USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.0873 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -161:sc= -0.112 (180deg=-0.558) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.346 K(o=-0.35,f=-4!) USER MOD Single : A 25 SER OG : rot 50:sc= -0.519 USER MOD Single : A 27 ASN : amide:sc= -0.0185 X(o=-0.018,f=-0.029) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 32 GLN : amide:sc= -2.12 K(o=-2.1,f=-2.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc=-0.00363 (180deg=-0.046) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= -0.0376 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.084 5.340 -0.479 1.00 0.00 N ATOM 2 CA SER A 1 10.675 5.149 -1.882 1.00 0.00 C ATOM 3 C SER A 1 9.182 4.780 -1.968 1.00 0.00 C ATOM 4 O SER A 1 8.482 4.737 -0.949 1.00 0.00 O ATOM 5 CB SER A 1 11.571 4.062 -2.520 1.00 0.00 C ATOM 6 OG SER A 1 11.507 2.844 -1.794 1.00 0.00 O ATOM 0 H1 SER A 1 11.483 6.293 -0.360 1.00 0.00 H new ATOM 0 H2 SER A 1 10.257 5.232 0.142 1.00 0.00 H new ATOM 0 H3 SER A 1 11.801 4.630 -0.227 1.00 0.00 H new ATOM 0 HA SER A 1 10.804 6.079 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.259 3.890 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.602 4.413 -2.554 1.00 0.00 H new ATOM 0 HG SER A 1 12.082 2.177 -2.223 1.00 0.00 H new ATOM 14 N HIS A 2 8.704 4.542 -3.200 1.00 0.00 N ATOM 15 CA HIS A 2 7.322 4.097 -3.468 1.00 0.00 C ATOM 16 C HIS A 2 7.329 2.630 -3.967 1.00 0.00 C ATOM 17 O HIS A 2 8.335 1.921 -3.818 1.00 0.00 O ATOM 18 CB HIS A 2 6.659 5.050 -4.501 1.00 0.00 C ATOM 19 CG HIS A 2 6.504 6.473 -4.023 1.00 0.00 C ATOM 20 ND1 HIS A 2 6.887 7.578 -4.753 1.00 0.00 N ATOM 21 CD2 HIS A 2 5.958 6.958 -2.878 1.00 0.00 C ATOM 22 CE1 HIS A 2 6.564 8.667 -4.051 1.00 0.00 C ATOM 23 NE2 HIS A 2 5.995 8.345 -2.908 1.00 0.00 N ATOM 0 H HIS A 2 9.266 4.653 -4.044 1.00 0.00 H new ATOM 0 HA HIS A 2 6.736 4.134 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.255 5.049 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.676 4.657 -4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.559 6.360 -2.072 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.746 9.680 -4.378 1.00 0.00 H new ATOM 0 HE2 HIS A 2 5.652 8.984 -2.191 1.00 0.00 H new ATOM 31 N MET A 3 6.191 2.192 -4.550 1.00 0.00 N ATOM 32 CA MET A 3 5.999 0.817 -5.055 1.00 0.00 C ATOM 33 C MET A 3 6.972 0.498 -6.206 1.00 0.00 C ATOM 34 O MET A 3 7.143 1.318 -7.120 1.00 0.00 O ATOM 35 CB MET A 3 4.536 0.631 -5.534 1.00 0.00 C ATOM 36 CG MET A 3 3.459 0.814 -4.445 1.00 0.00 C ATOM 37 SD MET A 3 1.776 0.758 -5.108 1.00 0.00 S ATOM 38 CE MET A 3 1.746 2.224 -6.148 1.00 0.00 C ATOM 0 H MET A 3 5.375 2.789 -4.684 1.00 0.00 H new ATOM 0 HA MET A 3 6.207 0.126 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.341 1.341 -6.338 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.434 -0.368 -5.959 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.574 0.035 -3.692 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.615 1.769 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.713 2.508 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.256 3.042 -5.639 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.251 2.012 -7.090 1.00 0.00 H new ATOM 48 N CYS A 4 7.576 -0.712 -6.135 1.00 0.00 N ATOM 49 CA CYS A 4 8.518 -1.265 -7.130 1.00 0.00 C ATOM 50 C CYS A 4 9.668 -0.270 -7.478 1.00 0.00 C ATOM 51 O CYS A 4 9.499 0.587 -8.360 1.00 0.00 O ATOM 52 CB CYS A 4 7.769 -1.820 -8.393 1.00 0.00 C ATOM 53 SG CYS A 4 6.125 -1.115 -8.701 1.00 0.00 S ATOM 0 H CYS A 4 7.413 -1.350 -5.356 1.00 0.00 H new ATOM 0 HA CYS A 4 9.009 -2.122 -6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.391 -1.642 -9.270 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.668 -2.900 -8.288 1.00 0.00 H new ATOM 58 N PRO A 5 10.857 -0.377 -6.772 1.00 0.00 N ATOM 59 CA PRO A 5 12.002 0.552 -6.950 1.00 0.00 C ATOM 60 C PRO A 5 12.611 0.474 -8.370 1.00 0.00 C ATOM 61 O PRO A 5 13.383 -0.444 -8.686 1.00 0.00 O ATOM 62 CB PRO A 5 13.021 0.108 -5.852 1.00 0.00 C ATOM 63 CG PRO A 5 12.229 -0.742 -4.902 1.00 0.00 C ATOM 64 CD PRO A 5 11.183 -1.418 -5.750 1.00 0.00 C ATOM 0 HA PRO A 5 11.703 1.595 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.849 -0.453 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.452 0.970 -5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.866 -1.474 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.770 -0.136 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.563 -2.330 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.307 -1.697 -5.164 1.00 0.00 H new ATOM 72 N ALA A 6 12.233 1.438 -9.221 1.00 0.00 N ATOM 73 CA ALA A 6 12.620 1.471 -10.641 1.00 0.00 C ATOM 74 C ALA A 6 12.950 2.904 -11.082 1.00 0.00 C ATOM 75 O ALA A 6 12.987 3.827 -10.257 1.00 0.00 O ATOM 76 CB ALA A 6 11.472 0.885 -11.471 1.00 0.00 C ATOM 0 H ALA A 6 11.645 2.224 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 6 13.519 0.874 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.741 0.901 -12.527 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.286 -0.143 -11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.571 1.479 -11.317 1.00 0.00 H new ATOM 82 N VAL A 7 13.215 3.074 -12.386 1.00 0.00 N ATOM 83 CA VAL A 7 13.396 4.392 -13.004 1.00 0.00 C ATOM 84 C VAL A 7 12.017 5.048 -13.260 1.00 0.00 C ATOM 85 O VAL A 7 11.437 4.948 -14.347 1.00 0.00 O ATOM 86 CB VAL A 7 14.282 4.318 -14.308 1.00 0.00 C ATOM 87 CG1 VAL A 7 15.766 4.070 -13.939 1.00 0.00 C ATOM 88 CG2 VAL A 7 13.780 3.235 -15.303 1.00 0.00 C ATOM 0 H VAL A 7 13.310 2.298 -13.041 1.00 0.00 H new ATOM 0 HA VAL A 7 13.947 5.027 -12.310 1.00 0.00 H new ATOM 0 HB VAL A 7 14.195 5.281 -14.812 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.364 4.021 -14.849 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.126 4.885 -13.311 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.854 3.129 -13.397 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.423 3.224 -16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.807 2.258 -14.821 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.757 3.463 -15.603 1.00 0.00 H new ATOM 98 N SER A 8 11.497 5.667 -12.180 1.00 0.00 N ATOM 99 CA SER A 8 10.173 6.323 -12.120 1.00 0.00 C ATOM 100 C SER A 8 9.037 5.290 -12.167 1.00 0.00 C ATOM 101 O SER A 8 8.774 4.671 -13.208 1.00 0.00 O ATOM 102 CB SER A 8 9.995 7.401 -13.220 1.00 0.00 C ATOM 103 OG SER A 8 11.009 8.377 -13.119 1.00 0.00 O ATOM 0 H SER A 8 12.003 5.726 -11.296 1.00 0.00 H new ATOM 0 HA SER A 8 10.123 6.840 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.027 6.934 -14.204 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.017 7.872 -13.122 1.00 0.00 H new ATOM 0 HG SER A 8 10.886 9.050 -13.820 1.00 0.00 H new ATOM 109 N CYS A 9 8.369 5.094 -11.021 1.00 0.00 N ATOM 110 CA CYS A 9 7.199 4.226 -10.933 1.00 0.00 C ATOM 111 C CYS A 9 5.981 4.958 -11.524 1.00 0.00 C ATOM 112 O CYS A 9 5.189 5.562 -10.794 1.00 0.00 O ATOM 113 CB CYS A 9 6.935 3.786 -9.480 1.00 0.00 C ATOM 114 SG CYS A 9 5.536 2.641 -9.340 1.00 0.00 S ATOM 0 H CYS A 9 8.627 5.533 -10.137 1.00 0.00 H new ATOM 0 HA CYS A 9 7.385 3.319 -11.509 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.830 3.310 -9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.742 4.667 -8.867 1.00 0.00 H new ATOM 119 N LEU A 10 5.899 4.957 -12.867 1.00 0.00 N ATOM 120 CA LEU A 10 4.825 5.629 -13.611 1.00 0.00 C ATOM 121 C LEU A 10 3.470 4.943 -13.378 1.00 0.00 C ATOM 122 O LEU A 10 3.399 3.713 -13.209 1.00 0.00 O ATOM 123 CB LEU A 10 5.158 5.657 -15.128 1.00 0.00 C ATOM 124 CG LEU A 10 6.471 6.410 -15.533 1.00 0.00 C ATOM 125 CD1 LEU A 10 6.696 6.342 -17.061 1.00 0.00 C ATOM 126 CD2 LEU A 10 6.477 7.879 -15.021 1.00 0.00 C ATOM 0 H LEU A 10 6.579 4.488 -13.466 1.00 0.00 H new ATOM 0 HA LEU A 10 4.752 6.652 -13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.229 4.629 -15.482 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.322 6.118 -15.654 1.00 0.00 H new ATOM 0 HG LEU A 10 7.304 5.902 -15.048 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.613 6.872 -17.318 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.780 5.300 -17.370 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.854 6.806 -17.574 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.404 8.366 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.630 8.416 -15.447 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.401 7.886 -13.934 1.00 0.00 H new ATOM 138 N GLN A 11 2.407 5.758 -13.362 1.00 0.00 N ATOM 139 CA GLN A 11 1.013 5.302 -13.329 1.00 0.00 C ATOM 140 C GLN A 11 0.390 5.602 -14.711 1.00 0.00 C ATOM 141 O GLN A 11 -0.167 6.691 -14.925 1.00 0.00 O ATOM 142 CB GLN A 11 0.230 6.000 -12.179 1.00 0.00 C ATOM 143 CG GLN A 11 0.793 5.740 -10.771 1.00 0.00 C ATOM 144 CD GLN A 11 -0.066 6.374 -9.671 1.00 0.00 C ATOM 145 OE1 GLN A 11 0.147 7.521 -9.283 1.00 0.00 O ATOM 146 NE2 GLN A 11 -1.037 5.633 -9.162 1.00 0.00 N ATOM 0 H GLN A 11 2.495 6.774 -13.372 1.00 0.00 H new ATOM 0 HA GLN A 11 0.964 4.232 -13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.224 7.075 -12.361 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.807 5.666 -12.209 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.859 4.665 -10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.807 6.135 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.188 4.685 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.634 6.010 -8.426 1.00 0.00 H new ATOM 155 N PRO A 12 0.542 4.660 -15.693 1.00 0.00 N ATOM 156 CA PRO A 12 0.097 4.870 -17.088 1.00 0.00 C ATOM 157 C PRO A 12 -1.415 4.650 -17.265 1.00 0.00 C ATOM 158 O PRO A 12 -2.080 4.033 -16.419 1.00 0.00 O ATOM 159 CB PRO A 12 0.900 3.792 -17.851 1.00 0.00 C ATOM 160 CG PRO A 12 0.939 2.653 -16.880 1.00 0.00 C ATOM 161 CD PRO A 12 1.164 3.311 -15.532 1.00 0.00 C ATOM 0 HA PRO A 12 0.266 5.889 -17.435 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.412 3.510 -18.784 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.901 4.139 -18.106 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.008 2.087 -16.895 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.741 1.954 -17.120 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.694 2.746 -14.727 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.225 3.384 -15.293 1.00 0.00 H new ATOM 169 N GLU A 13 -1.937 5.165 -18.375 1.00 0.00 N ATOM 170 CA GLU A 13 -3.286 4.869 -18.857 1.00 0.00 C ATOM 171 C GLU A 13 -3.135 4.204 -20.228 1.00 0.00 C ATOM 172 O GLU A 13 -3.130 4.872 -21.269 1.00 0.00 O ATOM 173 CB GLU A 13 -4.133 6.163 -18.922 1.00 0.00 C ATOM 174 CG GLU A 13 -4.333 6.842 -17.550 1.00 0.00 C ATOM 175 CD GLU A 13 -5.150 8.138 -17.633 1.00 0.00 C ATOM 176 OE1 GLU A 13 -6.397 8.072 -17.586 1.00 0.00 O ATOM 177 OE2 GLU A 13 -4.555 9.226 -17.782 1.00 0.00 O ATOM 0 H GLU A 13 -1.426 5.811 -18.976 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.813 4.197 -18.180 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.652 6.868 -19.600 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.109 5.927 -19.347 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.834 6.146 -16.877 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.358 7.061 -17.114 1.00 0.00 H new ATOM 184 N GLY A 14 -2.924 2.884 -20.195 1.00 0.00 N ATOM 185 CA GLY A 14 -2.628 2.087 -21.383 1.00 0.00 C ATOM 186 C GLY A 14 -3.279 0.714 -21.336 1.00 0.00 C ATOM 187 O GLY A 14 -3.738 0.273 -20.280 1.00 0.00 O ATOM 0 H GLY A 14 -2.955 2.337 -19.334 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.972 2.619 -22.270 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.549 1.971 -21.480 1.00 0.00 H new ATOM 191 N ASP A 15 -3.294 0.028 -22.485 1.00 0.00 N ATOM 192 CA ASP A 15 -3.939 -1.297 -22.647 1.00 0.00 C ATOM 193 C ASP A 15 -2.870 -2.400 -22.765 1.00 0.00 C ATOM 194 O ASP A 15 -3.122 -3.563 -22.440 1.00 0.00 O ATOM 195 CB ASP A 15 -4.832 -1.252 -23.913 1.00 0.00 C ATOM 196 CG ASP A 15 -5.678 -2.523 -24.154 1.00 0.00 C ATOM 197 OD1 ASP A 15 -6.790 -2.623 -23.598 1.00 0.00 O ATOM 198 OD2 ASP A 15 -5.238 -3.413 -24.912 1.00 0.00 O ATOM 0 H ASP A 15 -2.858 0.373 -23.340 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.553 -1.527 -21.776 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.502 -0.395 -23.838 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.197 -1.085 -24.783 1.00 0.00 H new ATOM 203 N GLU A 16 -1.673 -1.996 -23.222 1.00 0.00 N ATOM 204 CA GLU A 16 -0.530 -2.901 -23.498 1.00 0.00 C ATOM 205 C GLU A 16 0.520 -2.855 -22.367 1.00 0.00 C ATOM 206 O GLU A 16 1.590 -3.471 -22.489 1.00 0.00 O ATOM 207 CB GLU A 16 0.137 -2.527 -24.861 1.00 0.00 C ATOM 208 CG GLU A 16 0.911 -1.172 -24.901 1.00 0.00 C ATOM 209 CD GLU A 16 0.020 0.074 -24.746 1.00 0.00 C ATOM 210 OE1 GLU A 16 -0.547 0.533 -25.752 1.00 0.00 O ATOM 211 OE2 GLU A 16 -0.162 0.566 -23.607 1.00 0.00 O ATOM 0 H GLU A 16 -1.463 -1.017 -23.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.919 -3.918 -23.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.828 -3.324 -25.134 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.639 -2.501 -25.626 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.658 -1.171 -24.107 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.450 -1.103 -25.846 1.00 0.00 H new ATOM 218 N VAL A 17 0.205 -2.129 -21.274 1.00 0.00 N ATOM 219 CA VAL A 17 1.126 -1.926 -20.134 1.00 0.00 C ATOM 220 C VAL A 17 1.195 -3.187 -19.237 1.00 0.00 C ATOM 221 O VAL A 17 0.671 -3.253 -18.122 1.00 0.00 O ATOM 222 CB VAL A 17 0.755 -0.634 -19.317 1.00 0.00 C ATOM 223 CG1 VAL A 17 0.985 0.625 -20.181 1.00 0.00 C ATOM 224 CG2 VAL A 17 -0.704 -0.685 -18.792 1.00 0.00 C ATOM 0 H VAL A 17 -0.696 -1.666 -21.156 1.00 0.00 H new ATOM 0 HA VAL A 17 2.126 -1.766 -20.537 1.00 0.00 H new ATOM 0 HB VAL A 17 1.409 -0.588 -18.446 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.725 1.514 -19.606 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.033 0.677 -20.476 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.359 0.574 -21.072 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.922 0.225 -18.233 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.391 -0.767 -19.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.826 -1.549 -18.139 1.00 0.00 H new ATOM 234 N ASP A 18 1.858 -4.188 -19.790 1.00 0.00 N ATOM 235 CA ASP A 18 2.039 -5.513 -19.178 1.00 0.00 C ATOM 236 C ASP A 18 3.159 -5.437 -18.117 1.00 0.00 C ATOM 237 O ASP A 18 3.878 -4.432 -18.027 1.00 0.00 O ATOM 238 CB ASP A 18 2.348 -6.571 -20.289 1.00 0.00 C ATOM 239 CG ASP A 18 2.324 -8.028 -19.770 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.224 -8.604 -19.643 1.00 0.00 O ATOM 241 OD2 ASP A 18 3.395 -8.598 -19.476 1.00 0.00 O ATOM 0 H ASP A 18 2.302 -4.109 -20.705 1.00 0.00 H new ATOM 0 HA ASP A 18 1.124 -5.827 -18.675 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.619 -6.467 -21.093 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.328 -6.362 -20.718 1.00 0.00 H new ATOM 246 N TRP A 19 3.264 -6.465 -17.270 1.00 0.00 N ATOM 247 CA TRP A 19 4.258 -6.521 -16.191 1.00 0.00 C ATOM 248 C TRP A 19 5.390 -7.506 -16.531 1.00 0.00 C ATOM 249 O TRP A 19 5.148 -8.670 -16.884 1.00 0.00 O ATOM 250 CB TRP A 19 3.567 -6.904 -14.860 1.00 0.00 C ATOM 251 CG TRP A 19 2.684 -5.828 -14.253 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.897 -4.915 -14.901 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.502 -5.586 -12.858 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.246 -4.121 -13.990 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.604 -4.516 -12.726 1.00 0.00 C ATOM 256 CE3 TRP A 19 3.030 -6.178 -11.714 1.00 0.00 C ATOM 257 CZ2 TRP A 19 1.213 -4.025 -11.481 1.00 0.00 C ATOM 258 CZ3 TRP A 19 2.646 -5.697 -10.480 1.00 0.00 C ATOM 259 CH2 TRP A 19 1.746 -4.625 -10.370 1.00 0.00 C ATOM 0 H TRP A 19 2.660 -7.286 -17.313 1.00 0.00 H new ATOM 0 HA TRP A 19 4.708 -5.535 -16.080 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.962 -7.795 -15.027 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.335 -7.172 -14.135 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.802 -4.831 -15.974 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.602 -3.363 -14.216 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.728 -6.999 -11.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.517 -3.204 -11.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.044 -6.152 -9.585 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.468 -4.266 -9.390 1.00 0.00 H new ATOM 270 N VAL A 20 6.626 -7.003 -16.432 1.00 0.00 N ATOM 271 CA VAL A 20 7.859 -7.784 -16.594 1.00 0.00 C ATOM 272 C VAL A 20 8.479 -8.091 -15.209 1.00 0.00 C ATOM 273 O VAL A 20 8.621 -7.199 -14.356 1.00 0.00 O ATOM 274 CB VAL A 20 8.884 -7.027 -17.526 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.238 -5.605 -16.997 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.157 -7.878 -17.785 1.00 0.00 C ATOM 0 H VAL A 20 6.801 -6.018 -16.232 1.00 0.00 H new ATOM 0 HA VAL A 20 7.614 -8.730 -17.077 1.00 0.00 H new ATOM 0 HB VAL A 20 8.385 -6.883 -18.484 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.946 -5.130 -17.676 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.332 -5.003 -16.938 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.684 -5.686 -16.006 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.839 -7.325 -18.430 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.649 -8.094 -16.837 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.877 -8.813 -18.270 1.00 0.00 H new ATOM 286 N GLN A 21 8.812 -9.370 -14.983 1.00 0.00 N ATOM 287 CA GLN A 21 9.459 -9.848 -13.744 1.00 0.00 C ATOM 288 C GLN A 21 10.971 -9.496 -13.766 1.00 0.00 C ATOM 289 O GLN A 21 11.575 -9.359 -14.838 1.00 0.00 O ATOM 290 CB GLN A 21 9.254 -11.383 -13.598 1.00 0.00 C ATOM 291 CG GLN A 21 9.732 -11.988 -12.261 1.00 0.00 C ATOM 292 CD GLN A 21 9.619 -13.513 -12.223 1.00 0.00 C ATOM 293 OE1 GLN A 21 10.555 -14.235 -12.558 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.450 -14.006 -11.865 1.00 0.00 N ATOM 0 H GLN A 21 8.639 -10.113 -15.660 1.00 0.00 H new ATOM 0 HA GLN A 21 9.002 -9.355 -12.886 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.194 -11.605 -13.720 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.779 -11.882 -14.412 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.769 -11.701 -12.089 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.145 -11.565 -11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.694 -13.378 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.302 -15.015 -11.861 1.00 0.00 H new ATOM 303 N CYS A 22 11.570 -9.347 -12.576 1.00 0.00 N ATOM 304 CA CYS A 22 12.993 -8.982 -12.409 1.00 0.00 C ATOM 305 C CYS A 22 13.753 -10.147 -11.761 1.00 0.00 C ATOM 306 O CYS A 22 14.486 -9.951 -10.780 1.00 0.00 O ATOM 307 CB CYS A 22 13.098 -7.693 -11.546 1.00 0.00 C ATOM 308 SG CYS A 22 14.541 -6.659 -11.935 1.00 0.00 S ATOM 0 H CYS A 22 11.080 -9.477 -11.691 1.00 0.00 H new ATOM 0 HA CYS A 22 13.443 -8.783 -13.382 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.193 -7.102 -11.683 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.139 -7.975 -10.494 1.00 0.00 H new ATOM 313 N ASP A 23 13.584 -11.350 -12.355 1.00 0.00 N ATOM 314 CA ASP A 23 14.050 -12.644 -11.785 1.00 0.00 C ATOM 315 C ASP A 23 15.516 -12.590 -11.301 1.00 0.00 C ATOM 316 O ASP A 23 15.769 -12.807 -10.105 1.00 0.00 O ATOM 317 CB ASP A 23 13.882 -13.785 -12.830 1.00 0.00 C ATOM 318 CG ASP A 23 14.378 -15.154 -12.323 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.622 -15.846 -11.609 1.00 0.00 O ATOM 320 OD2 ASP A 23 15.535 -15.521 -12.609 1.00 0.00 O ATOM 0 H ASP A 23 13.115 -11.456 -13.255 1.00 0.00 H new ATOM 0 HA ASP A 23 13.428 -12.845 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.830 -13.866 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.427 -13.522 -13.736 1.00 0.00 H new ATOM 325 N GLY A 24 16.428 -12.200 -12.251 1.00 0.00 N ATOM 326 CA GLY A 24 17.914 -12.206 -12.104 1.00 0.00 C ATOM 327 C GLY A 24 18.463 -12.236 -10.685 1.00 0.00 C ATOM 328 O GLY A 24 19.212 -13.143 -10.315 1.00 0.00 O ATOM 0 H GLY A 24 16.133 -11.863 -13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.305 -13.072 -12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.308 -11.320 -12.602 1.00 0.00 H new ATOM 332 N SER A 25 18.051 -11.234 -9.899 1.00 0.00 N ATOM 333 CA SER A 25 18.282 -11.184 -8.456 1.00 0.00 C ATOM 334 C SER A 25 17.363 -10.104 -7.852 1.00 0.00 C ATOM 335 O SER A 25 17.809 -9.041 -7.406 1.00 0.00 O ATOM 336 CB SER A 25 19.769 -10.941 -8.129 1.00 0.00 C ATOM 337 OG SER A 25 20.007 -11.023 -6.741 1.00 0.00 O ATOM 0 H SER A 25 17.541 -10.426 -10.255 1.00 0.00 H new ATOM 0 HA SER A 25 18.036 -12.147 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.383 -11.676 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 25 20.068 -9.959 -8.494 1.00 0.00 H new ATOM 0 HG SER A 25 19.612 -11.848 -6.390 1.00 0.00 H new ATOM 343 N CYS A 26 16.053 -10.374 -7.940 1.00 0.00 N ATOM 344 CA CYS A 26 14.999 -9.599 -7.254 1.00 0.00 C ATOM 345 C CYS A 26 13.759 -10.491 -7.099 1.00 0.00 C ATOM 346 O CYS A 26 13.197 -10.600 -6.000 1.00 0.00 O ATOM 347 CB CYS A 26 14.592 -8.304 -8.019 1.00 0.00 C ATOM 348 SG CYS A 26 15.916 -7.100 -8.334 1.00 0.00 S ATOM 0 H CYS A 26 15.686 -11.146 -8.496 1.00 0.00 H new ATOM 0 HA CYS A 26 15.400 -9.289 -6.289 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.160 -8.595 -8.977 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.805 -7.806 -7.452 1.00 0.00 H new ATOM 353 N ASN A 27 13.320 -11.079 -8.257 1.00 0.00 N ATOM 354 CA ASN A 27 12.050 -11.864 -8.400 1.00 0.00 C ATOM 355 C ASN A 27 10.802 -10.932 -8.374 1.00 0.00 C ATOM 356 O ASN A 27 9.680 -11.367 -8.638 1.00 0.00 O ATOM 357 CB ASN A 27 11.961 -13.015 -7.345 1.00 0.00 C ATOM 358 CG ASN A 27 10.796 -13.988 -7.562 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.702 -13.799 -7.025 1.00 0.00 O ATOM 360 ND2 ASN A 27 11.023 -15.033 -8.349 1.00 0.00 N ATOM 0 H ASN A 27 13.846 -11.019 -9.129 1.00 0.00 H new ATOM 0 HA ASN A 27 12.064 -12.344 -9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.895 -13.577 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.870 -12.574 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.280 -15.710 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.940 -15.159 -8.777 1.00 0.00 H new ATOM 367 N GLN A 28 11.035 -9.630 -8.106 1.00 0.00 N ATOM 368 CA GLN A 28 9.994 -8.599 -7.990 1.00 0.00 C ATOM 369 C GLN A 28 9.320 -8.336 -9.348 1.00 0.00 C ATOM 370 O GLN A 28 9.950 -8.472 -10.401 1.00 0.00 O ATOM 371 CB GLN A 28 10.628 -7.294 -7.470 1.00 0.00 C ATOM 372 CG GLN A 28 11.225 -7.419 -6.064 1.00 0.00 C ATOM 373 CD GLN A 28 11.828 -6.124 -5.538 1.00 0.00 C ATOM 374 OE1 GLN A 28 12.383 -5.315 -6.290 1.00 0.00 O ATOM 375 NE2 GLN A 28 11.687 -5.924 -4.248 1.00 0.00 N ATOM 0 H GLN A 28 11.976 -9.263 -7.962 1.00 0.00 H new ATOM 0 HA GLN A 28 9.233 -8.952 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.410 -6.980 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.872 -6.509 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.447 -7.753 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.995 -8.191 -6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.221 -6.624 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.044 -5.068 -3.823 1.00 0.00 H new ATOM 384 N TRP A 29 8.051 -7.933 -9.300 1.00 0.00 N ATOM 385 CA TRP A 29 7.252 -7.620 -10.485 1.00 0.00 C ATOM 386 C TRP A 29 7.194 -6.102 -10.697 1.00 0.00 C ATOM 387 O TRP A 29 6.944 -5.333 -9.762 1.00 0.00 O ATOM 388 CB TRP A 29 5.837 -8.230 -10.344 1.00 0.00 C ATOM 389 CG TRP A 29 5.796 -9.709 -10.649 1.00 0.00 C ATOM 390 CD1 TRP A 29 6.201 -10.744 -9.858 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.345 -10.295 -11.867 1.00 0.00 C ATOM 392 NE1 TRP A 29 6.000 -11.935 -10.507 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.472 -11.684 -11.743 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.815 -9.761 -13.045 1.00 0.00 C ATOM 395 CZ2 TRP A 29 5.115 -12.553 -12.767 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.459 -10.616 -14.061 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.600 -12.004 -13.916 1.00 0.00 C ATOM 0 H TRP A 29 7.541 -7.813 -8.425 1.00 0.00 H new ATOM 0 HA TRP A 29 7.721 -8.060 -11.365 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.476 -8.064 -9.329 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.154 -7.708 -11.014 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.618 -10.641 -8.867 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.210 -12.859 -10.129 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.687 -8.694 -13.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.238 -13.621 -12.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.066 -10.214 -14.983 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.298 -12.654 -14.724 1.00 0.00 H new ATOM 408 N PHE A 30 7.469 -5.699 -11.936 1.00 0.00 N ATOM 409 CA PHE A 30 7.473 -4.300 -12.382 1.00 0.00 C ATOM 410 C PHE A 30 6.595 -4.186 -13.629 1.00 0.00 C ATOM 411 O PHE A 30 6.527 -5.121 -14.412 1.00 0.00 O ATOM 412 CB PHE A 30 8.915 -3.846 -12.742 1.00 0.00 C ATOM 413 CG PHE A 30 9.894 -3.810 -11.570 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.535 -4.967 -11.131 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.178 -2.616 -10.912 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.419 -4.925 -10.070 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.065 -2.581 -9.853 1.00 0.00 C ATOM 418 CZ PHE A 30 11.685 -3.734 -9.435 1.00 0.00 C ATOM 0 H PHE A 30 7.703 -6.354 -12.682 1.00 0.00 H new ATOM 0 HA PHE A 30 7.094 -3.667 -11.579 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.310 -4.516 -13.505 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.866 -2.851 -13.185 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.339 -5.907 -11.626 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.698 -1.704 -11.234 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.903 -5.831 -9.738 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.271 -1.646 -9.353 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.380 -3.705 -8.609 1.00 0.00 H new ATOM 428 N HIS A 31 5.925 -3.041 -13.802 1.00 0.00 N ATOM 429 CA HIS A 31 5.295 -2.672 -15.100 1.00 0.00 C ATOM 430 C HIS A 31 6.437 -2.356 -16.082 1.00 0.00 C ATOM 431 O HIS A 31 7.504 -1.894 -15.654 1.00 0.00 O ATOM 432 CB HIS A 31 4.285 -1.457 -14.972 1.00 0.00 C ATOM 433 CG HIS A 31 4.047 -0.990 -13.563 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.592 -1.819 -12.581 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.458 0.129 -12.942 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.776 -1.203 -11.414 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.338 -0.007 -11.569 1.00 0.00 N ATOM 0 H HIS A 31 5.798 -2.346 -13.066 1.00 0.00 H new ATOM 0 HA HIS A 31 4.689 -3.503 -15.461 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.666 -0.621 -15.559 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.330 -1.747 -15.411 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.184 -2.744 -12.715 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.830 1.010 -13.443 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.502 -1.624 -10.458 1.00 0.00 H new ATOM 445 N GLN A 32 6.228 -2.625 -17.373 1.00 0.00 N ATOM 446 CA GLN A 32 7.227 -2.324 -18.420 1.00 0.00 C ATOM 447 C GLN A 32 7.590 -0.822 -18.406 1.00 0.00 C ATOM 448 O GLN A 32 8.760 -0.458 -18.501 1.00 0.00 O ATOM 449 CB GLN A 32 6.676 -2.742 -19.797 1.00 0.00 C ATOM 450 CG GLN A 32 6.366 -4.250 -19.928 1.00 0.00 C ATOM 451 CD GLN A 32 5.449 -4.615 -21.105 1.00 0.00 C ATOM 452 OE1 GLN A 32 5.532 -5.713 -21.638 1.00 0.00 O ATOM 453 NE2 GLN A 32 4.550 -3.718 -21.505 1.00 0.00 N ATOM 0 H GLN A 32 5.373 -3.053 -17.727 1.00 0.00 H new ATOM 0 HA GLN A 32 8.137 -2.890 -18.219 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.765 -2.177 -19.997 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.399 -2.464 -20.564 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.305 -4.793 -20.035 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.902 -4.594 -19.003 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.498 -2.808 -21.046 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.913 -3.940 -22.270 1.00 0.00 H new ATOM 462 N VAL A 33 6.568 0.025 -18.212 1.00 0.00 N ATOM 463 CA VAL A 33 6.722 1.496 -18.155 1.00 0.00 C ATOM 464 C VAL A 33 7.472 1.962 -16.879 1.00 0.00 C ATOM 465 O VAL A 33 8.102 3.026 -16.879 1.00 0.00 O ATOM 466 CB VAL A 33 5.323 2.199 -18.231 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.566 1.770 -19.515 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.482 1.916 -16.954 1.00 0.00 C ATOM 0 H VAL A 33 5.605 -0.287 -18.089 1.00 0.00 H new ATOM 0 HA VAL A 33 7.324 1.783 -19.017 1.00 0.00 H new ATOM 0 HB VAL A 33 5.485 3.276 -18.281 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.597 2.268 -19.550 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.150 2.050 -20.392 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.418 0.690 -19.507 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.517 2.416 -17.036 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.326 0.842 -16.851 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.012 2.291 -16.079 1.00 0.00 H new ATOM 478 N CYS A 34 7.369 1.153 -15.794 1.00 0.00 N ATOM 479 CA CYS A 34 8.064 1.408 -14.495 1.00 0.00 C ATOM 480 C CYS A 34 9.585 1.431 -14.704 1.00 0.00 C ATOM 481 O CYS A 34 10.305 2.207 -14.083 1.00 0.00 O ATOM 482 CB CYS A 34 7.700 0.294 -13.463 1.00 0.00 C ATOM 483 SG CYS A 34 7.892 0.700 -11.683 1.00 0.00 S ATOM 0 H CYS A 34 6.803 0.304 -15.790 1.00 0.00 H new ATOM 0 HA CYS A 34 7.738 2.375 -14.112 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.663 0.003 -13.633 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.316 -0.579 -13.678 1.00 0.00 H new ATOM 488 N VAL A 35 10.043 0.565 -15.622 1.00 0.00 N ATOM 489 CA VAL A 35 11.463 0.294 -15.855 1.00 0.00 C ATOM 490 C VAL A 35 11.913 0.721 -17.268 1.00 0.00 C ATOM 491 O VAL A 35 13.057 0.458 -17.652 1.00 0.00 O ATOM 492 CB VAL A 35 11.740 -1.231 -15.607 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.513 -1.582 -14.119 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.864 -2.127 -16.519 1.00 0.00 C ATOM 0 H VAL A 35 9.425 0.028 -16.230 1.00 0.00 H new ATOM 0 HA VAL A 35 12.049 0.890 -15.155 1.00 0.00 H new ATOM 0 HB VAL A 35 12.782 -1.426 -15.861 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.709 -2.643 -13.961 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.188 -0.992 -13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.482 -1.359 -13.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.084 -3.176 -16.318 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.811 -1.932 -16.317 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.080 -1.904 -17.564 1.00 0.00 H new ATOM 504 N GLY A 36 11.004 1.390 -18.021 1.00 0.00 N ATOM 505 CA GLY A 36 11.295 1.900 -19.378 1.00 0.00 C ATOM 506 C GLY A 36 11.741 0.810 -20.359 1.00 0.00 C ATOM 507 O GLY A 36 12.755 0.953 -21.043 1.00 0.00 O ATOM 0 H GLY A 36 10.055 1.588 -17.704 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.405 2.390 -19.772 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.074 2.660 -19.313 1.00 0.00 H new ATOM 511 N VAL A 37 10.968 -0.276 -20.402 1.00 0.00 N ATOM 512 CA VAL A 37 11.227 -1.471 -21.228 1.00 0.00 C ATOM 513 C VAL A 37 10.053 -1.667 -22.212 1.00 0.00 C ATOM 514 O VAL A 37 8.886 -1.486 -21.842 1.00 0.00 O ATOM 515 CB VAL A 37 11.425 -2.744 -20.301 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.345 -4.086 -21.077 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.767 -2.649 -19.525 1.00 0.00 C ATOM 0 H VAL A 37 10.116 -0.357 -19.848 1.00 0.00 H new ATOM 0 HA VAL A 37 12.144 -1.336 -21.801 1.00 0.00 H new ATOM 0 HB VAL A 37 10.594 -2.742 -19.595 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.489 -4.916 -20.385 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.368 -4.174 -21.551 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.123 -4.112 -21.840 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.886 -3.530 -18.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.594 -2.595 -20.233 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.764 -1.755 -18.902 1.00 0.00 H new ATOM 527 N SER A 38 10.382 -2.011 -23.469 1.00 0.00 N ATOM 528 CA SER A 38 9.385 -2.338 -24.508 1.00 0.00 C ATOM 529 C SER A 38 8.787 -3.745 -24.245 1.00 0.00 C ATOM 530 O SER A 38 9.492 -4.607 -23.717 1.00 0.00 O ATOM 531 CB SER A 38 10.049 -2.283 -25.905 1.00 0.00 C ATOM 532 OG SER A 38 10.636 -1.015 -26.143 1.00 0.00 O ATOM 0 H SER A 38 11.347 -2.071 -23.795 1.00 0.00 H new ATOM 0 HA SER A 38 8.577 -1.607 -24.475 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.811 -3.059 -25.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.304 -2.492 -26.673 1.00 0.00 H new ATOM 0 HG SER A 38 11.050 -1.008 -27.031 1.00 0.00 H new ATOM 538 N PRO A 39 7.478 -4.000 -24.574 1.00 0.00 N ATOM 539 CA PRO A 39 6.874 -5.357 -24.465 1.00 0.00 C ATOM 540 C PRO A 39 7.622 -6.425 -25.304 1.00 0.00 C ATOM 541 O PRO A 39 7.738 -7.588 -24.881 1.00 0.00 O ATOM 542 CB PRO A 39 5.402 -5.154 -24.939 1.00 0.00 C ATOM 543 CG PRO A 39 5.400 -3.835 -25.657 1.00 0.00 C ATOM 544 CD PRO A 39 6.468 -2.995 -24.999 1.00 0.00 C ATOM 0 HA PRO A 39 6.936 -5.747 -23.449 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.085 -5.962 -25.598 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.714 -5.144 -24.094 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.609 -3.969 -26.718 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.425 -3.353 -25.583 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.891 -2.267 -25.691 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.074 -2.436 -24.150 1.00 0.00 H new ATOM 552 N GLU A 40 8.156 -6.010 -26.474 1.00 0.00 N ATOM 553 CA GLU A 40 8.980 -6.890 -27.331 1.00 0.00 C ATOM 554 C GLU A 40 10.351 -7.174 -26.684 1.00 0.00 C ATOM 555 O GLU A 40 10.908 -8.252 -26.868 1.00 0.00 O ATOM 556 CB GLU A 40 9.159 -6.282 -28.741 1.00 0.00 C ATOM 557 CG GLU A 40 7.854 -6.171 -29.548 1.00 0.00 C ATOM 558 CD GLU A 40 8.057 -5.574 -30.950 1.00 0.00 C ATOM 559 OE1 GLU A 40 8.081 -4.330 -31.082 1.00 0.00 O ATOM 560 OE2 GLU A 40 8.206 -6.345 -31.927 1.00 0.00 O ATOM 0 H GLU A 40 8.030 -5.069 -26.847 1.00 0.00 H new ATOM 0 HA GLU A 40 8.452 -7.838 -27.433 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.599 -5.289 -28.644 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.869 -6.892 -29.300 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.408 -7.161 -29.643 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.145 -5.554 -28.997 1.00 0.00 H new ATOM 567 N MET A 41 10.890 -6.201 -25.917 1.00 0.00 N ATOM 568 CA MET A 41 12.134 -6.369 -25.176 1.00 0.00 C ATOM 569 C MET A 41 11.939 -7.387 -24.043 1.00 0.00 C ATOM 570 O MET A 41 12.775 -8.268 -23.834 1.00 0.00 O ATOM 571 CB MET A 41 12.584 -5.001 -24.605 1.00 0.00 C ATOM 572 CG MET A 41 13.860 -5.068 -23.793 1.00 0.00 C ATOM 573 SD MET A 41 14.343 -3.474 -23.099 1.00 0.00 S ATOM 574 CE MET A 41 15.847 -3.916 -22.241 1.00 0.00 C ATOM 0 H MET A 41 10.465 -5.281 -25.802 1.00 0.00 H new ATOM 0 HA MET A 41 12.907 -6.745 -25.846 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.725 -4.302 -25.430 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.787 -4.599 -23.980 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.731 -5.786 -22.983 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.666 -5.442 -24.424 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.265 -3.032 -21.760 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.627 -4.670 -21.486 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.568 -4.316 -22.954 1.00 0.00 H new ATOM 584 N ALA A 42 10.800 -7.257 -23.338 1.00 0.00 N ATOM 585 CA ALA A 42 10.404 -8.170 -22.248 1.00 0.00 C ATOM 586 C ALA A 42 10.143 -9.603 -22.774 1.00 0.00 C ATOM 587 O ALA A 42 10.197 -10.573 -22.017 1.00 0.00 O ATOM 588 CB ALA A 42 9.167 -7.612 -21.530 1.00 0.00 C ATOM 0 H ALA A 42 10.125 -6.512 -23.509 1.00 0.00 H new ATOM 0 HA ALA A 42 11.227 -8.236 -21.536 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.877 -8.288 -20.726 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.399 -6.632 -21.114 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.345 -7.519 -22.240 1.00 0.00 H new ATOM 594 N GLU A 43 9.841 -9.698 -24.076 1.00 0.00 N ATOM 595 CA GLU A 43 9.688 -10.971 -24.797 1.00 0.00 C ATOM 596 C GLU A 43 11.070 -11.603 -25.109 1.00 0.00 C ATOM 597 O GLU A 43 11.268 -12.812 -24.927 1.00 0.00 O ATOM 598 CB GLU A 43 8.902 -10.701 -26.112 1.00 0.00 C ATOM 599 CG GLU A 43 8.682 -11.924 -27.026 1.00 0.00 C ATOM 600 CD GLU A 43 7.928 -11.572 -28.324 1.00 0.00 C ATOM 601 OE1 GLU A 43 8.576 -11.133 -29.300 1.00 0.00 O ATOM 602 OE2 GLU A 43 6.683 -11.721 -28.378 1.00 0.00 O ATOM 0 H GLU A 43 9.694 -8.880 -24.668 1.00 0.00 H new ATOM 0 HA GLU A 43 9.140 -11.678 -24.174 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.928 -10.286 -25.852 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.433 -9.937 -26.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.648 -12.361 -27.279 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.122 -12.683 -26.480 1.00 0.00 H new ATOM 609 N LYS A 44 12.025 -10.765 -25.570 1.00 0.00 N ATOM 610 CA LYS A 44 13.344 -11.233 -26.079 1.00 0.00 C ATOM 611 C LYS A 44 14.360 -11.480 -24.952 1.00 0.00 C ATOM 612 O LYS A 44 15.327 -12.234 -25.146 1.00 0.00 O ATOM 613 CB LYS A 44 13.922 -10.221 -27.107 1.00 0.00 C ATOM 614 CG LYS A 44 13.047 -10.029 -28.365 1.00 0.00 C ATOM 615 CD LYS A 44 12.925 -11.304 -29.234 1.00 0.00 C ATOM 616 CE LYS A 44 11.903 -11.140 -30.373 1.00 0.00 C ATOM 617 NZ LYS A 44 12.198 -9.964 -31.237 1.00 0.00 N ATOM 0 H LYS A 44 11.910 -9.752 -25.602 1.00 0.00 H new ATOM 0 HA LYS A 44 13.169 -12.190 -26.571 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.051 -9.256 -26.617 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.912 -10.558 -27.414 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.050 -9.711 -28.059 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.467 -9.225 -28.970 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.900 -11.548 -29.656 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.632 -12.144 -28.604 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.896 -12.043 -30.984 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.905 -11.034 -29.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.555 -9.964 -32.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.063 -9.089 -30.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.182 -10.016 -31.570 1.00 0.00 H new ATOM 631 N GLU A 45 14.147 -10.850 -23.784 1.00 0.00 N ATOM 632 CA GLU A 45 15.065 -10.978 -22.634 1.00 0.00 C ATOM 633 C GLU A 45 14.313 -10.812 -21.305 1.00 0.00 C ATOM 634 O GLU A 45 13.160 -10.355 -21.273 1.00 0.00 O ATOM 635 CB GLU A 45 16.215 -9.927 -22.715 1.00 0.00 C ATOM 636 CG GLU A 45 15.765 -8.458 -22.561 1.00 0.00 C ATOM 637 CD GLU A 45 16.929 -7.456 -22.599 1.00 0.00 C ATOM 638 OE1 GLU A 45 17.516 -7.159 -21.531 1.00 0.00 O ATOM 639 OE2 GLU A 45 17.272 -6.964 -23.698 1.00 0.00 O ATOM 0 H GLU A 45 13.345 -10.245 -23.609 1.00 0.00 H new ATOM 0 HA GLU A 45 15.496 -11.978 -22.674 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.947 -10.151 -21.939 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.722 -10.038 -23.673 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.061 -8.216 -23.357 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.230 -8.347 -21.618 1.00 0.00 H new ATOM 646 N ASP A 46 14.994 -11.200 -20.214 1.00 0.00 N ATOM 647 CA ASP A 46 14.553 -10.921 -18.838 1.00 0.00 C ATOM 648 C ASP A 46 15.077 -9.552 -18.407 1.00 0.00 C ATOM 649 O ASP A 46 16.197 -9.169 -18.782 1.00 0.00 O ATOM 650 CB ASP A 46 15.062 -12.008 -17.859 1.00 0.00 C ATOM 651 CG ASP A 46 14.463 -13.394 -18.143 1.00 0.00 C ATOM 652 OD1 ASP A 46 13.239 -13.565 -17.957 1.00 0.00 O ATOM 653 OD2 ASP A 46 15.208 -14.317 -18.548 1.00 0.00 O ATOM 0 H ASP A 46 15.871 -11.719 -20.263 1.00 0.00 H new ATOM 0 HA ASP A 46 13.463 -10.926 -18.815 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.149 -12.067 -17.922 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.818 -11.714 -16.838 1.00 0.00 H new ATOM 658 N TYR A 47 14.268 -8.807 -17.627 1.00 0.00 N ATOM 659 CA TYR A 47 14.707 -7.537 -17.051 1.00 0.00 C ATOM 660 C TYR A 47 15.716 -7.807 -15.912 1.00 0.00 C ATOM 661 O TYR A 47 15.335 -7.999 -14.746 1.00 0.00 O ATOM 662 CB TYR A 47 13.497 -6.676 -16.573 1.00 0.00 C ATOM 663 CG TYR A 47 13.911 -5.365 -15.871 1.00 0.00 C ATOM 664 CD1 TYR A 47 14.666 -4.393 -16.540 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.601 -5.128 -14.527 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.082 -3.244 -15.899 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.013 -3.976 -13.891 1.00 0.00 C ATOM 668 CZ TYR A 47 14.756 -3.043 -14.578 1.00 0.00 C ATOM 669 OH TYR A 47 15.168 -1.897 -13.937 1.00 0.00 O ATOM 0 H TYR A 47 13.312 -9.069 -17.387 1.00 0.00 H new ATOM 0 HA TYR A 47 15.209 -6.953 -17.822 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.870 -6.436 -17.432 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.888 -7.268 -15.890 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.927 -4.546 -17.577 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.029 -5.861 -13.978 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.661 -2.505 -16.433 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.753 -3.806 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 47 14.854 -1.910 -13.009 1.00 0.00 H new ATOM 679 N ILE A 48 17.003 -7.893 -16.287 1.00 0.00 N ATOM 680 CA ILE A 48 18.113 -7.955 -15.333 1.00 0.00 C ATOM 681 C ILE A 48 18.588 -6.515 -15.107 1.00 0.00 C ATOM 682 O ILE A 48 19.232 -5.916 -15.977 1.00 0.00 O ATOM 683 CB ILE A 48 19.287 -8.864 -15.870 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.747 -10.297 -16.206 1.00 0.00 C ATOM 685 CG2 ILE A 48 20.484 -8.927 -14.872 1.00 0.00 C ATOM 686 CD1 ILE A 48 19.762 -11.238 -16.852 1.00 0.00 C ATOM 0 H ILE A 48 17.299 -7.921 -17.263 1.00 0.00 H new ATOM 0 HA ILE A 48 17.785 -8.406 -14.396 1.00 0.00 H new ATOM 0 HB ILE A 48 19.670 -8.412 -16.785 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.384 -10.756 -15.287 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.891 -10.198 -16.873 1.00 0.00 H new ATOM 0 HG21 ILE A 48 21.268 -9.563 -15.283 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.878 -7.923 -14.713 1.00 0.00 H new ATOM 0 HG23 ILE A 48 20.144 -9.339 -13.922 1.00 0.00 H new ATOM 0 HD11 ILE A 48 19.292 -12.203 -17.045 1.00 0.00 H new ATOM 0 HD12 ILE A 48 20.109 -10.809 -17.792 1.00 0.00 H new ATOM 0 HD13 ILE A 48 20.610 -11.375 -16.181 1.00 0.00 H new ATOM 698 N CYS A 49 18.197 -5.960 -13.957 1.00 0.00 N ATOM 699 CA CYS A 49 18.526 -4.579 -13.584 1.00 0.00 C ATOM 700 C CYS A 49 19.941 -4.494 -13.000 1.00 0.00 C ATOM 701 O CYS A 49 20.602 -5.527 -12.788 1.00 0.00 O ATOM 702 CB CYS A 49 17.502 -4.058 -12.556 1.00 0.00 C ATOM 703 SG CYS A 49 17.645 -4.813 -10.910 1.00 0.00 S ATOM 0 H CYS A 49 17.643 -6.454 -13.257 1.00 0.00 H new ATOM 0 HA CYS A 49 18.487 -3.960 -14.481 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.619 -2.979 -12.459 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.497 -4.237 -12.939 1.00 0.00 H new ATOM 708 N VAL A 50 20.389 -3.261 -12.719 1.00 0.00 N ATOM 709 CA VAL A 50 21.661 -3.012 -12.022 1.00 0.00 C ATOM 710 C VAL A 50 21.638 -3.646 -10.610 1.00 0.00 C ATOM 711 O VAL A 50 22.629 -4.228 -10.176 1.00 0.00 O ATOM 712 CB VAL A 50 21.974 -1.475 -11.950 1.00 0.00 C ATOM 713 CG1 VAL A 50 23.300 -1.199 -11.202 1.00 0.00 C ATOM 714 CG2 VAL A 50 21.983 -0.847 -13.370 1.00 0.00 C ATOM 0 H VAL A 50 19.882 -2.411 -12.967 1.00 0.00 H new ATOM 0 HA VAL A 50 22.462 -3.483 -12.592 1.00 0.00 H new ATOM 0 HB VAL A 50 21.178 -1.000 -11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.484 -0.125 -11.172 1.00 0.00 H new ATOM 0 HG12 VAL A 50 23.231 -1.584 -10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.121 -1.693 -11.722 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.202 0.218 -13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 50 22.746 -1.333 -13.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.007 -0.985 -13.835 1.00 0.00 H new ATOM 724 N ARG A 51 20.466 -3.586 -9.940 1.00 0.00 N ATOM 725 CA ARG A 51 20.261 -4.218 -8.612 1.00 0.00 C ATOM 726 C ARG A 51 20.462 -5.756 -8.686 1.00 0.00 C ATOM 727 O ARG A 51 20.939 -6.363 -7.733 1.00 0.00 O ATOM 728 CB ARG A 51 18.849 -3.905 -8.050 1.00 0.00 C ATOM 729 CG ARG A 51 18.484 -2.404 -8.025 1.00 0.00 C ATOM 730 CD ARG A 51 17.062 -2.129 -7.482 1.00 0.00 C ATOM 731 NE ARG A 51 16.583 -0.779 -7.844 1.00 0.00 N ATOM 732 CZ ARG A 51 16.401 0.249 -7.000 1.00 0.00 C ATOM 733 NH1 ARG A 51 16.737 0.158 -5.715 1.00 0.00 N ATOM 734 NH2 ARG A 51 15.893 1.383 -7.459 1.00 0.00 N ATOM 0 H ARG A 51 19.641 -3.104 -10.298 1.00 0.00 H new ATOM 0 HA ARG A 51 21.007 -3.796 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.108 -4.435 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 51 18.781 -4.299 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.209 -1.871 -7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.564 -2.001 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.373 -2.876 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.061 -2.235 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 51 16.371 -0.612 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.142 -0.706 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.590 0.952 -5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.644 1.468 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.750 2.171 -6.827 1.00 0.00 H new ATOM 748 N CYS A 52 20.111 -6.362 -9.849 1.00 0.00 N ATOM 749 CA CYS A 52 20.291 -7.811 -10.085 1.00 0.00 C ATOM 750 C CYS A 52 21.792 -8.157 -10.155 1.00 0.00 C ATOM 751 O CYS A 52 22.272 -9.024 -9.408 1.00 0.00 O ATOM 752 CB CYS A 52 19.579 -8.285 -11.391 1.00 0.00 C ATOM 753 SG CYS A 52 17.776 -8.557 -11.286 1.00 0.00 S ATOM 0 H CYS A 52 19.700 -5.864 -10.639 1.00 0.00 H new ATOM 0 HA CYS A 52 19.832 -8.335 -9.247 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.767 -7.546 -12.169 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.046 -9.215 -11.715 1.00 0.00 H new ATOM 758 N THR A 53 22.525 -7.449 -11.039 1.00 0.00 N ATOM 759 CA THR A 53 23.930 -7.765 -11.342 1.00 0.00 C ATOM 760 C THR A 53 24.851 -7.457 -10.128 1.00 0.00 C ATOM 761 O THR A 53 25.814 -8.184 -9.878 1.00 0.00 O ATOM 762 CB THR A 53 24.435 -7.027 -12.640 1.00 0.00 C ATOM 763 OG1 THR A 53 25.766 -7.452 -12.978 1.00 0.00 O ATOM 764 CG2 THR A 53 24.417 -5.499 -12.504 1.00 0.00 C ATOM 0 H THR A 53 22.161 -6.650 -11.557 1.00 0.00 H new ATOM 0 HA THR A 53 23.981 -8.836 -11.540 1.00 0.00 H new ATOM 0 HB THR A 53 23.739 -7.299 -13.434 1.00 0.00 H new ATOM 0 HG1 THR A 53 26.063 -6.985 -13.787 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.775 -5.047 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.399 -5.163 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.064 -5.199 -11.680 1.00 0.00 H new ATOM 772 N VAL A 54 24.505 -6.404 -9.344 1.00 0.00 N ATOM 773 CA VAL A 54 25.278 -5.995 -8.144 1.00 0.00 C ATOM 774 C VAL A 54 25.044 -6.984 -6.982 1.00 0.00 C ATOM 775 O VAL A 54 25.989 -7.333 -6.261 1.00 0.00 O ATOM 776 CB VAL A 54 24.955 -4.513 -7.703 1.00 0.00 C ATOM 777 CG1 VAL A 54 25.626 -4.149 -6.348 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.377 -3.510 -8.810 1.00 0.00 C ATOM 0 H VAL A 54 23.689 -5.819 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 54 26.334 -6.022 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 54 23.877 -4.444 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 54 25.377 -3.121 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.264 -4.822 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.708 -4.249 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 54 25.147 -2.494 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.448 -3.599 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.833 -3.732 -9.728 1.00 0.00 H new ATOM 788 N LYS A 55 23.785 -7.461 -6.818 1.00 0.00 N ATOM 789 CA LYS A 55 23.484 -8.554 -5.858 1.00 0.00 C ATOM 790 C LYS A 55 24.210 -9.845 -6.280 1.00 0.00 C ATOM 791 O LYS A 55 24.493 -10.711 -5.439 1.00 0.00 O ATOM 792 CB LYS A 55 21.964 -8.833 -5.738 1.00 0.00 C ATOM 793 CG LYS A 55 21.181 -7.835 -4.862 1.00 0.00 C ATOM 794 CD LYS A 55 19.696 -8.246 -4.689 1.00 0.00 C ATOM 795 CE LYS A 55 18.921 -7.337 -3.719 1.00 0.00 C ATOM 796 NZ LYS A 55 17.493 -7.730 -3.588 1.00 0.00 N ATOM 0 H LYS A 55 22.973 -7.113 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 55 23.839 -8.227 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.531 -8.832 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 21.826 -9.835 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 21.653 -7.766 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.232 -6.843 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.206 -8.228 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.650 -9.273 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.395 -7.370 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 55 18.980 -6.306 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.016 -7.087 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.031 -7.673 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.433 -8.705 -3.230 1.00 0.00 H new ATOM 810 N ASP A 56 24.458 -9.964 -7.609 1.00 0.00 N ATOM 811 CA ASP A 56 25.286 -11.030 -8.204 1.00 0.00 C ATOM 812 C ASP A 56 24.609 -12.424 -8.024 1.00 0.00 C ATOM 813 O ASP A 56 25.246 -13.469 -8.184 1.00 0.00 O ATOM 814 CB ASP A 56 26.725 -10.942 -7.598 1.00 0.00 C ATOM 815 CG ASP A 56 27.757 -11.889 -8.236 1.00 0.00 C ATOM 816 OD1 ASP A 56 28.223 -11.604 -9.359 1.00 0.00 O ATOM 817 OD2 ASP A 56 28.121 -12.913 -7.610 1.00 0.00 O ATOM 0 H ASP A 56 24.083 -9.314 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 56 25.375 -10.894 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 56 27.083 -9.917 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 56 26.668 -11.157 -6.531 1.00 0.00 H new ATOM 822 N ALA A 57 23.276 -12.389 -7.756 1.00 0.00 N ATOM 823 CA ALA A 57 22.462 -13.557 -7.349 1.00 0.00 C ATOM 824 C ALA A 57 23.043 -14.210 -6.060 1.00 0.00 C ATOM 825 O ALA A 57 23.889 -15.106 -6.156 1.00 0.00 O ATOM 826 CB ALA A 57 22.281 -14.571 -8.507 1.00 0.00 C ATOM 0 H ALA A 57 22.731 -11.529 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 57 21.460 -13.203 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 57 21.678 -15.411 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 57 21.781 -14.083 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 57 23.257 -14.933 -8.830 1.00 0.00 H new ATOM 832 N PRO A 58 22.609 -13.736 -4.823 1.00 0.00 N ATOM 833 CA PRO A 58 23.146 -14.218 -3.508 1.00 0.00 C ATOM 834 C PRO A 58 22.973 -15.739 -3.269 1.00 0.00 C ATOM 835 O PRO A 58 23.541 -16.298 -2.327 1.00 0.00 O ATOM 836 CB PRO A 58 22.357 -13.386 -2.462 1.00 0.00 C ATOM 837 CG PRO A 58 21.877 -12.182 -3.217 1.00 0.00 C ATOM 838 CD PRO A 58 21.579 -12.682 -4.607 1.00 0.00 C ATOM 0 HA PRO A 58 24.226 -14.081 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 58 21.523 -13.955 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 58 22.991 -13.100 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.988 -11.755 -2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 58 22.635 -11.399 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 58 20.569 -13.086 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 58 21.658 -11.885 -5.346 1.00 0.00 H new ATOM 846 N SER A 59 22.167 -16.391 -4.115 1.00 0.00 N ATOM 847 CA SER A 59 22.064 -17.852 -4.175 1.00 0.00 C ATOM 848 C SER A 59 22.555 -18.315 -5.560 1.00 0.00 C ATOM 849 O SER A 59 21.800 -18.263 -6.542 1.00 0.00 O ATOM 850 CB SER A 59 20.606 -18.293 -3.898 1.00 0.00 C ATOM 851 OG SER A 59 20.492 -19.706 -3.769 1.00 0.00 O ATOM 0 H SER A 59 21.562 -15.914 -4.783 1.00 0.00 H new ATOM 0 HA SER A 59 22.687 -18.315 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 59 20.250 -17.816 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.963 -17.950 -4.709 1.00 0.00 H new ATOM 0 HG SER A 59 19.558 -19.944 -3.594 1.00 0.00 H new ATOM 857 N ARG A 60 23.849 -18.689 -5.636 1.00 0.00 N ATOM 858 CA ARG A 60 24.456 -19.277 -6.852 1.00 0.00 C ATOM 859 C ARG A 60 23.764 -20.631 -7.113 1.00 0.00 C ATOM 860 O ARG A 60 23.203 -20.876 -8.190 1.00 0.00 O ATOM 861 CB ARG A 60 26.008 -19.437 -6.658 1.00 0.00 C ATOM 862 CG ARG A 60 26.886 -19.458 -7.944 1.00 0.00 C ATOM 863 CD ARG A 60 26.638 -20.658 -8.878 1.00 0.00 C ATOM 864 NE ARG A 60 27.549 -20.647 -10.040 1.00 0.00 N ATOM 865 CZ ARG A 60 27.219 -20.991 -11.293 1.00 0.00 C ATOM 866 NH1 ARG A 60 25.969 -21.316 -11.617 1.00 0.00 N ATOM 867 NH2 ARG A 60 28.156 -20.989 -12.224 1.00 0.00 N ATOM 0 H ARG A 60 24.503 -18.593 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 60 24.313 -18.628 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 60 26.355 -18.621 -6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 60 26.187 -20.363 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 60 26.709 -18.539 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 60 27.936 -19.456 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 60 26.771 -21.585 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 60 25.605 -20.640 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 60 28.512 -20.353 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 60 25.239 -21.307 -10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 60 25.742 -21.574 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 60 29.113 -20.729 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 60 27.923 -21.248 -13.183 1.00 0.00 H new ATOM 881 N LYS A 61 23.829 -21.485 -6.085 1.00 0.00 N ATOM 882 CA LYS A 61 23.097 -22.752 -5.994 1.00 0.00 C ATOM 883 C LYS A 61 22.594 -22.880 -4.533 1.00 0.00 C ATOM 884 O LYS A 61 21.425 -22.542 -4.262 1.00 0.00 O ATOM 885 CB LYS A 61 23.995 -23.969 -6.404 1.00 0.00 C ATOM 886 CG LYS A 61 24.422 -23.984 -7.891 1.00 0.00 C ATOM 887 CD LYS A 61 25.116 -25.299 -8.314 1.00 0.00 C ATOM 888 CE LYS A 61 25.438 -25.330 -9.816 1.00 0.00 C ATOM 889 NZ LYS A 61 24.212 -25.209 -10.652 1.00 0.00 N ATOM 890 OXT LYS A 61 23.404 -23.242 -3.650 1.00 0.00 O ATOM 0 H LYS A 61 24.412 -21.307 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 61 22.257 -22.758 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 61 24.891 -23.968 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 23.456 -24.891 -6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 61 23.543 -23.828 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.097 -23.149 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 61 26.037 -25.421 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 61 24.473 -26.143 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.123 -24.517 -10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 61 25.951 -26.261 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.430 -25.485 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.471 -25.833 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.877 -24.225 -10.637 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.941 0.566 -10.325 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.452 -6.780 -10.590 1.00 0.00 ZN