840 1.00 0.00 C ATOM 123 O CYS A 9 15.432 2.294 -7.848 1.00 0.00 O ATOM 124 CB CYS A 9 13.805 1.631 -5.415 1.00 0.00 C ATOM 125 SG CYS A 9 13.029 3.247 -5.091 1.00 0.00 S ATOM 0 H CYS A 9 15.139 -0.226 -7.317 1.00 0.00 H new ATOM 0 HA CYS A 9 12.531 1.044 -7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.404 0.900 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.874 1.707 -5.219 1.00 0.00 H new ATOM 130 N ALA A 10 13.378 2.678 -8.682 1.00 0.00 N ATOM 131 CA ALA A 10 13.843 3.629 -9.684 1.00 0.00 C ATOM 132 C ALA A 10 13.711 5.063 -9.183 1.00 0.00 C ATOM 133 O ALA A 10 12.799 5.382 -8.419 1.00 0.00 O ATOM 134 CB ALA A 10 13.071 3.448 -10.982 1.00 0.00 C ATOM 0 H ALA A 10 12.371 2.515 -8.690 1.00 0.00 H new ATOM 0 HA ALA A 10 14.899 3.434 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.429 4.165 -11.721 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.221 2.435 -11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.009 3.614 -10.800 1.00 0.00 H new ATOM 140 N TRP A 11 14.626 5.923 -9.616 1.00 0.00 N ATOM 141 CA TRP A 11 14.611 7.324 -9.210 1.00 0.00 C ATOM 142 C TRP A 11 13.355 8.024 -9.717 1.00 0.00 C ATOM 143 O TRP A 11 13.018 9.119 -9.266 1.00 0.00 O ATOM 144 CB TRP A 11 15.857 8.041 -9.733 1.00 0.00 C ATOM 145 CG TRP A 11 17.038 7.922 -8.818 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.178 7.061 -7.767 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.245 8.691 -8.873 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.399 7.249 -7.165 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.072 8.242 -7.825 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.708 9.713 -9.706 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.334 8.782 -7.590 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.960 10.248 -9.471 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.762 9.782 -8.421 1.00 0.00 C ATOM 0 H TRP A 11 15.387 5.675 -10.248 1.00 0.00 H new ATOM 0 HA TRP A 11 14.610 7.361 -8.121 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.120 7.633 -10.709 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.625 9.096 -9.881 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.438 6.339 -7.455 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.747 6.732 -6.357 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.098 10.078 -10.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.953 8.424 -6.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.327 11.039 -10.108 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.737 10.220 -8.264 1.00 0.00 H new ATOM 164 N PHE A 12 12.666 7.386 -10.657 1.00 0.00 N ATOM 165 CA PHE A 12 11.447 7.950 -11.227 1.00 0.00 C ATOM 166 C PHE A 12 10.344 6.898 -11.298 1.00 0.00 C ATOM 167 O PHE A 12 9.407 7.018 -12.088 1.00 0.00 O ATOM 168 CB PHE A 12 11.723 8.511 -12.623 1.00 0.00 C ATOM 169 CG PHE A 12 10.881 9.706 -12.966 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.188 10.957 -12.455 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.780 9.579 -13.798 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.415 12.059 -12.769 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.004 10.677 -14.115 1.00 0.00 C ATOM 174 CZ PHE A 12 9.321 11.918 -13.599 1.00 0.00 C ATOM 0 H PHE A 12 12.930 6.479 -11.040 1.00 0.00 H new ATOM 0 HA PHE A 12 11.113 8.759 -10.578 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.775 8.786 -12.694 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.547 7.729 -13.361 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.042 11.072 -11.803 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.526 8.611 -14.203 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.667 13.029 -12.366 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.150 10.565 -14.766 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.714 12.777 -13.844 1.00 0.00 H new ATOM 184 N SER A 13 10.463 5.867 -10.468 1.00 0.00 N ATOM 185 CA SER A 13 9.479 4.791 -10.439 1.00 0.00 C ATOM 186 C SER A 13 8.090 5.333 -10.112 1.00 0.00 C ATOM 187 O SER A 13 7.079 4.694 -10.398 1.00 0.00 O ATOM 188 CB SER A 13 9.880 3.732 -9.410 1.00 0.00 C ATOM 189 OG SER A 13 10.039 4.305 -8.124 1.00 0.00 O ATOM 0 H SER A 13 11.231 5.754 -9.806 1.00 0.00 H new ATOM 0 HA SER A 13 9.448 4.334 -11.428 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.120 2.951 -9.372 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.811 3.256 -9.717 1.00 0.00 H new ATOM 0 HG SER A 13 10.927 4.714 -8.056 1.00 0.00 H new ATOM 195 N GLY A 14 8.051 6.519 -9.511 1.00 0.00 N ATOM 196 CA GLY A 14 6.783 7.128 -9.155 1.00 0.00 C ATOM 197 C GLY A 14 6.340 6.766 -7.751 1.00 0.00 C ATOM 198 O GLY A 14 5.550 7.484 -7.139 1.00 0.00 O ATOM 0 H GLY A 14 8.875 7.068 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.868 8.212 -9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.020 6.813 -9.866 1.00 0.00 H new ATOM 202 N GLU A 15 6.848 5.649 -7.241 1.00 0.00 N ATOM 203 CA GLU A 15 6.497 5.192 -5.901 1.00 0.00 C ATOM 204 C GLU A 15 7.600 5.534 -4.904 1.00 0.00 C ATOM 205 O GLU A 15 8.616 6.128 -5.265 1.00 0.00 O ATOM 206 CB GLU A 15 6.245 3.683 -5.903 1.00 0.00 C ATOM 207 CG GLU A 15 7.296 2.891 -6.661 1.00 0.00 C ATOM 208 CD GLU A 15 6.849 2.518 -8.061 1.00 0.00 C ATOM 209 OE1 GLU A 15 5.944 3.195 -8.594 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.403 1.551 -8.624 1.00 0.00 O ATOM 0 H GLU A 15 7.504 5.044 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 15 5.585 5.705 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.208 3.328 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.267 3.487 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.214 3.476 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.532 1.984 -6.105 1.00 0.00 H new ATOM 217 N TRP A 16 7.392 5.155 -3.648 1.00 0.00 N ATOM 218 CA TRP A 16 8.368 5.421 -2.598 1.00 0.00 C ATOM 219 C TRP A 16 8.606 4.178 -1.747 1.00 0.00 C ATOM 220 O TRP A 16 7.774 3.270 -1.711 1.00 0.00 O ATOM 221 CB TRP A 16 7.894 6.576 -1.714 1.00 0.00 C ATOM 222 CG TRP A 16 7.274 7.700 -2.487 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.802 8.336 -3.574 1.00 0.00 C ATOM 224 CD2 TRP A 16 6.011 8.323 -2.230 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.943 9.316 -4.009 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.836 9.327 -3.202 1.00 0.00 C ATOM 227 CE3 TRP A 16 5.009 8.127 -1.276 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.702 10.133 -3.243 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.884 8.928 -1.318 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.737 9.921 -2.297 1.00 0.00 C ATOM 0 H TRP A 16 6.556 4.663 -3.332 1.00 0.00 H new ATOM 0 HA TRP A 16 9.309 5.698 -3.073 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.170 6.198 -0.992 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.741 6.960 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.755 8.103 -4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.103 9.935 -4.804 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.112 7.363 -0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.588 10.899 -3.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.104 8.787 -0.584 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.845 10.530 -2.304 1.00 0.00 H new ATOM 241 N CYS A 17 9.745 4.143 -1.064 1.00 0.00 N ATOM 242 CA CYS A 17 10.092 3.010 -0.214 1.00 0.00 C ATOM 243 C CYS A 17 9.326 3.066 1.105 1.00 0.00 C ATOM 244 O CYS A 17 8.769 4.102 1.470 1.00 0.00 O ATOM 245 CB CYS A 17 11.597 2.993 0.058 1.00 0.00 C ATOM 246 SG CYS A 17 12.624 3.259 -1.423 1.00 0.00 S ATOM 0 H CYS A 17 10.444 4.886 -1.082 1.00 0.00 H new ATOM 0 HA CYS A 17 9.814 2.095 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.831 3.764 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.864 2.035 0.505 1.00 0.00 H new ATOM 251 N CYS A 18 9.303 1.944 1.817 1.00 0.00 N ATOM 252 CA CYS A 18 8.607 1.863 3.095 1.00 0.00 C ATOM 253 C CYS A 18 9.368 2.620 4.179 1.00 0.00 C ATOM 254 O CYS A 18 10.512 3.027 3.979 1.00 0.00 O ATOM 255 CB CYS A 18 8.427 0.401 3.510 1.00 0.00 C ATOM 256 SG CYS A 18 7.621 -0.637 2.247 1.00 0.00 S ATOM 0 H CYS A 18 9.759 1.078 1.530 1.00 0.00 H new ATOM 0 HA CYS A 18 7.626 2.324 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.404 -0.022 3.743 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.837 0.364 4.426 1.00 0.00 H new ATOM 261 N GLY A 19 8.725 2.805 5.327 1.00 0.00 N ATOM 262 CA GLY A 19 9.356 3.513 6.426 1.00 0.00 C ATOM 263 C GLY A 19 9.899 4.865 6.008 1.00 0.00 C ATOM 264 O GLY A 19 9.136 5.798 5.761 1.00 0.00 O ATOM 0 H GLY A 19 7.778 2.477 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.633 3.648 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.168 2.906 6.826 1.00 0.00 H new ATOM 268 N ALA A 20 11.222 4.972 5.931 1.00 0.00 N ATOM 269 CA ALA A 20 11.866 6.220 5.541 1.00 0.00 C ATOM 270 C ALA A 20 13.194 5.956 4.840 1.00 0.00 C ATOM 271 O ALA A 20 14.160 6.699 5.017 1.00 0.00 O ATOM 272 CB ALA A 20 12.077 7.108 6.758 1.00 0.00 C ATOM 0 H ALA A 20 11.868 4.209 6.134 1.00 0.00 H new ATOM 0 HA ALA A 20 11.210 6.735 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.559 8.037 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.114 7.333 7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.710 6.592 7.480 1.00 0.00 H new ATOM 278 N LEU A 21 13.236 4.894 4.043 1.00 0.00 N ATOM 279 CA LEU A 21 14.447 4.531 3.315 1.00 0.00 C ATOM 280 C LEU A 21 14.411 5.077 1.892 1.00 0.00 C ATOM 281 O LEU A 21 13.342 5.365 1.354 1.00 0.00 O ATOM 282 CB LEU A 21 14.613 3.010 3.286 1.00 0.00 C ATOM 283 CG LEU A 21 14.335 2.280 4.601 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.897 0.848 4.334 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.567 2.304 5.495 1.00 0.00 C ATOM 0 H LEU A 21 12.446 4.269 3.884 1.00 0.00 H new ATOM 0 HA LEU A 21 15.298 4.973 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.949 2.606 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.632 2.782 2.975 1.00 0.00 H new ATOM 0 HG LEU A 21 13.525 2.796 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.704 0.344 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.988 0.852 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.685 0.321 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.351 1.780 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.396 1.812 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.837 3.337 5.714 1.00 0.00 H new ATOM 297 N SER A 22 15.586 5.215 1.286 1.00 0.00 N ATOM 298 CA SER A 22 15.689 5.728 -0.075 1.00 0.00 C ATOM 299 C SER A 22 16.144 4.633 -1.035 1.00 0.00 C ATOM 300 O SER A 22 16.319 3.480 -0.642 1.00 0.00 O ATOM 301 CB SER A 22 16.665 6.905 -0.126 1.00 0.00 C ATOM 302 OG SER A 22 16.000 8.130 0.132 1.00 0.00 O ATOM 0 H SER A 22 16.480 4.979 1.716 1.00 0.00 H new ATOM 0 HA SER A 22 14.701 6.071 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.458 6.756 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.141 6.945 -1.106 1.00 0.00 H new ATOM 0 HG SER A 22 16.645 8.867 0.095 1.00 0.00 H new ATOM 308 N CYS A 23 16.334 5.004 -2.297 1.00 0.00 N ATOM 309 CA CYS A 23 16.769 4.055 -3.316 1.00 0.00 C ATOM 310 C CYS A 23 18.267 4.183 -3.575 1.00 0.00 C ATOM 311 O CYS A 23 18.727 5.169 -4.152 1.00 0.00 O ATOM 312 CB CYS A 23 15.994 4.281 -4.616 1.00 0.00 C ATOM 313 SG CYS A 23 14.213 4.578 -4.378 1.00 0.00 S ATOM 0 H CYS A 23 16.194 5.955 -2.639 1.00 0.00 H new ATOM 0 HA CYS A 23 16.567 3.048 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.426 5.133 -5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.123 3.411 -5.260 1.00 0.00 H new ATOM 318 N LYS A 24 19.024 3.180 -3.144 1.00 0.00 N ATOM 319 CA LYS A 24 20.470 3.177 -3.330 1.00 0.00 C ATOM 320 C LYS A 24 20.914 1.959 -4.133 1.00 0.00 C ATOM 321 O LYS A 24 20.154 1.005 -4.303 1.00 0.00 O ATOM 322 CB LYS A 24 21.179 3.192 -1.973 1.00 0.00 C ATOM 323 CG LYS A 24 20.429 3.966 -0.903 1.00 0.00 C ATOM 324 CD LYS A 24 19.488 3.066 -0.120 1.00 0.00 C ATOM 325 CE LYS A 24 18.871 3.799 1.062 1.00 0.00 C ATOM 326 NZ LYS A 24 19.828 3.930 2.195 1.00 0.00 N ATOM 0 H LYS A 24 18.660 2.358 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 24 20.741 4.075 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.320 2.165 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.171 3.627 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.142 4.430 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.861 4.772 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.698 2.704 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.032 2.191 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.546 4.790 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.982 3.264 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.477 3.387 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.758 3.563 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.918 4.932 2.459 1.00 0.00 H new ATOM 340 N TYR A 25 22.147 1.997 -4.625 1.00 0.00 N ATOM 341 CA TYR A 25 22.691 0.897 -5.412 1.00 0.00 C ATOM 342 C TYR A 25 23.178 -0.231 -4.507 1.00 0.00 C ATOM 343 O TYR A 25 23.931 -0.002 -3.560 1.00 0.00 O ATOM 344 CB TYR A 25 23.840 1.391 -6.293 1.00 0.00 C ATOM 345 CG TYR A 25 24.495 0.296 -7.103 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.552 -0.442 -6.585 1.00 0.00 C ATOM 347 CD2 TYR A 25 24.057 -0.002 -8.388 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.155 -1.442 -7.322 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.652 -1.002 -9.132 1.00 0.00 C ATOM 350 CZ TYR A 25 25.701 -1.719 -8.595 1.00 0.00 C ATOM 351 OH TYR A 25 26.297 -2.716 -9.332 1.00 0.00 O ATOM 0 H TYR A 25 22.789 2.778 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 25 21.895 0.511 -6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.464 2.157 -6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.592 1.865 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.908 -0.230 -5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.237 0.558 -8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.977 -2.004 -6.904 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.298 -1.221 -10.128 1.00 0.00 H new ATOM 0 HH TYR A 25 25.858 -2.784 -10.206 1.00 0.00 H new ATOM 361 N SER A 26 22.742 -1.451 -4.806 1.00 0.00 N ATOM 362 CA SER A 26 23.130 -2.615 -4.019 1.00 0.00 C ATOM 363 C SER A 26 24.118 -3.486 -4.789 1.00 0.00 C ATOM 364 O SER A 26 23.723 -4.324 -5.601 1.00 0.00 O ATOM 365 CB SER A 26 21.896 -3.436 -3.642 1.00 0.00 C ATOM 366 OG SER A 26 21.354 -3.003 -2.406 1.00 0.00 O ATOM 0 H SER A 26 22.120 -1.658 -5.587 1.00 0.00 H new ATOM 0 HA SER A 26 23.615 -2.262 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.143 -3.346 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.163 -4.491 -3.576 1.00 0.00 H new ATOM 0 HG SER A 26 21.065 -3.781 -1.885 1.00 0.00 H new ATOM 372 N ILE A 27 25.405 -3.282 -4.528 1.00 0.00 N ATOM 373 CA ILE A 27 26.450 -4.049 -5.195 1.00 0.00 C ATOM 374 C ILE A 27 26.203 -5.548 -5.060 1.00 0.00 C ATOM 375 O ILE A 27 26.274 -6.291 -6.039 1.00 0.00 O ATOM 376 CB ILE A 27 27.842 -3.716 -4.627 1.00 0.00 C ATOM 377 CG1 ILE A 27 27.996 -2.204 -4.449 1.00 0.00 C ATOM 378 CG2 ILE A 27 28.931 -4.261 -5.539 1.00 0.00 C ATOM 379 CD1 ILE A 27 27.895 -1.752 -3.009 1.00 0.00 C ATOM 0 H ILE A 27 25.749 -2.592 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 27 26.421 -3.772 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 27 27.942 -4.190 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 27 28.961 -1.895 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.229 -1.697 -5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 27 29.909 -4.017 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.830 -5.343 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.835 -3.813 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.013 -0.670 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 27 26.920 -2.030 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.679 -2.231 -2.422 1.00 0.00 H new ATOM 391 N LYS A 28 25.911 -5.986 -3.840 1.00 0.00 N ATOM 392 CA LYS A 28 25.650 -7.396 -3.575 1.00 0.00 C ATOM 393 C LYS A 28 24.500 -7.907 -4.436 1.00 0.00 C ATOM 394 O LYS A 28 24.460 -9.082 -4.802 1.00 0.00 O ATOM 395 CB LYS A 28 25.326 -7.606 -2.094 1.00 0.00 C ATOM 396 CG LYS A 28 24.203 -6.719 -1.586 1.00 0.00 C ATOM 397 CD LYS A 28 24.742 -5.513 -0.835 1.00 0.00 C ATOM 398 CE LYS A 28 23.827 -5.118 0.314 1.00 0.00 C ATOM 399 NZ LYS A 28 24.312 -3.895 1.014 1.00 0.00 N ATOM 0 H LYS A 28 25.849 -5.384 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 28 26.548 -7.960 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.054 -8.649 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.223 -7.416 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.595 -6.384 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 28 23.551 -7.296 -0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.736 -5.738 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.849 -4.673 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.821 -4.944 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.761 -5.941 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.662 -3.658 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.262 -4.069 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.351 -3.103 0.342 1.00 0.00 H new ATOM 413 N ARG A 29 23.566 -7.018 -4.757 1.00 0.00 N ATOM 414 CA ARG A 29 22.415 -7.380 -5.575 1.00 0.00 C ATOM 415 C ARG A 29 22.632 -6.972 -7.029 1.00 0.00 C ATOM 416 O ARG A 29 21.743 -7.124 -7.866 1.00 0.00 O ATOM 417 CB ARG A 29 21.148 -6.717 -5.032 1.00 0.00 C ATOM 418 CG ARG A 29 20.775 -7.172 -3.630 1.00 0.00 C ATOM 419 CD ARG A 29 19.406 -7.834 -3.605 1.00 0.00 C ATOM 420 NE ARG A 29 19.342 -8.923 -2.634 1.00 0.00 N ATOM 421 CZ ARG A 29 18.425 -9.883 -2.665 1.00 0.00 C ATOM 422 NH1 ARG A 29 17.499 -9.889 -3.614 1.00 0.00 N ATOM 423 NH2 ARG A 29 18.432 -10.839 -1.745 1.00 0.00 N ATOM 0 H ARG A 29 23.584 -6.041 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 29 22.297 -8.463 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.287 -5.636 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.319 -6.930 -5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.525 -7.871 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 29 20.779 -6.316 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.648 -7.089 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.171 -8.219 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 29 20.040 -8.948 -1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.490 -9.155 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.796 -10.627 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.142 -10.837 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.727 -11.576 -1.770 1.00 0.00 H new ATOM 437 N ASN A 30 23.820 -6.452 -7.322 1.00 0.00 N ATOM 438 CA ASN A 30 24.153 -6.021 -8.675 1.00 0.00 C ATOM 439 C ASN A 30 22.990 -5.263 -9.306 1.00 0.00 C ATOM 440 O ASN A 30 22.771 -5.334 -10.517 1.00 0.00 O ATOM 441 CB ASN A 30 24.520 -7.228 -9.541 1.00 0.00 C ATOM 442 CG ASN A 30 23.362 -8.193 -9.709 1.00 0.00 C ATOM 443 OD1 ASN A 30 23.134 -9.059 -8.865 1.00 0.00 O ATOM 444 ND2 ASN A 30 22.624 -8.046 -10.803 1.00 0.00 N ATOM 0 H ASN A 30 24.568 -6.319 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 30 25.010 -5.351 -8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.846 -6.882 -10.522 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.363 -7.752 -9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.831 -8.665 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.850 -7.314 -11.476 1.00 0.00 H new ATOM 451 N LEU A 31 22.246 -4.536 -8.480 1.00 0.00 N ATOM 452 CA LEU A 31 21.104 -3.763 -8.956 1.00 0.00 C ATOM 453 C LEU A 31 20.842 -2.565 -8.050 1.00 0.00 C ATOM 454 O LEU A 31 21.650 -2.241 -7.180 1.00 0.00 O ATOM 455 CB LEU A 31 19.858 -4.647 -9.026 1.00 0.00 C ATOM 456 CG LEU A 31 19.928 -5.831 -9.992 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.767 -6.784 -9.753 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.933 -5.344 -11.433 1.00 0.00 C ATOM 0 H LEU A 31 22.413 -4.466 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 31 21.337 -3.395 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.653 -5.031 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.010 -4.023 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 31 20.857 -6.370 -9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.833 -7.620 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.809 -7.159 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.826 -6.257 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.983 -6.200 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.021 -4.781 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.799 -4.702 -11.597 1.00 0.00 H new ATOM 470 N LYS A 32 19.705 -1.910 -8.259 1.00 0.00 N ATOM 471 CA LYS A 32 19.332 -0.749 -7.459 1.00 0.00 C ATOM 472 C LYS A 32 18.058 -1.021 -6.666 1.00 0.00 C ATOM 473 O LYS A 32 16.978 -1.170 -7.239 1.00 0.00 O ATOM 474 CB LYS A 32 19.134 0.473 -8.358 1.00 0.00 C ATOM 475 CG LYS A 32 20.371 0.848 -9.156 1.00 0.00 C ATOM 476 CD LYS A 32 20.417 0.121 -10.489 1.00 0.00 C ATOM 477 CE LYS A 32 21.106 0.956 -11.557 1.00 0.00 C ATOM 478 NZ LYS A 32 20.379 0.905 -12.856 1.00 0.00 N ATOM 0 H LYS A 32 19.025 -2.164 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 32 20.141 -0.549 -6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.313 0.277 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.838 1.322 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.382 1.924 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.264 0.608 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.944 -0.826 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.403 -0.117 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.176 1.990 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.126 0.597 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.880 1.487 -13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.334 -0.079 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.414 1.271 -12.728 1.00 0.00 H new ATOM 492 N ILE A 33 18.190 -1.083 -5.345 1.00 0.00 N ATOM 493 CA ILE A 33 17.049 -1.335 -4.474 1.00 0.00 C ATOM 494 C ILE A 33 17.059 -0.399 -3.270 1.00 0.00 C ATOM 495 O ILE A 33 18.015 0.348 -3.059 1.00 0.00 O ATOM 496 CB ILE A 33 17.031 -2.792 -3.977 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.045 -2.981 -2.846 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.325 -3.747 -5.124 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.250 -4.427 -2.454 1.00 0.00 C ATOM 0 H ILE A 33 19.076 -0.962 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 33 16.153 -1.151 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 33 16.037 -3.016 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.001 -2.557 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.712 -2.420 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.309 -4.773 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.569 -3.627 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.308 -3.526 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 33 18.981 -4.485 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.304 -4.850 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.613 -4.989 -3.314 1.00 0.00 H new ATOM 511 N CYS A 34 15.990 -0.445 -2.483 1.00 0.00 N ATOM 512 CA CYS A 34 15.875 0.397 -1.298 1.00 0.00 C ATOM 513 C CYS A 34 16.616 -0.222 -0.116 1.00 0.00 C ATOM 514 O CYS A 34 16.878 -1.424 -0.095 1.00 0.00 O ATOM 515 CB CYS A 34 14.403 0.609 -0.938 1.00 0.00 C ATOM 516 SG CYS A 34 13.514 1.726 -2.069 1.00 0.00 S ATOM 0 H CYS A 34 15.190 -1.057 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 34 16.329 1.362 -1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.899 -0.358 -0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.342 1.010 0.074 1.00 0.00 H new ATOM 521 N VAL A 35 16.949 0.608 0.867 1.00 0.00 N ATOM 522 CA VAL A 35 17.658 0.143 2.053 1.00 0.00 C ATOM 523 C VAL A 35 17.229 0.923 3.291 1.00 0.00 C ATOM 524 O VAL A 35 17.721 2.022 3.546 1.00 0.00 O ATOM 525 CB VAL A 35 19.183 0.272 1.882 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.909 -0.397 3.039 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.622 -0.322 0.552 1.00 0.00 C ATOM 0 H VAL A 35 16.739 1.606 0.866 1.00 0.00 H new ATOM 0 HA VAL A 35 17.402 -0.909 2.183 1.00 0.00 H new ATOM 0 HB VAL A 35 19.443 1.331 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.985 -0.296 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.617 0.079 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.645 -1.454 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.702 -0.222 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.350 -1.377 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.129 0.207 -0.263 1.00 0.00 H new TER 537 VAL A 35