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 Set 1.1: A 25 SER OG : rot 110:sc= 0.538 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -108:sc= 0.579 (180deg=0) USER MOD Set 2.1: A 1 SER OG : rot 180:sc= 0.13 USER MOD Set 2.2: A 2 HIS : no HD1:sc= 0 X(o=0.13,f=0.13) USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.0218 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.27) USER MOD Single : A 27 ASN : amide:sc= -0.151 K(o=-0.15,f=-3.8!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) 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+ -158:sc= 0.664 (180deg=0.408) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 70:sc= 0.71 USER MOD Single : A 59 SER OG : rot 180:sc= -0.282 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 1.19 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.182 -0.516 2.162 1.00 0.00 N ATOM 2 CA SER A 1 1.242 0.895 1.744 1.00 0.00 C ATOM 3 C SER A 1 1.545 1.006 0.237 1.00 0.00 C ATOM 4 O SER A 1 0.661 1.341 -0.559 1.00 0.00 O ATOM 5 CB SER A 1 2.298 1.635 2.599 1.00 0.00 C ATOM 6 OG SER A 1 3.555 0.972 2.551 1.00 0.00 O ATOM 0 H1 SER A 1 0.426 -0.638 2.866 1.00 0.00 H new ATOM 0 H2 SER A 1 0.985 -1.115 1.335 1.00 0.00 H new ATOM 0 H3 SER A 1 2.093 -0.793 2.581 1.00 0.00 H new ATOM 0 HA SER A 1 0.273 1.366 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.409 2.658 2.239 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.955 1.696 3.632 1.00 0.00 H new ATOM 0 HG SER A 1 4.204 1.461 3.098 1.00 0.00 H new ATOM 14 N HIS A 2 2.798 0.701 -0.156 1.00 0.00 N ATOM 15 CA HIS A 2 3.259 0.823 -1.551 1.00 0.00 C ATOM 16 C HIS A 2 3.405 -0.571 -2.177 1.00 0.00 C ATOM 17 O HIS A 2 4.319 -1.328 -1.814 1.00 0.00 O ATOM 18 CB HIS A 2 4.615 1.574 -1.620 1.00 0.00 C ATOM 19 CG HIS A 2 4.590 2.975 -1.077 1.00 0.00 C ATOM 20 ND1 HIS A 2 4.304 4.088 -1.837 1.00 0.00 N ATOM 21 CD2 HIS A 2 4.837 3.434 0.179 1.00 0.00 C ATOM 22 CE1 HIS A 2 4.388 5.158 -1.043 1.00 0.00 C ATOM 23 NE2 HIS A 2 4.708 4.817 0.191 1.00 0.00 N ATOM 0 H HIS A 2 3.517 0.364 0.485 1.00 0.00 H new ATOM 0 HA HIS A 2 2.518 1.395 -2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.360 1.000 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.942 1.608 -2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.093 2.821 1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 2 4.216 6.173 -1.369 1.00 0.00 H new ATOM 0 HE2 HIS A 2 4.834 5.440 0.989 1.00 0.00 H new ATOM 31 N MET A 3 2.483 -0.924 -3.084 1.00 0.00 N ATOM 32 CA MET A 3 2.605 -2.140 -3.905 1.00 0.00 C ATOM 33 C MET A 3 3.489 -1.825 -5.118 1.00 0.00 C ATOM 34 O MET A 3 3.151 -0.927 -5.901 1.00 0.00 O ATOM 35 CB MET A 3 1.208 -2.655 -4.359 1.00 0.00 C ATOM 36 CG MET A 3 0.302 -3.098 -3.208 1.00 0.00 C ATOM 37 SD MET A 3 -1.283 -3.767 -3.768 1.00 0.00 S ATOM 38 CE MET A 3 -2.055 -4.144 -2.194 1.00 0.00 C ATOM 0 H MET A 3 1.639 -0.382 -3.269 1.00 0.00 H new ATOM 0 HA MET A 3 3.062 -2.932 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.706 -1.866 -4.919 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.346 -3.493 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.819 -3.853 -2.616 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.119 -2.248 -2.550 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.045 -4.567 -2.366 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.442 -4.864 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 3 -2.148 -3.231 -1.606 1.00 0.00 H new ATOM 48 N CYS A 4 4.626 -2.548 -5.241 1.00 0.00 N ATOM 49 CA CYS A 4 5.600 -2.364 -6.341 1.00 0.00 C ATOM 50 C CYS A 4 6.207 -0.936 -6.303 1.00 0.00 C ATOM 51 O CYS A 4 5.713 -0.048 -6.995 1.00 0.00 O ATOM 52 CB CYS A 4 4.926 -2.675 -7.713 1.00 0.00 C ATOM 53 SG CYS A 4 5.903 -2.193 -9.162 1.00 0.00 S ATOM 0 H CYS A 4 4.894 -3.276 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 4 6.423 -3.066 -6.209 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.722 -3.744 -7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.964 -2.164 -7.754 1.00 0.00 H new ATOM 58 N PRO A 5 7.260 -0.680 -5.456 1.00 0.00 N ATOM 59 CA PRO A 5 7.820 0.687 -5.259 1.00 0.00 C ATOM 60 C PRO A 5 8.660 1.185 -6.463 1.00 0.00 C ATOM 61 O PRO A 5 8.537 2.343 -6.864 1.00 0.00 O ATOM 62 CB PRO A 5 8.669 0.521 -3.970 1.00 0.00 C ATOM 63 CG PRO A 5 9.105 -0.917 -3.981 1.00 0.00 C ATOM 64 CD PRO A 5 7.965 -1.691 -4.612 1.00 0.00 C ATOM 0 HA PRO A 5 7.046 1.450 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.526 1.194 -3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.085 0.751 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.025 -1.042 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.306 -1.272 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.333 -2.524 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.302 -2.111 -3.856 1.00 0.00 H new ATOM 72 N ALA A 6 9.500 0.285 -7.011 1.00 0.00 N ATOM 73 CA ALA A 6 10.371 0.515 -8.205 1.00 0.00 C ATOM 74 C ALA A 6 11.139 1.873 -8.211 1.00 0.00 C ATOM 75 O ALA A 6 11.548 2.337 -9.279 1.00 0.00 O ATOM 76 CB ALA A 6 9.523 0.344 -9.481 1.00 0.00 C ATOM 0 H ALA A 6 9.602 -0.656 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 6 11.162 -0.234 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.148 0.510 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.113 -0.665 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.707 1.067 -9.475 1.00 0.00 H new ATOM 82 N VAL A 7 11.384 2.447 -7.011 1.00 0.00 N ATOM 83 CA VAL A 7 11.840 3.845 -6.816 1.00 0.00 C ATOM 84 C VAL A 7 10.789 4.833 -7.397 1.00 0.00 C ATOM 85 O VAL A 7 10.042 5.472 -6.651 1.00 0.00 O ATOM 86 CB VAL A 7 13.279 4.114 -7.414 1.00 0.00 C ATOM 87 CG1 VAL A 7 13.717 5.576 -7.193 1.00 0.00 C ATOM 88 CG2 VAL A 7 14.324 3.130 -6.837 1.00 0.00 C ATOM 0 H VAL A 7 11.268 1.942 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 7 11.929 4.012 -5.742 1.00 0.00 H new ATOM 0 HB VAL A 7 13.219 3.944 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.710 5.726 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.009 6.246 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.741 5.791 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.302 3.343 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.373 3.245 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.035 2.108 -7.081 1.00 0.00 H new ATOM 98 N SER A 8 10.729 4.915 -8.734 1.00 0.00 N ATOM 99 CA SER A 8 9.687 5.638 -9.468 1.00 0.00 C ATOM 100 C SER A 8 8.709 4.622 -10.075 1.00 0.00 C ATOM 101 O SER A 8 8.911 4.129 -11.197 1.00 0.00 O ATOM 102 CB SER A 8 10.325 6.521 -10.563 1.00 0.00 C ATOM 103 OG SER A 8 11.198 7.470 -9.986 1.00 0.00 O ATOM 0 H SER A 8 11.416 4.472 -9.344 1.00 0.00 H new ATOM 0 HA SER A 8 9.140 6.293 -8.790 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.872 5.897 -11.269 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.545 7.032 -11.127 1.00 0.00 H new ATOM 0 HG SER A 8 11.596 8.021 -10.692 1.00 0.00 H new ATOM 109 N CYS A 9 7.687 4.253 -9.292 1.00 0.00 N ATOM 110 CA CYS A 9 6.641 3.329 -9.737 1.00 0.00 C ATOM 111 C CYS A 9 5.623 4.064 -10.609 1.00 0.00 C ATOM 112 O CYS A 9 4.611 4.574 -10.104 1.00 0.00 O ATOM 113 CB CYS A 9 5.954 2.631 -8.538 1.00 0.00 C ATOM 114 SG CYS A 9 4.580 1.526 -9.000 1.00 0.00 S ATOM 0 H CYS A 9 7.564 4.586 -8.336 1.00 0.00 H new ATOM 0 HA CYS A 9 7.108 2.548 -10.337 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.701 2.054 -7.992 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.578 3.393 -7.856 1.00 0.00 H new ATOM 119 N LEU A 10 5.941 4.180 -11.916 1.00 0.00 N ATOM 120 CA LEU A 10 4.968 4.616 -12.932 1.00 0.00 C ATOM 121 C LEU A 10 3.883 3.544 -13.002 1.00 0.00 C ATOM 122 O LEU A 10 4.117 2.475 -13.570 1.00 0.00 O ATOM 123 CB LEU A 10 5.634 4.806 -14.325 1.00 0.00 C ATOM 124 CG LEU A 10 6.872 5.750 -14.382 1.00 0.00 C ATOM 125 CD1 LEU A 10 7.394 5.895 -15.827 1.00 0.00 C ATOM 126 CD2 LEU A 10 6.566 7.129 -13.757 1.00 0.00 C ATOM 0 H LEU A 10 6.868 3.976 -12.290 1.00 0.00 H new ATOM 0 HA LEU A 10 4.550 5.584 -12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.935 3.826 -14.695 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.881 5.189 -15.013 1.00 0.00 H new ATOM 0 HG LEU A 10 7.661 5.291 -13.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.258 6.559 -15.837 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.684 4.916 -16.209 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.609 6.312 -16.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.453 7.760 -13.815 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.748 7.602 -14.301 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.280 7.000 -12.713 1.00 0.00 H new ATOM 138 N GLN A 11 2.737 3.821 -12.371 1.00 0.00 N ATOM 139 CA GLN A 11 1.699 2.826 -12.071 1.00 0.00 C ATOM 140 C GLN A 11 0.423 3.096 -12.903 1.00 0.00 C ATOM 141 O GLN A 11 -0.372 3.984 -12.573 1.00 0.00 O ATOM 142 CB GLN A 11 1.413 2.809 -10.540 1.00 0.00 C ATOM 143 CG GLN A 11 1.101 4.187 -9.915 1.00 0.00 C ATOM 144 CD GLN A 11 0.439 4.082 -8.549 1.00 0.00 C ATOM 145 OE1 GLN A 11 1.098 4.120 -7.511 1.00 0.00 O ATOM 146 NE2 GLN A 11 -0.861 3.866 -8.563 1.00 0.00 N ATOM 0 H GLN A 11 2.500 4.759 -12.048 1.00 0.00 H new ATOM 0 HA GLN A 11 2.054 1.835 -12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.571 2.143 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.277 2.383 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.026 4.756 -9.822 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.449 4.746 -10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.365 3.843 -9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.363 3.721 -7.687 1.00 0.00 H new ATOM 155 N PRO A 12 0.262 2.389 -14.068 1.00 0.00 N ATOM 156 CA PRO A 12 -1.028 2.294 -14.781 1.00 0.00 C ATOM 157 C PRO A 12 -2.163 1.802 -13.864 1.00 0.00 C ATOM 158 O PRO A 12 -1.919 1.041 -12.911 1.00 0.00 O ATOM 159 CB PRO A 12 -0.749 1.272 -15.907 1.00 0.00 C ATOM 160 CG PRO A 12 0.724 1.376 -16.146 1.00 0.00 C ATOM 161 CD PRO A 12 1.340 1.701 -14.810 1.00 0.00 C ATOM 0 HA PRO A 12 -1.363 3.263 -15.151 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.033 0.263 -15.607 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.316 1.508 -16.808 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.122 0.442 -16.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.947 2.153 -16.878 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.666 0.799 -14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.217 2.339 -14.921 1.00 0.00 H new ATOM 169 N GLU A 13 -3.391 2.246 -14.167 1.00 0.00 N ATOM 170 CA GLU A 13 -4.579 1.895 -13.384 1.00 0.00 C ATOM 171 C GLU A 13 -4.953 0.406 -13.591 1.00 0.00 C ATOM 172 O GLU A 13 -5.671 0.034 -14.527 1.00 0.00 O ATOM 173 CB GLU A 13 -5.750 2.865 -13.698 1.00 0.00 C ATOM 174 CG GLU A 13 -6.133 3.024 -15.186 1.00 0.00 C ATOM 175 CD GLU A 13 -7.292 4.013 -15.389 1.00 0.00 C ATOM 176 OE1 GLU A 13 -8.463 3.623 -15.187 1.00 0.00 O ATOM 177 OE2 GLU A 13 -7.040 5.198 -15.710 1.00 0.00 O ATOM 0 H GLU A 13 -3.586 2.857 -14.960 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.354 2.013 -12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.631 2.524 -13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.493 3.849 -13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.264 3.366 -15.748 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.413 2.052 -15.593 1.00 0.00 H new ATOM 184 N GLY A 14 -4.374 -0.440 -12.722 1.00 0.00 N ATOM 185 CA GLY A 14 -4.612 -1.880 -12.725 1.00 0.00 C ATOM 186 C GLY A 14 -3.824 -2.623 -13.796 1.00 0.00 C ATOM 187 O GLY A 14 -2.723 -2.206 -14.181 1.00 0.00 O ATOM 0 H GLY A 14 -3.725 -0.135 -11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.352 -2.285 -11.747 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.676 -2.064 -12.874 1.00 0.00 H new ATOM 191 N ASP A 15 -4.406 -3.728 -14.284 1.00 0.00 N ATOM 192 CA ASP A 15 -3.793 -4.603 -15.290 1.00 0.00 C ATOM 193 C ASP A 15 -4.409 -4.291 -16.663 1.00 0.00 C ATOM 194 O ASP A 15 -5.383 -4.912 -17.090 1.00 0.00 O ATOM 195 CB ASP A 15 -3.992 -6.086 -14.892 1.00 0.00 C ATOM 196 CG ASP A 15 -3.397 -7.086 -15.908 1.00 0.00 C ATOM 197 OD1 ASP A 15 -2.154 -7.173 -16.010 1.00 0.00 O ATOM 198 OD2 ASP A 15 -4.172 -7.802 -16.586 1.00 0.00 O ATOM 0 H ASP A 15 -5.329 -4.042 -13.986 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.719 -4.423 -15.346 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.534 -6.256 -13.917 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.058 -6.284 -14.782 1.00 0.00 H new ATOM 203 N GLU A 16 -3.872 -3.248 -17.294 1.00 0.00 N ATOM 204 CA GLU A 16 -4.250 -2.822 -18.658 1.00 0.00 C ATOM 205 C GLU A 16 -2.971 -2.686 -19.535 1.00 0.00 C ATOM 206 O GLU A 16 -3.011 -2.181 -20.664 1.00 0.00 O ATOM 207 CB GLU A 16 -5.051 -1.476 -18.565 1.00 0.00 C ATOM 208 CG GLU A 16 -5.602 -0.904 -19.896 1.00 0.00 C ATOM 209 CD GLU A 16 -6.638 -1.805 -20.606 1.00 0.00 C ATOM 210 OE1 GLU A 16 -6.250 -2.853 -21.174 1.00 0.00 O ATOM 211 OE2 GLU A 16 -7.840 -1.460 -20.614 1.00 0.00 O ATOM 0 H GLU A 16 -3.151 -2.661 -16.874 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.891 -3.565 -19.132 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.890 -1.625 -17.885 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.404 -0.725 -18.113 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.059 0.065 -19.698 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.767 -0.730 -20.574 1.00 0.00 H new ATOM 218 N VAL A 17 -1.828 -3.177 -19.012 1.00 0.00 N ATOM 219 CA VAL A 17 -0.498 -3.003 -19.647 1.00 0.00 C ATOM 220 C VAL A 17 0.314 -4.307 -19.633 1.00 0.00 C ATOM 221 O VAL A 17 -0.038 -5.280 -18.952 1.00 0.00 O ATOM 222 CB VAL A 17 0.343 -1.874 -18.931 1.00 0.00 C ATOM 223 CG1 VAL A 17 -0.252 -0.472 -19.201 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.457 -2.156 -17.407 1.00 0.00 C ATOM 0 H VAL A 17 -1.797 -3.705 -18.140 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.689 -2.712 -20.680 1.00 0.00 H new ATOM 0 HB VAL A 17 1.349 -1.886 -19.351 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.350 0.282 -18.694 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.251 -0.277 -20.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.275 -0.432 -18.826 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.040 -1.366 -16.933 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.540 -2.185 -16.967 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.951 -3.115 -17.250 1.00 0.00 H new ATOM 234 N ASP A 18 1.418 -4.289 -20.396 1.00 0.00 N ATOM 235 CA ASP A 18 2.415 -5.369 -20.420 1.00 0.00 C ATOM 236 C ASP A 18 3.253 -5.308 -19.141 1.00 0.00 C ATOM 237 O ASP A 18 3.588 -4.222 -18.675 1.00 0.00 O ATOM 238 CB ASP A 18 3.354 -5.223 -21.646 1.00 0.00 C ATOM 239 CG ASP A 18 2.596 -5.156 -22.978 1.00 0.00 C ATOM 240 OD1 ASP A 18 2.228 -6.221 -23.513 1.00 0.00 O ATOM 241 OD2 ASP A 18 2.345 -4.037 -23.481 1.00 0.00 O ATOM 0 H ASP A 18 1.645 -3.515 -21.020 1.00 0.00 H new ATOM 0 HA ASP A 18 1.893 -6.324 -20.488 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.955 -4.321 -21.531 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.045 -6.066 -21.670 1.00 0.00 H new ATOM 246 N TRP A 19 3.556 -6.473 -18.566 1.00 0.00 N ATOM 247 CA TRP A 19 4.402 -6.601 -17.370 1.00 0.00 C ATOM 248 C TRP A 19 5.684 -7.382 -17.714 1.00 0.00 C ATOM 249 O TRP A 19 5.861 -7.846 -18.849 1.00 0.00 O ATOM 250 CB TRP A 19 3.613 -7.290 -16.212 1.00 0.00 C ATOM 251 CG TRP A 19 2.492 -6.473 -15.578 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.916 -5.313 -16.028 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.813 -6.788 -14.356 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.943 -4.894 -15.159 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.856 -5.782 -14.132 1.00 0.00 C ATOM 256 CE3 TRP A 19 1.918 -7.831 -13.437 1.00 0.00 C ATOM 257 CZ2 TRP A 19 0.027 -5.779 -13.015 1.00 0.00 C ATOM 258 CZ3 TRP A 19 1.098 -7.828 -12.332 1.00 0.00 C ATOM 259 CH2 TRP A 19 0.157 -6.812 -12.129 1.00 0.00 C ATOM 0 H TRP A 19 3.218 -7.368 -18.920 1.00 0.00 H new ATOM 0 HA TRP A 19 4.689 -5.606 -17.029 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.186 -8.218 -16.593 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.322 -7.563 -15.430 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.190 -4.802 -16.939 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.376 -4.053 -15.265 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.631 -8.628 -13.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.693 -4.990 -12.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.182 -8.625 -11.608 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.478 -6.845 -11.256 1.00 0.00 H new ATOM 270 N VAL A 20 6.583 -7.482 -16.724 1.00 0.00 N ATOM 271 CA VAL A 20 7.863 -8.206 -16.837 1.00 0.00 C ATOM 272 C VAL A 20 8.389 -8.510 -15.423 1.00 0.00 C ATOM 273 O VAL A 20 8.312 -7.662 -14.528 1.00 0.00 O ATOM 274 CB VAL A 20 8.938 -7.394 -17.669 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.309 -6.044 -16.994 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.200 -8.250 -17.962 1.00 0.00 C ATOM 0 H VAL A 20 6.442 -7.057 -15.808 1.00 0.00 H new ATOM 0 HA VAL A 20 7.687 -9.135 -17.379 1.00 0.00 H new ATOM 0 HB VAL A 20 8.476 -7.151 -18.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.049 -5.524 -17.602 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.416 -5.426 -16.902 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.722 -6.234 -16.003 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.915 -7.660 -18.535 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.656 -8.560 -17.022 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.916 -9.132 -18.536 1.00 0.00 H new ATOM 286 N GLN A 21 8.915 -9.718 -15.219 1.00 0.00 N ATOM 287 CA GLN A 21 9.406 -10.149 -13.903 1.00 0.00 C ATOM 288 C GLN A 21 10.940 -10.050 -13.861 1.00 0.00 C ATOM 289 O GLN A 21 11.613 -10.322 -14.861 1.00 0.00 O ATOM 290 CB GLN A 21 8.925 -11.590 -13.603 1.00 0.00 C ATOM 291 CG GLN A 21 9.142 -12.046 -12.147 1.00 0.00 C ATOM 292 CD GLN A 21 8.593 -13.446 -11.863 1.00 0.00 C ATOM 293 OE1 GLN A 21 8.593 -14.315 -12.733 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.094 -13.667 -10.653 1.00 0.00 N ATOM 0 H GLN A 21 9.014 -10.421 -15.951 1.00 0.00 H new ATOM 0 HA GLN A 21 9.002 -9.494 -13.131 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.863 -11.661 -13.838 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.446 -12.279 -14.268 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.209 -12.029 -11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.664 -11.333 -11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.108 -12.926 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.696 -14.578 -10.424 1.00 0.00 H new ATOM 303 N CYS A 22 11.486 -9.644 -12.701 1.00 0.00 N ATOM 304 CA CYS A 22 12.944 -9.547 -12.483 1.00 0.00 C ATOM 305 C CYS A 22 13.401 -10.560 -11.436 1.00 0.00 C ATOM 306 O CYS A 22 13.644 -10.196 -10.287 1.00 0.00 O ATOM 307 CB CYS A 22 13.373 -8.125 -12.052 1.00 0.00 C ATOM 308 SG CYS A 22 15.154 -8.009 -11.648 1.00 0.00 S ATOM 0 H CYS A 22 10.932 -9.374 -11.888 1.00 0.00 H new ATOM 0 HA CYS A 22 13.423 -9.769 -13.437 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.141 -7.423 -12.853 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.788 -7.822 -11.183 1.00 0.00 H new ATOM 313 N ASP A 23 13.522 -11.833 -11.827 1.00 0.00 N ATOM 314 CA ASP A 23 14.024 -12.885 -10.930 1.00 0.00 C ATOM 315 C ASP A 23 15.560 -12.784 -10.862 1.00 0.00 C ATOM 316 O ASP A 23 16.283 -13.443 -11.614 1.00 0.00 O ATOM 317 CB ASP A 23 13.559 -14.294 -11.390 1.00 0.00 C ATOM 318 CG ASP A 23 13.893 -15.397 -10.356 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.168 -15.497 -9.341 1.00 0.00 O ATOM 320 OD2 ASP A 23 14.851 -16.186 -10.557 1.00 0.00 O ATOM 0 H ASP A 23 13.279 -12.163 -12.761 1.00 0.00 H new ATOM 0 HA ASP A 23 13.611 -12.739 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.483 -14.279 -11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.033 -14.537 -12.341 1.00 0.00 H new ATOM 325 N GLY A 24 16.019 -11.843 -10.026 1.00 0.00 N ATOM 326 CA GLY A 24 17.442 -11.610 -9.767 1.00 0.00 C ATOM 327 C GLY A 24 17.624 -10.951 -8.414 1.00 0.00 C ATOM 328 O GLY A 24 18.202 -11.543 -7.499 1.00 0.00 O ATOM 0 H GLY A 24 15.404 -11.217 -9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.984 -12.555 -9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.863 -10.977 -10.548 1.00 0.00 H new ATOM 332 N SER A 25 17.120 -9.703 -8.292 1.00 0.00 N ATOM 333 CA SER A 25 17.137 -8.933 -7.029 1.00 0.00 C ATOM 334 C SER A 25 15.957 -7.933 -7.026 1.00 0.00 C ATOM 335 O SER A 25 16.133 -6.716 -6.909 1.00 0.00 O ATOM 336 CB SER A 25 18.494 -8.209 -6.837 1.00 0.00 C ATOM 337 OG SER A 25 19.592 -9.086 -7.019 1.00 0.00 O ATOM 0 H SER A 25 16.689 -9.201 -9.068 1.00 0.00 H new ATOM 0 HA SER A 25 17.020 -9.618 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.568 -7.383 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.537 -7.777 -5.837 1.00 0.00 H new ATOM 0 HG SER A 25 20.060 -8.857 -7.849 1.00 0.00 H new ATOM 343 N CYS A 26 14.758 -8.493 -7.199 1.00 0.00 N ATOM 344 CA CYS A 26 13.471 -7.764 -7.128 1.00 0.00 C ATOM 345 C CYS A 26 12.380 -8.811 -6.919 1.00 0.00 C ATOM 346 O CYS A 26 11.552 -8.717 -6.011 1.00 0.00 O ATOM 347 CB CYS A 26 13.155 -6.948 -8.418 1.00 0.00 C ATOM 348 SG CYS A 26 14.302 -5.599 -8.840 1.00 0.00 S ATOM 0 H CYS A 26 14.642 -9.487 -7.397 1.00 0.00 H new ATOM 0 HA CYS A 26 13.524 -7.042 -6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.122 -7.641 -9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.156 -6.524 -8.315 1.00 0.00 H new ATOM 353 N ASN A 27 12.407 -9.805 -7.834 1.00 0.00 N ATOM 354 CA ASN A 27 11.574 -11.029 -7.821 1.00 0.00 C ATOM 355 C ASN A 27 10.062 -10.744 -7.926 1.00 0.00 C ATOM 356 O ASN A 27 9.239 -11.643 -7.765 1.00 0.00 O ATOM 357 CB ASN A 27 11.932 -11.909 -6.591 1.00 0.00 C ATOM 358 CG ASN A 27 13.381 -12.425 -6.614 1.00 0.00 C ATOM 359 OD1 ASN A 27 14.285 -11.798 -7.189 1.00 0.00 O ATOM 360 ND2 ASN A 27 13.616 -13.559 -5.972 1.00 0.00 N ATOM 0 H ASN A 27 13.036 -9.775 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 27 11.811 -11.592 -8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.774 -11.331 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.251 -12.759 -6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.561 -13.941 -5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.852 -14.051 -5.509 1.00 0.00 H new ATOM 367 N GLN A 28 9.710 -9.493 -8.257 1.00 0.00 N ATOM 368 CA GLN A 28 8.321 -9.071 -8.454 1.00 0.00 C ATOM 369 C GLN A 28 8.052 -8.859 -9.941 1.00 0.00 C ATOM 370 O GLN A 28 8.984 -8.800 -10.766 1.00 0.00 O ATOM 371 CB GLN A 28 8.031 -7.754 -7.686 1.00 0.00 C ATOM 372 CG GLN A 28 8.308 -7.805 -6.178 1.00 0.00 C ATOM 373 CD GLN A 28 7.887 -6.520 -5.464 1.00 0.00 C ATOM 374 OE1 GLN A 28 8.651 -5.556 -5.382 1.00 0.00 O ATOM 375 NE2 GLN A 28 6.664 -6.493 -4.960 1.00 0.00 N ATOM 0 H GLN A 28 10.387 -8.743 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 28 7.667 -9.853 -8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.632 -6.957 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.986 -7.485 -7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.776 -8.651 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.371 -7.978 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.059 -7.309 -5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.326 -5.656 -4.485 1.00 0.00 H new ATOM 384 N TRP A 29 6.765 -8.749 -10.258 1.00 0.00 N ATOM 385 CA TRP A 29 6.285 -8.327 -11.568 1.00 0.00 C ATOM 386 C TRP A 29 6.197 -6.795 -11.600 1.00 0.00 C ATOM 387 O TRP A 29 5.766 -6.161 -10.626 1.00 0.00 O ATOM 388 CB TRP A 29 4.915 -8.982 -11.863 1.00 0.00 C ATOM 389 CG TRP A 29 5.006 -10.468 -12.122 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.238 -11.462 -11.210 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.868 -11.113 -13.389 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.269 -12.677 -11.842 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.047 -12.490 -13.180 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.625 -10.650 -14.682 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.976 -13.414 -14.217 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.553 -11.563 -15.714 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.737 -12.935 -15.476 1.00 0.00 C ATOM 0 H TRP A 29 6.014 -8.955 -9.599 1.00 0.00 H new ATOM 0 HA TRP A 29 6.979 -8.649 -12.345 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.248 -8.808 -11.019 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.467 -8.496 -12.730 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.376 -11.311 -10.150 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.431 -13.576 -11.389 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.495 -9.595 -14.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.105 -14.471 -14.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.353 -11.218 -16.718 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.689 -13.626 -16.304 1.00 0.00 H new ATOM 408 N PHE A 30 6.634 -6.212 -12.712 1.00 0.00 N ATOM 409 CA PHE A 30 6.678 -4.759 -12.923 1.00 0.00 C ATOM 410 C PHE A 30 6.049 -4.437 -14.276 1.00 0.00 C ATOM 411 O PHE A 30 6.365 -5.084 -15.275 1.00 0.00 O ATOM 412 CB PHE A 30 8.140 -4.221 -12.883 1.00 0.00 C ATOM 413 CG PHE A 30 8.831 -4.404 -11.537 1.00 0.00 C ATOM 414 CD1 PHE A 30 8.680 -3.459 -10.521 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.623 -5.518 -11.289 1.00 0.00 C ATOM 416 CE1 PHE A 30 9.304 -3.627 -9.298 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.243 -5.686 -10.071 1.00 0.00 C ATOM 418 CZ PHE A 30 10.086 -4.742 -9.075 1.00 0.00 C ATOM 0 H PHE A 30 6.976 -6.744 -13.512 1.00 0.00 H new ATOM 0 HA PHE A 30 6.123 -4.274 -12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.724 -4.728 -13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.133 -3.161 -13.135 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.068 -2.586 -10.692 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.754 -6.262 -12.061 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.180 -2.888 -8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.854 -6.559 -9.894 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.575 -4.876 -8.122 1.00 0.00 H new ATOM 428 N HIS A 31 5.159 -3.438 -14.286 1.00 0.00 N ATOM 429 CA HIS A 31 4.588 -2.850 -15.527 1.00 0.00 C ATOM 430 C HIS A 31 5.744 -2.343 -16.416 1.00 0.00 C ATOM 431 O HIS A 31 6.774 -1.895 -15.894 1.00 0.00 O ATOM 432 CB HIS A 31 3.549 -1.698 -15.210 1.00 0.00 C ATOM 433 CG HIS A 31 3.294 -1.481 -13.737 1.00 0.00 C ATOM 434 ND1 HIS A 31 2.850 -2.459 -12.879 1.00 0.00 N ATOM 435 CD2 HIS A 31 3.703 -0.481 -12.961 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.062 -2.012 -11.631 1.00 0.00 C ATOM 437 NE2 HIS A 31 3.616 -0.805 -11.632 1.00 0.00 N ATOM 0 H HIS A 31 4.805 -3.004 -13.433 1.00 0.00 H new ATOM 0 HA HIS A 31 4.032 -3.620 -16.062 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.912 -0.767 -15.645 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.604 -1.932 -15.700 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.438 -3.354 -13.141 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.059 0.469 -13.332 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.813 -2.565 -10.737 1.00 0.00 H new ATOM 445 N GLN A 32 5.557 -2.423 -17.739 1.00 0.00 N ATOM 446 CA GLN A 32 6.587 -2.129 -18.732 1.00 0.00 C ATOM 447 C GLN A 32 7.143 -0.702 -18.550 1.00 0.00 C ATOM 448 O GLN A 32 8.357 -0.485 -18.536 1.00 0.00 O ATOM 449 CB GLN A 32 5.982 -2.301 -20.148 1.00 0.00 C ATOM 450 CG GLN A 32 7.024 -2.402 -21.263 1.00 0.00 C ATOM 451 CD GLN A 32 6.425 -2.452 -22.669 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.254 -1.426 -23.329 1.00 0.00 O ATOM 453 NE2 GLN A 32 6.082 -3.649 -23.126 1.00 0.00 N ATOM 0 H GLN A 32 4.667 -2.700 -18.153 1.00 0.00 H new ATOM 0 HA GLN A 32 7.418 -2.822 -18.601 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.363 -3.198 -20.161 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.324 -1.457 -20.355 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.697 -1.548 -21.196 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.627 -3.296 -21.104 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.238 -4.478 -22.552 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.662 -3.741 -24.051 1.00 0.00 H new ATOM 462 N VAL A 33 6.218 0.246 -18.356 1.00 0.00 N ATOM 463 CA VAL A 33 6.546 1.668 -18.187 1.00 0.00 C ATOM 464 C VAL A 33 7.216 1.942 -16.822 1.00 0.00 C ATOM 465 O VAL A 33 8.033 2.857 -16.710 1.00 0.00 O ATOM 466 CB VAL A 33 5.261 2.563 -18.359 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.543 2.240 -19.694 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.285 2.426 -17.157 1.00 0.00 C ATOM 0 H VAL A 33 5.218 0.049 -18.312 1.00 0.00 H new ATOM 0 HA VAL A 33 7.261 1.931 -18.966 1.00 0.00 H new ATOM 0 HB VAL A 33 5.592 3.601 -18.384 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.658 2.869 -19.793 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.220 2.432 -20.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.245 1.191 -19.703 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.415 3.061 -17.321 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.965 1.388 -17.065 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.790 2.732 -16.241 1.00 0.00 H new ATOM 478 N CYS A 34 6.866 1.115 -15.800 1.00 0.00 N ATOM 479 CA CYS A 34 7.343 1.298 -14.397 1.00 0.00 C ATOM 480 C CYS A 34 8.872 1.378 -14.301 1.00 0.00 C ATOM 481 O CYS A 34 9.417 2.326 -13.744 1.00 0.00 O ATOM 482 CB CYS A 34 6.851 0.144 -13.508 1.00 0.00 C ATOM 483 SG CYS A 34 7.007 0.426 -11.720 1.00 0.00 S ATOM 0 H CYS A 34 6.252 0.310 -15.921 1.00 0.00 H new ATOM 0 HA CYS A 34 6.930 2.246 -14.052 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.804 -0.051 -13.739 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.407 -0.757 -13.768 1.00 0.00 H new ATOM 488 N VAL A 35 9.541 0.369 -14.869 1.00 0.00 N ATOM 489 CA VAL A 35 11.010 0.267 -14.878 1.00 0.00 C ATOM 490 C VAL A 35 11.594 0.818 -16.189 1.00 0.00 C ATOM 491 O VAL A 35 12.818 0.907 -16.341 1.00 0.00 O ATOM 492 CB VAL A 35 11.465 -1.222 -14.649 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.133 -1.686 -13.208 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.827 -2.177 -15.698 1.00 0.00 C ATOM 0 H VAL A 35 9.077 -0.408 -15.340 1.00 0.00 H new ATOM 0 HA VAL A 35 11.394 0.873 -14.058 1.00 0.00 H new ATOM 0 HB VAL A 35 12.547 -1.261 -14.779 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.457 -2.718 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.650 -1.048 -12.492 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.058 -1.619 -13.043 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.162 -3.198 -15.512 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.741 -2.131 -15.619 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.131 -1.873 -16.700 1.00 0.00 H new ATOM 504 N GLY A 36 10.696 1.187 -17.131 1.00 0.00 N ATOM 505 CA GLY A 36 11.083 1.676 -18.457 1.00 0.00 C ATOM 506 C GLY A 36 11.836 0.633 -19.268 1.00 0.00 C ATOM 507 O GLY A 36 12.796 0.958 -19.979 1.00 0.00 O ATOM 0 H GLY A 36 9.687 1.151 -16.985 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.190 1.980 -19.003 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.706 2.563 -18.345 1.00 0.00 H new ATOM 511 N VAL A 37 11.408 -0.634 -19.126 1.00 0.00 N ATOM 512 CA VAL A 37 12.037 -1.779 -19.785 1.00 0.00 C ATOM 513 C VAL A 37 11.791 -1.735 -21.302 1.00 0.00 C ATOM 514 O VAL A 37 10.732 -1.280 -21.758 1.00 0.00 O ATOM 515 CB VAL A 37 11.514 -3.137 -19.180 1.00 0.00 C ATOM 516 CG1 VAL A 37 10.007 -3.324 -19.408 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.303 -4.343 -19.709 1.00 0.00 C ATOM 0 H VAL A 37 10.609 -0.888 -18.545 1.00 0.00 H new ATOM 0 HA VAL A 37 13.111 -1.720 -19.607 1.00 0.00 H new ATOM 0 HB VAL A 37 11.680 -3.081 -18.104 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.688 -4.272 -18.975 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.463 -2.508 -18.933 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.798 -3.325 -20.478 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.909 -5.258 -19.266 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.206 -4.394 -20.793 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.355 -4.235 -19.443 1.00 0.00 H new ATOM 527 N SER A 38 12.803 -2.178 -22.056 1.00 0.00 N ATOM 528 CA SER A 38 12.718 -2.375 -23.504 1.00 0.00 C ATOM 529 C SER A 38 11.585 -3.375 -23.819 1.00 0.00 C ATOM 530 O SER A 38 11.531 -4.424 -23.174 1.00 0.00 O ATOM 531 CB SER A 38 14.075 -2.910 -24.016 1.00 0.00 C ATOM 532 OG SER A 38 15.133 -2.046 -23.638 1.00 0.00 O ATOM 0 H SER A 38 13.717 -2.413 -21.670 1.00 0.00 H new ATOM 0 HA SER A 38 12.496 -1.431 -24.002 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.253 -3.907 -23.614 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.047 -3.005 -25.102 1.00 0.00 H new ATOM 0 HG SER A 38 15.982 -2.404 -23.971 1.00 0.00 H new ATOM 538 N PRO A 39 10.647 -3.062 -24.781 1.00 0.00 N ATOM 539 CA PRO A 39 9.546 -3.988 -25.183 1.00 0.00 C ATOM 540 C PRO A 39 10.073 -5.385 -25.597 1.00 0.00 C ATOM 541 O PRO A 39 9.367 -6.389 -25.466 1.00 0.00 O ATOM 542 CB PRO A 39 8.862 -3.255 -26.377 1.00 0.00 C ATOM 543 CG PRO A 39 9.838 -2.191 -26.793 1.00 0.00 C ATOM 544 CD PRO A 39 10.561 -1.783 -25.534 1.00 0.00 C ATOM 0 HA PRO A 39 8.859 -4.191 -24.361 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.656 -3.943 -27.197 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.908 -2.820 -26.079 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.536 -2.571 -27.539 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.323 -1.341 -27.241 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.547 -1.371 -25.748 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.012 -1.022 -24.979 1.00 0.00 H new ATOM 552 N GLU A 40 11.336 -5.421 -26.075 1.00 0.00 N ATOM 553 CA GLU A 40 12.060 -6.666 -26.383 1.00 0.00 C ATOM 554 C GLU A 40 12.248 -7.511 -25.102 1.00 0.00 C ATOM 555 O GLU A 40 11.850 -8.671 -25.063 1.00 0.00 O ATOM 556 CB GLU A 40 13.429 -6.328 -27.031 1.00 0.00 C ATOM 557 CG GLU A 40 13.323 -5.515 -28.341 1.00 0.00 C ATOM 558 CD GLU A 40 14.690 -5.121 -28.928 1.00 0.00 C ATOM 559 OE1 GLU A 40 15.245 -4.078 -28.520 1.00 0.00 O ATOM 560 OE2 GLU A 40 15.225 -5.859 -29.783 1.00 0.00 O ATOM 0 H GLU A 40 11.882 -4.579 -26.258 1.00 0.00 H new ATOM 0 HA GLU A 40 11.476 -7.255 -27.090 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.029 -5.766 -26.315 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.962 -7.257 -27.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.774 -6.099 -29.079 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.742 -4.612 -28.153 1.00 0.00 H new ATOM 567 N MET A 41 12.795 -6.884 -24.040 1.00 0.00 N ATOM 568 CA MET A 41 13.085 -7.571 -22.751 1.00 0.00 C ATOM 569 C MET A 41 11.786 -7.880 -21.971 1.00 0.00 C ATOM 570 O MET A 41 11.719 -8.866 -21.227 1.00 0.00 O ATOM 571 CB MET A 41 14.041 -6.721 -21.873 1.00 0.00 C ATOM 572 CG MET A 41 15.393 -6.404 -22.521 1.00 0.00 C ATOM 573 SD MET A 41 16.338 -7.885 -22.946 1.00 0.00 S ATOM 574 CE MET A 41 17.844 -7.171 -23.615 1.00 0.00 C ATOM 0 H MET A 41 13.049 -5.896 -24.044 1.00 0.00 H new ATOM 0 HA MET A 41 13.574 -8.516 -22.990 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.545 -5.783 -21.622 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.217 -7.249 -20.936 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.228 -5.814 -23.423 1.00 0.00 H new ATOM 0 HG3 MET A 41 15.980 -5.788 -21.840 1.00 0.00 H new ATOM 0 HE1 MET A 41 18.521 -7.969 -23.919 1.00 0.00 H new ATOM 0 HE2 MET A 41 17.601 -6.553 -24.479 1.00 0.00 H new ATOM 0 HE3 MET A 41 18.325 -6.557 -22.854 1.00 0.00 H new ATOM 584 N ALA A 42 10.771 -7.016 -22.154 1.00 0.00 N ATOM 585 CA ALA A 42 9.433 -7.187 -21.563 1.00 0.00 C ATOM 586 C ALA A 42 8.724 -8.424 -22.148 1.00 0.00 C ATOM 587 O ALA A 42 8.143 -9.227 -21.410 1.00 0.00 O ATOM 588 CB ALA A 42 8.589 -5.923 -21.791 1.00 0.00 C ATOM 0 H ALA A 42 10.858 -6.173 -22.721 1.00 0.00 H new ATOM 0 HA ALA A 42 9.549 -7.344 -20.491 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.602 -6.060 -21.350 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.079 -5.069 -21.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.486 -5.742 -22.861 1.00 0.00 H new ATOM 594 N GLU A 43 8.802 -8.571 -23.484 1.00 0.00 N ATOM 595 CA GLU A 43 8.221 -9.725 -24.205 1.00 0.00 C ATOM 596 C GLU A 43 9.087 -10.991 -23.992 1.00 0.00 C ATOM 597 O GLU A 43 8.591 -12.122 -24.052 1.00 0.00 O ATOM 598 CB GLU A 43 8.079 -9.388 -25.715 1.00 0.00 C ATOM 599 CG GLU A 43 7.305 -10.432 -26.543 1.00 0.00 C ATOM 600 CD GLU A 43 7.207 -10.074 -28.039 1.00 0.00 C ATOM 601 OE1 GLU A 43 8.116 -10.438 -28.809 1.00 0.00 O ATOM 602 OE2 GLU A 43 6.229 -9.410 -28.445 1.00 0.00 O ATOM 0 H GLU A 43 9.267 -7.898 -24.094 1.00 0.00 H new ATOM 0 HA GLU A 43 7.228 -9.932 -23.805 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.578 -8.425 -25.812 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.075 -9.273 -26.142 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.793 -11.401 -26.440 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.300 -10.536 -26.135 1.00 0.00 H new ATOM 609 N LYS A 44 10.380 -10.774 -23.715 1.00 0.00 N ATOM 610 CA LYS A 44 11.339 -11.851 -23.381 1.00 0.00 C ATOM 611 C LYS A 44 11.081 -12.319 -21.923 1.00 0.00 C ATOM 612 O LYS A 44 11.473 -13.428 -21.539 1.00 0.00 O ATOM 613 CB LYS A 44 12.793 -11.310 -23.603 1.00 0.00 C ATOM 614 CG LYS A 44 13.904 -12.356 -23.922 1.00 0.00 C ATOM 615 CD LYS A 44 14.477 -13.048 -22.674 1.00 0.00 C ATOM 616 CE LYS A 44 15.598 -14.053 -22.987 1.00 0.00 C ATOM 617 NZ LYS A 44 16.189 -14.600 -21.736 1.00 0.00 N ATOM 0 H LYS A 44 10.798 -9.844 -23.715 1.00 0.00 H new ATOM 0 HA LYS A 44 11.211 -12.721 -24.025 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.764 -10.589 -24.420 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.090 -10.765 -22.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.496 -13.113 -24.592 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.715 -11.861 -24.457 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.861 -12.289 -21.992 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.671 -13.566 -22.154 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.202 -14.868 -23.593 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.374 -13.565 -23.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.144 -14.963 -21.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.245 -13.847 -21.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.592 -15.373 -21.379 1.00 0.00 H new ATOM 631 N GLU A 45 10.399 -11.436 -21.131 1.00 0.00 N ATOM 632 CA GLU A 45 9.897 -11.718 -19.755 1.00 0.00 C ATOM 633 C GLU A 45 11.044 -11.909 -18.741 1.00 0.00 C ATOM 634 O GLU A 45 10.828 -12.366 -17.609 1.00 0.00 O ATOM 635 CB GLU A 45 8.961 -12.956 -19.740 1.00 0.00 C ATOM 636 CG GLU A 45 7.813 -12.905 -20.763 1.00 0.00 C ATOM 637 CD GLU A 45 6.925 -14.162 -20.768 1.00 0.00 C ATOM 638 OE1 GLU A 45 7.466 -15.276 -20.938 1.00 0.00 O ATOM 639 OE2 GLU A 45 5.685 -14.043 -20.631 1.00 0.00 O ATOM 0 H GLU A 45 10.180 -10.489 -21.442 1.00 0.00 H new ATOM 0 HA GLU A 45 9.326 -10.841 -19.449 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.558 -13.848 -19.928 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.536 -13.061 -18.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.192 -12.034 -20.554 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.233 -12.765 -21.759 1.00 0.00 H new ATOM 646 N ASP A 46 12.240 -11.502 -19.154 1.00 0.00 N ATOM 647 CA ASP A 46 13.486 -11.750 -18.432 1.00 0.00 C ATOM 648 C ASP A 46 14.296 -10.445 -18.412 1.00 0.00 C ATOM 649 O ASP A 46 15.051 -10.133 -19.342 1.00 0.00 O ATOM 650 CB ASP A 46 14.231 -12.920 -19.120 1.00 0.00 C ATOM 651 CG ASP A 46 15.610 -13.243 -18.530 1.00 0.00 C ATOM 652 OD1 ASP A 46 15.682 -13.662 -17.360 1.00 0.00 O ATOM 653 OD2 ASP A 46 16.621 -13.094 -19.260 1.00 0.00 O ATOM 0 H ASP A 46 12.374 -10.979 -20.019 1.00 0.00 H new ATOM 0 HA ASP A 46 13.312 -12.045 -17.397 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.608 -13.813 -19.061 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.350 -12.684 -20.177 1.00 0.00 H new ATOM 658 N TYR A 47 14.032 -9.650 -17.368 1.00 0.00 N ATOM 659 CA TYR A 47 14.648 -8.337 -17.139 1.00 0.00 C ATOM 660 C TYR A 47 15.408 -8.370 -15.808 1.00 0.00 C ATOM 661 O TYR A 47 14.796 -8.395 -14.747 1.00 0.00 O ATOM 662 CB TYR A 47 13.549 -7.235 -17.137 1.00 0.00 C ATOM 663 CG TYR A 47 13.991 -5.858 -16.603 1.00 0.00 C ATOM 664 CD1 TYR A 47 14.875 -5.047 -17.315 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.521 -5.378 -15.371 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.269 -3.816 -16.826 1.00 0.00 C ATOM 667 CE2 TYR A 47 13.915 -4.152 -14.885 1.00 0.00 C ATOM 668 CZ TYR A 47 14.787 -3.375 -15.611 1.00 0.00 C ATOM 669 OH TYR A 47 15.173 -2.152 -15.115 1.00 0.00 O ATOM 0 H TYR A 47 13.366 -9.909 -16.640 1.00 0.00 H new ATOM 0 HA TYR A 47 15.353 -8.105 -17.937 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.183 -7.110 -18.156 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.709 -7.585 -16.537 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.258 -5.387 -18.266 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.837 -5.982 -14.793 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.952 -3.201 -17.393 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.540 -3.801 -13.935 1.00 0.00 H new ATOM 0 HH TYR A 47 14.739 -1.998 -14.250 1.00 0.00 H new ATOM 679 N ILE A 48 16.741 -8.400 -15.873 1.00 0.00 N ATOM 680 CA ILE A 48 17.604 -8.316 -14.691 1.00 0.00 C ATOM 681 C ILE A 48 18.238 -6.917 -14.703 1.00 0.00 C ATOM 682 O ILE A 48 19.037 -6.622 -15.596 1.00 0.00 O ATOM 683 CB ILE A 48 18.735 -9.434 -14.668 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.169 -10.883 -14.912 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.527 -9.393 -13.336 1.00 0.00 C ATOM 686 CD1 ILE A 48 17.825 -11.211 -16.358 1.00 0.00 C ATOM 0 H ILE A 48 17.255 -8.484 -16.750 1.00 0.00 H new ATOM 0 HA ILE A 48 17.005 -8.485 -13.796 1.00 0.00 H new ATOM 0 HB ILE A 48 19.406 -9.205 -15.496 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.903 -11.607 -14.557 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.274 -11.013 -14.304 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.294 -10.167 -13.345 1.00 0.00 H new ATOM 0 HG22 ILE A 48 19.998 -8.417 -13.223 1.00 0.00 H new ATOM 0 HG23 ILE A 48 18.846 -9.567 -12.503 1.00 0.00 H new ATOM 0 HD11 ILE A 48 17.444 -12.230 -16.419 1.00 0.00 H new ATOM 0 HD12 ILE A 48 17.065 -10.517 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 48 18.719 -11.120 -16.974 1.00 0.00 H new ATOM 698 N CYS A 49 17.828 -6.044 -13.749 1.00 0.00 N ATOM 699 CA CYS A 49 18.303 -4.634 -13.683 1.00 0.00 C ATOM 700 C CYS A 49 19.840 -4.576 -13.563 1.00 0.00 C ATOM 701 O CYS A 49 20.450 -5.545 -13.095 1.00 0.00 O ATOM 702 CB CYS A 49 17.670 -3.871 -12.485 1.00 0.00 C ATOM 703 SG CYS A 49 15.969 -4.343 -12.086 1.00 0.00 S ATOM 0 H CYS A 49 17.168 -6.290 -13.012 1.00 0.00 H new ATOM 0 HA CYS A 49 17.992 -4.152 -14.610 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.291 -4.031 -11.604 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.693 -2.803 -12.702 1.00 0.00 H new ATOM 708 N VAL A 50 20.444 -3.433 -13.942 1.00 0.00 N ATOM 709 CA VAL A 50 21.905 -3.233 -13.867 1.00 0.00 C ATOM 710 C VAL A 50 22.404 -3.433 -12.415 1.00 0.00 C ATOM 711 O VAL A 50 23.446 -4.035 -12.190 1.00 0.00 O ATOM 712 CB VAL A 50 22.328 -1.815 -14.405 1.00 0.00 C ATOM 713 CG1 VAL A 50 23.867 -1.646 -14.437 1.00 0.00 C ATOM 714 CG2 VAL A 50 21.721 -1.550 -15.804 1.00 0.00 C ATOM 0 H VAL A 50 19.937 -2.627 -14.307 1.00 0.00 H new ATOM 0 HA VAL A 50 22.373 -3.980 -14.508 1.00 0.00 H new ATOM 0 HB VAL A 50 21.931 -1.075 -13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 50 24.116 -0.654 -14.814 1.00 0.00 H new ATOM 0 HG12 VAL A 50 24.267 -1.762 -13.430 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.303 -2.403 -15.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.028 -0.564 -16.153 1.00 0.00 H new ATOM 0 HG22 VAL A 50 22.073 -2.309 -16.503 1.00 0.00 H new ATOM 0 HG23 VAL A 50 20.633 -1.590 -15.742 1.00 0.00 H new ATOM 724 N ARG A 51 21.599 -2.969 -11.441 1.00 0.00 N ATOM 725 CA ARG A 51 21.824 -3.215 -9.995 1.00 0.00 C ATOM 726 C ARG A 51 21.896 -4.727 -9.689 1.00 0.00 C ATOM 727 O ARG A 51 22.834 -5.206 -9.043 1.00 0.00 O ATOM 728 CB ARG A 51 20.678 -2.576 -9.157 1.00 0.00 C ATOM 729 CG ARG A 51 20.617 -1.041 -9.203 1.00 0.00 C ATOM 730 CD ARG A 51 21.868 -0.393 -8.591 1.00 0.00 C ATOM 731 NE ARG A 51 21.847 1.074 -8.713 1.00 0.00 N ATOM 732 CZ ARG A 51 22.677 1.918 -8.085 1.00 0.00 C ATOM 733 NH1 ARG A 51 23.624 1.459 -7.271 1.00 0.00 N ATOM 734 NH2 ARG A 51 22.550 3.224 -8.272 1.00 0.00 N ATOM 0 H ARG A 51 20.768 -2.409 -11.631 1.00 0.00 H new ATOM 0 HA ARG A 51 22.777 -2.759 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.726 -2.973 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 51 20.789 -2.889 -8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 51 20.509 -0.714 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.732 -0.698 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 51 21.940 -0.668 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 51 22.757 -0.785 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 51 21.142 1.482 -9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 51 23.724 0.455 -7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 51 24.250 2.111 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.823 3.582 -8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 51 23.179 3.871 -7.796 1.00 0.00 H new ATOM 748 N CYS A 52 20.903 -5.463 -10.208 1.00 0.00 N ATOM 749 CA CYS A 52 20.719 -6.905 -9.949 1.00 0.00 C ATOM 750 C CYS A 52 21.792 -7.771 -10.648 1.00 0.00 C ATOM 751 O CYS A 52 22.110 -8.875 -10.177 1.00 0.00 O ATOM 752 CB CYS A 52 19.294 -7.313 -10.401 1.00 0.00 C ATOM 753 SG CYS A 52 17.979 -6.400 -9.533 1.00 0.00 S ATOM 0 H CYS A 52 20.194 -5.072 -10.828 1.00 0.00 H new ATOM 0 HA CYS A 52 20.836 -7.083 -8.880 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.198 -7.145 -11.474 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.158 -8.381 -10.233 1.00 0.00 H new ATOM 758 N THR A 53 22.338 -7.263 -11.763 1.00 0.00 N ATOM 759 CA THR A 53 23.352 -7.972 -12.563 1.00 0.00 C ATOM 760 C THR A 53 24.765 -7.723 -11.996 1.00 0.00 C ATOM 761 O THR A 53 25.495 -8.665 -11.674 1.00 0.00 O ATOM 762 CB THR A 53 23.286 -7.531 -14.063 1.00 0.00 C ATOM 763 OG1 THR A 53 21.922 -7.576 -14.510 1.00 0.00 O ATOM 764 CG2 THR A 53 24.140 -8.435 -14.975 1.00 0.00 C ATOM 0 H THR A 53 22.089 -6.347 -12.137 1.00 0.00 H new ATOM 0 HA THR A 53 23.138 -9.039 -12.508 1.00 0.00 H new ATOM 0 HB THR A 53 23.684 -6.518 -14.126 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.411 -6.862 -14.075 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.062 -8.089 -16.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.181 -8.394 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 53 23.781 -9.462 -14.909 1.00 0.00 H new ATOM 772 N VAL A 54 25.120 -6.437 -11.828 1.00 0.00 N ATOM 773 CA VAL A 54 26.458 -6.025 -11.357 1.00 0.00 C ATOM 774 C VAL A 54 26.692 -6.441 -9.880 1.00 0.00 C ATOM 775 O VAL A 54 27.847 -6.574 -9.452 1.00 0.00 O ATOM 776 CB VAL A 54 26.691 -4.472 -11.554 1.00 0.00 C ATOM 777 CG1 VAL A 54 28.107 -4.025 -11.100 1.00 0.00 C ATOM 778 CG2 VAL A 54 26.443 -4.058 -13.027 1.00 0.00 C ATOM 0 H VAL A 54 24.492 -5.655 -12.014 1.00 0.00 H new ATOM 0 HA VAL A 54 27.191 -6.549 -11.970 1.00 0.00 H new ATOM 0 HB VAL A 54 25.968 -3.963 -10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 54 28.217 -2.952 -11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.239 -4.254 -10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 54 28.860 -4.555 -11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.609 -2.986 -13.137 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.129 -4.600 -13.678 1.00 0.00 H new ATOM 0 HG23 VAL A 54 25.416 -4.296 -13.304 1.00 0.00 H new ATOM 788 N LYS A 55 25.597 -6.683 -9.107 1.00 0.00 N ATOM 789 CA LYS A 55 25.716 -7.154 -7.710 1.00 0.00 C ATOM 790 C LYS A 55 26.402 -8.536 -7.656 1.00 0.00 C ATOM 791 O LYS A 55 27.269 -8.775 -6.808 1.00 0.00 O ATOM 792 CB LYS A 55 24.333 -7.218 -7.005 1.00 0.00 C ATOM 793 CG LYS A 55 24.423 -7.502 -5.483 1.00 0.00 C ATOM 794 CD LYS A 55 23.045 -7.625 -4.791 1.00 0.00 C ATOM 795 CE LYS A 55 22.229 -8.837 -5.285 1.00 0.00 C ATOM 796 NZ LYS A 55 20.977 -9.017 -4.504 1.00 0.00 N ATOM 0 H LYS A 55 24.637 -6.560 -9.428 1.00 0.00 H new ATOM 0 HA LYS A 55 26.332 -6.430 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.812 -6.273 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.730 -7.995 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 55 24.982 -8.425 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.989 -6.702 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 55 23.191 -7.707 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.474 -6.713 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.984 -8.705 -6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.837 -9.739 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 21.068 -9.851 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 20.808 -8.173 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 20.178 -9.153 -5.156 1.00 0.00 H new ATOM 810 N ASP A 56 26.027 -9.415 -8.597 1.00 0.00 N ATOM 811 CA ASP A 56 26.579 -10.776 -8.684 1.00 0.00 C ATOM 812 C ASP A 56 26.280 -11.363 -10.068 1.00 0.00 C ATOM 813 O ASP A 56 27.199 -11.789 -10.779 1.00 0.00 O ATOM 814 CB ASP A 56 25.995 -11.696 -7.564 1.00 0.00 C ATOM 815 CG ASP A 56 26.704 -13.066 -7.473 1.00 0.00 C ATOM 816 OD1 ASP A 56 26.352 -13.987 -8.235 1.00 0.00 O ATOM 817 OD2 ASP A 56 27.624 -13.218 -6.648 1.00 0.00 O ATOM 0 H ASP A 56 25.335 -9.204 -9.317 1.00 0.00 H new ATOM 0 HA ASP A 56 27.658 -10.723 -8.539 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.078 -11.187 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.933 -11.855 -7.750 1.00 0.00 H new ATOM 822 N ALA A 57 24.974 -11.353 -10.425 1.00 0.00 N ATOM 823 CA ALA A 57 24.417 -12.003 -11.635 1.00 0.00 C ATOM 824 C ALA A 57 24.522 -13.540 -11.527 1.00 0.00 C ATOM 825 O ALA A 57 25.632 -14.082 -11.542 1.00 0.00 O ATOM 826 CB ALA A 57 25.063 -11.509 -12.947 1.00 0.00 C ATOM 0 H ALA A 57 24.262 -10.882 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 57 23.367 -11.715 -11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 57 24.609 -12.025 -13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 57 24.904 -10.436 -13.049 1.00 0.00 H new ATOM 0 HB3 ALA A 57 26.133 -11.717 -12.927 1.00 0.00 H new ATOM 832 N PRO A 58 23.367 -14.284 -11.414 1.00 0.00 N ATOM 833 CA PRO A 58 23.349 -15.768 -11.485 1.00 0.00 C ATOM 834 C PRO A 58 23.419 -16.276 -12.946 1.00 0.00 C ATOM 835 O PRO A 58 22.678 -17.175 -13.347 1.00 0.00 O ATOM 836 CB PRO A 58 22.011 -16.115 -10.791 1.00 0.00 C ATOM 837 CG PRO A 58 21.111 -14.956 -11.096 1.00 0.00 C ATOM 838 CD PRO A 58 22.001 -13.731 -11.173 1.00 0.00 C ATOM 0 HA PRO A 58 24.208 -16.242 -11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 58 21.597 -17.048 -11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 58 22.144 -16.241 -9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.583 -15.112 -12.037 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.354 -14.838 -10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 58 21.693 -13.065 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 58 21.963 -13.153 -10.250 1.00 0.00 H new ATOM 846 N SER A 59 24.365 -15.716 -13.708 1.00 0.00 N ATOM 847 CA SER A 59 24.537 -15.991 -15.142 1.00 0.00 C ATOM 848 C SER A 59 25.411 -17.227 -15.393 1.00 0.00 C ATOM 849 O SER A 59 25.459 -17.727 -16.521 1.00 0.00 O ATOM 850 CB SER A 59 25.140 -14.742 -15.821 1.00 0.00 C ATOM 851 OG SER A 59 24.333 -13.599 -15.574 1.00 0.00 O ATOM 0 H SER A 59 25.044 -15.049 -13.342 1.00 0.00 H new ATOM 0 HA SER A 59 23.560 -16.212 -15.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.149 -14.569 -15.446 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.223 -14.910 -16.895 1.00 0.00 H new ATOM 0 HG SER A 59 24.731 -12.817 -16.010 1.00 0.00 H new ATOM 857 N ARG A 60 26.097 -17.718 -14.339 1.00 0.00 N ATOM 858 CA ARG A 60 26.959 -18.908 -14.421 1.00 0.00 C ATOM 859 C ARG A 60 26.085 -20.186 -14.473 1.00 0.00 C ATOM 860 O ARG A 60 25.805 -20.809 -13.445 1.00 0.00 O ATOM 861 CB ARG A 60 27.944 -18.950 -13.214 1.00 0.00 C ATOM 862 CG ARG A 60 28.982 -20.097 -13.248 1.00 0.00 C ATOM 863 CD ARG A 60 29.863 -20.149 -11.983 1.00 0.00 C ATOM 864 NE ARG A 60 30.588 -18.885 -11.759 1.00 0.00 N ATOM 865 CZ ARG A 60 31.595 -18.698 -10.894 1.00 0.00 C ATOM 866 NH1 ARG A 60 32.068 -19.695 -10.155 1.00 0.00 N ATOM 867 NH2 ARG A 60 32.125 -17.495 -10.779 1.00 0.00 N ATOM 0 H ARG A 60 26.066 -17.298 -13.410 1.00 0.00 H new ATOM 0 HA ARG A 60 27.552 -18.858 -15.334 1.00 0.00 H new ATOM 0 HB2 ARG A 60 28.477 -18.001 -13.168 1.00 0.00 H new ATOM 0 HB3 ARG A 60 27.364 -19.034 -12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 60 28.461 -21.048 -13.361 1.00 0.00 H new ATOM 0 HG3 ARG A 60 29.620 -19.977 -14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 60 29.239 -20.367 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 60 30.579 -20.966 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 60 30.297 -18.079 -12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.664 -20.628 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 60 32.835 -19.528 -9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 60 31.768 -16.724 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.892 -17.336 -10.125 1.00 0.00 H new ATOM 881 N LYS A 61 25.605 -20.521 -15.687 1.00 0.00 N ATOM 882 CA LYS A 61 24.774 -21.711 -15.934 1.00 0.00 C ATOM 883 C LYS A 61 25.466 -22.561 -17.033 1.00 0.00 C ATOM 884 O LYS A 61 26.189 -23.520 -16.698 1.00 0.00 O ATOM 885 CB LYS A 61 23.324 -21.303 -16.353 1.00 0.00 C ATOM 886 CG LYS A 61 22.629 -20.272 -15.431 1.00 0.00 C ATOM 887 CD LYS A 61 21.142 -20.035 -15.800 1.00 0.00 C ATOM 888 CE LYS A 61 20.504 -18.873 -15.008 1.00 0.00 C ATOM 889 NZ LYS A 61 20.638 -19.043 -13.534 1.00 0.00 N ATOM 890 OXT LYS A 61 25.329 -22.228 -18.228 1.00 0.00 O ATOM 0 H LYS A 61 25.785 -19.970 -16.526 1.00 0.00 H new ATOM 0 HA LYS A 61 24.680 -22.300 -15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 61 23.358 -20.896 -17.364 1.00 0.00 H new ATOM 0 HB3 LYS A 61 22.709 -22.202 -16.392 1.00 0.00 H new ATOM 0 HG2 LYS A 61 22.691 -20.616 -14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 61 23.166 -19.325 -15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.067 -19.825 -16.867 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.577 -20.948 -15.614 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.972 -17.935 -15.306 1.00 0.00 H new ATOM 0 HE3 LYS A 61 19.448 -18.798 -15.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.735 -18.810 -13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.891 -20.029 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.382 -18.409 -13.178 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.210 -0.275 -10.358 1.00 0.00 ZN HETATM 906 ZN ZN A 102 15.849 -6.083 -10.530 1.00 0.00 ZN