USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=5 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+ 161:sc= -0.0253 (180deg=-0.279) USER MOD Single : A 3 ASN : amide:sc= -0.666 K(o=-0.67,f=-4.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00789 X(o=-0.0079,f=-0.056) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -101:sc= -0.692 USER MOD Single : A 18 TYR OH : rot -15:sc= -0.0565 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= -1.66 K(o=-1.7,f=-1) USER MOD Single : A 41 MET CE :methyl -146:sc= -0.112 (180deg=-0.926) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.653 -21.591 2.797 1.00 0.00 N ATOM 2 CA MET A 1 -2.674 -20.743 2.158 1.00 0.00 C ATOM 3 C MET A 1 -2.138 -19.327 1.992 1.00 0.00 C ATOM 4 O MET A 1 -0.967 -19.058 2.251 1.00 0.00 O ATOM 5 CB MET A 1 -3.972 -20.782 2.954 1.00 0.00 C ATOM 6 CG MET A 1 -3.709 -20.617 4.430 1.00 0.00 C ATOM 7 SD MET A 1 -5.332 -20.518 5.266 1.00 0.00 S ATOM 8 CE MET A 1 -5.537 -18.732 5.338 1.00 0.00 C ATOM 0 H1 MET A 1 -2.106 -22.437 3.198 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.947 -21.878 2.089 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.184 -21.057 3.556 1.00 0.00 H new ATOM 0 HA MET A 1 -2.900 -21.128 1.164 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.637 -19.991 2.609 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.483 -21.728 2.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.130 -21.458 4.813 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.125 -19.716 4.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.484 -18.494 5.822 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.718 -18.294 5.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.534 -18.324 4.327 1.00 0.00 H new ATOM 20 N VAL A 2 -2.972 -18.469 1.410 1.00 0.00 N ATOM 21 CA VAL A 2 -2.601 -17.086 1.160 1.00 0.00 C ATOM 22 C VAL A 2 -3.817 -16.285 0.700 1.00 0.00 C ATOM 23 O VAL A 2 -4.002 -15.137 1.103 1.00 0.00 O ATOM 24 CB VAL A 2 -1.416 -17.012 0.176 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.814 -17.384 -1.247 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.741 -15.651 0.212 1.00 0.00 C ATOM 0 H VAL A 2 -3.914 -18.713 1.103 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.259 -16.628 2.088 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.694 -17.756 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.943 -17.315 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.199 -18.404 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.585 -16.700 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.089 -15.638 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.462 -14.880 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.365 -15.458 1.217 1.00 0.00 H new ATOM 36 N ASN A 3 -4.740 -16.983 0.046 1.00 0.00 N ATOM 37 CA ASN A 3 -6.050 -16.435 -0.268 1.00 0.00 C ATOM 38 C ASN A 3 -5.934 -15.367 -1.353 1.00 0.00 C ATOM 39 O ASN A 3 -6.025 -15.667 -2.542 1.00 0.00 O ATOM 40 CB ASN A 3 -6.788 -15.974 0.986 1.00 0.00 C ATOM 41 CG ASN A 3 -8.209 -15.519 0.715 1.00 0.00 C ATOM 42 OD1 ASN A 3 -8.576 -15.240 -0.437 1.00 0.00 O ATOM 43 ND2 ASN A 3 -8.994 -15.368 1.780 1.00 0.00 N ATOM 0 H ASN A 3 -4.600 -17.940 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.675 -17.226 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.807 -16.790 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.233 -15.155 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.942 -15.009 1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.647 -15.611 2.708 1.00 0.00 H new ATOM 50 N LYS A 4 -5.919 -14.111 -0.916 1.00 0.00 N ATOM 51 CA LYS A 4 -6.087 -12.978 -1.816 1.00 0.00 C ATOM 52 C LYS A 4 -4.892 -12.866 -2.758 1.00 0.00 C ATOM 53 O LYS A 4 -3.902 -13.582 -2.610 1.00 0.00 O ATOM 54 CB LYS A 4 -6.243 -11.663 -1.051 1.00 0.00 C ATOM 55 CG LYS A 4 -5.021 -11.285 -0.211 1.00 0.00 C ATOM 56 CD LYS A 4 -4.650 -9.818 -0.326 1.00 0.00 C ATOM 57 CE LYS A 4 -4.815 -9.039 0.910 1.00 0.00 C ATOM 58 NZ LYS A 4 -3.650 -8.152 1.154 1.00 0.00 N ATOM 0 H LYS A 4 -5.791 -13.853 0.063 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.997 -13.156 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.444 -10.862 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.112 -11.735 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.218 -11.523 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.172 -11.894 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.611 -9.745 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.259 -9.364 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.723 -8.439 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.941 -9.717 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.799 -7.617 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.788 -8.727 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.546 -7.489 0.359 1.00 0.00 H new ATOM 72 N GLN A 5 -5.058 -12.051 -3.793 1.00 0.00 N ATOM 73 CA GLN A 5 -4.096 -11.986 -4.886 1.00 0.00 C ATOM 74 C GLN A 5 -3.481 -10.595 -4.972 1.00 0.00 C ATOM 75 O GLN A 5 -3.907 -9.762 -5.771 1.00 0.00 O ATOM 76 CB GLN A 5 -4.700 -12.407 -6.228 1.00 0.00 C ATOM 77 CG GLN A 5 -3.671 -12.611 -7.324 1.00 0.00 C ATOM 78 CD GLN A 5 -4.013 -13.750 -8.251 1.00 0.00 C ATOM 79 OE1 GLN A 5 -4.183 -14.895 -7.841 1.00 0.00 O ATOM 80 NE2 GLN A 5 -4.063 -13.433 -9.543 1.00 0.00 N ATOM 0 H GLN A 5 -5.855 -11.423 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.307 -12.705 -4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.259 -13.333 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.414 -11.648 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.580 -11.693 -7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.698 -12.799 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.915 -12.468 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.249 -14.156 -10.239 1.00 0.00 H new ATOM 89 N LYS A 6 -2.609 -10.299 -4.012 1.00 0.00 N ATOM 90 CA LYS A 6 -1.841 -9.061 -4.036 1.00 0.00 C ATOM 91 C LYS A 6 -0.347 -9.367 -4.107 1.00 0.00 C ATOM 92 O LYS A 6 0.181 -10.112 -3.282 1.00 0.00 O ATOM 93 CB LYS A 6 -2.112 -8.199 -2.802 1.00 0.00 C ATOM 94 CG LYS A 6 -2.350 -6.721 -3.118 1.00 0.00 C ATOM 95 CD LYS A 6 -3.819 -6.375 -3.277 1.00 0.00 C ATOM 96 CE LYS A 6 -4.452 -6.910 -4.493 1.00 0.00 C ATOM 97 NZ LYS A 6 -5.902 -6.593 -4.534 1.00 0.00 N ATOM 0 H LYS A 6 -2.418 -10.899 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.154 -8.507 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.983 -8.594 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.266 -8.283 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.924 -6.112 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.821 -6.462 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.361 -6.748 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.924 -5.290 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.962 -6.494 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.313 -7.990 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.318 -6.984 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.372 -7.011 -3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.032 -5.561 -4.521 1.00 0.00 H new ATOM 111 N VAL A 7 0.272 -8.935 -5.201 1.00 0.00 N ATOM 112 CA VAL A 7 1.610 -9.384 -5.560 1.00 0.00 C ATOM 113 C VAL A 7 2.588 -8.203 -5.536 1.00 0.00 C ATOM 114 O VAL A 7 2.164 -7.052 -5.667 1.00 0.00 O ATOM 115 CB VAL A 7 1.590 -10.127 -6.910 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.602 -11.289 -6.924 1.00 0.00 C ATOM 117 CG2 VAL A 7 1.327 -9.183 -8.073 1.00 0.00 C ATOM 0 H VAL A 7 -0.136 -8.270 -5.858 1.00 0.00 H new ATOM 0 HA VAL A 7 1.964 -10.102 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 7 2.587 -10.548 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.628 -11.777 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.874 -12.007 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.404 -10.914 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.321 -9.747 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.361 -8.698 -7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.111 -8.426 -8.112 1.00 0.00 H new ATOM 127 N CYS A 8 3.866 -8.523 -5.709 1.00 0.00 N ATOM 128 CA CYS A 8 4.854 -7.560 -6.188 1.00 0.00 C ATOM 129 C CYS A 8 4.786 -7.502 -7.734 1.00 0.00 C ATOM 130 O CYS A 8 5.345 -8.370 -8.426 1.00 0.00 O ATOM 131 CB CYS A 8 6.253 -7.930 -5.722 1.00 0.00 C ATOM 132 SG CYS A 8 7.513 -6.656 -5.992 1.00 0.00 S ATOM 0 H CYS A 8 4.246 -9.451 -5.523 1.00 0.00 H new ATOM 0 HA CYS A 8 4.627 -6.577 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.215 -8.163 -4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.562 -8.840 -6.236 1.00 0.00 H new ATOM 137 N PRO A 9 4.443 -6.288 -8.226 1.00 0.00 N ATOM 138 CA PRO A 9 4.546 -5.952 -9.668 1.00 0.00 C ATOM 139 C PRO A 9 5.979 -5.926 -10.193 1.00 0.00 C ATOM 140 O PRO A 9 6.208 -5.703 -11.381 1.00 0.00 O ATOM 141 CB PRO A 9 3.820 -4.627 -9.860 1.00 0.00 C ATOM 142 CG PRO A 9 3.405 -4.103 -8.517 1.00 0.00 C ATOM 143 CD PRO A 9 3.629 -5.241 -7.536 1.00 0.00 C ATOM 0 HA PRO A 9 4.080 -6.737 -10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.470 -3.910 -10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.947 -4.764 -10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.994 -3.228 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.360 -3.794 -8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.145 -4.881 -6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.676 -5.654 -7.207 1.00 0.00 H new ATOM 151 N ALA A 10 6.927 -5.997 -9.266 1.00 0.00 N ATOM 152 CA ALA A 10 8.331 -5.775 -9.579 1.00 0.00 C ATOM 153 C ALA A 10 9.044 -7.107 -9.796 1.00 0.00 C ATOM 154 O ALA A 10 9.435 -7.436 -10.913 1.00 0.00 O ATOM 155 CB ALA A 10 9.000 -4.966 -8.472 1.00 0.00 C ATOM 0 H ALA A 10 6.745 -6.208 -8.285 1.00 0.00 H new ATOM 0 HA ALA A 10 8.399 -5.202 -10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.050 -4.808 -8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.501 -4.002 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.928 -5.509 -7.530 1.00 0.00 H new ATOM 161 N CYS A 11 9.300 -7.808 -8.694 1.00 0.00 N ATOM 162 CA CYS A 11 10.219 -8.935 -8.700 1.00 0.00 C ATOM 163 C CYS A 11 9.523 -10.223 -9.122 1.00 0.00 C ATOM 164 O CYS A 11 10.141 -11.295 -9.120 1.00 0.00 O ATOM 165 CB CYS A 11 10.971 -9.060 -7.385 1.00 0.00 C ATOM 166 SG CYS A 11 9.976 -9.416 -5.922 1.00 0.00 S ATOM 0 H CYS A 11 8.881 -7.612 -7.785 1.00 0.00 H new ATOM 0 HA CYS A 11 10.978 -8.740 -9.457 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.716 -9.848 -7.491 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.513 -8.130 -7.212 1.00 0.00 H new ATOM 171 N GLU A 12 8.200 -10.164 -9.210 1.00 0.00 N ATOM 172 CA GLU A 12 7.353 -11.354 -9.185 1.00 0.00 C ATOM 173 C GLU A 12 7.559 -12.120 -7.880 1.00 0.00 C ATOM 174 O GLU A 12 7.767 -13.334 -7.875 1.00 0.00 O ATOM 175 CB GLU A 12 7.668 -12.186 -10.416 1.00 0.00 C ATOM 176 CG GLU A 12 6.799 -13.398 -10.632 1.00 0.00 C ATOM 177 CD GLU A 12 6.495 -13.793 -12.050 1.00 0.00 C ATOM 178 OE1 GLU A 12 7.501 -14.247 -12.636 1.00 0.00 O ATOM 179 OE2 GLU A 12 5.437 -13.561 -12.610 1.00 0.00 O ATOM 0 H GLU A 12 7.682 -9.290 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 12 6.297 -11.085 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.588 -11.545 -11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.706 -12.514 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.278 -14.246 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.852 -13.228 -10.120 1.00 0.00 H new ATOM 186 N SER A 13 7.287 -11.434 -6.771 1.00 0.00 N ATOM 187 CA SER A 13 7.025 -12.093 -5.495 1.00 0.00 C ATOM 188 C SER A 13 5.523 -12.173 -5.242 1.00 0.00 C ATOM 189 O SER A 13 4.739 -11.457 -5.862 1.00 0.00 O ATOM 190 CB SER A 13 7.744 -11.398 -4.349 1.00 0.00 C ATOM 191 OG SER A 13 7.376 -10.034 -4.255 1.00 0.00 O ATOM 0 H SER A 13 7.242 -10.416 -6.732 1.00 0.00 H new ATOM 0 HA SER A 13 7.419 -13.108 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.511 -11.904 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.822 -11.476 -4.494 1.00 0.00 H new ATOM 0 HG SER A 13 8.080 -9.477 -4.648 1.00 0.00 H new ATOM 197 N ALA A 14 5.157 -12.971 -4.246 1.00 0.00 N ATOM 198 CA ALA A 14 3.775 -13.053 -3.792 1.00 0.00 C ATOM 199 C ALA A 14 3.590 -12.411 -2.419 1.00 0.00 C ATOM 200 O ALA A 14 2.470 -12.318 -1.914 1.00 0.00 O ATOM 201 CB ALA A 14 3.327 -14.510 -3.764 1.00 0.00 C ATOM 0 H ALA A 14 5.802 -13.573 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 14 3.155 -12.497 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.293 -14.566 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.403 -14.933 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.964 -15.074 -3.083 1.00 0.00 H new ATOM 207 N GLU A 15 4.702 -12.020 -1.812 1.00 0.00 N ATOM 208 CA GLU A 15 4.711 -11.630 -0.407 1.00 0.00 C ATOM 209 C GLU A 15 4.922 -10.120 -0.284 1.00 0.00 C ATOM 210 O GLU A 15 6.055 -9.655 -0.175 1.00 0.00 O ATOM 211 CB GLU A 15 5.820 -12.410 0.287 1.00 0.00 C ATOM 212 CG GLU A 15 5.503 -13.842 0.626 1.00 0.00 C ATOM 213 CD GLU A 15 4.551 -14.097 1.761 1.00 0.00 C ATOM 214 OE1 GLU A 15 3.358 -14.015 1.398 1.00 0.00 O ATOM 215 OE2 GLU A 15 4.896 -14.484 2.864 1.00 0.00 O ATOM 0 H GLU A 15 5.611 -11.964 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 15 3.757 -11.860 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.703 -12.395 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.083 -11.889 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.095 -14.316 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.441 -14.348 0.855 1.00 0.00 H new ATOM 222 N LEU A 16 3.818 -9.409 -0.088 1.00 0.00 N ATOM 223 CA LEU A 16 3.861 -8.009 0.310 1.00 0.00 C ATOM 224 C LEU A 16 3.505 -7.865 1.787 1.00 0.00 C ATOM 225 O LEU A 16 3.266 -8.852 2.478 1.00 0.00 O ATOM 226 CB LEU A 16 2.936 -7.221 -0.630 1.00 0.00 C ATOM 227 CG LEU A 16 3.159 -7.398 -2.122 1.00 0.00 C ATOM 228 CD1 LEU A 16 2.237 -6.490 -2.924 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.616 -7.079 -2.440 1.00 0.00 C ATOM 0 H LEU A 16 2.876 -9.783 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 16 4.866 -7.598 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.907 -7.500 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.037 -6.161 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 16 2.932 -8.428 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.418 -6.637 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.199 -6.732 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.433 -5.450 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.790 -7.202 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.834 -6.050 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.266 -7.756 -1.886 1.00 0.00 H new ATOM 241 N ILE A 17 3.613 -6.636 2.279 1.00 0.00 N ATOM 242 CA ILE A 17 3.519 -6.361 3.704 1.00 0.00 C ATOM 243 C ILE A 17 3.232 -4.881 3.944 1.00 0.00 C ATOM 244 O ILE A 17 3.782 -4.017 3.265 1.00 0.00 O ATOM 245 CB ILE A 17 4.835 -6.826 4.438 1.00 0.00 C ATOM 246 CG1 ILE A 17 6.063 -6.375 3.608 1.00 0.00 C ATOM 247 CG2 ILE A 17 4.851 -8.341 4.729 1.00 0.00 C ATOM 248 CD1 ILE A 17 7.420 -6.913 4.125 1.00 0.00 C ATOM 0 H ILE A 17 3.767 -5.808 1.704 1.00 0.00 H new ATOM 0 HA ILE A 17 2.688 -6.929 4.122 1.00 0.00 H new ATOM 0 HB ILE A 17 4.873 -6.349 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.927 -6.699 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.099 -5.286 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.780 -8.605 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.005 -8.598 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.780 -8.892 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.224 -6.548 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.583 -6.567 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.409 -8.003 4.108 1.00 0.00 H new ATOM 260 N TYR A 18 2.258 -4.624 4.808 1.00 0.00 N ATOM 261 CA TYR A 18 1.728 -3.281 4.997 1.00 0.00 C ATOM 262 C TYR A 18 2.512 -2.548 6.082 1.00 0.00 C ATOM 263 O TYR A 18 3.002 -3.167 7.027 1.00 0.00 O ATOM 264 CB TYR A 18 0.224 -3.321 5.339 1.00 0.00 C ATOM 265 CG TYR A 18 -0.484 -1.995 5.183 1.00 0.00 C ATOM 266 CD1 TYR A 18 -0.191 -0.933 6.037 1.00 0.00 C ATOM 267 CD2 TYR A 18 -1.476 -1.807 4.217 1.00 0.00 C ATOM 268 CE1 TYR A 18 -0.872 0.277 5.951 1.00 0.00 C ATOM 269 CE2 TYR A 18 -2.155 -0.594 4.103 1.00 0.00 C ATOM 270 CZ TYR A 18 -1.854 0.443 4.984 1.00 0.00 C ATOM 271 OH TYR A 18 -2.475 1.658 4.903 1.00 0.00 O ATOM 0 H TYR A 18 1.817 -5.334 5.392 1.00 0.00 H new ATOM 0 HA TYR A 18 1.841 -2.735 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.263 -4.057 4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.106 -3.664 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.582 -1.052 6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.722 -2.617 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.638 1.082 6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.907 -0.460 3.339 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.291 2.174 5.715 1.00 0.00 H new ATOM 281 N ASP A 19 2.835 -1.291 5.793 1.00 0.00 N ATOM 282 CA ASP A 19 3.631 -0.473 6.690 1.00 0.00 C ATOM 283 C ASP A 19 2.732 0.576 7.377 1.00 0.00 C ATOM 284 O ASP A 19 2.441 1.645 6.819 1.00 0.00 O ATOM 285 CB ASP A 19 4.847 0.128 5.997 1.00 0.00 C ATOM 286 CG ASP A 19 6.157 -0.514 6.414 1.00 0.00 C ATOM 287 OD1 ASP A 19 6.179 -1.764 6.435 1.00 0.00 O ATOM 288 OD2 ASP A 19 7.156 0.180 6.652 1.00 0.00 O ATOM 0 H ASP A 19 2.553 -0.817 4.935 1.00 0.00 H new ATOM 0 HA ASP A 19 4.045 -1.110 7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.728 0.026 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.889 1.195 6.214 1.00 0.00 H new ATOM 293 N PRO A 20 2.225 0.206 8.570 1.00 0.00 N ATOM 294 CA PRO A 20 1.222 1.021 9.299 1.00 0.00 C ATOM 295 C PRO A 20 1.741 2.396 9.717 1.00 0.00 C ATOM 296 O PRO A 20 0.997 3.202 10.274 1.00 0.00 O ATOM 297 CB PRO A 20 0.754 0.182 10.482 1.00 0.00 C ATOM 298 CG PRO A 20 1.346 -1.191 10.360 1.00 0.00 C ATOM 299 CD PRO A 20 2.435 -1.079 9.301 1.00 0.00 C ATOM 0 HA PRO A 20 0.386 1.257 8.640 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.062 0.645 11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.334 0.125 10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.759 -1.525 11.312 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.589 -1.919 10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.422 -1.099 9.763 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.388 -1.923 8.613 1.00 0.00 H new ATOM 307 N GLU A 21 3.066 2.518 9.702 1.00 0.00 N ATOM 308 CA GLU A 21 3.729 3.737 10.149 1.00 0.00 C ATOM 309 C GLU A 21 3.437 4.880 9.178 1.00 0.00 C ATOM 310 O GLU A 21 2.893 5.911 9.571 1.00 0.00 O ATOM 311 CB GLU A 21 5.223 3.449 10.244 1.00 0.00 C ATOM 312 CG GLU A 21 5.726 3.037 11.601 1.00 0.00 C ATOM 313 CD GLU A 21 6.663 3.975 12.313 1.00 0.00 C ATOM 314 OE1 GLU A 21 7.237 4.902 11.770 1.00 0.00 O ATOM 315 OE2 GLU A 21 6.651 3.797 13.550 1.00 0.00 O ATOM 0 H GLU A 21 3.701 1.786 9.384 1.00 0.00 H new ATOM 0 HA GLU A 21 3.358 4.045 11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.468 2.661 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.766 4.341 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.861 2.874 12.244 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.230 2.076 11.495 1.00 0.00 H new ATOM 322 N ARG A 22 3.554 4.565 7.890 1.00 0.00 N ATOM 323 CA ARG A 22 3.329 5.550 6.842 1.00 0.00 C ATOM 324 C ARG A 22 1.944 5.367 6.227 1.00 0.00 C ATOM 325 O ARG A 22 1.456 6.236 5.508 1.00 0.00 O ATOM 326 CB ARG A 22 4.399 5.465 5.744 1.00 0.00 C ATOM 327 CG ARG A 22 5.714 6.148 6.087 1.00 0.00 C ATOM 328 CD ARG A 22 6.747 5.166 6.527 1.00 0.00 C ATOM 329 NE ARG A 22 7.976 5.278 5.756 1.00 0.00 N ATOM 330 CZ ARG A 22 8.798 6.327 5.838 1.00 0.00 C ATOM 331 NH1 ARG A 22 8.451 7.433 6.489 1.00 0.00 N ATOM 332 NH2 ARG A 22 9.973 6.283 5.209 1.00 0.00 N ATOM 0 H ARG A 22 3.803 3.636 7.550 1.00 0.00 H new ATOM 0 HA ARG A 22 3.394 6.536 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.596 4.415 5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.001 5.910 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.078 6.694 5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.548 6.881 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.967 5.322 7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.350 4.156 6.430 1.00 0.00 H new ATOM 0 HE ARG A 22 8.222 4.518 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.538 7.494 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.097 8.221 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.234 5.455 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.611 7.077 5.263 1.00 0.00 H new ATOM 346 N GLY A 23 1.407 4.162 6.385 1.00 0.00 N ATOM 347 CA GLY A 23 0.211 3.749 5.665 1.00 0.00 C ATOM 348 C GLY A 23 0.584 3.161 4.307 1.00 0.00 C ATOM 349 O GLY A 23 -0.017 3.496 3.288 1.00 0.00 O ATOM 0 H GLY A 23 1.786 3.451 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.337 3.010 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.452 4.603 5.529 1.00 0.00 H new ATOM 353 N GLU A 24 1.653 2.373 4.301 1.00 0.00 N ATOM 354 CA GLU A 24 2.272 1.923 3.059 1.00 0.00 C ATOM 355 C GLU A 24 1.916 0.456 2.802 1.00 0.00 C ATOM 356 O GLU A 24 1.551 -0.269 3.726 1.00 0.00 O ATOM 357 CB GLU A 24 3.777 2.118 3.190 1.00 0.00 C ATOM 358 CG GLU A 24 4.521 2.367 1.905 1.00 0.00 C ATOM 359 CD GLU A 24 4.936 3.779 1.602 1.00 0.00 C ATOM 360 OE1 GLU A 24 5.841 4.360 2.175 1.00 0.00 O ATOM 361 OE2 GLU A 24 4.354 4.232 0.592 1.00 0.00 O ATOM 0 H GLU A 24 2.111 2.031 5.146 1.00 0.00 H new ATOM 0 HA GLU A 24 1.906 2.499 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.958 2.958 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.199 1.233 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.418 1.748 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.897 2.017 1.083 1.00 0.00 H new ATOM 368 N ILE A 25 2.236 -0.002 1.597 1.00 0.00 N ATOM 369 CA ILE A 25 2.297 -1.428 1.303 1.00 0.00 C ATOM 370 C ILE A 25 3.522 -1.740 0.446 1.00 0.00 C ATOM 371 O ILE A 25 3.709 -1.151 -0.618 1.00 0.00 O ATOM 372 CB ILE A 25 0.965 -1.902 0.611 1.00 0.00 C ATOM 373 CG1 ILE A 25 -0.247 -1.270 1.346 1.00 0.00 C ATOM 374 CG2 ILE A 25 0.853 -3.440 0.526 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.621 0.150 0.855 1.00 0.00 C ATOM 0 H ILE A 25 2.459 0.599 0.803 1.00 0.00 H new ATOM 0 HA ILE A 25 2.397 -1.981 2.237 1.00 0.00 H new ATOM 0 HB ILE A 25 0.974 -1.556 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.111 -1.923 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.028 -1.227 2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.085 -3.710 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.688 -3.834 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.876 -3.863 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.477 0.517 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.226 0.821 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.875 0.114 -0.204 1.00 0.00 H new ATOM 387 N VAL A 26 4.431 -2.520 1.020 1.00 0.00 N ATOM 388 CA VAL A 26 5.745 -2.736 0.434 1.00 0.00 C ATOM 389 C VAL A 26 5.908 -4.205 0.035 1.00 0.00 C ATOM 390 O VAL A 26 5.206 -5.071 0.558 1.00 0.00 O ATOM 391 CB VAL A 26 6.857 -2.242 1.380 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.211 -2.133 0.687 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.487 -0.929 2.053 1.00 0.00 C ATOM 0 H VAL A 26 4.278 -3.016 1.898 1.00 0.00 H new ATOM 0 HA VAL A 26 5.836 -2.145 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 26 6.952 -3.003 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.957 -1.781 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.505 -3.111 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.140 -1.429 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.298 -0.616 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.321 -0.165 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.577 -1.064 2.637 1.00 0.00 H new ATOM 403 N CYS A 27 7.013 -4.478 -0.646 1.00 0.00 N ATOM 404 CA CYS A 27 7.479 -5.845 -0.859 1.00 0.00 C ATOM 405 C CYS A 27 8.165 -6.365 0.401 1.00 0.00 C ATOM 406 O CYS A 27 8.889 -5.630 1.072 1.00 0.00 O ATOM 407 CB CYS A 27 8.392 -5.916 -2.076 1.00 0.00 C ATOM 408 SG CYS A 27 8.781 -7.587 -2.652 1.00 0.00 S ATOM 0 H CYS A 27 7.609 -3.764 -1.065 1.00 0.00 H new ATOM 0 HA CYS A 27 6.623 -6.489 -1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.924 -5.367 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.325 -5.404 -1.841 1.00 0.00 H new ATOM 413 N ALA A 28 8.092 -7.680 0.583 1.00 0.00 N ATOM 414 CA ALA A 28 8.853 -8.361 1.620 1.00 0.00 C ATOM 415 C ALA A 28 10.172 -8.884 1.053 1.00 0.00 C ATOM 416 O ALA A 28 10.731 -9.854 1.563 1.00 0.00 O ATOM 417 CB ALA A 28 8.029 -9.495 2.223 1.00 0.00 C ATOM 0 H ALA A 28 7.508 -8.298 0.020 1.00 0.00 H new ATOM 0 HA ALA A 28 9.083 -7.650 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.611 -9.996 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.117 -9.089 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.770 -10.211 1.443 1.00 0.00 H new ATOM 423 N LYS A 29 10.500 -8.399 -0.141 1.00 0.00 N ATOM 424 CA LYS A 29 11.674 -8.862 -0.864 1.00 0.00 C ATOM 425 C LYS A 29 12.518 -7.679 -1.329 1.00 0.00 C ATOM 426 O LYS A 29 13.589 -7.418 -0.780 1.00 0.00 O ATOM 427 CB LYS A 29 11.302 -9.715 -2.077 1.00 0.00 C ATOM 428 CG LYS A 29 12.028 -11.060 -2.136 1.00 0.00 C ATOM 429 CD LYS A 29 11.559 -12.037 -1.074 1.00 0.00 C ATOM 430 CE LYS A 29 10.924 -13.259 -1.593 1.00 0.00 C ATOM 431 NZ LYS A 29 11.897 -14.377 -1.693 1.00 0.00 N ATOM 0 H LYS A 29 9.964 -7.681 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 29 12.247 -9.479 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.227 -9.894 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.523 -9.154 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.879 -11.504 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.099 -10.893 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.414 -12.322 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.852 -11.528 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.101 -13.549 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.496 -13.059 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.417 -15.223 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.669 -14.109 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.287 -14.583 -0.751 1.00 0.00 H new ATOM 445 N CYS A 30 12.092 -7.053 -2.424 1.00 0.00 N ATOM 446 CA CYS A 30 12.992 -6.228 -3.228 1.00 0.00 C ATOM 447 C CYS A 30 13.105 -4.818 -2.670 1.00 0.00 C ATOM 448 O CYS A 30 13.852 -3.991 -3.204 1.00 0.00 O ATOM 449 CB CYS A 30 12.615 -6.261 -4.700 1.00 0.00 C ATOM 450 SG CYS A 30 10.972 -5.625 -5.107 1.00 0.00 S ATOM 0 H CYS A 30 11.135 -7.100 -2.774 1.00 0.00 H new ATOM 0 HA CYS A 30 13.991 -6.660 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.355 -5.687 -5.258 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.682 -7.291 -5.050 1.00 0.00 H new ATOM 455 N GLY A 31 12.172 -4.480 -1.777 1.00 0.00 N ATOM 456 CA GLY A 31 12.149 -3.160 -1.166 1.00 0.00 C ATOM 457 C GLY A 31 10.968 -2.331 -1.678 1.00 0.00 C ATOM 458 O GLY A 31 10.899 -1.127 -1.403 1.00 0.00 O ATOM 0 H GLY A 31 11.427 -5.103 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.084 -3.259 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.082 -2.640 -1.383 1.00 0.00 H new ATOM 462 N TYR A 32 10.328 -2.868 -2.715 1.00 0.00 N ATOM 463 CA TYR A 32 9.412 -2.105 -3.548 1.00 0.00 C ATOM 464 C TYR A 32 8.137 -1.780 -2.769 1.00 0.00 C ATOM 465 O TYR A 32 7.337 -2.669 -2.485 1.00 0.00 O ATOM 466 CB TYR A 32 9.080 -2.864 -4.850 1.00 0.00 C ATOM 467 CG TYR A 32 8.077 -2.167 -5.742 1.00 0.00 C ATOM 468 CD1 TYR A 32 8.504 -1.244 -6.698 1.00 0.00 C ATOM 469 CD2 TYR A 32 6.721 -2.499 -5.711 1.00 0.00 C ATOM 470 CE1 TYR A 32 7.612 -0.655 -7.587 1.00 0.00 C ATOM 471 CE2 TYR A 32 5.811 -1.912 -6.589 1.00 0.00 C ATOM 472 CZ TYR A 32 6.270 -1.005 -7.543 1.00 0.00 C ATOM 473 OH TYR A 32 5.431 -0.449 -8.468 1.00 0.00 O ATOM 0 H TYR A 32 10.432 -3.842 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 32 9.899 -1.170 -3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.002 -3.018 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.695 -3.851 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.550 -0.982 -6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.370 -3.225 -4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.961 0.070 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.761 -2.157 -6.531 1.00 0.00 H new ATOM 0 HH TYR A 32 4.520 -0.781 -8.324 1.00 0.00 H new ATOM 483 N VAL A 33 7.881 -0.485 -2.602 1.00 0.00 N ATOM 484 CA VAL A 33 6.550 -0.009 -2.249 1.00 0.00 C ATOM 485 C VAL A 33 5.616 -0.125 -3.461 1.00 0.00 C ATOM 486 O VAL A 33 6.018 0.193 -4.581 1.00 0.00 O ATOM 487 CB VAL A 33 6.602 1.412 -1.662 1.00 0.00 C ATOM 488 CG1 VAL A 33 5.213 1.967 -1.352 1.00 0.00 C ATOM 489 CG2 VAL A 33 7.495 1.485 -0.434 1.00 0.00 C ATOM 0 H VAL A 33 8.579 0.252 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 33 6.140 -0.641 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 33 7.040 2.042 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.306 2.972 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.623 2.004 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.717 1.322 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.504 2.505 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.113 0.812 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.509 1.190 -0.703 1.00 0.00 H new ATOM 499 N ILE A 34 4.328 -0.222 -3.154 1.00 0.00 N ATOM 500 CA ILE A 34 3.271 0.036 -4.131 1.00 0.00 C ATOM 501 C ILE A 34 2.572 1.348 -3.794 1.00 0.00 C ATOM 502 O ILE A 34 2.707 2.339 -4.510 1.00 0.00 O ATOM 503 CB ILE A 34 2.291 -1.194 -4.173 1.00 0.00 C ATOM 504 CG1 ILE A 34 3.044 -2.402 -4.803 1.00 0.00 C ATOM 505 CG2 ILE A 34 0.955 -0.912 -4.885 1.00 0.00 C ATOM 506 CD1 ILE A 34 2.914 -3.721 -4.008 1.00 0.00 C ATOM 0 H ILE A 34 3.986 -0.480 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 34 3.687 0.149 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 34 1.999 -1.424 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.667 -2.562 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.100 -2.149 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.338 -1.810 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.433 -0.104 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.147 -0.621 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.468 -4.509 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.318 -3.583 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.863 -4.003 -3.940 1.00 0.00 H new ATOM 518 N GLU A 35 1.751 1.306 -2.750 1.00 0.00 N ATOM 519 CA GLU A 35 0.826 2.395 -2.454 1.00 0.00 C ATOM 520 C GLU A 35 1.303 3.167 -1.224 1.00 0.00 C ATOM 521 O GLU A 35 1.303 2.637 -0.115 1.00 0.00 O ATOM 522 CB GLU A 35 -0.555 1.790 -2.239 1.00 0.00 C ATOM 523 CG GLU A 35 -1.485 1.840 -3.422 1.00 0.00 C ATOM 524 CD GLU A 35 -1.464 3.079 -4.274 1.00 0.00 C ATOM 525 OE1 GLU A 35 -1.901 4.158 -3.917 1.00 0.00 O ATOM 526 OE2 GLU A 35 -0.834 2.904 -5.339 1.00 0.00 O ATOM 0 H GLU A 35 1.707 0.527 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 35 0.782 3.105 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.432 0.749 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.031 2.306 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.259 0.988 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.502 1.702 -3.055 1.00 0.00 H new ATOM 533 N GLU A 36 1.514 4.463 -1.418 1.00 0.00 N ATOM 534 CA GLU A 36 1.804 5.369 -0.315 1.00 0.00 C ATOM 535 C GLU A 36 0.519 6.053 0.155 1.00 0.00 C ATOM 536 O GLU A 36 -0.188 6.668 -0.641 1.00 0.00 O ATOM 537 CB GLU A 36 2.832 6.385 -0.801 1.00 0.00 C ATOM 538 CG GLU A 36 3.671 7.032 0.269 1.00 0.00 C ATOM 539 CD GLU A 36 3.748 8.533 0.284 1.00 0.00 C ATOM 540 OE1 GLU A 36 3.806 9.009 -0.871 1.00 0.00 O ATOM 541 OE2 GLU A 36 3.910 9.194 1.294 1.00 0.00 O ATOM 0 H GLU A 36 1.489 4.911 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 36 2.209 4.824 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.498 5.890 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.309 7.168 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.290 6.706 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.686 6.645 0.179 1.00 0.00 H new ATOM 548 N ASN A 37 0.369 6.126 1.473 1.00 0.00 N ATOM 549 CA ASN A 37 -0.655 6.957 2.090 1.00 0.00 C ATOM 550 C ASN A 37 -2.045 6.408 1.776 1.00 0.00 C ATOM 551 O ASN A 37 -2.614 6.701 0.726 1.00 0.00 O ATOM 552 CB ASN A 37 -0.473 8.432 1.738 1.00 0.00 C ATOM 553 CG ASN A 37 0.886 8.979 2.133 1.00 0.00 C ATOM 554 OD1 ASN A 37 1.413 9.895 1.485 1.00 0.00 O ATOM 555 ND2 ASN A 37 1.447 8.442 3.215 1.00 0.00 N ATOM 0 H ASN A 37 0.949 5.615 2.138 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.544 6.912 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.612 8.562 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.250 9.015 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.350 8.783 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.973 7.689 3.715 1.00 0.00 H new ATOM 562 N ILE A 38 -2.635 5.751 2.769 1.00 0.00 N ATOM 563 CA ILE A 38 -4.043 5.383 2.722 1.00 0.00 C ATOM 564 C ILE A 38 -4.815 6.095 3.828 1.00 0.00 C ATOM 565 O ILE A 38 -5.712 5.519 4.442 1.00 0.00 O ATOM 566 CB ILE A 38 -4.200 3.818 2.812 1.00 0.00 C ATOM 567 CG1 ILE A 38 -3.266 3.154 1.766 1.00 0.00 C ATOM 568 CG2 ILE A 38 -5.664 3.355 2.662 1.00 0.00 C ATOM 569 CD1 ILE A 38 -3.444 1.622 1.631 1.00 0.00 C ATOM 0 H ILE A 38 -2.155 5.461 3.621 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.465 5.703 1.770 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.902 3.498 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.443 3.615 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.231 3.365 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.711 2.268 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.268 3.796 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.049 3.673 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.753 1.240 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.237 1.146 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.468 1.400 1.329 1.00 0.00 H new ATOM 581 N ILE A 39 -4.579 7.398 3.934 1.00 0.00 N ATOM 582 CA ILE A 39 -5.293 8.238 4.883 1.00 0.00 C ATOM 583 C ILE A 39 -6.187 9.233 4.149 1.00 0.00 C ATOM 584 O ILE A 39 -7.171 9.721 4.703 1.00 0.00 O ATOM 585 CB ILE A 39 -4.276 8.965 5.843 1.00 0.00 C ATOM 586 CG1 ILE A 39 -3.425 7.901 6.582 1.00 0.00 C ATOM 587 CG2 ILE A 39 -4.972 9.937 6.821 1.00 0.00 C ATOM 588 CD1 ILE A 39 -4.153 7.202 7.755 1.00 0.00 C ATOM 0 H ILE A 39 -3.892 7.897 3.368 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.938 7.610 5.498 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.617 9.590 5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.108 7.144 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.521 8.377 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.224 10.410 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.504 10.703 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.680 9.386 7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.485 6.474 8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.446 7.945 8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.042 6.694 7.381 1.00 0.00 H new ATOM 600 N ASP A 40 -5.969 9.322 2.839 1.00 0.00 N ATOM 601 CA ASP A 40 -6.807 10.135 1.972 1.00 0.00 C ATOM 602 C ASP A 40 -6.566 11.619 2.236 1.00 0.00 C ATOM 603 O ASP A 40 -5.473 12.020 2.630 1.00 0.00 O ATOM 604 CB ASP A 40 -8.274 9.716 2.049 1.00 0.00 C ATOM 605 CG ASP A 40 -8.463 8.218 2.193 1.00 0.00 C ATOM 606 OD1 ASP A 40 -7.943 7.507 1.306 1.00 0.00 O ATOM 607 OD2 ASP A 40 -9.079 7.746 3.159 1.00 0.00 O ATOM 0 H ASP A 40 -5.213 8.836 2.356 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.521 9.959 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.744 10.218 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.789 10.056 1.151 1.00 0.00 H new ATOM 612 N MET A 41 -7.566 12.428 1.902 1.00 0.00 N ATOM 613 CA MET A 41 -7.407 13.876 1.872 1.00 0.00 C ATOM 614 C MET A 41 -6.421 14.277 0.778 1.00 0.00 C ATOM 615 O MET A 41 -5.730 15.290 0.898 1.00 0.00 O ATOM 616 CB MET A 41 -6.992 14.413 3.238 1.00 0.00 C ATOM 617 CG MET A 41 -7.993 14.024 4.296 1.00 0.00 C ATOM 618 SD MET A 41 -7.473 14.821 5.859 1.00 0.00 S ATOM 619 CE MET A 41 -5.964 13.899 6.191 1.00 0.00 C ATOM 0 H MET A 41 -8.499 12.103 1.647 1.00 0.00 H new ATOM 0 HA MET A 41 -8.370 14.327 1.635 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.008 14.025 3.502 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.905 15.499 3.195 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.995 14.348 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.029 12.941 4.411 1.00 0.00 H new ATOM 0 HE1 MET A 41 -5.841 13.778 7.267 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.026 12.918 5.721 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.110 14.442 5.786 1.00 0.00 H new ATOM 629 N GLY A 42 -6.571 13.636 -0.379 1.00 0.00 N ATOM 630 CA GLY A 42 -5.819 13.996 -1.566 1.00 0.00 C ATOM 631 C GLY A 42 -4.914 12.819 -1.989 1.00 0.00 C ATOM 632 O GLY A 42 -3.786 12.662 -1.498 1.00 0.00 O ATOM 0 H GLY A 42 -7.215 12.857 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.502 14.251 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.213 14.880 -1.369 1.00 0.00 H new ATOM 636 N PRO A 43 -5.472 11.944 -2.848 1.00 0.00 N ATOM 637 CA PRO A 43 -4.848 10.631 -3.163 1.00 0.00 C ATOM 638 C PRO A 43 -3.422 10.747 -3.695 1.00 0.00 C ATOM 639 O PRO A 43 -2.458 10.571 -2.951 1.00 0.00 O ATOM 640 CB PRO A 43 -5.791 9.922 -4.125 1.00 0.00 C ATOM 641 CG PRO A 43 -6.953 10.822 -4.419 1.00 0.00 C ATOM 642 CD PRO A 43 -6.849 11.972 -3.426 1.00 0.00 C ATOM 0 HA PRO A 43 -4.724 10.046 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.268 9.669 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.140 8.986 -3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.915 11.187 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.898 10.291 -4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.037 12.924 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.597 11.868 -2.640 1.00 0.00 H new ATOM 650 N GLU A 44 -3.315 10.880 -5.013 1.00 0.00 N ATOM 651 CA GLU A 44 -2.036 10.757 -5.700 1.00 0.00 C ATOM 652 C GLU A 44 -2.187 11.159 -7.168 1.00 0.00 C ATOM 653 O GLU A 44 -2.916 12.106 -7.478 1.00 0.00 O ATOM 654 CB GLU A 44 -1.565 9.313 -5.562 1.00 0.00 C ATOM 655 CG GLU A 44 -0.242 9.119 -4.871 1.00 0.00 C ATOM 656 CD GLU A 44 0.955 8.813 -5.728 1.00 0.00 C ATOM 657 OE1 GLU A 44 0.850 7.704 -6.298 1.00 0.00 O ATOM 658 OE2 GLU A 44 1.974 9.481 -5.737 1.00 0.00 O ATOM 0 H GLU A 44 -4.104 11.074 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.295 11.423 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.324 8.754 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.501 8.875 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.025 10.023 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.355 8.309 -4.151 1.00 0.00 H new ATOM 665 N TRP A 45 -1.206 10.730 -7.966 1.00 0.00 N ATOM 666 CA TRP A 45 -1.240 10.972 -9.400 1.00 0.00 C ATOM 667 C TRP A 45 -1.245 12.468 -9.697 1.00 0.00 C ATOM 668 O TRP A 45 -1.394 12.875 -10.852 1.00 0.00 O ATOM 669 CB TRP A 45 -2.400 10.235 -10.067 1.00 0.00 C ATOM 670 CG TRP A 45 -3.747 10.820 -9.822 1.00 0.00 C ATOM 671 CD1 TRP A 45 -4.184 12.074 -10.151 1.00 0.00 C ATOM 672 CD2 TRP A 45 -4.897 10.124 -9.308 1.00 0.00 C ATOM 673 NE1 TRP A 45 -5.507 12.225 -9.810 1.00 0.00 N ATOM 674 CE2 TRP A 45 -5.970 11.043 -9.304 1.00 0.00 C ATOM 675 CE3 TRP A 45 -5.101 8.829 -8.845 1.00 0.00 C ATOM 676 CZ2 TRP A 45 -7.237 10.699 -8.852 1.00 0.00 C ATOM 677 CZ3 TRP A 45 -6.360 8.487 -8.394 1.00 0.00 C ATOM 678 CH2 TRP A 45 -7.411 9.400 -8.400 1.00 0.00 C ATOM 0 H TRP A 45 -0.386 10.217 -7.641 1.00 0.00 H new ATOM 0 HA TRP A 45 -0.329 10.563 -9.837 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.223 10.209 -11.142 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -2.401 9.202 -9.719 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.576 12.837 -10.613 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -6.054 13.079 -9.917 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.296 8.110 -8.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -8.049 11.411 -8.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -6.534 7.486 -8.027 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.383 9.090 -8.045 1.00 0.00 H new ATOM 689 N ARG A 46 -0.887 13.257 -8.689 1.00 0.00 N ATOM 690 CA ARG A 46 -0.519 14.654 -8.896 1.00 0.00 C ATOM 691 C ARG A 46 -1.676 15.428 -9.517 1.00 0.00 C ATOM 692 O ARG A 46 -1.846 15.432 -10.737 1.00 0.00 O ATOM 693 CB ARG A 46 0.728 14.784 -9.779 1.00 0.00 C ATOM 694 CG ARG A 46 1.884 15.539 -9.137 1.00 0.00 C ATOM 695 CD ARG A 46 3.135 14.728 -9.129 1.00 0.00 C ATOM 696 NE ARG A 46 3.491 14.279 -7.791 1.00 0.00 N ATOM 697 CZ ARG A 46 3.681 15.114 -6.767 1.00 0.00 C ATOM 698 NH1 ARG A 46 3.750 16.429 -6.945 1.00 0.00 N ATOM 699 NH2 ARG A 46 3.860 14.612 -5.544 1.00 0.00 N ATOM 0 H ARG A 46 -0.844 12.951 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.289 15.078 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.070 13.785 -10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.451 15.289 -10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.057 16.469 -9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.619 15.810 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.009 13.862 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.952 15.320 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 46 3.601 13.278 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.657 16.822 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.896 17.045 -6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.851 13.602 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.006 15.238 -4.752 1.00 0.00 H new ATOM 713 N ALA A 47 -2.369 16.194 -8.680 1.00 0.00 N ATOM 714 CA ALA A 47 -3.339 17.172 -9.153 1.00 0.00 C ATOM 715 C ALA A 47 -3.901 17.970 -7.978 1.00 0.00 C ATOM 716 O ALA A 47 -3.987 17.463 -6.862 1.00 0.00 O ATOM 717 CB ALA A 47 -4.456 16.480 -9.927 1.00 0.00 C ATOM 0 H ALA A 47 -2.275 16.154 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.839 17.866 -9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.173 17.224 -10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.034 15.955 -10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.961 15.765 -9.277 1.00 0.00 H new ATOM 723 N PHE A 48 -4.461 19.133 -8.298 1.00 0.00 N ATOM 724 CA PHE A 48 -5.288 19.877 -7.357 1.00 0.00 C ATOM 725 C PHE A 48 -6.754 19.478 -7.512 1.00 0.00 C ATOM 726 O PHE A 48 -7.478 20.060 -8.320 1.00 0.00 O ATOM 727 CB PHE A 48 -5.167 21.414 -7.507 1.00 0.00 C ATOM 728 CG PHE A 48 -3.882 21.946 -6.940 1.00 0.00 C ATOM 729 CD1 PHE A 48 -2.716 22.091 -7.690 1.00 0.00 C ATOM 730 CD2 PHE A 48 -3.896 22.367 -5.607 1.00 0.00 C ATOM 731 CE1 PHE A 48 -1.553 22.606 -7.107 1.00 0.00 C ATOM 732 CE2 PHE A 48 -2.757 22.878 -5.009 1.00 0.00 C ATOM 733 CZ PHE A 48 -1.576 22.971 -5.750 1.00 0.00 C ATOM 0 H PHE A 48 -4.355 19.582 -9.208 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.919 19.618 -6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.233 21.679 -8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.008 21.892 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.710 21.803 -8.731 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.809 22.292 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.652 22.721 -7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.781 23.202 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.673 23.326 -5.276 1.00 0.00 H new ATOM 743 N ASP A 49 -7.081 18.317 -6.951 1.00 0.00 N ATOM 744 CA ASP A 49 -8.411 17.745 -7.084 1.00 0.00 C ATOM 745 C ASP A 49 -8.846 17.100 -5.770 1.00 0.00 C ATOM 746 O ASP A 49 -8.218 16.155 -5.296 1.00 0.00 O ATOM 747 CB ASP A 49 -8.511 16.821 -8.295 1.00 0.00 C ATOM 748 CG ASP A 49 -9.719 17.105 -9.168 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.660 17.943 -10.079 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.756 16.457 -8.907 1.00 0.00 O ATOM 0 H ASP A 49 -6.436 17.753 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.123 18.545 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.606 16.920 -8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.554 15.787 -7.952 1.00 0.00 H new ATOM 755 N ALA A 50 -9.818 17.732 -5.121 1.00 0.00 N ATOM 756 CA ALA A 50 -10.188 17.383 -3.756 1.00 0.00 C ATOM 757 C ALA A 50 -11.486 16.578 -3.749 1.00 0.00 C ATOM 758 O ALA A 50 -11.553 15.535 -3.084 1.00 0.00 O ATOM 759 CB ALA A 50 -10.320 18.642 -2.907 1.00 0.00 C ATOM 760 OXT ALA A 50 -12.516 17.078 -4.226 1.00 0.00 O ATOM 0 H ALA A 50 -10.366 18.493 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.402 16.763 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.597 18.367 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.368 19.173 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.089 19.287 -3.331 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.455 -7.388 -4.893 1.00 0.00 ZN