USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 267 hydrogens (7 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 NoAdj-H: 1 1 PCA H1 : 1 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: 1 1 PCA H3 : 1 1 PCA N : cyclic :(NH2R) USER MOD Single : 1 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 4 THR OG1 : rot -59:sc= 1.17 USER MOD Single : 1 5 ASN : amide:sc= 0.707 K(o=0.71,f=-5.3!) USER MOD Single : 1 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.112) USER MOD Single : 1 7 LYS NZ :NH3+ -162:sc= -0.04 (180deg=-0.338) USER MOD Single : 1 9 GLN : amide:sc= -0.0689 K(o=-0.069,f=-1.1) USER MOD Single : 1 12 SER OG : rot 180:sc= -0.0116 USER MOD Single : 1 15 SER OG : rot 180:sc= 0.457 USER MOD Single : 1 19 LYS NZ :NH3+ 165:sc= -0.0295 (180deg=-0.252) USER MOD Single : 1 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 30 ASN : amide:sc= -0.0132 K(o=-0.013,f=-0.97) USER MOD Single : 1 36 TYR OH : rot 0:sc= -0.397 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA 1 1 0.441 -11.010 -0.183 1.00 0.00 N HETATM 2 CA PCA 1 1 0.194 -9.562 -0.320 1.00 0.00 C HETATM 3 CB PCA 1 1 -0.983 -9.350 -1.277 1.00 0.00 C HETATM 4 CG PCA 1 1 -1.295 -10.721 -1.792 1.00 0.00 C HETATM 5 CD PCA 1 1 -0.362 -11.633 -1.019 1.00 0.00 C HETATM 6 OE PCA 1 1 -0.170 -12.797 -1.384 1.00 0.00 O HETATM 7 C PCA 1 1 -0.107 -8.943 1.037 1.00 0.00 C HETATM 8 O PCA 1 1 -0.907 -9.475 1.805 1.00 0.00 O HETATM 0 H2 PCA 1 1 0.645 -11.417 -1.118 1.00 0.00 H new HETATM 0 HA PCA 1 1 1.084 -9.076 -0.721 1.00 0.00 H new HETATM 0 HB2 PCA 1 1 -1.840 -8.914 -0.763 1.00 0.00 H new HETATM 0 HB3 PCA 1 1 -0.719 -8.671 -2.088 1.00 0.00 H new HETATM 0 HG2 PCA 1 1 -2.339 -10.982 -1.620 1.00 0.00 H new HETATM 0 HG3 PCA 1 1 -1.121 -10.792 -2.866 1.00 0.00 H new ATOM 16 N ILE 1 2 0.532 -7.818 1.331 1.00 0.00 N ATOM 17 CA ILE 1 2 0.368 -7.172 2.625 1.00 0.00 C ATOM 18 C ILE 1 2 -0.691 -6.083 2.547 1.00 0.00 C ATOM 19 O ILE 1 2 -0.401 -4.935 2.210 1.00 0.00 O ATOM 20 CB ILE 1 2 1.691 -6.561 3.135 1.00 0.00 C ATOM 21 CG1 ILE 1 2 2.819 -7.597 3.091 1.00 0.00 C ATOM 22 CG2 ILE 1 2 1.516 -6.027 4.552 1.00 0.00 C ATOM 23 CD1 ILE 1 2 2.542 -8.843 3.904 1.00 0.00 C ATOM 0 H ILE 1 2 1.166 -7.336 0.693 1.00 0.00 H new ATOM 0 HA ILE 1 2 0.053 -7.942 3.329 1.00 0.00 H new ATOM 0 HB ILE 1 2 1.961 -5.733 2.480 1.00 0.00 H new ATOM 0 HG12 ILE 1 2 2.995 -7.884 2.054 1.00 0.00 H new ATOM 0 HG13 ILE 1 2 3.737 -7.135 3.454 1.00 0.00 H new ATOM 0 HG21 ILE 1 2 2.457 -5.599 4.898 1.00 0.00 H new ATOM 0 HG22 ILE 1 2 0.744 -5.258 4.558 1.00 0.00 H new ATOM 0 HG23 ILE 1 2 1.222 -6.842 5.214 1.00 0.00 H new ATOM 0 HD11 ILE 1 2 3.387 -9.527 3.822 1.00 0.00 H new ATOM 0 HD12 ILE 1 2 2.396 -8.570 4.949 1.00 0.00 H new ATOM 0 HD13 ILE 1 2 1.643 -9.331 3.528 1.00 0.00 H new ATOM 35 N GLU 1 3 -1.920 -6.462 2.840 1.00 0.00 N ATOM 36 CA GLU 1 3 -3.044 -5.538 2.811 1.00 0.00 C ATOM 37 C GLU 1 3 -3.110 -4.727 4.100 1.00 0.00 C ATOM 38 O GLU 1 3 -3.710 -5.159 5.086 1.00 0.00 O ATOM 39 CB GLU 1 3 -4.342 -6.316 2.619 1.00 0.00 C ATOM 40 CG GLU 1 3 -4.340 -7.202 1.387 1.00 0.00 C ATOM 41 CD GLU 1 3 -5.496 -8.173 1.376 1.00 0.00 C ATOM 42 OE1 GLU 1 3 -5.374 -9.252 1.996 1.00 0.00 O ATOM 43 OE2 GLU 1 3 -6.532 -7.865 0.755 1.00 0.00 O1- ATOM 0 H GLU 1 3 -2.170 -7.415 3.104 1.00 0.00 H new ATOM 0 HA GLU 1 3 -2.907 -4.848 1.978 1.00 0.00 H new ATOM 0 HB2 GLU 1 3 -4.520 -6.933 3.500 1.00 0.00 H new ATOM 0 HB3 GLU 1 3 -5.171 -5.612 2.549 1.00 0.00 H new ATOM 0 HG2 GLU 1 3 -4.384 -6.578 0.494 1.00 0.00 H new ATOM 0 HG3 GLU 1 3 -3.403 -7.756 1.343 1.00 0.00 H new ATOM 50 N THR 1 4 -2.492 -3.558 4.090 1.00 0.00 N ATOM 51 CA THR 1 4 -2.507 -2.682 5.250 1.00 0.00 C ATOM 52 C THR 1 4 -3.751 -1.802 5.226 1.00 0.00 C ATOM 53 O THR 1 4 -4.214 -1.399 4.156 1.00 0.00 O ATOM 54 CB THR 1 4 -1.247 -1.790 5.304 1.00 0.00 C ATOM 55 OG1 THR 1 4 -1.184 -0.939 4.152 1.00 0.00 O ATOM 56 CG2 THR 1 4 0.013 -2.638 5.374 1.00 0.00 C ATOM 0 H THR 1 4 -1.973 -3.193 3.291 1.00 0.00 H new ATOM 0 HA THR 1 4 -2.518 -3.313 6.139 1.00 0.00 H new ATOM 0 HB THR 1 4 -1.312 -1.176 6.202 1.00 0.00 H new ATOM 0 HG1 THR 1 4 -1.168 -1.488 3.340 1.00 0.00 H new ATOM 0 HG21 THR 1 4 0.887 -1.988 5.411 1.00 0.00 H new ATOM 0 HG22 THR 1 4 -0.016 -3.259 6.269 1.00 0.00 H new ATOM 0 HG23 THR 1 4 0.072 -3.275 4.492 1.00 0.00 H new ATOM 64 N ASN 1 5 -4.290 -1.502 6.399 1.00 0.00 N ATOM 65 CA ASN 1 5 -5.494 -0.686 6.499 1.00 0.00 C ATOM 66 C ASN 1 5 -5.133 0.799 6.445 1.00 0.00 C ATOM 67 O ASN 1 5 -5.504 1.588 7.315 1.00 0.00 O ATOM 68 CB ASN 1 5 -6.257 -1.012 7.787 1.00 0.00 C ATOM 69 CG ASN 1 5 -7.619 -0.341 7.855 1.00 0.00 C ATOM 70 OD1 ASN 1 5 -8.269 -0.107 6.833 1.00 0.00 O ATOM 71 ND2 ASN 1 5 -8.060 -0.028 9.061 1.00 0.00 N ATOM 0 H ASN 1 5 -3.914 -1.811 7.295 1.00 0.00 H new ATOM 0 HA ASN 1 5 -6.142 -0.914 5.653 1.00 0.00 H new ATOM 0 HB2 ASN 1 5 -6.386 -2.092 7.863 1.00 0.00 H new ATOM 0 HB3 ASN 1 5 -5.661 -0.700 8.645 1.00 0.00 H new ATOM 0 HD21 ASN 1 5 -8.968 0.424 9.171 1.00 0.00 H new ATOM 0 HD22 ASN 1 5 -7.492 -0.238 9.882 1.00 0.00 H new ATOM 78 N LYS 1 6 -4.383 1.163 5.420 1.00 0.00 N ATOM 79 CA LYS 1 6 -4.000 2.547 5.197 1.00 0.00 C ATOM 80 C LYS 1 6 -4.803 3.110 4.037 1.00 0.00 C ATOM 81 O LYS 1 6 -5.304 2.354 3.207 1.00 0.00 O ATOM 82 CB LYS 1 6 -2.507 2.646 4.879 1.00 0.00 C ATOM 83 CG LYS 1 6 -1.602 2.100 5.968 1.00 0.00 C ATOM 84 CD LYS 1 6 -0.139 2.229 5.575 1.00 0.00 C ATOM 85 CE LYS 1 6 0.782 1.628 6.623 1.00 0.00 C ATOM 86 NZ LYS 1 6 0.659 2.312 7.938 1.00 0.00 N1+ ATOM 0 H LYS 1 6 -4.024 0.512 4.722 1.00 0.00 H new ATOM 0 HA LYS 1 6 -4.203 3.119 6.102 1.00 0.00 H new ATOM 0 HB2 LYS 1 6 -2.308 2.107 3.953 1.00 0.00 H new ATOM 0 HB3 LYS 1 6 -2.253 3.691 4.701 1.00 0.00 H new ATOM 0 HG2 LYS 1 6 -1.781 2.638 6.899 1.00 0.00 H new ATOM 0 HG3 LYS 1 6 -1.841 1.053 6.154 1.00 0.00 H new ATOM 0 HD2 LYS 1 6 0.026 1.732 4.619 1.00 0.00 H new ATOM 0 HD3 LYS 1 6 0.108 3.281 5.434 1.00 0.00 H new ATOM 0 HE2 LYS 1 6 0.551 0.570 6.743 1.00 0.00 H new ATOM 0 HE3 LYS 1 6 1.814 1.692 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS 1 6 1.408 1.974 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS 1 6 0.754 3.339 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS 1 6 -0.271 2.101 8.353 1.00 0.00 H new ATOM 100 N LYS 1 7 -4.931 4.426 3.982 1.00 0.00 N ATOM 101 CA LYS 1 7 -5.644 5.066 2.887 1.00 0.00 C ATOM 102 C LYS 1 7 -4.730 5.210 1.674 1.00 0.00 C ATOM 103 O LYS 1 7 -3.524 5.425 1.816 1.00 0.00 O ATOM 104 CB LYS 1 7 -6.224 6.425 3.328 1.00 0.00 C ATOM 105 CG LYS 1 7 -5.243 7.374 4.016 1.00 0.00 C ATOM 106 CD LYS 1 7 -4.286 8.036 3.036 1.00 0.00 C ATOM 107 CE LYS 1 7 -3.444 9.107 3.711 1.00 0.00 C ATOM 108 NZ LYS 1 7 -4.275 10.237 4.205 1.00 0.00 N1+ ATOM 0 H LYS 1 7 -4.553 5.069 4.678 1.00 0.00 H new ATOM 0 HA LYS 1 7 -6.485 4.434 2.600 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 -6.631 6.927 2.450 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 -7.058 6.241 4.005 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 -5.801 8.144 4.550 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 -4.670 6.821 4.761 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 -3.633 7.281 2.599 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 -4.852 8.480 2.218 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 -2.897 8.667 4.545 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 -2.702 9.483 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 -3.669 11.065 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 -4.995 10.476 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 -4.743 9.962 5.092 1.00 0.00 H new ATOM 122 N CYS 1 8 -5.308 5.066 0.490 1.00 0.00 N ATOM 123 CA CYS 1 8 -4.546 5.126 -0.749 1.00 0.00 C ATOM 124 C CYS 1 8 -4.012 6.529 -0.984 1.00 0.00 C ATOM 125 O CYS 1 8 -4.625 7.518 -0.576 1.00 0.00 O ATOM 126 CB CYS 1 8 -5.419 4.702 -1.929 1.00 0.00 C ATOM 127 SG CYS 1 8 -6.413 3.210 -1.604 1.00 0.00 S ATOM 0 H CYS 1 8 -6.307 4.906 0.361 1.00 0.00 H new ATOM 0 HA CYS 1 8 -3.703 4.440 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS 1 8 -6.087 5.523 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS 1 8 -4.782 4.522 -2.795 1.00 0.00 H new ATOM 132 N GLN 1 9 -2.876 6.613 -1.653 1.00 0.00 N ATOM 133 CA GLN 1 9 -2.242 7.889 -1.911 1.00 0.00 C ATOM 134 C GLN 1 9 -2.629 8.374 -3.302 1.00 0.00 C ATOM 135 O GLN 1 9 -1.829 8.338 -4.239 1.00 0.00 O ATOM 136 CB GLN 1 9 -0.728 7.745 -1.779 1.00 0.00 C ATOM 137 CG GLN 1 9 0.015 9.064 -1.700 1.00 0.00 C ATOM 138 CD GLN 1 9 1.502 8.866 -1.503 1.00 0.00 C ATOM 139 OE1 GLN 1 9 2.262 8.777 -2.467 1.00 0.00 O ATOM 140 NE2 GLN 1 9 1.928 8.785 -0.257 1.00 0.00 N ATOM 0 H GLN 1 9 -2.374 5.808 -2.028 1.00 0.00 H new ATOM 0 HA GLN 1 9 -2.579 8.627 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN 1 9 -0.506 7.161 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN 1 9 -0.352 7.179 -2.631 1.00 0.00 H new ATOM 0 HG2 GLN 1 9 -0.157 9.632 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN 1 9 -0.384 9.656 -0.877 1.00 0.00 H new ATOM 0 HE21 GLN 1 9 1.266 8.864 0.515 1.00 0.00 H new ATOM 0 HE22 GLN 1 9 2.920 8.644 -0.065 1.00 0.00 H new ATOM 149 N GLY 1 10 -3.878 8.793 -3.431 1.00 0.00 N ATOM 150 CA GLY 1 10 -4.390 9.224 -4.713 1.00 0.00 C ATOM 151 C GLY 1 10 -5.107 8.101 -5.432 1.00 0.00 C ATOM 152 O GLY 1 10 -6.338 8.041 -5.437 1.00 0.00 O ATOM 0 H GLY 1 10 -4.550 8.842 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 -5.074 10.061 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 -3.568 9.586 -5.331 1.00 0.00 H new ATOM 156 N GLY 1 11 -4.336 7.203 -6.023 1.00 0.00 N ATOM 157 CA GLY 1 11 -4.914 6.072 -6.726 1.00 0.00 C ATOM 158 C GLY 1 11 -4.200 4.765 -6.430 1.00 0.00 C ATOM 159 O GLY 1 11 -4.719 3.688 -6.722 1.00 0.00 O ATOM 0 H GLY 1 11 -3.317 7.235 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY 1 11 -5.964 5.977 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY 1 11 -4.882 6.263 -7.799 1.00 0.00 H new ATOM 163 N SER 1 12 -3.008 4.851 -5.860 1.00 0.00 N ATOM 164 CA SER 1 12 -2.227 3.671 -5.538 1.00 0.00 C ATOM 165 C SER 1 12 -1.461 3.888 -4.244 1.00 0.00 C ATOM 166 O SER 1 12 -1.594 4.930 -3.601 1.00 0.00 O ATOM 167 CB SER 1 12 -1.262 3.363 -6.678 1.00 0.00 C ATOM 168 OG SER 1 12 -1.949 3.300 -7.918 1.00 0.00 O ATOM 0 H SER 1 12 -2.560 5.733 -5.610 1.00 0.00 H new ATOM 0 HA SER 1 12 -2.900 2.824 -5.406 1.00 0.00 H new ATOM 0 HB2 SER 1 12 -0.490 4.131 -6.724 1.00 0.00 H new ATOM 0 HB3 SER 1 12 -0.758 2.415 -6.488 1.00 0.00 H new ATOM 0 HG SER 1 12 -1.311 3.103 -8.636 1.00 0.00 H new ATOM 174 N CYS 1 13 -0.670 2.901 -3.865 1.00 0.00 N ATOM 175 CA CYS 1 13 0.075 2.958 -2.621 1.00 0.00 C ATOM 176 C CYS 1 13 1.513 2.509 -2.836 1.00 0.00 C ATOM 177 O CYS 1 13 2.170 2.019 -1.918 1.00 0.00 O ATOM 178 CB CYS 1 13 -0.615 2.084 -1.576 1.00 0.00 C ATOM 179 SG CYS 1 13 -2.289 2.657 -1.141 1.00 0.00 S ATOM 0 H CYS 1 13 -0.527 2.047 -4.404 1.00 0.00 H new ATOM 0 HA CYS 1 13 0.098 3.988 -2.264 1.00 0.00 H new ATOM 0 HB2 CYS 1 13 -0.675 1.062 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS 1 13 -0.003 2.057 -0.675 1.00 0.00 H new ATOM 184 N ALA 1 14 1.997 2.693 -4.058 1.00 0.00 N ATOM 185 CA ALA 1 14 3.348 2.282 -4.418 1.00 0.00 C ATOM 186 C ALA 1 14 4.396 3.049 -3.617 1.00 0.00 C ATOM 187 O ALA 1 14 5.319 2.456 -3.060 1.00 0.00 O ATOM 188 CB ALA 1 14 3.575 2.472 -5.908 1.00 0.00 C ATOM 0 H ALA 1 14 1.472 3.125 -4.818 1.00 0.00 H new ATOM 0 HA ALA 1 14 3.454 1.225 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA 1 14 4.588 2.161 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA 1 14 2.858 1.868 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA 1 14 3.442 3.523 -6.165 1.00 0.00 H new ATOM 194 N SER 1 15 4.237 4.366 -3.545 1.00 0.00 N ATOM 195 CA SER 1 15 5.171 5.208 -2.811 1.00 0.00 C ATOM 196 C SER 1 15 5.019 4.976 -1.308 1.00 0.00 C ATOM 197 O SER 1 15 5.986 5.088 -0.549 1.00 0.00 O ATOM 198 CB SER 1 15 4.942 6.685 -3.152 1.00 0.00 C ATOM 199 OG SER 1 15 5.966 7.505 -2.613 1.00 0.00 O ATOM 0 H SER 1 15 3.470 4.872 -3.986 1.00 0.00 H new ATOM 0 HA SER 1 15 6.187 4.942 -3.104 1.00 0.00 H new ATOM 0 HB2 SER 1 15 4.906 6.809 -4.234 1.00 0.00 H new ATOM 0 HB3 SER 1 15 3.975 7.004 -2.763 1.00 0.00 H new ATOM 0 HG SER 1 15 5.794 8.441 -2.848 1.00 0.00 H new ATOM 205 N VAL 1 16 3.802 4.640 -0.889 1.00 0.00 N ATOM 206 CA VAL 1 16 3.533 4.305 0.505 1.00 0.00 C ATOM 207 C VAL 1 16 4.320 3.064 0.910 1.00 0.00 C ATOM 208 O VAL 1 16 5.080 3.082 1.876 1.00 0.00 O ATOM 209 CB VAL 1 16 2.025 4.057 0.747 1.00 0.00 C ATOM 210 CG1 VAL 1 16 1.767 3.612 2.181 1.00 0.00 C ATOM 211 CG2 VAL 1 16 1.220 5.306 0.424 1.00 0.00 C ATOM 0 H VAL 1 16 2.985 4.593 -1.497 1.00 0.00 H new ATOM 0 HA VAL 1 16 3.845 5.154 1.113 1.00 0.00 H new ATOM 0 HB VAL 1 16 1.704 3.255 0.082 1.00 0.00 H new ATOM 0 HG11 VAL 1 16 0.699 3.445 2.324 1.00 0.00 H new ATOM 0 HG12 VAL 1 16 2.309 2.687 2.378 1.00 0.00 H new ATOM 0 HG13 VAL 1 16 2.108 4.386 2.869 1.00 0.00 H new ATOM 0 HG21 VAL 1 16 0.162 5.113 0.600 1.00 0.00 H new ATOM 0 HG22 VAL 1 16 1.550 6.126 1.061 1.00 0.00 H new ATOM 0 HG23 VAL 1 16 1.370 5.576 -0.621 1.00 0.00 H new ATOM 221 N CYS 1 17 4.152 1.997 0.144 1.00 0.00 N ATOM 222 CA CYS 1 17 4.832 0.737 0.411 1.00 0.00 C ATOM 223 C CYS 1 17 6.338 0.878 0.235 1.00 0.00 C ATOM 224 O CYS 1 17 7.120 0.173 0.879 1.00 0.00 O ATOM 225 CB CYS 1 17 4.277 -0.346 -0.508 1.00 0.00 C ATOM 226 SG CYS 1 17 2.500 -0.651 -0.261 1.00 0.00 S ATOM 0 H CYS 1 17 3.545 1.979 -0.675 1.00 0.00 H new ATOM 0 HA CYS 1 17 4.650 0.452 1.447 1.00 0.00 H new ATOM 0 HB2 CYS 1 17 4.449 -0.057 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS 1 17 4.825 -1.273 -0.340 1.00 0.00 H new ATOM 231 N ARG 1 18 6.740 1.805 -0.627 1.00 0.00 N ATOM 232 CA ARG 1 18 8.148 2.097 -0.840 1.00 0.00 C ATOM 233 C ARG 1 18 8.765 2.666 0.434 1.00 0.00 C ATOM 234 O ARG 1 18 9.960 2.519 0.682 1.00 0.00 O ATOM 235 CB ARG 1 18 8.307 3.073 -2.010 1.00 0.00 C ATOM 236 CG ARG 1 18 9.750 3.401 -2.354 1.00 0.00 C ATOM 237 CD ARG 1 18 9.849 4.187 -3.652 1.00 0.00 C ATOM 238 NE ARG 1 18 9.059 5.416 -3.622 1.00 0.00 N ATOM 239 CZ ARG 1 18 8.750 6.129 -4.706 1.00 0.00 C ATOM 240 NH1 ARG 1 18 9.184 5.746 -5.903 1.00 0.00 N1+ ATOM 241 NH2 ARG 1 18 8.008 7.223 -4.594 1.00 0.00 N ATOM 0 H ARG 1 18 6.105 2.369 -1.192 1.00 0.00 H new ATOM 0 HA ARG 1 18 8.673 1.175 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 7.822 2.650 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 7.783 3.998 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 10.196 3.977 -1.544 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 10.323 2.478 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 10.893 4.434 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 9.512 3.562 -4.479 1.00 0.00 H new ATOM 0 HE ARG 1 18 8.724 5.749 -2.718 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 9.754 4.905 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 8.946 6.293 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 7.673 7.520 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 7.773 7.767 -5.424 1.00 0.00 H new ATOM 255 N LYS 1 19 7.931 3.300 1.244 1.00 0.00 N ATOM 256 CA LYS 1 19 8.359 3.836 2.525 1.00 0.00 C ATOM 257 C LYS 1 19 8.228 2.763 3.608 1.00 0.00 C ATOM 258 O LYS 1 19 9.148 2.555 4.400 1.00 0.00 O ATOM 259 CB LYS 1 19 7.518 5.078 2.870 1.00 0.00 C ATOM 260 CG LYS 1 19 8.010 5.882 4.071 1.00 0.00 C ATOM 261 CD LYS 1 19 7.624 5.242 5.393 1.00 0.00 C ATOM 262 CE LYS 1 19 8.039 6.103 6.574 1.00 0.00 C ATOM 263 NZ LYS 1 19 7.321 7.405 6.592 1.00 0.00 N1+ ATOM 0 H LYS 1 19 6.945 3.456 1.033 1.00 0.00 H new ATOM 0 HA LYS 1 19 9.406 4.133 2.468 1.00 0.00 H new ATOM 0 HB2 LYS 1 19 7.493 5.734 2.000 1.00 0.00 H new ATOM 0 HB3 LYS 1 19 6.492 4.761 3.060 1.00 0.00 H new ATOM 0 HG2 LYS 1 19 9.094 5.979 4.020 1.00 0.00 H new ATOM 0 HG3 LYS 1 19 7.597 6.890 4.024 1.00 0.00 H new ATOM 0 HD2 LYS 1 19 6.546 5.082 5.419 1.00 0.00 H new ATOM 0 HD3 LYS 1 19 8.094 4.262 5.474 1.00 0.00 H new ATOM 0 HE2 LYS 1 19 7.840 5.566 7.502 1.00 0.00 H new ATOM 0 HE3 LYS 1 19 9.113 6.282 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS 1 19 7.432 7.850 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS 1 19 7.717 8.030 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS 1 19 6.311 7.247 6.402 1.00 0.00 H new ATOM 277 N VAL 1 20 7.086 2.078 3.622 1.00 0.00 N ATOM 278 CA VAL 1 20 6.791 1.075 4.646 1.00 0.00 C ATOM 279 C VAL 1 20 7.790 -0.081 4.616 1.00 0.00 C ATOM 280 O VAL 1 20 8.491 -0.333 5.600 1.00 0.00 O ATOM 281 CB VAL 1 20 5.360 0.509 4.491 1.00 0.00 C ATOM 282 CG1 VAL 1 20 5.065 -0.521 5.573 1.00 0.00 C ATOM 283 CG2 VAL 1 20 4.332 1.628 4.531 1.00 0.00 C ATOM 0 H VAL 1 20 6.345 2.200 2.932 1.00 0.00 H new ATOM 0 HA VAL 1 20 6.873 1.586 5.605 1.00 0.00 H new ATOM 0 HB VAL 1 20 5.296 0.016 3.521 1.00 0.00 H new ATOM 0 HG11 VAL 1 20 4.053 -0.905 5.444 1.00 0.00 H new ATOM 0 HG12 VAL 1 20 5.777 -1.343 5.497 1.00 0.00 H new ATOM 0 HG13 VAL 1 20 5.153 -0.054 6.554 1.00 0.00 H new ATOM 0 HG21 VAL 1 20 3.332 1.208 4.420 1.00 0.00 H new ATOM 0 HG22 VAL 1 20 4.402 2.152 5.484 1.00 0.00 H new ATOM 0 HG23 VAL 1 20 4.524 2.327 3.717 1.00 0.00 H new ATOM 293 N ILE 1 21 7.857 -0.779 3.491 1.00 0.00 N ATOM 294 CA ILE 1 21 8.721 -1.947 3.380 1.00 0.00 C ATOM 295 C ILE 1 21 9.919 -1.678 2.474 1.00 0.00 C ATOM 296 O ILE 1 21 11.014 -2.185 2.720 1.00 0.00 O ATOM 297 CB ILE 1 21 7.952 -3.190 2.878 1.00 0.00 C ATOM 298 CG1 ILE 1 21 7.168 -2.871 1.602 1.00 0.00 C ATOM 299 CG2 ILE 1 21 7.022 -3.711 3.967 1.00 0.00 C ATOM 300 CD1 ILE 1 21 6.423 -4.058 1.035 1.00 0.00 C ATOM 0 H ILE 1 21 7.328 -0.559 2.647 1.00 0.00 H new ATOM 0 HA ILE 1 21 9.086 -2.154 4.386 1.00 0.00 H new ATOM 0 HB ILE 1 21 8.677 -3.968 2.639 1.00 0.00 H new ATOM 0 HG12 ILE 1 21 6.456 -2.073 1.813 1.00 0.00 H new ATOM 0 HG13 ILE 1 21 7.857 -2.492 0.848 1.00 0.00 H new ATOM 0 HG21 ILE 1 21 6.487 -4.587 3.600 1.00 0.00 H new ATOM 0 HG22 ILE 1 21 7.607 -3.985 4.845 1.00 0.00 H new ATOM 0 HG23 ILE 1 21 6.306 -2.934 4.236 1.00 0.00 H new ATOM 0 HD11 ILE 1 21 5.891 -3.757 0.133 1.00 0.00 H new ATOM 0 HD12 ILE 1 21 7.132 -4.850 0.791 1.00 0.00 H new ATOM 0 HD13 ILE 1 21 5.708 -4.425 1.772 1.00 0.00 H new ATOM 312 N GLY 1 22 9.722 -0.879 1.433 1.00 0.00 N ATOM 313 CA GLY 1 22 10.828 -0.536 0.562 1.00 0.00 C ATOM 314 C GLY 1 22 10.473 -0.611 -0.909 1.00 0.00 C ATOM 315 O GLY 1 22 10.888 0.244 -1.694 1.00 0.00 O ATOM 0 H GLY 1 22 8.825 -0.466 1.178 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.168 0.473 0.796 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.662 -1.208 0.763 1.00 0.00 H new ATOM 319 N VAL 1 23 9.701 -1.623 -1.287 1.00 0.00 N ATOM 320 CA VAL 1 23 9.349 -1.822 -2.688 1.00 0.00 C ATOM 321 C VAL 1 23 8.231 -0.881 -3.104 1.00 0.00 C ATOM 322 O VAL 1 23 7.348 -0.559 -2.312 1.00 0.00 O ATOM 323 CB VAL 1 23 8.919 -3.274 -2.990 1.00 0.00 C ATOM 324 CG1 VAL 1 23 10.029 -4.251 -2.640 1.00 0.00 C ATOM 325 CG2 VAL 1 23 7.639 -3.629 -2.254 1.00 0.00 C ATOM 0 H VAL 1 23 9.309 -2.315 -0.648 1.00 0.00 H new ATOM 0 HA VAL 1 23 10.251 -1.607 -3.261 1.00 0.00 H new ATOM 0 HB VAL 1 23 8.724 -3.349 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL 1 23 9.703 -5.267 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL 1 23 10.917 -4.019 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL 1 23 10.265 -4.169 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL 1 23 7.360 -4.657 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL 1 23 7.797 -3.528 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL 1 23 6.840 -2.957 -2.568 1.00 0.00 H new ATOM 335 N ALA 1 24 8.259 -0.464 -4.355 1.00 0.00 N ATOM 336 CA ALA 1 24 7.261 0.453 -4.873 1.00 0.00 C ATOM 337 C ALA 1 24 6.116 -0.317 -5.507 1.00 0.00 C ATOM 338 O ALA 1 24 5.619 0.036 -6.577 1.00 0.00 O ATOM 339 CB ALA 1 24 7.887 1.417 -5.871 1.00 0.00 C ATOM 0 H ALA 1 24 8.965 -0.747 -5.034 1.00 0.00 H new ATOM 0 HA ALA 1 24 6.862 1.038 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA 1 24 7.123 2.097 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA 1 24 8.672 1.991 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA 1 24 8.314 0.855 -6.701 1.00 0.00 H new ATOM 345 N ALA 1 25 5.710 -1.379 -4.836 1.00 0.00 N ATOM 346 CA ALA 1 25 4.606 -2.194 -5.289 1.00 0.00 C ATOM 347 C ALA 1 25 3.471 -2.127 -4.288 1.00 0.00 C ATOM 348 O ALA 1 25 3.563 -2.673 -3.186 1.00 0.00 O ATOM 349 CB ALA 1 25 5.050 -3.629 -5.500 1.00 0.00 C ATOM 0 H ALA 1 25 6.136 -1.697 -3.966 1.00 0.00 H new ATOM 0 HA ALA 1 25 4.254 -1.807 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA 1 25 4.204 -4.225 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA 1 25 5.840 -3.659 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA 1 25 5.425 -4.036 -4.561 1.00 0.00 H new ATOM 355 N GLY 1 26 2.415 -1.444 -4.672 1.00 0.00 N ATOM 356 CA GLY 1 26 1.284 -1.256 -3.791 1.00 0.00 C ATOM 357 C GLY 1 26 0.113 -0.615 -4.503 1.00 0.00 C ATOM 358 O GLY 1 26 0.266 0.406 -5.175 1.00 0.00 O ATOM 0 H GLY 1 26 2.316 -1.009 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 0.978 -2.219 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 1.581 -0.633 -2.947 1.00 0.00 H new ATOM 362 N LYS 1 27 -1.060 -1.197 -4.340 1.00 0.00 N ATOM 363 CA LYS 1 27 -2.238 -0.764 -5.076 1.00 0.00 C ATOM 364 C LYS 1 27 -3.388 -0.443 -4.132 1.00 0.00 C ATOM 365 O LYS 1 27 -3.355 -0.798 -2.952 1.00 0.00 O ATOM 366 CB LYS 1 27 -2.652 -1.841 -6.078 1.00 0.00 C ATOM 367 CG LYS 1 27 -1.709 -1.959 -7.268 1.00 0.00 C ATOM 368 CD LYS 1 27 -2.036 -3.164 -8.136 1.00 0.00 C ATOM 369 CE LYS 1 27 -3.435 -3.075 -8.720 1.00 0.00 C ATOM 370 NZ LYS 1 27 -3.768 -4.260 -9.553 1.00 0.00 N1+ ATOM 0 H LYS 1 27 -1.225 -1.975 -3.701 1.00 0.00 H new ATOM 0 HA LYS 1 27 -1.988 0.148 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS 1 27 -2.701 -2.802 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS 1 27 -3.656 -1.622 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS 1 27 -1.769 -1.052 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS 1 27 -0.682 -2.037 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS 1 27 -1.309 -3.238 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS 1 27 -1.947 -4.074 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS 1 27 -4.160 -2.985 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS 1 27 -3.518 -2.172 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS 1 27 -4.731 -4.158 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS 1 27 -3.092 -4.332 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS 1 27 -3.714 -5.120 -8.971 1.00 0.00 H new ATOM 384 N CYS 1 28 -4.401 0.225 -4.668 1.00 0.00 N ATOM 385 CA CYS 1 28 -5.531 0.687 -3.877 1.00 0.00 C ATOM 386 C CYS 1 28 -6.692 -0.295 -3.960 1.00 0.00 C ATOM 387 O CYS 1 28 -7.527 -0.219 -4.865 1.00 0.00 O ATOM 388 CB CYS 1 28 -5.979 2.066 -4.365 1.00 0.00 C ATOM 389 SG CYS 1 28 -7.312 2.816 -3.376 1.00 0.00 S ATOM 0 H CYS 1 28 -4.462 0.460 -5.659 1.00 0.00 H new ATOM 0 HA CYS 1 28 -5.215 0.756 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -5.119 2.736 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -6.314 1.981 -5.399 1.00 0.00 H new ATOM 394 N ILE 1 29 -6.733 -1.227 -3.023 1.00 0.00 N ATOM 395 CA ILE 1 29 -7.811 -2.197 -2.955 1.00 0.00 C ATOM 396 C ILE 1 29 -8.757 -1.844 -1.812 1.00 0.00 C ATOM 397 O ILE 1 29 -8.345 -1.791 -0.653 1.00 0.00 O ATOM 398 CB ILE 1 29 -7.275 -3.643 -2.781 1.00 0.00 C ATOM 399 CG1 ILE 1 29 -6.811 -4.227 -4.123 1.00 0.00 C ATOM 400 CG2 ILE 1 29 -8.331 -4.551 -2.160 1.00 0.00 C ATOM 401 CD1 ILE 1 29 -5.682 -3.472 -4.790 1.00 0.00 C ATOM 0 H ILE 1 29 -6.027 -1.332 -2.295 1.00 0.00 H new ATOM 0 HA ILE 1 29 -8.353 -2.160 -3.900 1.00 0.00 H new ATOM 0 HB ILE 1 29 -6.419 -3.592 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE 1 29 -6.495 -5.258 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE 1 29 -7.662 -4.255 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE 1 29 -7.927 -5.557 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE 1 29 -8.613 -4.164 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE 1 29 -9.209 -4.581 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE 1 29 -5.424 -3.959 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE 1 29 -5.996 -2.447 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE 1 29 -4.811 -3.465 -4.134 1.00 0.00 H new ATOM 413 N ASN 1 30 -10.017 -1.580 -2.156 1.00 0.00 N ATOM 414 CA ASN 1 30 -11.049 -1.228 -1.186 1.00 0.00 C ATOM 415 C ASN 1 30 -10.665 0.003 -0.374 1.00 0.00 C ATOM 416 O ASN 1 30 -11.097 0.168 0.767 1.00 0.00 O ATOM 417 CB ASN 1 30 -11.334 -2.406 -0.256 1.00 0.00 C ATOM 418 CG ASN 1 30 -12.068 -3.537 -0.949 1.00 0.00 C ATOM 419 OD1 ASN 1 30 -12.867 -3.311 -1.859 1.00 0.00 O ATOM 420 ND2 ASN 1 30 -11.802 -4.763 -0.531 1.00 0.00 N ATOM 0 H ASN 1 30 -10.350 -1.605 -3.120 1.00 0.00 H new ATOM 0 HA ASN 1 30 -11.954 -0.989 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 -10.393 -2.782 0.146 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 -11.926 -2.059 0.591 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 -12.265 -5.562 -0.965 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 -11.134 -4.910 0.226 1.00 0.00 H new ATOM 427 N GLY 1 31 -9.855 0.867 -0.966 1.00 0.00 N ATOM 428 CA GLY 1 31 -9.432 2.070 -0.280 1.00 0.00 C ATOM 429 C GLY 1 31 -8.302 1.810 0.694 1.00 0.00 C ATOM 430 O GLY 1 31 -7.977 2.666 1.518 1.00 0.00 O ATOM 0 H GLY 1 31 -9.483 0.757 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY 1 31 -9.113 2.811 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY 1 31 -10.280 2.497 0.256 1.00 0.00 H new ATOM 434 N ARG 1 32 -7.713 0.624 0.607 1.00 0.00 N ATOM 435 CA ARG 1 32 -6.592 0.256 1.459 1.00 0.00 C ATOM 436 C ARG 1 32 -5.339 0.025 0.626 1.00 0.00 C ATOM 437 O ARG 1 32 -5.406 -0.123 -0.597 1.00 0.00 O ATOM 438 CB ARG 1 32 -6.909 -1.002 2.276 1.00 0.00 C ATOM 439 CG ARG 1 32 -7.702 -0.739 3.548 1.00 0.00 C ATOM 440 CD ARG 1 32 -9.122 -0.284 3.259 1.00 0.00 C ATOM 441 NE ARG 1 32 -9.870 -0.018 4.486 1.00 0.00 N ATOM 442 CZ ARG 1 32 -11.147 0.363 4.512 1.00 0.00 C ATOM 443 NH1 ARG 1 32 -11.812 0.543 3.377 1.00 0.00 N1+ ATOM 444 NH2 ARG 1 32 -11.759 0.562 5.671 1.00 0.00 N ATOM 0 H ARG 1 32 -7.996 -0.103 -0.050 1.00 0.00 H new ATOM 0 HA ARG 1 32 -6.415 1.082 2.148 1.00 0.00 H new ATOM 0 HB2 ARG 1 32 -7.469 -1.696 1.650 1.00 0.00 H new ATOM 0 HB3 ARG 1 32 -5.973 -1.495 2.540 1.00 0.00 H new ATOM 0 HG2 ARG 1 32 -7.729 -1.647 4.151 1.00 0.00 H new ATOM 0 HG3 ARG 1 32 -7.193 0.021 4.140 1.00 0.00 H new ATOM 0 HD2 ARG 1 32 -9.097 0.617 2.647 1.00 0.00 H new ATOM 0 HD3 ARG 1 32 -9.637 -1.049 2.679 1.00 0.00 H new ATOM 0 HE ARG 1 32 -9.385 -0.131 5.376 1.00 0.00 H new ATOM 0 HH11 ARG 1 32 -11.346 0.390 2.483 1.00 0.00 H new ATOM 0 HH12 ARG 1 32 -12.789 0.835 3.399 1.00 0.00 H new ATOM 0 HH21 ARG 1 32 -11.253 0.424 6.546 1.00 0.00 H new ATOM 0 HH22 ARG 1 32 -12.736 0.854 5.688 1.00 0.00 H new ATOM 458 N CYS 1 33 -4.203 -0.026 1.301 1.00 0.00 N ATOM 459 CA CYS 1 33 -2.919 -0.165 0.637 1.00 0.00 C ATOM 460 C CYS 1 33 -2.381 -1.580 0.773 1.00 0.00 C ATOM 461 O CYS 1 33 -1.935 -1.987 1.846 1.00 0.00 O ATOM 462 CB CYS 1 33 -1.910 0.826 1.220 1.00 0.00 C ATOM 463 SG CYS 1 33 -2.309 2.568 0.884 1.00 0.00 S ATOM 0 H CYS 1 33 -4.145 0.027 2.318 1.00 0.00 H new ATOM 0 HA CYS 1 33 -3.067 0.049 -0.422 1.00 0.00 H new ATOM 0 HB2 CYS 1 33 -1.852 0.678 2.298 1.00 0.00 H new ATOM 0 HB3 CYS 1 33 -0.923 0.605 0.815 1.00 0.00 H new ATOM 468 N VAL 1 34 -2.431 -2.333 -0.309 1.00 0.00 N ATOM 469 CA VAL 1 34 -1.841 -3.656 -0.321 1.00 0.00 C ATOM 470 C VAL 1 34 -0.451 -3.605 -0.940 1.00 0.00 C ATOM 471 O VAL 1 34 -0.287 -3.313 -2.126 1.00 0.00 O ATOM 472 CB VAL 1 34 -2.723 -4.689 -1.057 1.00 0.00 C ATOM 473 CG1 VAL 1 34 -3.149 -4.176 -2.418 1.00 0.00 C ATOM 474 CG2 VAL 1 34 -2.002 -6.021 -1.176 1.00 0.00 C ATOM 0 H VAL 1 34 -2.871 -2.053 -1.185 1.00 0.00 H new ATOM 0 HA VAL 1 34 -1.764 -3.985 0.715 1.00 0.00 H new ATOM 0 HB VAL 1 34 -3.626 -4.843 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL 1 34 -3.768 -4.925 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL 1 34 -3.720 -3.255 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL 1 34 -2.266 -3.978 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL 1 34 -2.640 -6.735 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL 1 34 -1.077 -5.885 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL 1 34 -1.771 -6.400 -0.180 1.00 0.00 H new ATOM 484 N CYS 1 35 0.543 -3.863 -0.115 1.00 0.00 N ATOM 485 CA CYS 1 35 1.923 -3.864 -0.552 1.00 0.00 C ATOM 486 C CYS 1 35 2.288 -5.222 -1.116 1.00 0.00 C ATOM 487 O CYS 1 35 1.790 -6.252 -0.647 1.00 0.00 O ATOM 488 CB CYS 1 35 2.834 -3.508 0.619 1.00 0.00 C ATOM 489 SG CYS 1 35 2.465 -1.883 1.348 1.00 0.00 S ATOM 0 H CYS 1 35 0.417 -4.077 0.874 1.00 0.00 H new ATOM 0 HA CYS 1 35 2.053 -3.119 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS 1 35 2.741 -4.274 1.389 1.00 0.00 H new ATOM 0 HB3 CYS 1 35 3.870 -3.520 0.281 1.00 0.00 H new ATOM 494 N TYR 1 36 3.143 -5.231 -2.125 1.00 0.00 N ATOM 495 CA TYR 1 36 3.520 -6.473 -2.780 1.00 0.00 C ATOM 496 C TYR 1 36 5.025 -6.718 -2.670 1.00 0.00 C ATOM 497 O TYR 1 36 5.776 -6.447 -3.609 1.00 0.00 O ATOM 498 CB TYR 1 36 3.104 -6.445 -4.250 1.00 0.00 C ATOM 499 CG TYR 1 36 1.653 -6.082 -4.488 1.00 0.00 C ATOM 500 CD1 TYR 1 36 0.620 -6.807 -3.902 1.00 0.00 C ATOM 501 CD2 TYR 1 36 1.316 -5.024 -5.322 1.00 0.00 C ATOM 502 CE1 TYR 1 36 -0.702 -6.490 -4.151 1.00 0.00 C ATOM 503 CE2 TYR 1 36 0.000 -4.699 -5.566 1.00 0.00 C ATOM 504 CZ TYR 1 36 -1.005 -5.436 -4.984 1.00 0.00 C ATOM 505 OH TYR 1 36 -2.320 -5.125 -5.243 1.00 0.00 O ATOM 0 H TYR 1 36 3.588 -4.396 -2.507 1.00 0.00 H new ATOM 0 HA TYR 1 36 3.001 -7.289 -2.277 1.00 0.00 H new ATOM 0 HB2 TYR 1 36 3.735 -5.731 -4.779 1.00 0.00 H new ATOM 0 HB3 TYR 1 36 3.296 -7.425 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR 1 36 0.855 -7.630 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR 1 36 2.100 -4.446 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR 1 36 -1.493 -7.066 -3.695 1.00 0.00 H new ATOM 0 HE2 TYR 1 36 -0.242 -3.868 -6.212 1.00 0.00 H new ATOM 0 HH TYR 1 36 -2.904 -5.747 -4.761 1.00 0.00 H new ATOM 515 N PRO 1 37 5.484 -7.215 -1.511 1.00 0.00 N ATOM 516 CA PRO 1 37 6.893 -7.536 -1.292 1.00 0.00 C ATOM 517 C PRO 1 37 7.336 -8.781 -2.060 1.00 0.00 C ATOM 518 O PRO 1 37 6.946 -9.901 -1.667 1.00 0.00 O ATOM 519 CB PRO 1 37 6.983 -7.773 0.212 1.00 0.00 C ATOM 520 CG PRO 1 37 5.611 -8.163 0.629 1.00 0.00 C ATOM 521 CD PRO 1 37 4.663 -7.488 -0.320 1.00 0.00 C ATOM 522 OXT PRO 1 37 8.089 -8.636 -3.047 1.00 0.00 O1- ATOM 0 HA PRO 1 37 7.546 -6.739 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO 1 37 7.703 -8.558 0.444 1.00 0.00 H new ATOM 0 HB3 PRO 1 37 7.312 -6.874 0.733 1.00 0.00 H new ATOM 0 HG2 PRO 1 37 5.489 -9.246 0.593 1.00 0.00 H new ATOM 0 HG3 PRO 1 37 5.416 -7.854 1.656 1.00 0.00 H new ATOM 0 HD2 PRO 1 37 3.814 -8.129 -0.559 1.00 0.00 H new ATOM 0 HD3 PRO 1 37 4.259 -6.569 0.105 1.00 0.00 H new TER 530 PRO 1 37