USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 374 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00137) USER MOD Single : A 3 ASN : amide:sc= -0.977 K(o=-0.98,f=-0.27) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 98:sc= 0.94 USER MOD Single : A 18 TYR OH : rot 121:sc= -4.1! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.958 -0.463 -9.865 1.00 0.00 N ATOM 2 CA MET A 1 -9.570 -1.376 -10.846 1.00 0.00 C ATOM 3 C MET A 1 -8.581 -1.669 -11.964 1.00 0.00 C ATOM 4 O MET A 1 -8.235 -2.821 -12.221 1.00 0.00 O ATOM 5 CB MET A 1 -10.880 -0.797 -11.366 1.00 0.00 C ATOM 6 CG MET A 1 -11.600 -1.791 -12.241 1.00 0.00 C ATOM 7 SD MET A 1 -13.014 -0.920 -13.008 1.00 0.00 S ATOM 8 CE MET A 1 -12.950 -1.622 -14.664 1.00 0.00 C ATOM 0 H1 MET A 1 -9.632 -0.279 -9.094 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.097 -0.898 -9.476 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.713 0.434 -10.331 1.00 0.00 H new ATOM 0 HA MET A 1 -9.812 -2.323 -10.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.517 -0.518 -10.527 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.680 0.113 -11.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.931 -2.185 -13.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.946 -2.641 -11.652 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.750 -1.197 -15.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.987 -1.391 -15.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.074 -2.703 -14.606 1.00 0.00 H new ATOM 20 N VAL A 2 -8.072 -0.602 -12.573 1.00 0.00 N ATOM 21 CA VAL A 2 -7.224 -0.723 -13.751 1.00 0.00 C ATOM 22 C VAL A 2 -5.960 -1.510 -13.415 1.00 0.00 C ATOM 23 O VAL A 2 -5.479 -1.479 -12.286 1.00 0.00 O ATOM 24 CB VAL A 2 -6.936 0.668 -14.352 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.173 1.263 -15.007 1.00 0.00 C ATOM 26 CG2 VAL A 2 -6.344 1.634 -13.333 1.00 0.00 C ATOM 0 H VAL A 2 -8.234 0.358 -12.268 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.746 -1.289 -14.522 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.183 0.516 -15.125 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.931 2.243 -15.419 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.512 0.606 -15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.964 1.367 -14.264 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.161 2.597 -13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.043 1.764 -12.507 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.404 1.232 -12.954 1.00 0.00 H new ATOM 36 N ASN A 3 -5.498 -2.289 -14.388 1.00 0.00 N ATOM 37 CA ASN A 3 -4.450 -3.273 -14.154 1.00 0.00 C ATOM 38 C ASN A 3 -4.982 -4.424 -13.306 1.00 0.00 C ATOM 39 O ASN A 3 -5.153 -5.540 -13.794 1.00 0.00 O ATOM 40 CB ASN A 3 -3.182 -2.625 -13.604 1.00 0.00 C ATOM 41 CG ASN A 3 -2.883 -1.272 -14.220 1.00 0.00 C ATOM 42 OD1 ASN A 3 -2.355 -0.373 -13.551 1.00 0.00 O ATOM 43 ND2 ASN A 3 -3.215 -1.120 -15.502 1.00 0.00 N ATOM 0 H ASN A 3 -5.836 -2.256 -15.350 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.150 -3.709 -15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.280 -2.511 -12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.337 -3.291 -13.779 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.036 -0.233 -15.974 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.648 -1.890 -16.011 1.00 0.00 H new ATOM 50 N LYS A 4 -5.455 -4.073 -12.112 1.00 0.00 N ATOM 51 CA LYS A 4 -5.971 -5.060 -11.174 1.00 0.00 C ATOM 52 C LYS A 4 -4.869 -6.036 -10.770 1.00 0.00 C ATOM 53 O LYS A 4 -4.458 -6.882 -11.563 1.00 0.00 O ATOM 54 CB LYS A 4 -7.142 -5.849 -11.763 1.00 0.00 C ATOM 55 CG LYS A 4 -8.037 -6.506 -10.711 1.00 0.00 C ATOM 56 CD LYS A 4 -7.958 -8.022 -10.724 1.00 0.00 C ATOM 57 CE LYS A 4 -8.596 -8.664 -11.885 1.00 0.00 C ATOM 58 NZ LYS A 4 -7.862 -9.887 -12.300 1.00 0.00 N ATOM 0 H LYS A 4 -5.490 -3.111 -11.774 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.326 -4.514 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.747 -5.180 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.751 -6.620 -12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.754 -6.142 -9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.070 -6.201 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.909 -8.317 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.423 -8.404 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.626 -8.922 -11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.633 -7.960 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.337 -10.315 -13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.886 -9.636 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.848 -10.567 -11.514 1.00 0.00 H new ATOM 72 N GLN A 5 -4.288 -5.783 -9.604 1.00 0.00 N ATOM 73 CA GLN A 5 -3.093 -6.492 -9.166 1.00 0.00 C ATOM 74 C GLN A 5 -3.099 -6.661 -7.651 1.00 0.00 C ATOM 75 O GLN A 5 -3.729 -5.892 -6.929 1.00 0.00 O ATOM 76 CB GLN A 5 -1.800 -5.820 -9.640 1.00 0.00 C ATOM 77 CG GLN A 5 -1.872 -4.305 -9.658 1.00 0.00 C ATOM 78 CD GLN A 5 -2.225 -3.715 -8.314 1.00 0.00 C ATOM 79 OE1 GLN A 5 -1.728 -4.131 -7.271 1.00 0.00 O ATOM 80 NE2 GLN A 5 -3.197 -2.805 -8.336 1.00 0.00 N ATOM 0 H GLN A 5 -4.628 -5.087 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.117 -7.478 -9.631 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.981 -6.128 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.562 -6.176 -10.643 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.912 -3.905 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.613 -3.991 -10.393 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.580 -2.489 -9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.559 -2.424 -7.462 1.00 0.00 H new ATOM 89 N LYS A 6 -2.477 -7.744 -7.198 1.00 0.00 N ATOM 90 CA LYS A 6 -2.243 -7.943 -5.768 1.00 0.00 C ATOM 91 C LYS A 6 -0.893 -8.620 -5.552 1.00 0.00 C ATOM 92 O LYS A 6 -0.686 -9.349 -4.574 1.00 0.00 O ATOM 93 CB LYS A 6 -3.356 -8.763 -5.125 1.00 0.00 C ATOM 94 CG LYS A 6 -3.399 -8.671 -3.599 1.00 0.00 C ATOM 95 CD LYS A 6 -4.505 -9.509 -2.984 1.00 0.00 C ATOM 96 CE LYS A 6 -4.827 -9.179 -1.586 1.00 0.00 C ATOM 97 NZ LYS A 6 -6.223 -8.691 -1.452 1.00 0.00 N ATOM 0 H LYS A 6 -2.127 -8.494 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.237 -6.964 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.314 -8.432 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.235 -9.808 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.439 -8.993 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.535 -7.630 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.406 -9.394 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.218 -10.559 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.687 -10.061 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.137 -8.417 -1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.418 -8.467 -0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.349 -7.836 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.881 -9.428 -1.777 1.00 0.00 H new ATOM 111 N VAL A 7 0.116 -8.086 -6.249 1.00 0.00 N ATOM 112 CA VAL A 7 1.426 -8.716 -6.284 1.00 0.00 C ATOM 113 C VAL A 7 2.525 -7.653 -6.355 1.00 0.00 C ATOM 114 O VAL A 7 2.230 -6.460 -6.438 1.00 0.00 O ATOM 115 CB VAL A 7 1.505 -9.738 -7.438 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.429 -10.813 -7.340 1.00 0.00 C ATOM 117 CG2 VAL A 7 1.465 -9.053 -8.794 1.00 0.00 C ATOM 0 H VAL A 7 0.045 -7.225 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 7 1.584 -9.274 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 7 2.468 -10.239 -7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.530 -11.506 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.542 -11.357 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.556 -10.346 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.523 -9.803 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.534 -8.494 -8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.309 -8.369 -8.881 1.00 0.00 H new ATOM 127 N CYS A 8 3.727 -8.124 -6.686 1.00 0.00 N ATOM 128 CA CYS A 8 4.834 -7.252 -7.035 1.00 0.00 C ATOM 129 C CYS A 8 5.050 -7.285 -8.571 1.00 0.00 C ATOM 130 O CYS A 8 5.797 -8.137 -9.085 1.00 0.00 O ATOM 131 CB CYS A 8 6.112 -7.646 -6.309 1.00 0.00 C ATOM 132 SG CYS A 8 7.444 -6.421 -6.399 1.00 0.00 S ATOM 0 H CYS A 8 3.954 -9.118 -6.718 1.00 0.00 H new ATOM 0 HA CYS A 8 4.585 -6.238 -6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.876 -7.829 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.474 -8.587 -6.724 1.00 0.00 H new ATOM 137 N PRO A 9 4.751 -6.118 -9.190 1.00 0.00 N ATOM 138 CA PRO A 9 5.093 -5.854 -10.609 1.00 0.00 C ATOM 139 C PRO A 9 6.592 -5.734 -10.870 1.00 0.00 C ATOM 140 O PRO A 9 7.016 -5.517 -12.005 1.00 0.00 O ATOM 141 CB PRO A 9 4.319 -4.606 -11.018 1.00 0.00 C ATOM 142 CG PRO A 9 3.338 -4.278 -9.930 1.00 0.00 C ATOM 143 CD PRO A 9 3.790 -5.074 -8.715 1.00 0.00 C ATOM 0 HA PRO A 9 4.804 -6.707 -11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.002 -3.771 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.798 -4.775 -11.960 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.332 -3.209 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.324 -4.551 -10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.266 -4.420 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.936 -5.536 -8.221 1.00 0.00 H new ATOM 151 N ALA A 10 7.349 -5.629 -9.779 1.00 0.00 N ATOM 152 CA ALA A 10 8.803 -5.566 -9.867 1.00 0.00 C ATOM 153 C ALA A 10 9.386 -6.962 -10.042 1.00 0.00 C ATOM 154 O ALA A 10 9.807 -7.339 -11.135 1.00 0.00 O ATOM 155 CB ALA A 10 9.382 -4.870 -8.642 1.00 0.00 C ATOM 0 H ALA A 10 6.980 -5.586 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 10 9.077 -4.978 -10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.468 -4.832 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.987 -3.856 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.106 -5.423 -7.745 1.00 0.00 H new ATOM 161 N CYS A 11 9.405 -7.727 -8.950 1.00 0.00 N ATOM 162 CA CYS A 11 10.217 -8.935 -8.887 1.00 0.00 C ATOM 163 C CYS A 11 9.438 -10.161 -9.345 1.00 0.00 C ATOM 164 O CYS A 11 9.966 -11.279 -9.331 1.00 0.00 O ATOM 165 CB CYS A 11 10.876 -9.111 -7.531 1.00 0.00 C ATOM 166 SG CYS A 11 9.780 -9.379 -6.126 1.00 0.00 S ATOM 0 H CYS A 11 8.870 -7.531 -8.104 1.00 0.00 H new ATOM 0 HA CYS A 11 11.036 -8.817 -9.596 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.562 -9.956 -7.593 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.479 -8.226 -7.328 1.00 0.00 H new ATOM 171 N GLU A 12 8.130 -9.991 -9.500 1.00 0.00 N ATOM 172 CA GLU A 12 7.192 -11.105 -9.565 1.00 0.00 C ATOM 173 C GLU A 12 7.265 -11.932 -8.280 1.00 0.00 C ATOM 174 O GLU A 12 7.289 -13.163 -8.318 1.00 0.00 O ATOM 175 CB GLU A 12 7.505 -11.922 -10.807 1.00 0.00 C ATOM 176 CG GLU A 12 6.874 -11.443 -12.089 1.00 0.00 C ATOM 177 CD GLU A 12 5.916 -12.371 -12.782 1.00 0.00 C ATOM 178 OE1 GLU A 12 6.186 -13.515 -13.101 1.00 0.00 O ATOM 179 OE2 GLU A 12 4.865 -11.787 -13.126 1.00 0.00 O ATOM 0 H GLU A 12 7.689 -9.075 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 12 6.166 -10.746 -9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.586 -11.941 -10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.188 -12.950 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.347 -10.513 -11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.675 -11.203 -12.788 1.00 0.00 H new ATOM 186 N SER A 13 7.042 -11.254 -7.156 1.00 0.00 N ATOM 187 CA SER A 13 6.646 -11.915 -5.916 1.00 0.00 C ATOM 188 C SER A 13 5.228 -11.502 -5.531 1.00 0.00 C ATOM 189 O SER A 13 4.520 -10.882 -6.323 1.00 0.00 O ATOM 190 CB SER A 13 7.631 -11.632 -4.792 1.00 0.00 C ATOM 191 OG SER A 13 8.900 -12.206 -5.053 1.00 0.00 O ATOM 0 H SER A 13 7.130 -10.241 -7.080 1.00 0.00 H new ATOM 0 HA SER A 13 6.658 -12.992 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.738 -10.555 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.238 -12.027 -3.855 1.00 0.00 H new ATOM 0 HG SER A 13 9.498 -11.524 -5.424 1.00 0.00 H new ATOM 197 N ALA A 14 4.776 -12.014 -4.392 1.00 0.00 N ATOM 198 CA ALA A 14 3.370 -11.935 -4.014 1.00 0.00 C ATOM 199 C ALA A 14 3.200 -11.447 -2.575 1.00 0.00 C ATOM 200 O ALA A 14 2.072 -11.299 -2.098 1.00 0.00 O ATOM 201 CB ALA A 14 2.710 -13.298 -4.194 1.00 0.00 C ATOM 0 H ALA A 14 5.367 -12.491 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 14 2.884 -11.209 -4.666 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.660 -13.234 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.786 -13.604 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.212 -14.032 -3.563 1.00 0.00 H new ATOM 207 N GLU A 15 4.301 -11.505 -1.833 1.00 0.00 N ATOM 208 CA GLU A 15 4.291 -11.183 -0.414 1.00 0.00 C ATOM 209 C GLU A 15 4.583 -9.696 -0.208 1.00 0.00 C ATOM 210 O GLU A 15 5.694 -9.238 -0.477 1.00 0.00 O ATOM 211 CB GLU A 15 5.332 -12.057 0.274 1.00 0.00 C ATOM 212 CG GLU A 15 5.156 -13.543 0.105 1.00 0.00 C ATOM 213 CD GLU A 15 4.842 -14.353 1.332 1.00 0.00 C ATOM 214 OE1 GLU A 15 4.046 -13.758 2.092 1.00 0.00 O ATOM 215 OE2 GLU A 15 5.163 -15.519 1.475 1.00 0.00 O ATOM 0 H GLU A 15 5.216 -11.774 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 15 3.310 -11.380 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.317 -11.782 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.324 -11.828 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.357 -13.706 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.070 -13.941 -0.335 1.00 0.00 H new ATOM 222 N LEU A 16 3.710 -9.061 0.573 1.00 0.00 N ATOM 223 CA LEU A 16 3.851 -7.644 0.874 1.00 0.00 C ATOM 224 C LEU A 16 3.570 -7.384 2.353 1.00 0.00 C ATOM 225 O LEU A 16 2.973 -8.215 3.035 1.00 0.00 O ATOM 226 CB LEU A 16 2.930 -6.863 -0.077 1.00 0.00 C ATOM 227 CG LEU A 16 2.961 -7.260 -1.543 1.00 0.00 C ATOM 228 CD1 LEU A 16 2.072 -6.349 -2.376 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.402 -7.184 -2.037 1.00 0.00 C ATOM 0 H LEU A 16 2.901 -9.507 1.006 1.00 0.00 H new ATOM 0 HA LEU A 16 4.872 -7.301 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.906 -6.967 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.187 -5.806 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 16 2.581 -8.276 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.114 -6.656 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.045 -6.417 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.420 -5.320 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.441 -7.466 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.773 -6.166 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.023 -7.865 -1.455 1.00 0.00 H new ATOM 241 N ILE A 17 4.168 -6.313 2.863 1.00 0.00 N ATOM 242 CA ILE A 17 4.164 -6.033 4.290 1.00 0.00 C ATOM 243 C ILE A 17 3.910 -4.548 4.539 1.00 0.00 C ATOM 244 O ILE A 17 4.474 -3.691 3.860 1.00 0.00 O ATOM 245 CB ILE A 17 5.517 -6.510 4.944 1.00 0.00 C ATOM 246 CG1 ILE A 17 6.698 -6.076 4.038 1.00 0.00 C ATOM 247 CG2 ILE A 17 5.534 -8.025 5.238 1.00 0.00 C ATOM 248 CD1 ILE A 17 8.079 -6.618 4.482 1.00 0.00 C ATOM 0 H ILE A 17 4.665 -5.621 2.302 1.00 0.00 H new ATOM 0 HA ILE A 17 3.354 -6.590 4.761 1.00 0.00 H new ATOM 0 HB ILE A 17 5.620 -6.030 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.501 -6.411 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.740 -4.987 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.489 -8.298 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.725 -8.271 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.400 -8.578 4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.847 -6.266 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.303 -6.262 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.060 -7.708 4.478 1.00 0.00 H new ATOM 260 N TYR A 18 2.937 -4.274 5.402 1.00 0.00 N ATOM 261 CA TYR A 18 2.389 -2.931 5.546 1.00 0.00 C ATOM 262 C TYR A 18 3.209 -2.128 6.549 1.00 0.00 C ATOM 263 O TYR A 18 3.545 -2.615 7.627 1.00 0.00 O ATOM 264 CB TYR A 18 0.904 -2.981 5.961 1.00 0.00 C ATOM 265 CG TYR A 18 0.134 -1.714 5.658 1.00 0.00 C ATOM 266 CD1 TYR A 18 0.462 -0.500 6.267 1.00 0.00 C ATOM 267 CD2 TYR A 18 -0.877 -1.712 4.697 1.00 0.00 C ATOM 268 CE1 TYR A 18 -0.168 0.688 5.900 1.00 0.00 C ATOM 269 CE2 TYR A 18 -1.487 -0.530 4.289 1.00 0.00 C ATOM 270 CZ TYR A 18 -1.139 0.666 4.901 1.00 0.00 C ATOM 271 OH TYR A 18 -1.703 1.818 4.422 1.00 0.00 O ATOM 0 H TYR A 18 2.510 -4.969 6.015 1.00 0.00 H new ATOM 0 HA TYR A 18 2.446 -2.432 4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.423 -3.816 5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.843 -3.183 7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.219 -0.482 7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.193 -2.648 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.094 1.617 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.226 -0.543 3.502 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.539 1.886 3.458 1.00 0.00 H new ATOM 281 N ASP A 19 3.437 -0.862 6.217 1.00 0.00 N ATOM 282 CA ASP A 19 4.019 0.089 7.149 1.00 0.00 C ATOM 283 C ASP A 19 2.926 1.052 7.660 1.00 0.00 C ATOM 284 O ASP A 19 2.622 2.076 7.029 1.00 0.00 O ATOM 285 CB ASP A 19 5.231 0.801 6.566 1.00 0.00 C ATOM 286 CG ASP A 19 6.527 0.483 7.292 1.00 0.00 C ATOM 287 OD1 ASP A 19 6.783 1.185 8.295 1.00 0.00 O ATOM 288 OD2 ASP A 19 7.321 -0.351 6.833 1.00 0.00 O ATOM 0 H ASP A 19 3.224 -0.471 5.299 1.00 0.00 H new ATOM 0 HA ASP A 19 4.407 -0.454 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.335 0.525 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.061 1.877 6.598 1.00 0.00 H new ATOM 293 N PRO A 20 2.246 0.627 8.743 1.00 0.00 N ATOM 294 CA PRO A 20 0.999 1.285 9.213 1.00 0.00 C ATOM 295 C PRO A 20 1.187 2.757 9.575 1.00 0.00 C ATOM 296 O PRO A 20 0.218 3.459 9.863 1.00 0.00 O ATOM 297 CB PRO A 20 0.477 0.451 10.374 1.00 0.00 C ATOM 298 CG PRO A 20 1.502 -0.591 10.716 1.00 0.00 C ATOM 299 CD PRO A 20 2.471 -0.614 9.541 1.00 0.00 C ATOM 0 HA PRO A 20 0.268 1.317 8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.281 1.086 11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.468 -0.022 10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.017 -0.344 11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.037 -1.566 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.501 -0.659 9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.306 -1.499 8.926 1.00 0.00 H new ATOM 307 N GLU A 21 2.445 3.117 9.812 1.00 0.00 N ATOM 308 CA GLU A 21 2.788 4.453 10.279 1.00 0.00 C ATOM 309 C GLU A 21 2.721 5.449 9.120 1.00 0.00 C ATOM 310 O GLU A 21 1.945 6.403 9.161 1.00 0.00 O ATOM 311 CB GLU A 21 4.184 4.395 10.886 1.00 0.00 C ATOM 312 CG GLU A 21 4.243 4.161 12.372 1.00 0.00 C ATOM 313 CD GLU A 21 5.446 4.676 13.113 1.00 0.00 C ATOM 314 OE1 GLU A 21 5.570 5.827 13.490 1.00 0.00 O ATOM 315 OE2 GLU A 21 6.223 3.753 13.442 1.00 0.00 O ATOM 0 H GLU A 21 3.246 2.498 9.687 1.00 0.00 H new ATOM 0 HA GLU A 21 2.080 4.791 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.743 3.601 10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.695 5.332 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.356 4.611 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.177 3.087 12.545 1.00 0.00 H new ATOM 322 N ARG A 22 3.318 5.044 8.003 1.00 0.00 N ATOM 323 CA ARG A 22 3.260 5.821 6.775 1.00 0.00 C ATOM 324 C ARG A 22 1.904 5.640 6.095 1.00 0.00 C ATOM 325 O ARG A 22 1.468 6.495 5.326 1.00 0.00 O ATOM 326 CB ARG A 22 4.381 5.435 5.801 1.00 0.00 C ATOM 327 CG ARG A 22 5.771 5.886 6.225 1.00 0.00 C ATOM 328 CD ARG A 22 6.831 5.289 5.362 1.00 0.00 C ATOM 329 NE ARG A 22 8.153 5.402 5.961 1.00 0.00 N ATOM 330 CZ ARG A 22 9.129 4.516 5.753 1.00 0.00 C ATOM 331 NH1 ARG A 22 8.898 3.359 5.138 1.00 0.00 N ATOM 332 NH2 ARG A 22 10.352 4.773 6.219 1.00 0.00 N ATOM 0 H ARG A 22 3.850 4.177 7.926 1.00 0.00 H new ATOM 0 HA ARG A 22 3.396 6.868 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.385 4.351 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.158 5.861 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.832 6.973 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.945 5.603 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.603 4.238 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.830 5.785 4.391 1.00 0.00 H new ATOM 0 HE ARG A 22 8.343 6.198 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.958 3.133 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.661 2.698 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.532 5.639 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.107 4.104 6.067 1.00 0.00 H new ATOM 346 N GLY A 23 1.348 4.443 6.247 1.00 0.00 N ATOM 347 CA GLY A 23 0.180 4.031 5.485 1.00 0.00 C ATOM 348 C GLY A 23 0.600 3.390 4.167 1.00 0.00 C ATOM 349 O GLY A 23 -0.080 3.522 3.152 1.00 0.00 O ATOM 0 H GLY A 23 1.693 3.737 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.411 3.324 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.457 4.894 5.290 1.00 0.00 H new ATOM 353 N GLU A 24 1.727 2.687 4.209 1.00 0.00 N ATOM 354 CA GLU A 24 2.357 2.178 2.995 1.00 0.00 C ATOM 355 C GLU A 24 2.308 0.652 2.981 1.00 0.00 C ATOM 356 O GLU A 24 2.230 0.013 4.027 1.00 0.00 O ATOM 357 CB GLU A 24 3.789 2.696 2.960 1.00 0.00 C ATOM 358 CG GLU A 24 4.639 2.200 1.822 1.00 0.00 C ATOM 359 CD GLU A 24 5.543 3.192 1.142 1.00 0.00 C ATOM 360 OE1 GLU A 24 4.901 4.160 0.677 1.00 0.00 O ATOM 361 OE2 GLU A 24 6.758 3.179 1.240 1.00 0.00 O ATOM 0 H GLU A 24 2.223 2.457 5.070 1.00 0.00 H new ATOM 0 HA GLU A 24 1.828 2.523 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.760 3.785 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.276 2.425 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.257 1.384 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.976 1.778 1.067 1.00 0.00 H new ATOM 368 N ILE A 25 2.471 0.088 1.789 1.00 0.00 N ATOM 369 CA ILE A 25 2.708 -1.341 1.639 1.00 0.00 C ATOM 370 C ILE A 25 3.923 -1.580 0.743 1.00 0.00 C ATOM 371 O ILE A 25 4.205 -0.781 -0.150 1.00 0.00 O ATOM 372 CB ILE A 25 1.425 -2.059 1.079 1.00 0.00 C ATOM 373 CG1 ILE A 25 0.167 -1.496 1.790 1.00 0.00 C ATOM 374 CG2 ILE A 25 1.509 -3.598 1.182 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.510 -0.316 1.051 1.00 0.00 C ATOM 0 H ILE A 25 2.443 0.603 0.909 1.00 0.00 H new ATOM 0 HA ILE A 25 2.922 -1.771 2.618 1.00 0.00 H new ATOM 0 HB ILE A 25 1.354 -1.845 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.559 -2.300 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.446 -1.169 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.597 -4.040 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.366 -3.955 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.623 -3.887 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.381 0.016 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.197 0.508 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.824 -0.640 0.059 1.00 0.00 H new ATOM 387 N VAL A 26 4.717 -2.579 1.116 1.00 0.00 N ATOM 388 CA VAL A 26 6.015 -2.796 0.491 1.00 0.00 C ATOM 389 C VAL A 26 6.176 -4.270 0.112 1.00 0.00 C ATOM 390 O VAL A 26 5.474 -5.129 0.645 1.00 0.00 O ATOM 391 CB VAL A 26 7.152 -2.275 1.390 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.479 -2.155 0.647 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.789 -0.960 2.061 1.00 0.00 C ATOM 0 H VAL A 26 4.483 -3.250 1.848 1.00 0.00 H new ATOM 0 HA VAL A 26 6.072 -2.221 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 26 7.285 -3.025 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.245 -1.784 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.774 -3.134 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.368 -1.462 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.619 -0.629 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.585 -0.207 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.903 -1.100 2.680 1.00 0.00 H new ATOM 403 N CYS A 27 7.324 -4.553 -0.502 1.00 0.00 N ATOM 404 CA CYS A 27 7.659 -5.921 -0.892 1.00 0.00 C ATOM 405 C CYS A 27 8.631 -6.525 0.120 1.00 0.00 C ATOM 406 O CYS A 27 9.800 -6.141 0.169 1.00 0.00 O ATOM 407 CB CYS A 27 8.207 -5.957 -2.312 1.00 0.00 C ATOM 408 SG CYS A 27 8.383 -7.606 -3.035 1.00 0.00 S ATOM 0 H CYS A 27 8.033 -3.859 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 27 6.755 -6.530 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.551 -5.367 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.182 -5.470 -2.319 1.00 0.00 H new ATOM 413 N ALA A 28 8.217 -7.656 0.688 1.00 0.00 N ATOM 414 CA ALA A 28 9.050 -8.407 1.610 1.00 0.00 C ATOM 415 C ALA A 28 10.124 -9.202 0.882 1.00 0.00 C ATOM 416 O ALA A 28 10.960 -9.855 1.511 1.00 0.00 O ATOM 417 CB ALA A 28 8.182 -9.324 2.472 1.00 0.00 C ATOM 0 H ALA A 28 7.300 -8.071 0.520 1.00 0.00 H new ATOM 0 HA ALA A 28 9.563 -7.695 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.816 -9.883 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.471 -8.724 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.640 -10.020 1.831 1.00 0.00 H new ATOM 423 N LYS A 29 10.173 -9.039 -0.432 1.00 0.00 N ATOM 424 CA LYS A 29 11.223 -9.620 -1.254 1.00 0.00 C ATOM 425 C LYS A 29 12.251 -8.562 -1.633 1.00 0.00 C ATOM 426 O LYS A 29 13.320 -8.475 -1.032 1.00 0.00 O ATOM 427 CB LYS A 29 10.663 -10.255 -2.529 1.00 0.00 C ATOM 428 CG LYS A 29 10.980 -11.745 -2.669 1.00 0.00 C ATOM 429 CD LYS A 29 10.000 -12.633 -1.925 1.00 0.00 C ATOM 430 CE LYS A 29 10.501 -13.980 -1.610 1.00 0.00 C ATOM 431 NZ LYS A 29 11.087 -14.038 -0.248 1.00 0.00 N ATOM 0 H LYS A 29 9.485 -8.500 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 29 11.698 -10.401 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.581 -10.120 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.064 -9.725 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.976 -12.014 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.987 -11.933 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.718 -12.139 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.093 -12.729 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.686 -14.700 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.253 -14.270 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.430 -15.001 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.880 -13.369 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.362 -13.785 0.453 1.00 0.00 H new ATOM 445 N CYS A 30 11.860 -7.674 -2.549 1.00 0.00 N ATOM 446 CA CYS A 30 12.827 -6.802 -3.204 1.00 0.00 C ATOM 447 C CYS A 30 13.031 -5.508 -2.427 1.00 0.00 C ATOM 448 O CYS A 30 13.829 -4.657 -2.833 1.00 0.00 O ATOM 449 CB CYS A 30 12.499 -6.578 -4.667 1.00 0.00 C ATOM 450 SG CYS A 30 10.955 -5.717 -5.026 1.00 0.00 S ATOM 0 H CYS A 30 10.894 -7.543 -2.849 1.00 0.00 H new ATOM 0 HA CYS A 30 13.788 -7.316 -3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.316 -6.014 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.471 -7.549 -5.162 1.00 0.00 H new ATOM 455 N GLY A 31 12.061 -5.221 -1.549 1.00 0.00 N ATOM 456 CA GLY A 31 12.128 -4.024 -0.723 1.00 0.00 C ATOM 457 C GLY A 31 11.212 -2.924 -1.259 1.00 0.00 C ATOM 458 O GLY A 31 11.256 -1.790 -0.766 1.00 0.00 O ATOM 0 H GLY A 31 11.233 -5.798 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.844 -4.270 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.155 -3.660 -0.690 1.00 0.00 H new ATOM 462 N TYR A 32 10.731 -3.160 -2.483 1.00 0.00 N ATOM 463 CA TYR A 32 10.005 -2.143 -3.229 1.00 0.00 C ATOM 464 C TYR A 32 8.634 -1.905 -2.594 1.00 0.00 C ATOM 465 O TYR A 32 7.848 -2.845 -2.459 1.00 0.00 O ATOM 466 CB TYR A 32 9.860 -2.526 -4.714 1.00 0.00 C ATOM 467 CG TYR A 32 9.063 -1.536 -5.539 1.00 0.00 C ATOM 468 CD1 TYR A 32 9.511 -0.228 -5.730 1.00 0.00 C ATOM 469 CD2 TYR A 32 7.971 -1.972 -6.292 1.00 0.00 C ATOM 470 CE1 TYR A 32 8.851 0.644 -6.595 1.00 0.00 C ATOM 471 CE2 TYR A 32 7.300 -1.115 -7.159 1.00 0.00 C ATOM 472 CZ TYR A 32 7.752 0.188 -7.319 1.00 0.00 C ATOM 473 OH TYR A 32 7.096 0.988 -8.214 1.00 0.00 O ATOM 0 H TYR A 32 10.834 -4.048 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 32 10.579 -1.218 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.854 -2.627 -5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.382 -3.504 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.386 0.115 -5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.640 -2.996 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.189 1.664 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.434 -1.461 -7.704 1.00 0.00 H new ATOM 0 HH TYR A 32 6.357 0.488 -8.619 1.00 0.00 H new ATOM 483 N VAL A 33 8.257 -0.629 -2.528 1.00 0.00 N ATOM 484 CA VAL A 33 6.908 -0.245 -2.154 1.00 0.00 C ATOM 485 C VAL A 33 5.898 -0.814 -3.156 1.00 0.00 C ATOM 486 O VAL A 33 6.226 -1.007 -4.326 1.00 0.00 O ATOM 487 CB VAL A 33 6.784 1.281 -1.978 1.00 0.00 C ATOM 488 CG1 VAL A 33 5.368 1.710 -1.600 1.00 0.00 C ATOM 489 CG2 VAL A 33 7.794 1.818 -0.977 1.00 0.00 C ATOM 0 H VAL A 33 8.875 0.156 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 33 6.676 -0.678 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 33 7.008 1.718 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.334 2.794 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.674 1.404 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.084 1.239 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.673 2.897 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.631 1.348 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.803 1.595 -1.323 1.00 0.00 H new ATOM 499 N ILE A 34 4.632 -0.724 -2.764 1.00 0.00 N ATOM 500 CA ILE A 34 3.521 -1.058 -3.648 1.00 0.00 C ATOM 501 C ILE A 34 2.609 0.159 -3.804 1.00 0.00 C ATOM 502 O ILE A 34 2.740 0.925 -4.757 1.00 0.00 O ATOM 503 CB ILE A 34 2.751 -2.306 -3.067 1.00 0.00 C ATOM 504 CG1 ILE A 34 3.697 -3.536 -3.100 1.00 0.00 C ATOM 505 CG2 ILE A 34 1.405 -2.579 -3.764 1.00 0.00 C ATOM 506 CD1 ILE A 34 3.847 -4.196 -4.491 1.00 0.00 C ATOM 0 H ILE A 34 4.348 -0.420 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 34 3.888 -1.324 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 34 2.477 -2.087 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.683 -3.229 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.327 -4.282 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.932 -3.451 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.754 -1.713 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.576 -2.767 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.525 -5.046 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.872 -4.538 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.249 -3.469 -5.197 1.00 0.00 H new ATOM 518 N GLU A 35 1.903 0.466 -2.717 1.00 0.00 N ATOM 519 CA GLU A 35 0.949 1.569 -2.719 1.00 0.00 C ATOM 520 C GLU A 35 0.657 2.008 -1.283 1.00 0.00 C ATOM 521 O GLU A 35 1.186 1.432 -0.334 1.00 0.00 O ATOM 522 CB GLU A 35 -0.312 1.093 -3.428 1.00 0.00 C ATOM 523 CG GLU A 35 -1.487 2.035 -3.382 1.00 0.00 C ATOM 524 CD GLU A 35 -1.397 3.304 -4.182 1.00 0.00 C ATOM 525 OE1 GLU A 35 -0.933 4.346 -3.752 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.039 3.226 -5.252 1.00 0.00 O ATOM 0 H GLU A 35 1.974 -0.031 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 35 1.353 2.435 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.067 0.899 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.616 0.142 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.368 1.489 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.658 2.307 -2.340 1.00 0.00 H new ATOM 533 N GLU A 36 -0.038 3.133 -1.164 1.00 0.00 N ATOM 534 CA GLU A 36 -0.153 3.834 0.110 1.00 0.00 C ATOM 535 C GLU A 36 -1.585 4.326 0.311 1.00 0.00 C ATOM 536 O GLU A 36 -1.977 5.359 -0.230 1.00 0.00 O ATOM 537 CB GLU A 36 0.842 4.988 0.098 1.00 0.00 C ATOM 538 CG GLU A 36 0.763 5.934 1.267 1.00 0.00 C ATOM 539 CD GLU A 36 2.040 6.582 1.728 1.00 0.00 C ATOM 540 OE1 GLU A 36 2.767 6.916 0.768 1.00 0.00 O ATOM 541 OE2 GLU A 36 2.262 6.899 2.883 1.00 0.00 O ATOM 0 H GLU A 36 -0.532 3.581 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 36 0.075 3.169 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.849 4.574 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.695 5.560 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.058 6.725 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.339 5.390 2.111 1.00 0.00 H new ATOM 548 N ASN A 37 -2.385 3.491 0.963 1.00 0.00 N ATOM 549 CA ASN A 37 -3.817 3.726 1.078 1.00 0.00 C ATOM 550 C ASN A 37 -4.454 2.690 2.002 1.00 0.00 C ATOM 551 O ASN A 37 -4.794 1.589 1.569 1.00 0.00 O ATOM 552 CB ASN A 37 -4.483 3.833 -0.291 1.00 0.00 C ATOM 553 CG ASN A 37 -5.841 4.509 -0.247 1.00 0.00 C ATOM 554 OD1 ASN A 37 -6.883 3.846 -0.351 1.00 0.00 O ATOM 555 ND2 ASN A 37 -5.836 5.832 -0.090 1.00 0.00 N ATOM 0 H ASN A 37 -2.062 2.640 1.423 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.981 4.697 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.829 4.390 -0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.596 2.834 -0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.717 6.344 -0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.951 6.333 -0.009 1.00 0.00 H new ATOM 562 N ILE A 38 -4.793 3.134 3.208 1.00 0.00 N ATOM 563 CA ILE A 38 -5.702 2.395 4.077 1.00 0.00 C ATOM 564 C ILE A 38 -6.919 3.252 4.418 1.00 0.00 C ATOM 565 O ILE A 38 -7.018 4.400 3.986 1.00 0.00 O ATOM 566 CB ILE A 38 -4.947 1.911 5.371 1.00 0.00 C ATOM 567 CG1 ILE A 38 -4.070 3.070 5.912 1.00 0.00 C ATOM 568 CG2 ILE A 38 -4.131 0.621 5.139 1.00 0.00 C ATOM 569 CD1 ILE A 38 -4.446 3.545 7.336 1.00 0.00 C ATOM 0 H ILE A 38 -4.449 4.007 3.608 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.059 1.508 3.553 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.689 1.646 6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.028 2.751 5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.145 3.916 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.632 0.335 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.799 -0.180 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.385 0.797 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.783 4.357 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.477 3.898 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.343 2.715 8.035 1.00 0.00 H new ATOM 581 N ILE A 39 -7.923 2.604 5.002 1.00 0.00 N ATOM 582 CA ILE A 39 -9.238 3.199 5.167 1.00 0.00 C ATOM 583 C ILE A 39 -9.400 3.775 6.570 1.00 0.00 C ATOM 584 O ILE A 39 -9.388 4.993 6.753 1.00 0.00 O ATOM 585 CB ILE A 39 -10.382 2.192 4.796 1.00 0.00 C ATOM 586 CG1 ILE A 39 -10.001 0.753 5.223 1.00 0.00 C ATOM 587 CG2 ILE A 39 -10.782 2.265 3.303 1.00 0.00 C ATOM 588 CD1 ILE A 39 -11.177 -0.081 5.787 1.00 0.00 C ATOM 0 H ILE A 39 -7.845 1.656 5.371 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.324 4.029 4.465 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.269 2.489 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.582 0.231 4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.216 0.807 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.577 1.547 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.134 3.270 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.917 2.030 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.821 -1.074 6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.584 0.414 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.956 -0.171 5.029 1.00 0.00 H new ATOM 600 N ASP A 40 -9.735 2.902 7.512 1.00 0.00 N ATOM 601 CA ASP A 40 -10.196 3.320 8.829 1.00 0.00 C ATOM 602 C ASP A 40 -9.053 3.962 9.611 1.00 0.00 C ATOM 603 O ASP A 40 -8.575 3.402 10.597 1.00 0.00 O ATOM 604 CB ASP A 40 -10.898 2.185 9.568 1.00 0.00 C ATOM 605 CG ASP A 40 -9.966 1.054 9.960 1.00 0.00 C ATOM 606 OD1 ASP A 40 -9.155 0.590 9.145 1.00 0.00 O ATOM 607 OD2 ASP A 40 -10.100 0.603 11.118 1.00 0.00 O ATOM 0 H ASP A 40 -9.695 1.891 7.386 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.959 4.090 8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.371 2.584 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.694 1.788 8.938 1.00 0.00 H new ATOM 612 N MET A 41 -8.758 5.210 9.266 1.00 0.00 N ATOM 613 CA MET A 41 -7.861 6.040 10.057 1.00 0.00 C ATOM 614 C MET A 41 -8.209 7.516 9.882 1.00 0.00 C ATOM 615 O MET A 41 -9.303 7.854 9.432 1.00 0.00 O ATOM 616 CB MET A 41 -6.401 5.757 9.710 1.00 0.00 C ATOM 617 CG MET A 41 -5.571 5.601 10.958 1.00 0.00 C ATOM 618 SD MET A 41 -3.838 5.343 10.433 1.00 0.00 S ATOM 619 CE MET A 41 -3.050 5.171 12.042 1.00 0.00 C ATOM 0 H MET A 41 -9.131 5.671 8.436 1.00 0.00 H new ATOM 0 HA MET A 41 -7.994 5.789 11.109 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.335 4.850 9.109 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.003 6.571 9.103 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.654 6.487 11.587 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.923 4.756 11.550 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.981 5.006 11.908 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.207 6.080 12.623 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.484 4.323 12.571 1.00 0.00 H new ATOM 629 N GLY A 42 -7.357 8.369 10.445 1.00 0.00 N ATOM 630 CA GLY A 42 -7.601 9.798 10.475 1.00 0.00 C ATOM 631 C GLY A 42 -6.745 10.452 11.580 1.00 0.00 C ATOM 632 O GLY A 42 -5.827 11.241 11.305 1.00 0.00 O ATOM 0 H GLY A 42 -6.484 8.085 10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.360 10.238 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.658 9.992 10.658 1.00 0.00 H new ATOM 636 N PRO A 43 -7.171 10.231 12.839 1.00 0.00 N ATOM 637 CA PRO A 43 -6.477 10.790 14.025 1.00 0.00 C ATOM 638 C PRO A 43 -4.995 10.427 14.093 1.00 0.00 C ATOM 639 O PRO A 43 -4.637 9.250 14.118 1.00 0.00 O ATOM 640 CB PRO A 43 -7.258 10.319 15.247 1.00 0.00 C ATOM 641 CG PRO A 43 -8.224 9.256 14.810 1.00 0.00 C ATOM 642 CD PRO A 43 -8.295 9.361 13.293 1.00 0.00 C ATOM 0 HA PRO A 43 -6.466 11.879 13.970 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.578 9.926 16.003 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.792 11.154 15.701 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.884 8.267 15.118 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.205 9.410 15.259 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.220 8.373 12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.252 9.782 12.984 1.00 0.00 H new ATOM 650 N GLU A 44 -4.154 11.446 13.966 1.00 0.00 N ATOM 651 CA GLU A 44 -2.723 11.244 13.767 1.00 0.00 C ATOM 652 C GLU A 44 -1.930 12.130 14.728 1.00 0.00 C ATOM 653 O GLU A 44 -2.395 12.434 15.825 1.00 0.00 O ATOM 654 CB GLU A 44 -2.403 11.567 12.313 1.00 0.00 C ATOM 655 CG GLU A 44 -1.413 10.652 11.641 1.00 0.00 C ATOM 656 CD GLU A 44 -0.482 11.257 10.627 1.00 0.00 C ATOM 657 OE1 GLU A 44 0.019 12.362 10.738 1.00 0.00 O ATOM 658 OE2 GLU A 44 -0.147 10.432 9.749 1.00 0.00 O ATOM 0 H GLU A 44 -4.439 12.425 13.997 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.443 10.212 13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.332 11.548 11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.020 12.586 12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.807 10.185 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.972 9.855 11.150 1.00 0.00 H new ATOM 665 N TRP A 45 -0.666 12.349 14.383 1.00 0.00 N ATOM 666 CA TRP A 45 0.284 12.978 15.288 1.00 0.00 C ATOM 667 C TRP A 45 0.061 14.488 15.327 1.00 0.00 C ATOM 668 O TRP A 45 0.406 15.150 16.303 1.00 0.00 O ATOM 669 CB TRP A 45 1.724 12.611 14.928 1.00 0.00 C ATOM 670 CG TRP A 45 2.487 11.929 16.009 1.00 0.00 C ATOM 671 CD1 TRP A 45 2.178 10.751 16.631 1.00 0.00 C ATOM 672 CD2 TRP A 45 3.682 12.412 16.644 1.00 0.00 C ATOM 673 NE1 TRP A 45 3.109 10.465 17.602 1.00 0.00 N ATOM 674 CE2 TRP A 45 4.039 11.466 17.631 1.00 0.00 C ATOM 675 CE3 TRP A 45 4.469 13.543 16.463 1.00 0.00 C ATOM 676 CZ2 TRP A 45 5.154 11.627 18.442 1.00 0.00 C ATOM 677 CZ3 TRP A 45 5.581 13.701 17.266 1.00 0.00 C ATOM 678 CH2 TRP A 45 5.919 12.765 18.239 1.00 0.00 C ATOM 0 H TRP A 45 -0.275 12.097 13.475 1.00 0.00 H new ATOM 0 HA TRP A 45 0.111 12.595 16.294 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.710 11.965 14.050 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.255 13.520 14.646 1.00 0.00 H new ATOM 0 HD1 TRP A 45 1.325 10.133 16.394 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.106 9.640 18.202 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.217 14.279 15.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.414 10.899 19.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.204 14.573 17.136 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.795 12.929 18.848 1.00 0.00 H new ATOM 689 N ARG A 46 -0.382 15.026 14.197 1.00 0.00 N ATOM 690 CA ARG A 46 -0.460 16.467 14.007 1.00 0.00 C ATOM 691 C ARG A 46 -1.406 17.088 15.031 1.00 0.00 C ATOM 692 O ARG A 46 -1.292 18.268 15.359 1.00 0.00 O ATOM 693 CB ARG A 46 -0.922 16.829 12.588 1.00 0.00 C ATOM 694 CG ARG A 46 -2.330 16.367 12.243 1.00 0.00 C ATOM 695 CD ARG A 46 -3.341 17.428 12.518 1.00 0.00 C ATOM 696 NE ARG A 46 -3.029 18.673 11.831 1.00 0.00 N ATOM 697 CZ ARG A 46 -3.488 19.862 12.228 1.00 0.00 C ATOM 698 NH1 ARG A 46 -4.103 20.014 13.396 1.00 0.00 N ATOM 699 NH2 ARG A 46 -3.276 20.930 11.459 1.00 0.00 N ATOM 0 H ARG A 46 -0.694 14.480 13.394 1.00 0.00 H new ATOM 0 HA ARG A 46 0.543 16.869 14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.869 17.911 12.468 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.225 16.394 11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.373 16.087 11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.572 15.475 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.326 17.079 12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.392 17.610 13.592 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.430 18.635 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.233 19.212 14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.445 20.933 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.769 20.833 10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.621 21.845 11.750 1.00 0.00 H new ATOM 713 N ALA A 47 -2.176 16.222 15.684 1.00 0.00 N ATOM 714 CA ALA A 47 -3.163 16.664 16.660 1.00 0.00 C ATOM 715 C ALA A 47 -3.170 15.730 17.867 1.00 0.00 C ATOM 716 O ALA A 47 -3.787 14.666 17.834 1.00 0.00 O ATOM 717 CB ALA A 47 -4.546 16.740 16.018 1.00 0.00 C ATOM 0 H ALA A 47 -2.134 15.211 15.554 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.894 17.662 17.006 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.273 17.072 16.759 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.524 17.448 15.189 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.829 15.755 15.647 1.00 0.00 H new ATOM 723 N PHE A 48 -2.617 16.222 18.970 1.00 0.00 N ATOM 724 CA PHE A 48 -2.743 15.558 20.259 1.00 0.00 C ATOM 725 C PHE A 48 -3.603 16.393 21.204 1.00 0.00 C ATOM 726 O PHE A 48 -4.388 15.855 21.982 1.00 0.00 O ATOM 727 CB PHE A 48 -1.384 15.266 20.943 1.00 0.00 C ATOM 728 CG PHE A 48 -0.597 16.517 21.211 1.00 0.00 C ATOM 729 CD1 PHE A 48 -0.105 17.212 20.104 1.00 0.00 C ATOM 730 CD2 PHE A 48 -0.296 16.972 22.494 1.00 0.00 C ATOM 731 CE1 PHE A 48 0.609 18.390 20.261 1.00 0.00 C ATOM 732 CE2 PHE A 48 0.429 18.154 22.677 1.00 0.00 C ATOM 733 CZ PHE A 48 0.851 18.877 21.548 1.00 0.00 C ATOM 0 H PHE A 48 -2.074 17.085 18.995 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.215 14.597 20.053 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.559 14.742 21.883 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.798 14.600 20.310 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.283 16.826 19.111 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.625 16.407 23.354 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.974 18.926 19.397 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.661 18.506 23.671 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.367 19.817 21.676 1.00 0.00 H new ATOM 743 N ASP A 49 -3.555 17.707 21.005 1.00 0.00 N ATOM 744 CA ASP A 49 -4.483 18.620 21.656 1.00 0.00 C ATOM 745 C ASP A 49 -4.243 18.638 23.163 1.00 0.00 C ATOM 746 O ASP A 49 -3.143 18.342 23.628 1.00 0.00 O ATOM 747 CB ASP A 49 -5.929 18.334 21.257 1.00 0.00 C ATOM 748 CG ASP A 49 -6.538 19.420 20.391 1.00 0.00 C ATOM 749 OD1 ASP A 49 -5.773 19.965 19.566 1.00 0.00 O ATOM 750 OD2 ASP A 49 -7.735 19.725 20.505 1.00 0.00 O ATOM 0 H ASP A 49 -2.878 18.163 20.394 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.291 19.634 21.304 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.970 17.386 20.721 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.531 18.217 22.158 1.00 0.00 H new ATOM 755 N ALA A 50 -5.238 19.129 23.892 1.00 0.00 N ATOM 756 CA ALA A 50 -5.083 19.421 25.311 1.00 0.00 C ATOM 757 C ALA A 50 -4.004 20.481 25.518 1.00 0.00 C ATOM 758 O ALA A 50 -4.311 21.681 25.478 1.00 0.00 O ATOM 759 CB ALA A 50 -4.754 18.146 26.081 1.00 0.00 C ATOM 760 OXT ALA A 50 -2.809 20.146 25.504 1.00 0.00 O ATOM 0 H ALA A 50 -6.166 19.334 23.521 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.024 19.815 25.695 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.641 18.379 27.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.561 17.425 25.952 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.824 17.722 25.702 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.256 -7.307 -5.196 1.00 0.00 ZN