USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 158:sc= -0.185 (180deg=0) USER MOD Set 1.2: A 34 GLN : amide:sc= -1.31 K(o=-1.5,f=-4.5!) USER MOD Single : A 1 GLU N :NH3+ -165:sc= -0.173 (180deg=-0.493) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.605 K(o=-0.6,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -156:sc= -1.8 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0868 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.583 (180deg=-0.783) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.294 1.270 -1.381 1.00 0.00 N ATOM 2 CA GLU A 1 2.331 0.250 -1.284 1.00 0.00 C ATOM 3 C GLU A 1 1.942 -0.999 -2.070 1.00 0.00 C ATOM 4 O GLU A 1 1.132 -1.807 -1.613 1.00 0.00 O ATOM 5 CB GLU A 1 2.584 -0.115 0.181 1.00 0.00 C ATOM 6 CG GLU A 1 2.900 1.084 1.060 1.00 0.00 C ATOM 7 CD GLU A 1 1.658 1.701 1.673 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.878 0.960 2.307 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.467 2.925 1.519 1.00 0.00 O ATOM 0 H1 GLU A 1 1.676 2.184 -1.065 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.977 1.350 -2.368 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.488 1.004 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 1 3.246 0.658 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.705 -0.624 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.412 -0.822 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.579 0.778 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.421 1.837 0.468 1.00 0.00 H new ATOM 16 N CYS A 2 2.523 -1.150 -3.255 1.00 0.00 N ATOM 17 CA CYS A 2 2.238 -2.299 -4.107 1.00 0.00 C ATOM 18 C CYS A 2 2.982 -3.537 -3.617 1.00 0.00 C ATOM 19 O CYS A 2 4.185 -3.490 -3.356 1.00 0.00 O ATOM 20 CB CYS A 2 2.627 -1.995 -5.555 1.00 0.00 C ATOM 21 SG CYS A 2 2.292 -0.281 -6.071 1.00 0.00 S ATOM 0 H CYS A 2 3.195 -0.491 -3.648 1.00 0.00 H new ATOM 0 HA CYS A 2 1.167 -2.499 -4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.689 -2.201 -5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.087 -2.674 -6.215 1.00 0.00 H new ATOM 26 N LEU A 3 2.260 -4.645 -3.495 1.00 0.00 N ATOM 27 CA LEU A 3 2.851 -5.898 -3.037 1.00 0.00 C ATOM 28 C LEU A 3 2.924 -6.913 -4.173 1.00 0.00 C ATOM 29 O LEU A 3 2.002 -7.703 -4.372 1.00 0.00 O ATOM 30 CB LEU A 3 2.040 -6.473 -1.875 1.00 0.00 C ATOM 31 CG LEU A 3 1.102 -5.497 -1.163 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.102 -6.232 -0.596 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.843 -4.753 -0.062 1.00 0.00 C ATOM 0 H LEU A 3 1.264 -4.702 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 3 3.865 -5.689 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.447 -7.307 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.734 -6.880 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 3 0.746 -4.768 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.758 -5.522 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.646 -6.718 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.234 -6.984 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.160 -4.063 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.228 -5.468 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.673 -4.194 -0.495 1.00 0.00 H new ATOM 45 N GLU A 4 4.027 -6.886 -4.915 1.00 0.00 N ATOM 46 CA GLU A 4 4.220 -7.806 -6.030 1.00 0.00 C ATOM 47 C GLU A 4 4.975 -9.053 -5.582 1.00 0.00 C ATOM 48 O GLU A 4 4.941 -10.086 -6.252 1.00 0.00 O ATOM 49 CB GLU A 4 4.981 -7.115 -7.164 1.00 0.00 C ATOM 50 CG GLU A 4 6.470 -6.972 -6.898 1.00 0.00 C ATOM 51 CD GLU A 4 7.117 -5.910 -7.765 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.383 -5.063 -8.316 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.360 -5.925 -7.893 1.00 0.00 O ATOM 0 H GLU A 4 4.800 -6.238 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 4 3.238 -8.108 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.837 -7.681 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.553 -6.126 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.626 -6.723 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.961 -7.929 -7.075 1.00 0.00 H new ATOM 60 N ILE A 5 5.656 -8.950 -4.446 1.00 0.00 N ATOM 61 CA ILE A 5 6.419 -10.069 -3.908 1.00 0.00 C ATOM 62 C ILE A 5 5.500 -11.109 -3.279 1.00 0.00 C ATOM 63 O ILE A 5 5.897 -12.254 -3.059 1.00 0.00 O ATOM 64 CB ILE A 5 7.442 -9.600 -2.856 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.222 -10.794 -2.304 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.740 -8.853 -1.732 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.858 -11.650 -3.377 1.00 0.00 C ATOM 0 H ILE A 5 5.695 -8.102 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 5 6.952 -10.518 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 5 8.147 -8.919 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.000 -10.430 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.550 -11.412 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.476 -8.528 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.225 -7.983 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.016 -9.512 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.394 -12.477 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.083 -12.044 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.555 -11.047 -3.958 1.00 0.00 H new ATOM 79 N PHE A 6 4.267 -10.705 -2.992 1.00 0.00 N ATOM 80 CA PHE A 6 3.289 -11.602 -2.388 1.00 0.00 C ATOM 81 C PHE A 6 3.046 -11.238 -0.926 1.00 0.00 C ATOM 82 O PHE A 6 2.703 -12.093 -0.109 1.00 0.00 O ATOM 83 CB PHE A 6 3.764 -13.053 -2.491 1.00 0.00 C ATOM 84 CG PHE A 6 4.558 -13.510 -1.301 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.395 -12.632 -0.631 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.468 -14.818 -0.853 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.127 -13.050 0.463 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.198 -15.242 0.242 1.00 0.00 C ATOM 89 CZ PHE A 6 6.028 -14.356 0.901 1.00 0.00 C ATOM 0 H PHE A 6 3.921 -9.762 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 6 2.351 -11.494 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.897 -13.703 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.373 -13.165 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.476 -11.609 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.820 -15.514 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.776 -12.356 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.119 -16.264 0.582 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.599 -14.684 1.757 1.00 0.00 H new ATOM 99 N LYS A 7 3.227 -9.962 -0.603 1.00 0.00 N ATOM 100 CA LYS A 7 3.028 -9.482 0.760 1.00 0.00 C ATOM 101 C LYS A 7 1.549 -9.495 1.131 1.00 0.00 C ATOM 102 O LYS A 7 0.684 -9.293 0.279 1.00 0.00 O ATOM 103 CB LYS A 7 3.590 -8.066 0.910 1.00 0.00 C ATOM 104 CG LYS A 7 4.274 -7.822 2.244 1.00 0.00 C ATOM 105 CD LYS A 7 5.705 -8.333 2.238 1.00 0.00 C ATOM 106 CE LYS A 7 6.407 -8.040 3.556 1.00 0.00 C ATOM 107 NZ LYS A 7 7.776 -8.624 3.596 1.00 0.00 N ATOM 0 H LYS A 7 3.511 -9.241 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 7 3.560 -10.152 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.302 -7.880 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.779 -7.348 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.269 -6.755 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.713 -8.316 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.708 -9.407 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.255 -7.868 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.468 -6.962 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.816 -8.442 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.221 -8.403 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.717 -9.656 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.348 -8.222 2.826 1.00 0.00 H new ATOM 121 N ALA A 8 1.266 -9.734 2.407 1.00 0.00 N ATOM 122 CA ALA A 8 -0.109 -9.770 2.891 1.00 0.00 C ATOM 123 C ALA A 8 -0.874 -8.522 2.465 1.00 0.00 C ATOM 124 O ALA A 8 -0.617 -7.424 2.961 1.00 0.00 O ATOM 125 CB ALA A 8 -0.132 -9.914 4.405 1.00 0.00 C ATOM 0 H ALA A 8 1.970 -9.906 3.124 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.601 -10.635 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.165 -9.939 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.370 -10.839 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.383 -9.067 4.859 1.00 0.00 H new ATOM 131 N CYS A 9 -1.814 -8.695 1.542 1.00 0.00 N ATOM 132 CA CYS A 9 -2.616 -7.583 1.047 1.00 0.00 C ATOM 133 C CYS A 9 -3.778 -7.289 1.991 1.00 0.00 C ATOM 134 O CYS A 9 -4.294 -8.187 2.656 1.00 0.00 O ATOM 135 CB CYS A 9 -3.148 -7.893 -0.353 1.00 0.00 C ATOM 136 SG CYS A 9 -4.957 -8.094 -0.434 1.00 0.00 S ATOM 0 H CYS A 9 -2.039 -9.596 1.121 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.978 -6.701 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.852 -7.090 -1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.675 -8.806 -0.716 1.00 0.00 H new ATOM 141 N ASN A 10 -4.185 -6.025 2.044 1.00 0.00 N ATOM 142 CA ASN A 10 -5.287 -5.612 2.906 1.00 0.00 C ATOM 143 C ASN A 10 -6.614 -5.660 2.155 1.00 0.00 C ATOM 144 O ASN A 10 -6.674 -5.473 0.939 1.00 0.00 O ATOM 145 CB ASN A 10 -5.041 -4.199 3.441 1.00 0.00 C ATOM 146 CG ASN A 10 -4.365 -4.204 4.798 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.656 -5.048 5.646 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.457 -3.258 5.010 1.00 0.00 N ATOM 0 H ASN A 10 -3.769 -5.269 1.500 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.340 -6.307 3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.423 -3.648 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.991 -3.670 3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.969 -3.211 5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.248 -2.579 4.278 1.00 0.00 H new ATOM 155 N PRO A 11 -7.703 -5.915 2.894 1.00 0.00 N ATOM 156 CA PRO A 11 -9.050 -5.993 2.319 1.00 0.00 C ATOM 157 C PRO A 11 -9.562 -4.633 1.857 1.00 0.00 C ATOM 158 O PRO A 11 -10.121 -4.507 0.768 1.00 0.00 O ATOM 159 CB PRO A 11 -9.900 -6.520 3.477 1.00 0.00 C ATOM 160 CG PRO A 11 -9.165 -6.107 4.705 1.00 0.00 C ATOM 161 CD PRO A 11 -7.705 -6.148 4.348 1.00 0.00 C ATOM 0 HA PRO A 11 -9.078 -6.624 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.904 -6.097 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.010 -7.603 3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.462 -5.106 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.383 -6.779 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.140 -5.382 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.256 -7.108 4.602 1.00 0.00 H new ATOM 169 N SER A 12 -9.367 -3.617 2.692 1.00 0.00 N ATOM 170 CA SER A 12 -9.812 -2.267 2.371 1.00 0.00 C ATOM 171 C SER A 12 -8.631 -1.383 1.981 1.00 0.00 C ATOM 172 O SER A 12 -8.693 -0.643 1.001 1.00 0.00 O ATOM 173 CB SER A 12 -10.550 -1.653 3.562 1.00 0.00 C ATOM 174 OG SER A 12 -11.469 -2.576 4.123 1.00 0.00 O ATOM 0 H SER A 12 -8.903 -3.704 3.596 1.00 0.00 H new ATOM 0 HA SER A 12 -10.493 -2.329 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.830 -1.345 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.080 -0.756 3.242 1.00 0.00 H new ATOM 0 HG SER A 12 -11.927 -2.161 4.883 1.00 0.00 H new ATOM 180 N ASN A 13 -7.555 -1.469 2.756 1.00 0.00 N ATOM 181 CA ASN A 13 -6.358 -0.677 2.493 1.00 0.00 C ATOM 182 C ASN A 13 -5.713 -1.089 1.173 1.00 0.00 C ATOM 183 O ASN A 13 -4.883 -1.997 1.133 1.00 0.00 O ATOM 184 CB ASN A 13 -5.354 -0.837 3.636 1.00 0.00 C ATOM 185 CG ASN A 13 -5.409 0.316 4.620 1.00 0.00 C ATOM 186 OD1 ASN A 13 -6.170 0.285 5.587 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.602 1.341 4.376 1.00 0.00 N ATOM 0 H ASN A 13 -7.487 -2.079 3.571 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.653 0.370 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.553 -1.770 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.348 -0.912 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.596 2.146 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.988 1.324 3.562 1.00 0.00 H new ATOM 194 N ASP A 14 -6.100 -0.414 0.096 1.00 0.00 N ATOM 195 CA ASP A 14 -5.559 -0.708 -1.226 1.00 0.00 C ATOM 196 C ASP A 14 -4.035 -0.630 -1.219 1.00 0.00 C ATOM 197 O ASP A 14 -3.461 0.453 -1.118 1.00 0.00 O ATOM 198 CB ASP A 14 -6.127 0.264 -2.261 1.00 0.00 C ATOM 199 CG ASP A 14 -5.915 -0.216 -3.683 1.00 0.00 C ATOM 200 OD1 ASP A 14 -6.385 -1.325 -4.012 1.00 0.00 O ATOM 201 OD2 ASP A 14 -5.279 0.519 -4.468 1.00 0.00 O ATOM 0 H ASP A 14 -6.786 0.340 0.113 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.852 -1.723 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.194 0.399 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.657 1.239 -2.136 1.00 0.00 H new ATOM 206 N GLN A 15 -3.388 -1.786 -1.325 1.00 0.00 N ATOM 207 CA GLN A 15 -1.931 -1.848 -1.329 1.00 0.00 C ATOM 208 C GLN A 15 -1.401 -2.105 -2.735 1.00 0.00 C ATOM 209 O GLN A 15 -0.729 -1.256 -3.322 1.00 0.00 O ATOM 210 CB GLN A 15 -1.444 -2.944 -0.379 1.00 0.00 C ATOM 211 CG GLN A 15 -2.091 -2.889 0.996 1.00 0.00 C ATOM 212 CD GLN A 15 -1.124 -3.239 2.110 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.383 -2.383 2.596 1.00 0.00 O ATOM 214 NE2 GLN A 15 -1.125 -4.501 2.521 1.00 0.00 N ATOM 0 H GLN A 15 -3.849 -2.692 -1.409 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.550 -0.885 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.645 -3.917 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.363 -2.862 -0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.489 -1.889 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.936 -3.577 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.756 -5.177 2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.495 -4.795 3.268 1.00 0.00 H new ATOM 223 N CYS A 16 -1.707 -3.282 -3.272 1.00 0.00 N ATOM 224 CA CYS A 16 -1.261 -3.652 -4.609 1.00 0.00 C ATOM 225 C CYS A 16 -1.384 -2.473 -5.570 1.00 0.00 C ATOM 226 O CYS A 16 -2.255 -1.616 -5.410 1.00 0.00 O ATOM 227 CB CYS A 16 -2.076 -4.837 -5.132 1.00 0.00 C ATOM 228 SG CYS A 16 -2.527 -6.051 -3.851 1.00 0.00 S ATOM 0 H CYS A 16 -2.263 -3.996 -2.801 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.212 -3.940 -4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.987 -4.461 -5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.505 -5.342 -5.911 1.00 0.00 H new ATOM 233 N CYS A 17 -0.508 -2.435 -6.568 1.00 0.00 N ATOM 234 CA CYS A 17 -0.517 -1.362 -7.555 1.00 0.00 C ATOM 235 C CYS A 17 -1.784 -1.415 -8.404 1.00 0.00 C ATOM 236 O CYS A 17 -2.682 -2.219 -8.151 1.00 0.00 O ATOM 237 CB CYS A 17 0.717 -1.457 -8.454 1.00 0.00 C ATOM 238 SG CYS A 17 2.025 -0.254 -8.051 1.00 0.00 S ATOM 0 H CYS A 17 0.218 -3.136 -6.715 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.497 -0.411 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.129 -2.463 -8.382 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.411 -1.311 -9.490 1.00 0.00 H new ATOM 243 N LYS A 18 -1.849 -0.554 -9.414 1.00 0.00 N ATOM 244 CA LYS A 18 -3.004 -0.502 -10.303 1.00 0.00 C ATOM 245 C LYS A 18 -2.734 -1.275 -11.590 1.00 0.00 C ATOM 246 O LYS A 18 -3.217 -2.393 -11.766 1.00 0.00 O ATOM 247 CB LYS A 18 -3.356 0.950 -10.631 1.00 0.00 C ATOM 248 CG LYS A 18 -4.301 1.589 -9.629 1.00 0.00 C ATOM 249 CD LYS A 18 -3.668 1.690 -8.251 1.00 0.00 C ATOM 250 CE LYS A 18 -4.619 2.321 -7.245 1.00 0.00 C ATOM 251 NZ LYS A 18 -4.707 3.797 -7.416 1.00 0.00 N ATOM 0 H LYS A 18 -1.115 0.118 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.847 -0.966 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.438 1.536 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.809 0.990 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.581 2.584 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.218 1.003 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.381 0.696 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.755 2.283 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.610 1.883 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.282 2.092 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.365 4.189 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.766 4.219 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.052 4.016 -8.372 1.00 0.00 H new ATOM 265 N SER A 19 -1.960 -0.672 -12.486 1.00 0.00 N ATOM 266 CA SER A 19 -1.628 -1.303 -13.758 1.00 0.00 C ATOM 267 C SER A 19 -0.909 -2.630 -13.535 1.00 0.00 C ATOM 268 O SER A 19 -0.946 -3.519 -14.385 1.00 0.00 O ATOM 269 CB SER A 19 -0.755 -0.371 -14.601 1.00 0.00 C ATOM 270 OG SER A 19 -1.393 0.876 -14.809 1.00 0.00 O ATOM 0 H SER A 19 -1.551 0.253 -12.355 1.00 0.00 H new ATOM 0 HA SER A 19 -2.558 -1.499 -14.292 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.202 -0.215 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.541 -0.838 -15.562 1.00 0.00 H new ATOM 0 HG SER A 19 -0.814 1.454 -15.349 1.00 0.00 H new ATOM 276 N SER A 20 -0.255 -2.755 -12.384 1.00 0.00 N ATOM 277 CA SER A 20 0.477 -3.971 -12.050 1.00 0.00 C ATOM 278 C SER A 20 -0.451 -5.182 -12.052 1.00 0.00 C ATOM 279 O SER A 20 -1.646 -5.064 -11.780 1.00 0.00 O ATOM 280 CB SER A 20 1.145 -3.829 -10.681 1.00 0.00 C ATOM 281 OG SER A 20 1.916 -2.643 -10.610 1.00 0.00 O ATOM 0 H SER A 20 -0.217 -2.030 -11.668 1.00 0.00 H new ATOM 0 HA SER A 20 1.245 -4.123 -12.808 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.384 -3.819 -9.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.783 -4.693 -10.493 1.00 0.00 H new ATOM 0 HG SER A 20 2.611 -2.745 -9.926 1.00 0.00 H new ATOM 287 N LYS A 21 0.107 -6.347 -12.362 1.00 0.00 N ATOM 288 CA LYS A 21 -0.668 -7.581 -12.400 1.00 0.00 C ATOM 289 C LYS A 21 -0.799 -8.185 -11.005 1.00 0.00 C ATOM 290 O LYS A 21 -1.688 -8.998 -10.750 1.00 0.00 O ATOM 291 CB LYS A 21 -0.012 -8.591 -13.344 1.00 0.00 C ATOM 292 CG LYS A 21 0.211 -8.055 -14.748 1.00 0.00 C ATOM 293 CD LYS A 21 1.587 -8.428 -15.275 1.00 0.00 C ATOM 294 CE LYS A 21 1.708 -9.927 -15.504 1.00 0.00 C ATOM 295 NZ LYS A 21 3.127 -10.349 -15.667 1.00 0.00 N ATOM 0 H LYS A 21 1.094 -6.462 -12.591 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.665 -7.342 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.946 -8.898 -12.925 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.636 -9.483 -13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.555 -8.450 -15.415 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.103 -6.970 -14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.776 -7.900 -16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.349 -8.104 -14.566 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.265 -10.460 -14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.142 -10.206 -16.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.168 -11.377 -15.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.543 -9.859 -16.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.662 -10.106 -14.809 1.00 0.00 H new ATOM 309 N LEU A 22 0.091 -7.780 -10.105 1.00 0.00 N ATOM 310 CA LEU A 22 0.074 -8.280 -8.734 1.00 0.00 C ATOM 311 C LEU A 22 -1.356 -8.415 -8.222 1.00 0.00 C ATOM 312 O LEU A 22 -1.993 -7.425 -7.860 1.00 0.00 O ATOM 313 CB LEU A 22 0.870 -7.346 -7.821 1.00 0.00 C ATOM 314 CG LEU A 22 1.492 -6.120 -8.491 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.774 -5.036 -7.463 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.766 -6.505 -9.228 1.00 0.00 C ATOM 0 H LEU A 22 0.833 -7.107 -10.300 1.00 0.00 H new ATOM 0 HA LEU A 22 0.537 -9.267 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.212 -7.004 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.667 -7.922 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 22 0.781 -5.726 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.216 -4.171 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.842 -4.741 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.466 -5.418 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.195 -5.621 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.483 -6.924 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.534 -7.247 -9.992 1.00 0.00 H new ATOM 328 N VAL A 23 -1.854 -9.647 -8.190 1.00 0.00 N ATOM 329 CA VAL A 23 -3.208 -9.912 -7.718 1.00 0.00 C ATOM 330 C VAL A 23 -3.197 -10.453 -6.293 1.00 0.00 C ATOM 331 O VAL A 23 -2.277 -11.169 -5.896 1.00 0.00 O ATOM 332 CB VAL A 23 -3.934 -10.917 -8.632 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.214 -12.257 -8.630 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.383 -11.081 -8.198 1.00 0.00 C ATOM 0 H VAL A 23 -1.340 -10.477 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.742 -8.962 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.925 -10.528 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.741 -12.954 -9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.195 -12.123 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.190 -12.655 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.881 -11.794 -8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.416 -11.448 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.891 -10.119 -8.256 1.00 0.00 H new ATOM 344 N CYS A 24 -4.226 -10.107 -5.526 1.00 0.00 N ATOM 345 CA CYS A 24 -4.336 -10.557 -4.144 1.00 0.00 C ATOM 346 C CYS A 24 -5.614 -11.364 -3.936 1.00 0.00 C ATOM 347 O CYS A 24 -5.664 -12.260 -3.093 1.00 0.00 O ATOM 348 CB CYS A 24 -4.315 -9.359 -3.192 1.00 0.00 C ATOM 349 SG CYS A 24 -5.380 -9.555 -1.727 1.00 0.00 S ATOM 0 H CYS A 24 -4.996 -9.516 -5.839 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.482 -11.199 -3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.290 -9.188 -2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.627 -8.469 -3.738 1.00 0.00 H new ATOM 354 N SER A 25 -6.645 -11.041 -4.709 1.00 0.00 N ATOM 355 CA SER A 25 -7.924 -11.733 -4.607 1.00 0.00 C ATOM 356 C SER A 25 -7.830 -13.138 -5.193 1.00 0.00 C ATOM 357 O SER A 25 -8.087 -14.127 -4.506 1.00 0.00 O ATOM 358 CB SER A 25 -9.016 -10.940 -5.329 1.00 0.00 C ATOM 359 OG SER A 25 -10.306 -11.345 -4.904 1.00 0.00 O ATOM 0 H SER A 25 -6.620 -10.304 -5.413 1.00 0.00 H new ATOM 0 HA SER A 25 -8.181 -11.815 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.884 -9.875 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.923 -11.084 -6.405 1.00 0.00 H new ATOM 0 HG SER A 25 -10.986 -10.822 -5.379 1.00 0.00 H new ATOM 365 N ARG A 26 -7.459 -13.218 -6.467 1.00 0.00 N ATOM 366 CA ARG A 26 -7.331 -14.502 -7.146 1.00 0.00 C ATOM 367 C ARG A 26 -6.607 -15.514 -6.264 1.00 0.00 C ATOM 368 O ARG A 26 -7.125 -16.597 -5.987 1.00 0.00 O ATOM 369 CB ARG A 26 -6.580 -14.331 -8.467 1.00 0.00 C ATOM 370 CG ARG A 26 -7.451 -13.815 -9.601 1.00 0.00 C ATOM 371 CD ARG A 26 -6.941 -14.287 -10.954 1.00 0.00 C ATOM 372 NE ARG A 26 -8.002 -14.317 -11.958 1.00 0.00 N ATOM 373 CZ ARG A 26 -8.908 -15.285 -12.041 1.00 0.00 C ATOM 374 NH1 ARG A 26 -8.882 -16.297 -11.184 1.00 0.00 N ATOM 375 NH2 ARG A 26 -9.842 -15.243 -12.982 1.00 0.00 N ATOM 0 H ARG A 26 -7.242 -12.409 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.333 -14.877 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.749 -13.642 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.150 -15.290 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.476 -14.156 -9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.472 -12.725 -9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.142 -13.627 -11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.510 -15.283 -10.852 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.050 -13.553 -12.632 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.165 -16.333 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.579 -17.039 -11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.865 -14.467 -13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.537 -15.987 -13.044 1.00 0.00 H new ATOM 389 N LYS A 27 -5.405 -15.156 -5.825 1.00 0.00 N ATOM 390 CA LYS A 27 -4.609 -16.031 -4.973 1.00 0.00 C ATOM 391 C LYS A 27 -4.827 -15.703 -3.500 1.00 0.00 C ATOM 392 O LYS A 27 -5.730 -14.942 -3.149 1.00 0.00 O ATOM 393 CB LYS A 27 -3.124 -15.902 -5.321 1.00 0.00 C ATOM 394 CG LYS A 27 -2.396 -17.234 -5.381 1.00 0.00 C ATOM 395 CD LYS A 27 -2.243 -17.721 -6.812 1.00 0.00 C ATOM 396 CE LYS A 27 -1.276 -16.849 -7.598 1.00 0.00 C ATOM 397 NZ LYS A 27 -0.540 -17.628 -8.632 1.00 0.00 N ATOM 0 H LYS A 27 -4.961 -14.265 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.930 -17.058 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.027 -15.401 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.640 -15.266 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.412 -17.133 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.944 -17.976 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.887 -18.751 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.216 -17.721 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.825 -16.038 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.563 -16.390 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.191 -16.983 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.265 -18.117 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.179 -18.328 -9.059 1.00 0.00 H new ATOM 411 N THR A 28 -3.993 -16.280 -2.640 1.00 0.00 N ATOM 412 CA THR A 28 -4.095 -16.048 -1.204 1.00 0.00 C ATOM 413 C THR A 28 -4.112 -14.557 -0.888 1.00 0.00 C ATOM 414 O THR A 28 -3.933 -13.722 -1.776 1.00 0.00 O ATOM 415 CB THR A 28 -2.929 -16.709 -0.445 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.292 -17.683 -1.278 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.422 -17.371 0.833 1.00 0.00 C ATOM 0 H THR A 28 -3.240 -16.911 -2.913 1.00 0.00 H new ATOM 0 HA THR A 28 -5.033 -16.496 -0.877 1.00 0.00 H new ATOM 0 HB THR A 28 -2.211 -15.933 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.551 -18.097 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.581 -17.831 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.880 -16.621 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.158 -18.136 0.586 1.00 0.00 H new ATOM 425 N ARG A 29 -4.328 -14.228 0.382 1.00 0.00 N ATOM 426 CA ARG A 29 -4.368 -12.836 0.814 1.00 0.00 C ATOM 427 C ARG A 29 -3.143 -12.076 0.316 1.00 0.00 C ATOM 428 O ARG A 29 -3.162 -10.850 0.208 1.00 0.00 O ATOM 429 CB ARG A 29 -4.446 -12.757 2.340 1.00 0.00 C ATOM 430 CG ARG A 29 -5.550 -13.612 2.939 1.00 0.00 C ATOM 431 CD ARG A 29 -6.906 -13.272 2.340 1.00 0.00 C ATOM 432 NE ARG A 29 -7.309 -11.901 2.643 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.489 -11.391 2.307 1.00 0.00 C ATOM 434 NH1 ARG A 29 -9.377 -12.134 1.662 1.00 0.00 N ATOM 435 NH2 ARG A 29 -8.782 -10.134 2.617 1.00 0.00 N ATOM 0 H ARG A 29 -4.478 -14.906 1.129 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.258 -12.374 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.489 -13.067 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.602 -11.719 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.329 -14.666 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.581 -13.464 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.870 -13.409 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.656 -13.964 2.724 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.649 -11.303 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.155 -13.100 1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.282 -11.739 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.101 -9.559 3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.688 -9.743 2.359 1.00 0.00 H new ATOM 449 N ALA A 30 -2.078 -12.812 0.015 1.00 0.00 N ATOM 450 CA ALA A 30 -0.845 -12.208 -0.473 1.00 0.00 C ATOM 451 C ALA A 30 -1.010 -11.701 -1.902 1.00 0.00 C ATOM 452 O ALA A 30 -1.647 -12.349 -2.732 1.00 0.00 O ATOM 453 CB ALA A 30 0.300 -13.207 -0.395 1.00 0.00 C ATOM 0 H ALA A 30 -2.045 -13.828 0.101 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.612 -11.354 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.214 -12.742 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.442 -13.518 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.065 -14.078 -1.006 1.00 0.00 H new ATOM 459 N CYS A 31 -0.432 -10.537 -2.182 1.00 0.00 N ATOM 460 CA CYS A 31 -0.516 -9.941 -3.510 1.00 0.00 C ATOM 461 C CYS A 31 0.764 -10.194 -4.301 1.00 0.00 C ATOM 462 O CYS A 31 1.841 -9.728 -3.927 1.00 0.00 O ATOM 463 CB CYS A 31 -0.773 -8.437 -3.402 1.00 0.00 C ATOM 464 SG CYS A 31 -1.942 -7.791 -4.641 1.00 0.00 S ATOM 0 H CYS A 31 0.100 -9.988 -1.506 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.347 -10.407 -4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.157 -8.215 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.175 -7.909 -3.503 1.00 0.00 H new ATOM 469 N LYS A 32 0.639 -10.935 -5.397 1.00 0.00 N ATOM 470 CA LYS A 32 1.785 -11.249 -6.243 1.00 0.00 C ATOM 471 C LYS A 32 1.372 -11.329 -7.709 1.00 0.00 C ATOM 472 O LYS A 32 0.240 -11.696 -8.027 1.00 0.00 O ATOM 473 CB LYS A 32 2.418 -12.572 -5.808 1.00 0.00 C ATOM 474 CG LYS A 32 1.623 -13.796 -6.230 1.00 0.00 C ATOM 475 CD LYS A 32 1.393 -14.741 -5.063 1.00 0.00 C ATOM 476 CE LYS A 32 2.382 -15.897 -5.079 1.00 0.00 C ATOM 477 NZ LYS A 32 3.793 -15.419 -5.058 1.00 0.00 N ATOM 0 H LYS A 32 -0.244 -11.329 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 32 2.517 -10.449 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.422 -12.639 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.524 -12.575 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.663 -13.484 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.154 -14.320 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.487 -14.193 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.376 -15.130 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.203 -16.540 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.217 -16.504 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.429 -16.203 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.909 -14.648 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.028 -15.071 -4.106 1.00 0.00 H new ATOM 491 N TYR A 33 2.297 -10.984 -8.599 1.00 0.00 N ATOM 492 CA TYR A 33 2.028 -11.016 -10.031 1.00 0.00 C ATOM 493 C TYR A 33 1.515 -12.387 -10.459 1.00 0.00 C ATOM 494 O TYR A 33 2.172 -13.404 -10.238 1.00 0.00 O ATOM 495 CB TYR A 33 3.293 -10.665 -10.816 1.00 0.00 C ATOM 496 CG TYR A 33 4.417 -11.660 -10.629 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.255 -11.590 -9.523 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.641 -12.668 -11.559 1.00 0.00 C ATOM 499 CE1 TYR A 33 6.284 -12.496 -9.349 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.666 -13.578 -11.392 1.00 0.00 C ATOM 501 CZ TYR A 33 6.485 -13.488 -10.285 1.00 0.00 C ATOM 502 OH TYR A 33 7.508 -14.393 -10.116 1.00 0.00 O ATOM 0 H TYR A 33 3.239 -10.679 -8.353 1.00 0.00 H new ATOM 0 HA TYR A 33 1.257 -10.276 -10.247 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.047 -10.602 -11.876 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.638 -9.678 -10.510 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.100 -10.815 -8.787 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.003 -12.741 -12.427 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.927 -12.427 -8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.826 -14.356 -12.124 1.00 0.00 H new ATOM 0 HH TYR A 33 7.511 -15.026 -10.864 1.00 0.00 H new ATOM 512 N GLN A 34 0.336 -12.406 -11.073 1.00 0.00 N ATOM 513 CA GLN A 34 -0.267 -13.651 -11.532 1.00 0.00 C ATOM 514 C GLN A 34 -0.174 -13.774 -13.050 1.00 0.00 C ATOM 515 O GLN A 34 0.600 -14.576 -13.571 1.00 0.00 O ATOM 516 CB GLN A 34 -1.729 -13.728 -11.090 1.00 0.00 C ATOM 517 CG GLN A 34 -2.508 -14.851 -11.757 1.00 0.00 C ATOM 518 CD GLN A 34 -3.254 -15.716 -10.760 1.00 0.00 C ATOM 519 OE1 GLN A 34 -4.288 -15.315 -10.226 1.00 0.00 O ATOM 520 NE2 GLN A 34 -2.732 -16.910 -10.505 1.00 0.00 N ATOM 0 H GLN A 34 -0.220 -11.573 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 34 0.284 -14.478 -11.085 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.766 -13.863 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.217 -12.778 -11.310 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.218 -14.424 -12.465 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.821 -15.474 -12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.873 -17.201 -10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.190 -17.536 -9.843 1.00 0.00 H new ATOM 529 N ILE A 35 -0.969 -12.974 -13.752 1.00 0.00 N ATOM 530 CA ILE A 35 -0.976 -12.992 -15.210 1.00 0.00 C ATOM 531 C ILE A 35 -1.005 -11.577 -15.778 1.00 0.00 C ATOM 532 O ILE A 35 -1.704 -11.302 -16.753 1.00 0.00 O ATOM 533 CB ILE A 35 -2.183 -13.777 -15.757 1.00 0.00 C ATOM 534 CG1 ILE A 35 -3.487 -13.212 -15.189 1.00 0.00 C ATOM 535 CG2 ILE A 35 -2.050 -15.255 -15.421 1.00 0.00 C ATOM 536 CD1 ILE A 35 -4.654 -13.308 -16.147 1.00 0.00 C ATOM 0 H ILE A 35 -1.617 -12.305 -13.335 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.057 -13.488 -15.524 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.205 -13.671 -16.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.736 -13.745 -14.271 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.334 -12.167 -14.919 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.910 -15.796 -15.814 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.138 -15.649 -15.869 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.006 -15.380 -14.339 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.545 -12.889 -15.679 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.426 -12.751 -17.056 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.834 -14.353 -16.398 1.00 0.00 H new TER 548 ILE A 35