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 Set 1.1: A 18 TYR OH : rot 30:sc= 0.134 USER MOD Set 1.2: A 37 ASN : amide:sc= -2.18 K(o=-2,f=0.32) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.142 (180deg=-0.773) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 98:sc= 1.05 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 41 MET CE :methyl 171:sc= 0 (180deg=-0.0542) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.974 -1.986 -17.219 1.00 0.00 N ATOM 2 CA MET A 1 -1.400 -3.326 -17.655 1.00 0.00 C ATOM 3 C MET A 1 -2.391 -3.904 -16.655 1.00 0.00 C ATOM 4 O MET A 1 -2.434 -3.493 -15.496 1.00 0.00 O ATOM 5 CB MET A 1 -0.192 -4.230 -17.863 1.00 0.00 C ATOM 6 CG MET A 1 -0.319 -5.019 -19.142 1.00 0.00 C ATOM 7 SD MET A 1 1.302 -5.804 -19.463 1.00 0.00 S ATOM 8 CE MET A 1 2.239 -4.369 -20.011 1.00 0.00 C ATOM 0 H1 MET A 1 -0.297 -1.596 -17.906 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.803 -1.361 -17.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.520 -2.053 -16.286 1.00 0.00 H new ATOM 0 HA MET A 1 -1.908 -3.252 -18.617 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.716 -3.628 -17.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.095 -4.913 -17.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.100 -5.774 -19.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.600 -4.367 -19.969 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.051 -4.692 -20.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.582 -3.693 -20.558 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.652 -3.852 -19.145 1.00 0.00 H new ATOM 20 N VAL A 2 -3.270 -4.767 -17.156 1.00 0.00 N ATOM 21 CA VAL A 2 -4.228 -5.465 -16.309 1.00 0.00 C ATOM 22 C VAL A 2 -3.933 -6.962 -16.296 1.00 0.00 C ATOM 23 O VAL A 2 -4.321 -7.687 -17.211 1.00 0.00 O ATOM 24 CB VAL A 2 -5.671 -5.130 -16.740 1.00 0.00 C ATOM 25 CG1 VAL A 2 -6.168 -3.849 -16.090 1.00 0.00 C ATOM 26 CG2 VAL A 2 -5.830 -5.067 -18.254 1.00 0.00 C ATOM 0 H VAL A 2 -3.338 -4.999 -18.147 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.126 -5.121 -15.280 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.293 -5.953 -16.386 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.188 -3.646 -16.418 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.151 -3.961 -15.006 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.522 -3.020 -16.379 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.864 -4.828 -18.502 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.173 -4.296 -18.657 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.567 -6.032 -18.688 1.00 0.00 H new ATOM 36 N ASN A 3 -3.399 -7.426 -15.172 1.00 0.00 N ATOM 37 CA ASN A 3 -3.280 -8.852 -14.904 1.00 0.00 C ATOM 38 C ASN A 3 -3.192 -9.104 -13.400 1.00 0.00 C ATOM 39 O ASN A 3 -2.646 -8.278 -12.664 1.00 0.00 O ATOM 40 CB ASN A 3 -2.148 -9.486 -15.710 1.00 0.00 C ATOM 41 CG ASN A 3 -1.950 -10.960 -15.412 1.00 0.00 C ATOM 42 OD1 ASN A 3 -0.813 -11.425 -15.243 1.00 0.00 O ATOM 43 ND2 ASN A 3 -3.055 -11.700 -15.336 1.00 0.00 N ATOM 0 H ASN A 3 -3.039 -6.829 -14.427 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.184 -9.355 -15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.355 -9.362 -16.773 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.220 -8.953 -15.502 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.988 -12.697 -15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.968 -11.270 -15.483 1.00 0.00 H new ATOM 50 N LYS A 4 -4.034 -10.024 -12.932 1.00 0.00 N ATOM 51 CA LYS A 4 -4.016 -10.446 -11.543 1.00 0.00 C ATOM 52 C LYS A 4 -4.242 -9.275 -10.599 1.00 0.00 C ATOM 53 O LYS A 4 -4.675 -8.200 -11.014 1.00 0.00 O ATOM 54 CB LYS A 4 -2.733 -11.179 -11.164 1.00 0.00 C ATOM 55 CG LYS A 4 -1.479 -10.308 -11.135 1.00 0.00 C ATOM 56 CD LYS A 4 -0.246 -11.050 -10.651 1.00 0.00 C ATOM 57 CE LYS A 4 0.781 -11.281 -11.679 1.00 0.00 C ATOM 58 NZ LYS A 4 1.080 -12.727 -11.833 1.00 0.00 N ATOM 0 H LYS A 4 -4.739 -10.490 -13.503 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.841 -11.150 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.867 -11.631 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.575 -11.994 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.291 -9.919 -12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.656 -9.449 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.201 -10.487 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.555 -12.013 -10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.441 -10.875 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.692 -10.746 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.808 -12.855 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.427 -13.108 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.215 -13.232 -12.112 1.00 0.00 H new ATOM 72 N GLN A 5 -4.084 -9.546 -9.306 1.00 0.00 N ATOM 73 CA GLN A 5 -4.210 -8.517 -8.285 1.00 0.00 C ATOM 74 C GLN A 5 -3.233 -8.778 -7.140 1.00 0.00 C ATOM 75 O GLN A 5 -3.211 -9.869 -6.573 1.00 0.00 O ATOM 76 CB GLN A 5 -5.641 -8.371 -7.763 1.00 0.00 C ATOM 77 CG GLN A 5 -6.276 -7.032 -8.088 1.00 0.00 C ATOM 78 CD GLN A 5 -6.904 -6.368 -6.887 1.00 0.00 C ATOM 79 OE1 GLN A 5 -7.816 -6.896 -6.255 1.00 0.00 O ATOM 80 NE2 GLN A 5 -6.470 -5.136 -6.630 1.00 0.00 N ATOM 0 H GLN A 5 -3.868 -10.474 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.956 -7.568 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.255 -9.166 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.640 -8.509 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.519 -6.370 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.036 -7.174 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.710 -4.738 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.898 -4.590 -5.882 1.00 0.00 H new ATOM 89 N LYS A 6 -2.592 -7.707 -6.686 1.00 0.00 N ATOM 90 CA LYS A 6 -1.833 -7.727 -5.444 1.00 0.00 C ATOM 91 C LYS A 6 -0.625 -8.647 -5.571 1.00 0.00 C ATOM 92 O LYS A 6 -0.688 -9.836 -5.249 1.00 0.00 O ATOM 93 CB LYS A 6 -2.690 -8.161 -4.256 1.00 0.00 C ATOM 94 CG LYS A 6 -2.611 -7.219 -3.053 1.00 0.00 C ATOM 95 CD LYS A 6 -3.454 -7.681 -1.879 1.00 0.00 C ATOM 96 CE LYS A 6 -2.688 -8.128 -0.705 1.00 0.00 C ATOM 97 NZ LYS A 6 -2.657 -7.085 0.353 1.00 0.00 N ATOM 0 H LYS A 6 -2.584 -6.807 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.495 -6.707 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.729 -8.235 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.381 -9.159 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.572 -7.132 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.936 -6.224 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.110 -6.864 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.095 -8.499 -2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.131 -9.040 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.669 -8.374 -1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.109 -7.432 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.212 -6.223 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.628 -6.869 0.656 1.00 0.00 H new ATOM 111 N VAL A 7 0.386 -8.162 -6.295 1.00 0.00 N ATOM 112 CA VAL A 7 1.687 -8.822 -6.307 1.00 0.00 C ATOM 113 C VAL A 7 2.803 -7.771 -6.308 1.00 0.00 C ATOM 114 O VAL A 7 2.520 -6.572 -6.352 1.00 0.00 O ATOM 115 CB VAL A 7 1.785 -9.809 -7.485 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.671 -10.850 -7.477 1.00 0.00 C ATOM 117 CG2 VAL A 7 1.841 -9.088 -8.824 1.00 0.00 C ATOM 0 H VAL A 7 0.328 -7.324 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 7 1.807 -9.416 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 7 2.724 -10.345 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.791 -11.518 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.719 -11.428 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.295 -10.350 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.910 -9.820 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.939 -8.490 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.715 -8.437 -8.850 1.00 0.00 H new ATOM 127 N CYS A 8 4.001 -8.242 -6.651 1.00 0.00 N ATOM 128 CA CYS A 8 5.107 -7.375 -7.009 1.00 0.00 C ATOM 129 C CYS A 8 5.327 -7.427 -8.541 1.00 0.00 C ATOM 130 O CYS A 8 5.995 -8.341 -9.056 1.00 0.00 O ATOM 131 CB CYS A 8 6.385 -7.764 -6.273 1.00 0.00 C ATOM 132 SG CYS A 8 7.711 -6.537 -6.372 1.00 0.00 S ATOM 0 H CYS A 8 4.226 -9.236 -6.687 1.00 0.00 H new ATOM 0 HA CYS A 8 4.857 -6.357 -6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.146 -7.938 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.750 -8.708 -6.678 1.00 0.00 H new ATOM 137 N PRO A 9 5.114 -6.245 -9.168 1.00 0.00 N ATOM 138 CA PRO A 9 5.509 -6.000 -10.576 1.00 0.00 C ATOM 139 C PRO A 9 7.020 -5.956 -10.795 1.00 0.00 C ATOM 140 O PRO A 9 7.482 -5.771 -11.921 1.00 0.00 O ATOM 141 CB PRO A 9 4.813 -4.713 -11.006 1.00 0.00 C ATOM 142 CG PRO A 9 3.840 -4.316 -9.935 1.00 0.00 C ATOM 143 CD PRO A 9 4.209 -5.143 -8.713 1.00 0.00 C ATOM 0 HA PRO A 9 5.193 -6.838 -11.197 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.545 -3.921 -11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.294 -4.861 -11.953 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.908 -3.249 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.814 -4.514 -10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.706 -4.523 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.314 -5.552 -8.243 1.00 0.00 H new ATOM 151 N ALA A 10 7.742 -5.833 -9.682 1.00 0.00 N ATOM 152 CA ALA A 10 9.187 -5.669 -9.722 1.00 0.00 C ATOM 153 C ALA A 10 9.876 -7.024 -9.822 1.00 0.00 C ATOM 154 O ALA A 10 10.330 -7.425 -10.893 1.00 0.00 O ATOM 155 CB ALA A 10 9.676 -4.881 -8.513 1.00 0.00 C ATOM 0 H ALA A 10 7.345 -5.844 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 10 9.447 -5.097 -10.613 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.759 -4.771 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.211 -3.895 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.408 -5.412 -7.600 1.00 0.00 H new ATOM 161 N CYS A 11 9.889 -7.756 -8.708 1.00 0.00 N ATOM 162 CA CYS A 11 10.789 -8.898 -8.574 1.00 0.00 C ATOM 163 C CYS A 11 10.134 -10.188 -9.045 1.00 0.00 C ATOM 164 O CYS A 11 10.745 -11.261 -8.981 1.00 0.00 O ATOM 165 CB CYS A 11 11.389 -8.993 -7.184 1.00 0.00 C ATOM 166 SG CYS A 11 10.250 -9.331 -5.828 1.00 0.00 S ATOM 0 H CYS A 11 9.295 -7.581 -7.897 1.00 0.00 H new ATOM 0 HA CYS A 11 11.634 -8.731 -9.242 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.147 -9.776 -7.194 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.902 -8.055 -6.971 1.00 0.00 H new ATOM 171 N GLU A 12 8.833 -10.123 -9.306 1.00 0.00 N ATOM 172 CA GLU A 12 7.981 -11.310 -9.348 1.00 0.00 C ATOM 173 C GLU A 12 8.007 -12.026 -8.003 1.00 0.00 C ATOM 174 O GLU A 12 8.437 -13.171 -7.883 1.00 0.00 O ATOM 175 CB GLU A 12 8.444 -12.189 -10.497 1.00 0.00 C ATOM 176 CG GLU A 12 8.513 -11.527 -11.847 1.00 0.00 C ATOM 177 CD GLU A 12 9.486 -12.085 -12.849 1.00 0.00 C ATOM 178 OE1 GLU A 12 9.202 -12.942 -13.668 1.00 0.00 O ATOM 179 OE2 GLU A 12 10.566 -11.457 -12.852 1.00 0.00 O ATOM 0 H GLU A 12 8.339 -9.251 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 12 6.941 -11.038 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.433 -12.579 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.772 -13.044 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.518 -11.563 -12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.756 -10.476 -11.693 1.00 0.00 H new ATOM 186 N SER A 13 7.521 -11.328 -6.977 1.00 0.00 N ATOM 187 CA SER A 13 7.153 -11.972 -5.719 1.00 0.00 C ATOM 188 C SER A 13 5.815 -11.429 -5.223 1.00 0.00 C ATOM 189 O SER A 13 5.449 -10.293 -5.519 1.00 0.00 O ATOM 190 CB SER A 13 8.240 -11.808 -4.667 1.00 0.00 C ATOM 191 OG SER A 13 9.486 -12.304 -5.124 1.00 0.00 O ATOM 0 H SER A 13 7.374 -10.319 -6.993 1.00 0.00 H new ATOM 0 HA SER A 13 7.047 -13.041 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.340 -10.754 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.950 -12.334 -3.758 1.00 0.00 H new ATOM 0 HG SER A 13 10.034 -11.560 -5.451 1.00 0.00 H new ATOM 197 N ALA A 14 5.044 -12.306 -4.590 1.00 0.00 N ATOM 198 CA ALA A 14 3.635 -12.035 -4.316 1.00 0.00 C ATOM 199 C ALA A 14 3.425 -11.533 -2.889 1.00 0.00 C ATOM 200 O ALA A 14 2.297 -11.218 -2.500 1.00 0.00 O ATOM 201 CB ALA A 14 2.811 -13.293 -4.568 1.00 0.00 C ATOM 0 H ALA A 14 5.370 -13.213 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 14 3.303 -11.245 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.761 -13.087 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.924 -13.600 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.159 -14.093 -3.914 1.00 0.00 H new ATOM 207 N GLU A 15 4.443 -11.753 -2.062 1.00 0.00 N ATOM 208 CA GLU A 15 4.389 -11.357 -0.662 1.00 0.00 C ATOM 209 C GLU A 15 4.490 -9.835 -0.543 1.00 0.00 C ATOM 210 O GLU A 15 5.522 -9.252 -0.877 1.00 0.00 O ATOM 211 CB GLU A 15 5.532 -12.051 0.067 1.00 0.00 C ATOM 212 CG GLU A 15 5.354 -13.527 0.312 1.00 0.00 C ATOM 213 CD GLU A 15 5.717 -14.057 1.670 1.00 0.00 C ATOM 214 OE1 GLU A 15 5.710 -13.386 2.686 1.00 0.00 O ATOM 215 OE2 GLU A 15 5.867 -15.299 1.662 1.00 0.00 O ATOM 0 H GLU A 15 5.315 -12.204 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 15 3.441 -11.654 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.446 -11.905 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.678 -11.557 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.310 -13.775 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.948 -14.064 -0.428 1.00 0.00 H new ATOM 222 N LEU A 16 3.549 -9.271 0.210 1.00 0.00 N ATOM 223 CA LEU A 16 3.575 -7.857 0.546 1.00 0.00 C ATOM 224 C LEU A 16 3.160 -7.648 2.000 1.00 0.00 C ATOM 225 O LEU A 16 2.835 -8.600 2.706 1.00 0.00 O ATOM 226 CB LEU A 16 2.687 -7.112 -0.464 1.00 0.00 C ATOM 227 CG LEU A 16 2.773 -7.556 -1.914 1.00 0.00 C ATOM 228 CD1 LEU A 16 1.597 -7.026 -2.720 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.086 -7.049 -2.502 1.00 0.00 C ATOM 0 H LEU A 16 2.755 -9.779 0.600 1.00 0.00 H new ATOM 0 HA LEU A 16 4.583 -7.449 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.651 -7.209 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.937 -6.052 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 16 2.738 -8.645 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.685 -7.359 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.666 -7.402 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.596 -5.936 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.162 -7.360 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.114 -5.961 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.921 -7.463 -1.938 1.00 0.00 H new ATOM 241 N ILE A 17 3.321 -6.414 2.466 1.00 0.00 N ATOM 242 CA ILE A 17 3.194 -6.102 3.882 1.00 0.00 C ATOM 243 C ILE A 17 2.877 -4.623 4.076 1.00 0.00 C ATOM 244 O ILE A 17 3.477 -3.760 3.436 1.00 0.00 O ATOM 245 CB ILE A 17 4.502 -6.524 4.654 1.00 0.00 C ATOM 246 CG1 ILE A 17 5.739 -6.005 3.877 1.00 0.00 C ATOM 247 CG2 ILE A 17 4.573 -8.044 4.914 1.00 0.00 C ATOM 248 CD1 ILE A 17 7.096 -6.493 4.435 1.00 0.00 C ATOM 0 H ILE A 17 3.541 -5.610 1.878 1.00 0.00 H new ATOM 0 HA ILE A 17 2.364 -6.673 4.299 1.00 0.00 H new ATOM 0 HB ILE A 17 4.485 -6.065 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.655 -6.316 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.727 -4.915 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.494 -8.279 5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.717 -8.351 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.559 -8.577 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.906 -6.083 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.206 -6.159 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.133 -7.582 4.400 1.00 0.00 H new ATOM 260 N TYR A 18 2.091 -4.342 5.112 1.00 0.00 N ATOM 261 CA TYR A 18 1.623 -2.986 5.368 1.00 0.00 C ATOM 262 C TYR A 18 2.509 -2.309 6.411 1.00 0.00 C ATOM 263 O TYR A 18 3.214 -2.976 7.166 1.00 0.00 O ATOM 264 CB TYR A 18 0.147 -2.985 5.816 1.00 0.00 C ATOM 265 CG TYR A 18 -0.399 -1.619 6.161 1.00 0.00 C ATOM 266 CD1 TYR A 18 -0.022 -0.989 7.348 1.00 0.00 C ATOM 267 CD2 TYR A 18 -1.386 -1.011 5.381 1.00 0.00 C ATOM 268 CE1 TYR A 18 -0.573 0.230 7.728 1.00 0.00 C ATOM 269 CE2 TYR A 18 -1.966 0.199 5.760 1.00 0.00 C ATOM 270 CZ TYR A 18 -1.553 0.816 6.939 1.00 0.00 C ATOM 271 OH TYR A 18 -2.043 2.032 7.325 1.00 0.00 O ATOM 0 H TYR A 18 1.766 -5.035 5.786 1.00 0.00 H new ATOM 0 HA TYR A 18 1.688 -2.420 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.462 -3.416 5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.043 -3.635 6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.713 -1.458 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.706 -1.488 4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.240 0.718 8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.729 0.654 5.145 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.347 2.528 7.804 1.00 0.00 H new ATOM 281 N ASP A 19 2.594 -0.986 6.311 1.00 0.00 N ATOM 282 CA ASP A 19 3.514 -0.207 7.121 1.00 0.00 C ATOM 283 C ASP A 19 2.780 1.010 7.718 1.00 0.00 C ATOM 284 O ASP A 19 2.735 2.097 7.123 1.00 0.00 O ATOM 285 CB ASP A 19 4.782 0.160 6.360 1.00 0.00 C ATOM 286 CG ASP A 19 6.037 0.089 7.210 1.00 0.00 C ATOM 287 OD1 ASP A 19 6.079 0.630 8.324 1.00 0.00 O ATOM 288 OD2 ASP A 19 6.974 -0.603 6.755 1.00 0.00 O ATOM 0 H ASP A 19 2.029 -0.430 5.669 1.00 0.00 H new ATOM 0 HA ASP A 19 3.859 -0.821 7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.892 -0.510 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.679 1.169 5.962 1.00 0.00 H new ATOM 293 N PRO A 20 2.330 0.845 8.979 1.00 0.00 N ATOM 294 CA PRO A 20 1.548 1.891 9.686 1.00 0.00 C ATOM 295 C PRO A 20 2.319 3.194 9.891 1.00 0.00 C ATOM 296 O PRO A 20 1.766 4.176 10.385 1.00 0.00 O ATOM 297 CB PRO A 20 1.076 1.271 10.996 1.00 0.00 C ATOM 298 CG PRO A 20 1.355 -0.203 10.953 1.00 0.00 C ATOM 299 CD PRO A 20 2.323 -0.405 9.796 1.00 0.00 C ATOM 0 HA PRO A 20 0.698 2.195 9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.592 1.730 11.840 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.010 1.451 11.138 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.790 -0.547 11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.437 -0.771 10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.324 -0.622 10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.018 -1.257 9.188 1.00 0.00 H new ATOM 307 N GLU A 21 3.641 3.084 9.775 1.00 0.00 N ATOM 308 CA GLU A 21 4.521 4.227 9.977 1.00 0.00 C ATOM 309 C GLU A 21 4.306 5.258 8.868 1.00 0.00 C ATOM 310 O GLU A 21 4.414 6.460 9.104 1.00 0.00 O ATOM 311 CB GLU A 21 5.956 3.716 9.995 1.00 0.00 C ATOM 312 CG GLU A 21 6.559 3.500 11.358 1.00 0.00 C ATOM 313 CD GLU A 21 7.767 4.316 11.725 1.00 0.00 C ATOM 314 OE1 GLU A 21 7.617 5.524 11.440 1.00 0.00 O ATOM 315 OE2 GLU A 21 8.826 3.835 12.088 1.00 0.00 O ATOM 0 H GLU A 21 4.123 2.216 9.543 1.00 0.00 H new ATOM 0 HA GLU A 21 4.302 4.722 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.993 2.773 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.581 4.424 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.785 3.693 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.827 2.447 11.443 1.00 0.00 H new ATOM 322 N ARG A 22 4.295 4.756 7.636 1.00 0.00 N ATOM 323 CA ARG A 22 4.195 5.607 6.461 1.00 0.00 C ATOM 324 C ARG A 22 2.792 5.531 5.864 1.00 0.00 C ATOM 325 O ARG A 22 2.436 6.326 4.995 1.00 0.00 O ATOM 326 CB ARG A 22 5.232 5.227 5.394 1.00 0.00 C ATOM 327 CG ARG A 22 6.658 5.644 5.720 1.00 0.00 C ATOM 328 CD ARG A 22 7.254 6.467 4.628 1.00 0.00 C ATOM 329 NE ARG A 22 6.354 7.519 4.181 1.00 0.00 N ATOM 330 CZ ARG A 22 6.215 8.684 4.817 1.00 0.00 C ATOM 331 NH1 ARG A 22 6.751 8.888 6.017 1.00 0.00 N ATOM 332 NH2 ARG A 22 5.480 9.647 4.260 1.00 0.00 N ATOM 0 H ARG A 22 4.355 3.759 7.428 1.00 0.00 H new ATOM 0 HA ARG A 22 4.398 6.629 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.207 4.147 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.942 5.681 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.668 6.212 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.269 4.756 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.186 6.912 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.505 5.823 3.785 1.00 0.00 H new ATOM 0 HE ARG A 22 5.801 7.358 3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.282 8.145 6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.631 9.787 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.031 9.489 3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.366 10.542 4.736 1.00 0.00 H new ATOM 346 N GLY A 23 2.076 4.472 6.223 1.00 0.00 N ATOM 347 CA GLY A 23 0.843 4.105 5.540 1.00 0.00 C ATOM 348 C GLY A 23 1.157 3.326 4.264 1.00 0.00 C ATOM 349 O GLY A 23 0.461 3.462 3.259 1.00 0.00 O ATOM 0 H GLY A 23 2.331 3.849 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.220 3.501 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.273 5.002 5.296 1.00 0.00 H new ATOM 353 N GLU A 24 2.306 2.661 4.273 1.00 0.00 N ATOM 354 CA GLU A 24 2.892 2.117 3.053 1.00 0.00 C ATOM 355 C GLU A 24 2.824 0.588 3.077 1.00 0.00 C ATOM 356 O GLU A 24 3.498 -0.053 3.881 1.00 0.00 O ATOM 357 CB GLU A 24 4.330 2.611 2.964 1.00 0.00 C ATOM 358 CG GLU A 24 4.878 2.785 1.571 1.00 0.00 C ATOM 359 CD GLU A 24 4.672 4.115 0.902 1.00 0.00 C ATOM 360 OE1 GLU A 24 5.380 5.010 1.409 1.00 0.00 O ATOM 361 OE2 GLU A 24 3.824 4.325 0.053 1.00 0.00 O ATOM 0 H GLU A 24 2.853 2.485 5.116 1.00 0.00 H new ATOM 0 HA GLU A 24 2.341 2.451 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.399 3.567 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.969 1.910 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.950 2.589 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.433 2.018 0.937 1.00 0.00 H new ATOM 368 N ILE A 25 2.186 0.034 2.051 1.00 0.00 N ATOM 369 CA ILE A 25 2.312 -1.386 1.742 1.00 0.00 C ATOM 370 C ILE A 25 3.488 -1.610 0.790 1.00 0.00 C ATOM 371 O ILE A 25 3.746 -0.774 -0.080 1.00 0.00 O ATOM 372 CB ILE A 25 0.966 -1.941 1.143 1.00 0.00 C ATOM 373 CG1 ILE A 25 -0.230 -1.371 1.948 1.00 0.00 C ATOM 374 CG2 ILE A 25 0.937 -3.484 1.075 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.654 0.060 1.534 1.00 0.00 C ATOM 0 H ILE A 25 1.574 0.549 1.417 1.00 0.00 H new ATOM 0 HA ILE A 25 2.512 -1.937 2.661 1.00 0.00 H new ATOM 0 HB ILE A 25 0.888 -1.604 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.083 -2.039 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.028 -1.369 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.014 -3.812 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.754 -3.836 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.051 -3.895 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.496 0.381 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.182 0.744 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.947 0.063 0.484 1.00 0.00 H new ATOM 387 N VAL A 26 4.325 -2.578 1.144 1.00 0.00 N ATOM 388 CA VAL A 26 5.581 -2.803 0.443 1.00 0.00 C ATOM 389 C VAL A 26 5.663 -4.256 -0.037 1.00 0.00 C ATOM 390 O VAL A 26 4.982 -5.126 0.505 1.00 0.00 O ATOM 391 CB VAL A 26 6.780 -2.389 1.317 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.075 -2.279 0.516 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.509 -1.106 2.084 1.00 0.00 C ATOM 0 H VAL A 26 4.154 -3.222 1.916 1.00 0.00 H new ATOM 0 HA VAL A 26 5.618 -2.170 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 26 6.914 -3.190 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.889 -1.985 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.306 -3.243 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.956 -1.530 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.381 -0.851 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.305 -0.298 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.646 -1.247 2.735 1.00 0.00 H new ATOM 403 N CYS A 27 6.701 -4.528 -0.815 1.00 0.00 N ATOM 404 CA CYS A 27 7.145 -5.895 -1.075 1.00 0.00 C ATOM 405 C CYS A 27 7.778 -6.487 0.180 1.00 0.00 C ATOM 406 O CYS A 27 8.508 -5.806 0.900 1.00 0.00 O ATOM 407 CB CYS A 27 8.100 -5.932 -2.264 1.00 0.00 C ATOM 408 SG CYS A 27 8.450 -7.585 -2.910 1.00 0.00 S ATOM 0 H CYS A 27 7.258 -3.813 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 27 6.282 -6.508 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.681 -5.325 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.041 -5.466 -1.970 1.00 0.00 H new ATOM 413 N ALA A 28 7.615 -7.796 0.335 1.00 0.00 N ATOM 414 CA ALA A 28 8.319 -8.547 1.364 1.00 0.00 C ATOM 415 C ALA A 28 9.596 -9.158 0.795 1.00 0.00 C ATOM 416 O ALA A 28 10.076 -10.180 1.282 1.00 0.00 O ATOM 417 CB ALA A 28 7.411 -9.624 1.951 1.00 0.00 C ATOM 0 H ALA A 28 6.996 -8.362 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 28 8.598 -7.865 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.952 -10.177 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.531 -9.157 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.101 -10.309 1.161 1.00 0.00 H new ATOM 423 N LYS A 29 9.982 -8.662 -0.379 1.00 0.00 N ATOM 424 CA LYS A 29 11.185 -9.133 -1.049 1.00 0.00 C ATOM 425 C LYS A 29 12.137 -7.971 -1.314 1.00 0.00 C ATOM 426 O LYS A 29 13.174 -7.844 -0.664 1.00 0.00 O ATOM 427 CB LYS A 29 10.870 -9.835 -2.369 1.00 0.00 C ATOM 428 CG LYS A 29 11.501 -11.221 -2.504 1.00 0.00 C ATOM 429 CD LYS A 29 10.891 -12.246 -1.566 1.00 0.00 C ATOM 430 CE LYS A 29 11.861 -13.121 -0.889 1.00 0.00 C ATOM 431 NZ LYS A 29 11.209 -14.342 -0.351 1.00 0.00 N ATOM 0 H LYS A 29 9.476 -7.934 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 29 11.657 -9.855 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.789 -9.928 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.214 -9.209 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.389 -11.566 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.570 -11.148 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.306 -11.722 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.197 -12.867 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.647 -13.405 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.340 -12.575 -0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.921 -14.937 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.476 -14.071 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.773 -14.875 -1.131 1.00 0.00 H new ATOM 445 N CYS A 30 11.797 -7.151 -2.307 1.00 0.00 N ATOM 446 CA CYS A 30 12.782 -6.272 -2.932 1.00 0.00 C ATOM 447 C CYS A 30 12.821 -4.907 -2.262 1.00 0.00 C ATOM 448 O CYS A 30 13.606 -4.040 -2.659 1.00 0.00 O ATOM 449 CB CYS A 30 12.582 -6.186 -4.438 1.00 0.00 C ATOM 450 SG CYS A 30 10.990 -5.533 -4.983 1.00 0.00 S ATOM 0 H CYS A 30 10.856 -7.077 -2.693 1.00 0.00 H new ATOM 0 HA CYS A 30 13.766 -6.716 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.372 -5.561 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.708 -7.183 -4.860 1.00 0.00 H new ATOM 455 N GLY A 31 11.775 -4.628 -1.480 1.00 0.00 N ATOM 456 CA GLY A 31 11.658 -3.350 -0.796 1.00 0.00 C ATOM 457 C GLY A 31 10.591 -2.467 -1.444 1.00 0.00 C ATOM 458 O GLY A 31 10.479 -1.285 -1.099 1.00 0.00 O ATOM 0 H GLY A 31 11.002 -5.272 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.407 -3.518 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.619 -2.836 -0.815 1.00 0.00 H new ATOM 462 N TYR A 32 10.165 -2.912 -2.629 1.00 0.00 N ATOM 463 CA TYR A 32 9.299 -2.108 -3.484 1.00 0.00 C ATOM 464 C TYR A 32 7.963 -1.861 -2.777 1.00 0.00 C ATOM 465 O TYR A 32 7.143 -2.780 -2.687 1.00 0.00 O ATOM 466 CB TYR A 32 9.094 -2.775 -4.855 1.00 0.00 C ATOM 467 CG TYR A 32 8.087 -2.097 -5.757 1.00 0.00 C ATOM 468 CD1 TYR A 32 8.426 -0.964 -6.502 1.00 0.00 C ATOM 469 CD2 TYR A 32 6.837 -2.676 -5.977 1.00 0.00 C ATOM 470 CE1 TYR A 32 7.530 -0.401 -7.409 1.00 0.00 C ATOM 471 CE2 TYR A 32 5.936 -2.134 -6.886 1.00 0.00 C ATOM 472 CZ TYR A 32 6.285 -0.997 -7.602 1.00 0.00 C ATOM 473 OH TYR A 32 5.396 -0.524 -8.528 1.00 0.00 O ATOM 0 H TYR A 32 10.408 -3.825 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 32 9.780 -1.147 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.054 -2.811 -5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.779 -3.806 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.400 -0.517 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.563 -3.565 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.798 0.490 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.970 -2.595 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 32 4.585 -1.074 -8.514 1.00 0.00 H new ATOM 483 N VAL A 33 7.620 -0.576 -2.668 1.00 0.00 N ATOM 484 CA VAL A 33 6.295 -0.167 -2.241 1.00 0.00 C ATOM 485 C VAL A 33 5.237 -0.694 -3.219 1.00 0.00 C ATOM 486 O VAL A 33 5.331 -0.449 -4.422 1.00 0.00 O ATOM 487 CB VAL A 33 6.211 1.356 -2.031 1.00 0.00 C ATOM 488 CG1 VAL A 33 4.810 1.812 -1.628 1.00 0.00 C ATOM 489 CG2 VAL A 33 7.245 1.845 -1.029 1.00 0.00 C ATOM 0 H VAL A 33 8.251 0.198 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 33 6.088 -0.612 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 33 6.435 1.809 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.804 2.893 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.100 1.541 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.524 1.328 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.153 2.924 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.080 1.357 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.245 1.604 -1.391 1.00 0.00 H new ATOM 499 N ILE A 34 4.115 -1.110 -2.647 1.00 0.00 N ATOM 500 CA ILE A 34 2.890 -1.339 -3.410 1.00 0.00 C ATOM 501 C ILE A 34 2.063 -0.059 -3.455 1.00 0.00 C ATOM 502 O ILE A 34 1.925 0.569 -4.504 1.00 0.00 O ATOM 503 CB ILE A 34 2.099 -2.541 -2.765 1.00 0.00 C ATOM 504 CG1 ILE A 34 2.946 -3.833 -2.919 1.00 0.00 C ATOM 505 CG2 ILE A 34 0.671 -2.703 -3.315 1.00 0.00 C ATOM 506 CD1 ILE A 34 3.058 -4.356 -4.371 1.00 0.00 C ATOM 0 H ILE A 34 4.026 -1.298 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 34 3.125 -1.606 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 34 1.953 -2.327 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.949 -3.643 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.510 -4.615 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.187 -3.549 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.100 -1.795 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.713 -2.880 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.666 -5.260 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.063 -4.582 -4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.524 -3.595 -4.997 1.00 0.00 H new ATOM 518 N GLU A 35 1.414 0.239 -2.334 1.00 0.00 N ATOM 519 CA GLU A 35 0.394 1.281 -2.289 1.00 0.00 C ATOM 520 C GLU A 35 0.758 2.321 -1.227 1.00 0.00 C ATOM 521 O GLU A 35 1.788 2.204 -0.565 1.00 0.00 O ATOM 522 CB GLU A 35 -0.942 0.615 -1.984 1.00 0.00 C ATOM 523 CG GLU A 35 -1.670 0.035 -3.167 1.00 0.00 C ATOM 524 CD GLU A 35 -2.563 -1.149 -2.925 1.00 0.00 C ATOM 525 OE1 GLU A 35 -2.164 -2.298 -2.852 1.00 0.00 O ATOM 526 OE2 GLU A 35 -3.726 -0.803 -2.624 1.00 0.00 O ATOM 0 H GLU A 35 1.577 -0.228 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 35 0.327 1.803 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.772 -0.181 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.591 1.348 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.275 0.826 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.927 -0.252 -3.911 1.00 0.00 H new ATOM 533 N GLU A 36 -0.200 3.197 -0.944 1.00 0.00 N ATOM 534 CA GLU A 36 -0.127 4.066 0.227 1.00 0.00 C ATOM 535 C GLU A 36 -1.532 4.381 0.732 1.00 0.00 C ATOM 536 O GLU A 36 -2.476 4.485 -0.048 1.00 0.00 O ATOM 537 CB GLU A 36 0.623 5.329 -0.177 1.00 0.00 C ATOM 538 CG GLU A 36 1.550 5.902 0.862 1.00 0.00 C ATOM 539 CD GLU A 36 1.079 7.105 1.630 1.00 0.00 C ATOM 540 OE1 GLU A 36 0.162 7.082 2.433 1.00 0.00 O ATOM 541 OE2 GLU A 36 1.842 8.084 1.480 1.00 0.00 O ATOM 0 H GLU A 36 -1.039 3.325 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 36 0.404 3.577 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.203 5.113 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.107 6.092 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.778 5.114 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.486 6.164 0.369 1.00 0.00 H new ATOM 548 N ASN A 37 -1.612 4.702 2.021 1.00 0.00 N ATOM 549 CA ASN A 37 -2.895 4.916 2.674 1.00 0.00 C ATOM 550 C ASN A 37 -2.709 5.712 3.965 1.00 0.00 C ATOM 551 O ASN A 37 -1.713 6.425 4.116 1.00 0.00 O ATOM 552 CB ASN A 37 -3.664 3.609 2.852 1.00 0.00 C ATOM 553 CG ASN A 37 -3.129 2.743 3.978 1.00 0.00 C ATOM 554 OD1 ASN A 37 -1.952 2.354 3.973 1.00 0.00 O ATOM 555 ND2 ASN A 37 -3.959 2.526 4.998 1.00 0.00 N ATOM 0 H ASN A 37 -0.803 4.819 2.631 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.526 5.525 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.712 3.836 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.627 3.044 1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.634 2.020 5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.920 2.866 4.955 1.00 0.00 H new ATOM 562 N ILE A 38 -3.812 5.859 4.695 1.00 0.00 N ATOM 563 CA ILE A 38 -3.829 6.636 5.924 1.00 0.00 C ATOM 564 C ILE A 38 -3.427 8.084 5.653 1.00 0.00 C ATOM 565 O ILE A 38 -3.266 8.474 4.492 1.00 0.00 O ATOM 566 CB ILE A 38 -2.952 5.954 7.031 1.00 0.00 C ATOM 567 CG1 ILE A 38 -3.490 6.355 8.432 1.00 0.00 C ATOM 568 CG2 ILE A 38 -1.440 6.223 6.893 1.00 0.00 C ATOM 569 CD1 ILE A 38 -3.608 5.178 9.430 1.00 0.00 C ATOM 0 H ILE A 38 -4.711 5.445 4.451 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.848 6.662 6.311 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.045 4.876 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.832 7.112 8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.471 6.815 8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.905 5.716 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.090 5.848 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.254 7.295 6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.991 5.545 10.382 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.290 4.428 9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.626 4.730 9.582 1.00 0.00 H new ATOM 581 N ILE A 39 -3.561 8.916 6.682 1.00 0.00 N ATOM 582 CA ILE A 39 -3.578 10.365 6.510 1.00 0.00 C ATOM 583 C ILE A 39 -4.830 10.788 5.744 1.00 0.00 C ATOM 584 O ILE A 39 -4.870 10.704 4.516 1.00 0.00 O ATOM 585 CB ILE A 39 -2.262 10.845 5.790 1.00 0.00 C ATOM 586 CG1 ILE A 39 -1.035 10.230 6.513 1.00 0.00 C ATOM 587 CG2 ILE A 39 -2.165 12.381 5.683 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.280 10.285 5.697 1.00 0.00 C ATOM 0 H ILE A 39 -3.660 8.609 7.650 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.610 10.844 7.489 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.284 10.490 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.885 10.753 7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.255 9.190 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.238 12.653 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.013 12.760 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.175 12.817 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.086 9.834 6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.152 9.736 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.528 11.323 5.476 1.00 0.00 H new ATOM 600 N ASP A 40 -5.902 11.033 6.491 1.00 0.00 N ATOM 601 CA ASP A 40 -7.245 11.081 5.924 1.00 0.00 C ATOM 602 C ASP A 40 -7.693 9.678 5.519 1.00 0.00 C ATOM 603 O ASP A 40 -7.580 9.295 4.355 1.00 0.00 O ATOM 604 CB ASP A 40 -7.351 12.117 4.811 1.00 0.00 C ATOM 605 CG ASP A 40 -6.684 13.436 5.151 1.00 0.00 C ATOM 606 OD1 ASP A 40 -7.402 14.291 5.715 1.00 0.00 O ATOM 607 OD2 ASP A 40 -5.496 13.639 4.863 1.00 0.00 O ATOM 0 H ASP A 40 -5.866 11.202 7.496 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.946 11.422 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.900 11.713 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.403 12.297 4.591 1.00 0.00 H new ATOM 612 N MET A 41 -8.000 8.865 6.525 1.00 0.00 N ATOM 613 CA MET A 41 -8.137 7.426 6.344 1.00 0.00 C ATOM 614 C MET A 41 -9.248 7.119 5.345 1.00 0.00 C ATOM 615 O MET A 41 -9.145 6.179 4.557 1.00 0.00 O ATOM 616 CB MET A 41 -8.365 6.725 7.681 1.00 0.00 C ATOM 617 CG MET A 41 -7.524 5.478 7.785 1.00 0.00 C ATOM 618 SD MET A 41 -7.627 4.892 9.515 1.00 0.00 S ATOM 619 CE MET A 41 -7.139 3.175 9.291 1.00 0.00 C ATOM 0 H MET A 41 -8.160 9.183 7.481 1.00 0.00 H new ATOM 0 HA MET A 41 -7.205 7.037 5.934 1.00 0.00 H new ATOM 0 HB2 MET A 41 -8.120 7.403 8.498 1.00 0.00 H new ATOM 0 HB3 MET A 41 -9.419 6.467 7.786 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.886 4.713 7.098 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.490 5.688 7.512 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.993 2.708 10.265 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.920 2.643 8.747 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.209 3.132 8.725 1.00 0.00 H new ATOM 629 N GLY A 42 -10.377 7.797 5.525 1.00 0.00 N ATOM 630 CA GLY A 42 -11.584 7.507 4.773 1.00 0.00 C ATOM 631 C GLY A 42 -12.357 8.814 4.499 1.00 0.00 C ATOM 632 O GLY A 42 -11.777 9.842 4.121 1.00 0.00 O ATOM 0 H GLY A 42 -10.477 8.560 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.329 7.021 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.212 6.812 5.330 1.00 0.00 H new ATOM 636 N PRO A 43 -13.697 8.717 4.596 1.00 0.00 N ATOM 637 CA PRO A 43 -14.607 9.830 4.229 1.00 0.00 C ATOM 638 C PRO A 43 -14.290 11.141 4.944 1.00 0.00 C ATOM 639 O PRO A 43 -14.553 12.222 4.416 1.00 0.00 O ATOM 640 CB PRO A 43 -16.024 9.337 4.495 1.00 0.00 C ATOM 641 CG PRO A 43 -15.972 7.860 4.758 1.00 0.00 C ATOM 642 CD PRO A 43 -14.508 7.540 5.023 1.00 0.00 C ATOM 0 HA PRO A 43 -14.478 10.084 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -16.453 9.859 5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.665 9.547 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -16.592 7.593 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.347 7.297 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.349 7.330 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.206 6.649 4.472 1.00 0.00 H new ATOM 650 N GLU A 44 -13.994 11.022 6.235 1.00 0.00 N ATOM 651 CA GLU A 44 -13.914 12.166 7.131 1.00 0.00 C ATOM 652 C GLU A 44 -15.242 12.923 7.155 1.00 0.00 C ATOM 653 O GLU A 44 -16.227 12.477 6.570 1.00 0.00 O ATOM 654 CB GLU A 44 -12.767 13.057 6.672 1.00 0.00 C ATOM 655 CG GLU A 44 -11.405 12.416 6.653 1.00 0.00 C ATOM 656 CD GLU A 44 -11.054 11.489 7.783 1.00 0.00 C ATOM 657 OE1 GLU A 44 -11.147 12.053 8.896 1.00 0.00 O ATOM 658 OE2 GLU A 44 -10.864 10.294 7.647 1.00 0.00 O ATOM 0 H GLU A 44 -13.803 10.128 6.688 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.721 11.833 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.992 13.418 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.728 13.930 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.309 11.860 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.660 13.211 6.628 1.00 0.00 H new ATOM 665 N TRP A 45 -15.294 13.944 8.004 1.00 0.00 N ATOM 666 CA TRP A 45 -16.543 14.620 8.321 1.00 0.00 C ATOM 667 C TRP A 45 -16.813 15.735 7.314 1.00 0.00 C ATOM 668 O TRP A 45 -16.541 16.904 7.580 1.00 0.00 O ATOM 669 CB TRP A 45 -16.553 15.124 9.765 1.00 0.00 C ATOM 670 CG TRP A 45 -15.414 16.010 10.128 1.00 0.00 C ATOM 671 CD1 TRP A 45 -15.375 17.378 10.082 1.00 0.00 C ATOM 672 CD2 TRP A 45 -14.162 15.598 10.700 1.00 0.00 C ATOM 673 NE1 TRP A 45 -14.162 17.837 10.538 1.00 0.00 N ATOM 674 CE2 TRP A 45 -13.405 16.769 10.933 1.00 0.00 C ATOM 675 CE3 TRP A 45 -13.622 14.358 11.023 1.00 0.00 C ATOM 676 CZ2 TRP A 45 -12.130 16.730 11.477 1.00 0.00 C ATOM 677 CZ3 TRP A 45 -12.352 14.319 11.564 1.00 0.00 C ATOM 678 CH2 TRP A 45 -11.619 15.481 11.794 1.00 0.00 C ATOM 0 H TRP A 45 -14.479 14.322 8.487 1.00 0.00 H new ATOM 0 HA TRP A 45 -17.358 13.901 8.241 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -17.484 15.664 9.940 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -16.553 14.264 10.435 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -16.182 18.007 9.737 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -13.874 18.815 10.576 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -14.181 13.449 10.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.561 17.632 11.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.916 13.363 11.815 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.633 15.407 12.228 1.00 0.00 H new ATOM 689 N ARG A 46 -17.488 15.371 6.229 1.00 0.00 N ATOM 690 CA ARG A 46 -18.023 16.346 5.289 1.00 0.00 C ATOM 691 C ARG A 46 -19.498 16.610 5.578 1.00 0.00 C ATOM 692 O ARG A 46 -20.072 16.031 6.499 1.00 0.00 O ATOM 693 CB ARG A 46 -17.854 15.884 3.835 1.00 0.00 C ATOM 694 CG ARG A 46 -17.604 17.007 2.839 1.00 0.00 C ATOM 695 CD ARG A 46 -16.551 16.641 1.849 1.00 0.00 C ATOM 696 NE ARG A 46 -15.662 17.756 1.554 1.00 0.00 N ATOM 697 CZ ARG A 46 -15.058 17.919 0.376 1.00 0.00 C ATOM 698 NH1 ARG A 46 -15.380 17.176 -0.679 1.00 0.00 N ATOM 699 NH2 ARG A 46 -14.147 18.883 0.240 1.00 0.00 N ATOM 0 H ARG A 46 -17.678 14.401 5.979 1.00 0.00 H new ATOM 0 HA ARG A 46 -17.457 17.269 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -17.023 15.180 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -18.750 15.341 3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -18.530 17.242 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -17.303 17.908 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.967 15.805 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -17.024 16.302 0.927 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.493 18.447 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.104 16.462 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.903 17.320 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.919 19.485 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.678 19.018 -0.655 1.00 0.00 H new ATOM 713 N ALA A 47 -20.122 17.381 4.695 1.00 0.00 N ATOM 714 CA ALA A 47 -21.569 17.547 4.703 1.00 0.00 C ATOM 715 C ALA A 47 -22.241 16.355 4.026 1.00 0.00 C ATOM 716 O ALA A 47 -22.516 16.384 2.829 1.00 0.00 O ATOM 717 CB ALA A 47 -21.956 18.855 4.021 1.00 0.00 C ATOM 0 H ALA A 47 -19.644 17.903 3.961 1.00 0.00 H new ATOM 0 HA ALA A 47 -21.914 17.590 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -23.040 18.965 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -21.499 19.691 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -21.605 18.845 2.989 1.00 0.00 H new ATOM 723 N PHE A 48 -22.626 15.381 4.843 1.00 0.00 N ATOM 724 CA PHE A 48 -23.471 14.284 4.390 1.00 0.00 C ATOM 725 C PHE A 48 -24.918 14.516 4.818 1.00 0.00 C ATOM 726 O PHE A 48 -25.822 14.556 3.986 1.00 0.00 O ATOM 727 CB PHE A 48 -23.013 12.894 4.904 1.00 0.00 C ATOM 728 CG PHE A 48 -23.742 11.767 4.234 1.00 0.00 C ATOM 729 CD1 PHE A 48 -23.530 11.399 2.905 1.00 0.00 C ATOM 730 CD2 PHE A 48 -24.703 11.088 4.988 1.00 0.00 C ATOM 731 CE1 PHE A 48 -24.223 10.319 2.347 1.00 0.00 C ATOM 732 CE2 PHE A 48 -25.402 10.017 4.455 1.00 0.00 C ATOM 733 CZ PHE A 48 -25.137 9.610 3.145 1.00 0.00 C ATOM 0 H PHE A 48 -22.364 15.330 5.828 1.00 0.00 H new ATOM 0 HA PHE A 48 -23.386 14.274 3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -21.942 12.782 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -23.173 12.837 5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -22.825 11.952 2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -24.904 11.403 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -24.058 10.035 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -26.144 9.502 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 48 -25.639 8.743 2.742 1.00 0.00 H new ATOM 743 N ASP A 49 -25.089 14.820 6.101 1.00 0.00 N ATOM 744 CA ASP A 49 -26.369 15.280 6.620 1.00 0.00 C ATOM 745 C ASP A 49 -26.167 16.478 7.545 1.00 0.00 C ATOM 746 O ASP A 49 -26.975 17.404 7.559 1.00 0.00 O ATOM 747 CB ASP A 49 -27.168 14.138 7.244 1.00 0.00 C ATOM 748 CG ASP A 49 -28.561 13.993 6.662 1.00 0.00 C ATOM 749 OD1 ASP A 49 -29.237 15.042 6.576 1.00 0.00 O ATOM 750 OD2 ASP A 49 -28.985 12.887 6.297 1.00 0.00 O ATOM 0 H ASP A 49 -24.351 14.755 6.802 1.00 0.00 H new ATOM 0 HA ASP A 49 -26.984 15.632 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -26.624 13.204 7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -27.246 14.303 8.319 1.00 0.00 H new ATOM 755 N ALA A 50 -25.163 16.367 8.407 1.00 0.00 N ATOM 756 CA ALA A 50 -24.973 17.318 9.494 1.00 0.00 C ATOM 757 C ALA A 50 -23.484 17.544 9.744 1.00 0.00 C ATOM 758 O ALA A 50 -22.659 17.179 8.893 1.00 0.00 O ATOM 759 CB ALA A 50 -25.671 16.824 10.757 1.00 0.00 C ATOM 760 OXT ALA A 50 -23.126 18.277 10.679 1.00 0.00 O ATOM 0 H ALA A 50 -24.465 15.624 8.373 1.00 0.00 H new ATOM 0 HA ALA A 50 -25.419 18.272 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -25.521 17.544 11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -26.738 16.713 10.563 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -25.254 15.861 11.050 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.460 -7.297 -5.009 1.00 0.00 ZN