USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 hydrogens (13 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: B 75 DAR HXT : B 75 DAR OXT : B 75 DAR C :(short bond) USER MOD NoAdj-H: B 75 DAR H2 : B 75 DAR N : B 74 GLY C :(H bumps) USER MOD NoAdj-H: B 75 DAR H : B 75 DAR N : B 74 GLY C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00372 (180deg=-0.182) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00166) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 13:sc= -3.75! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -4.5! K(o=-4.5!,f=-1.8) USER MOD Single : A 16 SER OG : rot 65:sc= 1.21 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -104:sc= -1.7! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 30 ASN : amide:sc= -0.215 K(o=-0.22,f=-1) USER MOD Single : A 33 THR OG1 : rot 130:sc= -1.22 USER MOD Single : A 36 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.113 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 63:sc= -1.38! USER MOD Single : A 59 SER OG : rot 69:sc= -0.344 USER MOD Single : A 60 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.3!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 66 SER OG : rot 180:sc= -0.04 USER MOD Single : A 67 HIS : no HD1:sc= -0.782 X(o=-0.78,f=-0.52) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.654 -9.677 -6.057 1.00 0.00 N ATOM 2 CA MET A 1 17.190 -8.838 -4.947 1.00 0.00 C ATOM 3 C MET A 1 16.463 -9.186 -3.648 1.00 0.00 C ATOM 4 O MET A 1 17.024 -9.113 -2.573 1.00 0.00 O ATOM 5 CB MET A 1 16.971 -7.360 -5.276 1.00 0.00 C ATOM 6 CG MET A 1 18.036 -6.893 -6.269 1.00 0.00 C ATOM 7 SD MET A 1 17.307 -6.768 -7.921 1.00 0.00 S ATOM 8 CE MET A 1 18.835 -6.395 -8.815 1.00 0.00 C ATOM 0 H1 MET A 1 17.275 -9.593 -6.887 1.00 0.00 H new ATOM 0 H2 MET A 1 16.615 -10.671 -5.753 1.00 0.00 H new ATOM 0 H3 MET A 1 15.697 -9.353 -6.306 1.00 0.00 H new ATOM 0 HA MET A 1 18.256 -9.030 -4.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.977 -7.214 -5.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.021 -6.763 -4.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.436 -5.926 -5.962 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.871 -7.594 -6.280 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.616 -6.275 -9.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.267 -5.473 -8.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.544 -7.212 -8.681 1.00 0.00 H new ATOM 20 N LEU A 2 15.218 -9.565 -3.737 1.00 0.00 N ATOM 21 CA LEU A 2 14.456 -9.919 -2.507 1.00 0.00 C ATOM 22 C LEU A 2 13.343 -10.904 -2.865 1.00 0.00 C ATOM 23 O LEU A 2 13.125 -11.219 -4.018 1.00 0.00 O ATOM 24 CB LEU A 2 13.841 -8.653 -1.905 1.00 0.00 C ATOM 25 CG LEU A 2 14.378 -8.450 -0.487 1.00 0.00 C ATOM 26 CD1 LEU A 2 14.883 -7.014 -0.333 1.00 0.00 C ATOM 27 CD2 LEU A 2 13.258 -8.706 0.523 1.00 0.00 C ATOM 0 H LEU A 2 14.695 -9.645 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 2 15.129 -10.376 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.082 -7.789 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.754 -8.738 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 2 15.198 -9.145 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.266 -6.869 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 2 15.680 -6.830 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 2 14.063 -6.319 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.640 -8.562 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.439 -8.010 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.897 -9.729 0.414 1.00 0.00 H new ATOM 39 N GLN A 3 12.634 -11.395 -1.884 1.00 0.00 N ATOM 40 CA GLN A 3 11.536 -12.360 -2.170 1.00 0.00 C ATOM 41 C GLN A 3 10.192 -11.629 -2.134 1.00 0.00 C ATOM 42 O GLN A 3 9.238 -12.033 -2.769 1.00 0.00 O ATOM 43 CB GLN A 3 11.542 -13.469 -1.115 1.00 0.00 C ATOM 44 CG GLN A 3 10.801 -14.693 -1.657 1.00 0.00 C ATOM 45 CD GLN A 3 11.775 -15.866 -1.782 1.00 0.00 C ATOM 46 OE1 GLN A 3 12.150 -16.468 -0.796 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.202 -16.220 -2.964 1.00 0.00 N ATOM 0 H GLN A 3 12.768 -11.169 -0.898 1.00 0.00 H new ATOM 0 HA GLN A 3 11.686 -12.797 -3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.567 -13.736 -0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.065 -13.118 -0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.980 -14.958 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.363 -14.465 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.887 -15.715 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.850 -17.002 -3.059 1.00 0.00 H new ATOM 56 N LYS A 4 10.109 -10.556 -1.396 1.00 0.00 N ATOM 57 CA LYS A 4 8.826 -9.802 -1.319 1.00 0.00 C ATOM 58 C LYS A 4 8.234 -9.657 -2.723 1.00 0.00 C ATOM 59 O LYS A 4 8.943 -9.445 -3.687 1.00 0.00 O ATOM 60 CB LYS A 4 9.083 -8.414 -0.729 1.00 0.00 C ATOM 61 CG LYS A 4 8.830 -8.447 0.780 1.00 0.00 C ATOM 62 CD LYS A 4 9.544 -7.265 1.441 1.00 0.00 C ATOM 63 CE LYS A 4 10.345 -7.763 2.645 1.00 0.00 C ATOM 64 NZ LYS A 4 9.410 -8.122 3.750 1.00 0.00 N ATOM 0 H LYS A 4 10.874 -10.169 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 4 8.126 -10.343 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.109 -8.106 -0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.431 -7.680 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.760 -8.399 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.191 -9.386 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.207 -6.780 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.816 -6.518 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.943 -8.630 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.039 -6.991 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.955 -8.445 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.846 -7.288 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.776 -8.884 3.435 1.00 0.00 H new ATOM 78 N LYS A 5 6.940 -9.767 -2.845 1.00 0.00 N ATOM 79 CA LYS A 5 6.303 -9.634 -4.186 1.00 0.00 C ATOM 80 C LYS A 5 5.998 -8.160 -4.459 1.00 0.00 C ATOM 81 O LYS A 5 6.729 -7.487 -5.159 1.00 0.00 O ATOM 82 CB LYS A 5 5.005 -10.442 -4.215 1.00 0.00 C ATOM 83 CG LYS A 5 5.322 -11.920 -3.978 1.00 0.00 C ATOM 84 CD LYS A 5 4.162 -12.781 -4.480 1.00 0.00 C ATOM 85 CE LYS A 5 4.338 -14.215 -3.978 1.00 0.00 C ATOM 86 NZ LYS A 5 3.065 -14.687 -3.365 1.00 0.00 N ATOM 0 H LYS A 5 6.296 -9.943 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 5 6.980 -10.011 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.320 -10.078 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.506 -10.315 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.241 -12.193 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.489 -12.101 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.214 -12.375 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.129 -12.767 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.621 -14.868 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.145 -14.259 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.185 -15.662 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.814 -14.069 -2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.306 -14.660 -4.076 1.00 0.00 H new ATOM 100 N ILE A 6 4.930 -7.650 -3.910 1.00 0.00 N ATOM 101 CA ILE A 6 4.590 -6.217 -4.139 1.00 0.00 C ATOM 102 C ILE A 6 5.058 -5.394 -2.930 1.00 0.00 C ATOM 103 O ILE A 6 5.110 -4.181 -2.975 1.00 0.00 O ATOM 104 CB ILE A 6 3.069 -6.079 -4.332 1.00 0.00 C ATOM 105 CG1 ILE A 6 2.723 -6.301 -5.809 1.00 0.00 C ATOM 106 CG2 ILE A 6 2.599 -4.681 -3.914 1.00 0.00 C ATOM 107 CD1 ILE A 6 3.172 -5.090 -6.630 1.00 0.00 C ATOM 0 H ILE A 6 4.279 -8.162 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 6 5.090 -5.848 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 6 2.569 -6.823 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.212 -7.203 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.650 -6.452 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.521 -4.601 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.839 -4.516 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.102 -3.931 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.925 -5.250 -7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.662 -4.197 -6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.249 -4.959 -6.527 1.00 0.00 H new ATOM 119 N GLU A 7 5.399 -6.047 -1.852 1.00 0.00 N ATOM 120 CA GLU A 7 5.863 -5.308 -0.642 1.00 0.00 C ATOM 121 C GLU A 7 6.937 -4.292 -1.041 1.00 0.00 C ATOM 122 O GLU A 7 6.712 -3.095 -1.035 1.00 0.00 O ATOM 123 CB GLU A 7 6.449 -6.298 0.367 1.00 0.00 C ATOM 124 CG GLU A 7 6.156 -5.816 1.789 1.00 0.00 C ATOM 125 CD GLU A 7 5.734 -7.004 2.655 1.00 0.00 C ATOM 126 OE1 GLU A 7 5.080 -7.891 2.131 1.00 0.00 O ATOM 127 OE2 GLU A 7 6.072 -7.008 3.826 1.00 0.00 O ATOM 0 H GLU A 7 5.376 -7.062 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 7 5.019 -4.785 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.019 -7.288 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.525 -6.391 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.041 -5.340 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.366 -5.065 1.774 1.00 0.00 H new ATOM 134 N GLU A 8 8.105 -4.754 -1.388 1.00 0.00 N ATOM 135 CA GLU A 8 9.176 -3.803 -1.785 1.00 0.00 C ATOM 136 C GLU A 8 8.770 -3.117 -3.084 1.00 0.00 C ATOM 137 O GLU A 8 9.124 -1.980 -3.323 1.00 0.00 O ATOM 138 CB GLU A 8 10.496 -4.555 -1.981 1.00 0.00 C ATOM 139 CG GLU A 8 10.337 -5.576 -3.109 1.00 0.00 C ATOM 140 CD GLU A 8 11.667 -6.298 -3.335 1.00 0.00 C ATOM 141 OE1 GLU A 8 12.682 -5.622 -3.395 1.00 0.00 O ATOM 142 OE2 GLU A 8 11.647 -7.512 -3.447 1.00 0.00 O ATOM 0 H GLU A 8 8.362 -5.741 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 8 9.313 -3.056 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.295 -3.853 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.781 -5.059 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.559 -6.296 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.022 -5.076 -4.025 1.00 0.00 H new ATOM 149 N ILE A 9 7.995 -3.771 -3.914 1.00 0.00 N ATOM 150 CA ILE A 9 7.547 -3.097 -5.164 1.00 0.00 C ATOM 151 C ILE A 9 7.013 -1.738 -4.738 1.00 0.00 C ATOM 152 O ILE A 9 7.139 -0.746 -5.427 1.00 0.00 O ATOM 153 CB ILE A 9 6.438 -3.908 -5.833 1.00 0.00 C ATOM 154 CG1 ILE A 9 7.022 -5.219 -6.369 1.00 0.00 C ATOM 155 CG2 ILE A 9 5.840 -3.103 -6.989 1.00 0.00 C ATOM 156 CD1 ILE A 9 7.850 -4.939 -7.626 1.00 0.00 C ATOM 0 H ILE A 9 7.660 -4.725 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 9 8.363 -3.003 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 9 5.657 -4.127 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.646 -5.689 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.219 -5.919 -6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.049 -3.683 -7.465 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.426 -2.170 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.618 -2.882 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.264 -5.874 -8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.214 -4.489 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.663 -4.255 -7.381 1.00 0.00 H new ATOM 168 N ALA A 10 6.464 -1.698 -3.555 1.00 0.00 N ATOM 169 CA ALA A 10 5.961 -0.423 -2.993 1.00 0.00 C ATOM 170 C ALA A 10 7.150 0.267 -2.335 1.00 0.00 C ATOM 171 O ALA A 10 7.291 1.474 -2.373 1.00 0.00 O ATOM 172 CB ALA A 10 4.889 -0.712 -1.939 1.00 0.00 C ATOM 0 H ALA A 10 6.343 -2.509 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 10 5.521 0.203 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.521 0.228 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.063 -1.255 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.319 -1.315 -1.139 1.00 0.00 H new ATOM 178 N ALA A 11 8.019 -0.507 -1.732 1.00 0.00 N ATOM 179 CA ALA A 11 9.216 0.084 -1.075 1.00 0.00 C ATOM 180 C ALA A 11 9.987 0.936 -2.089 1.00 0.00 C ATOM 181 O ALA A 11 10.812 1.752 -1.729 1.00 0.00 O ATOM 182 CB ALA A 11 10.136 -1.021 -0.562 1.00 0.00 C ATOM 0 H ALA A 11 7.947 -1.522 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 11 8.887 0.700 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.008 -0.575 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.599 -1.635 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.459 -1.643 -1.397 1.00 0.00 H new ATOM 188 N LYS A 12 9.739 0.733 -3.358 1.00 0.00 N ATOM 189 CA LYS A 12 10.474 1.512 -4.398 1.00 0.00 C ATOM 190 C LYS A 12 9.638 2.705 -4.874 1.00 0.00 C ATOM 191 O LYS A 12 10.169 3.675 -5.378 1.00 0.00 O ATOM 192 CB LYS A 12 10.776 0.600 -5.589 1.00 0.00 C ATOM 193 CG LYS A 12 12.178 0.009 -5.436 1.00 0.00 C ATOM 194 CD LYS A 12 12.088 -1.518 -5.397 1.00 0.00 C ATOM 195 CE LYS A 12 12.034 -2.062 -6.826 1.00 0.00 C ATOM 196 NZ LYS A 12 12.041 -3.552 -6.790 1.00 0.00 N ATOM 0 H LYS A 12 9.060 0.062 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 12 11.402 1.887 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.037 -0.199 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.707 1.164 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.810 0.325 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.643 0.380 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.949 -1.930 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.200 -1.827 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.136 -1.704 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.887 -1.697 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.004 -3.923 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.910 -3.884 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.213 -3.890 -6.259 1.00 0.00 H new ATOM 210 N TYR A 13 8.341 2.657 -4.722 1.00 0.00 N ATOM 211 CA TYR A 13 7.513 3.810 -5.178 1.00 0.00 C ATOM 212 C TYR A 13 8.077 5.062 -4.496 1.00 0.00 C ATOM 213 O TYR A 13 7.854 5.287 -3.327 1.00 0.00 O ATOM 214 CB TYR A 13 6.027 3.572 -4.818 1.00 0.00 C ATOM 215 CG TYR A 13 5.414 2.651 -5.853 1.00 0.00 C ATOM 216 CD1 TYR A 13 6.148 1.547 -6.290 1.00 0.00 C ATOM 217 CD2 TYR A 13 4.126 2.891 -6.389 1.00 0.00 C ATOM 218 CE1 TYR A 13 5.622 0.681 -7.246 1.00 0.00 C ATOM 219 CE2 TYR A 13 3.611 2.021 -7.345 1.00 0.00 C ATOM 220 CZ TYR A 13 4.356 0.917 -7.772 1.00 0.00 C ATOM 221 OH TYR A 13 3.833 0.062 -8.719 1.00 0.00 O ATOM 0 H TYR A 13 7.825 1.881 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 13 7.554 3.932 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.946 3.130 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.489 4.520 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.132 1.363 -5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.548 3.742 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.196 -0.172 -7.578 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.630 2.199 -7.760 1.00 0.00 H new ATOM 0 HH TYR A 13 4.374 -0.754 -8.757 1.00 0.00 H new ATOM 231 N LYS A 14 8.854 5.832 -5.239 1.00 0.00 N ATOM 232 CA LYS A 14 9.538 7.066 -4.706 1.00 0.00 C ATOM 233 C LYS A 14 9.286 7.271 -3.208 1.00 0.00 C ATOM 234 O LYS A 14 8.178 7.513 -2.773 1.00 0.00 O ATOM 235 CB LYS A 14 9.055 8.299 -5.474 1.00 0.00 C ATOM 236 CG LYS A 14 10.266 9.113 -5.931 1.00 0.00 C ATOM 237 CD LYS A 14 11.116 8.272 -6.886 1.00 0.00 C ATOM 238 CE LYS A 14 10.940 8.789 -8.314 1.00 0.00 C ATOM 239 NZ LYS A 14 12.155 8.466 -9.114 1.00 0.00 N ATOM 0 H LYS A 14 9.047 5.648 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 14 10.610 6.927 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.460 7.996 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.411 8.908 -4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.937 10.026 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.860 9.416 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.166 8.323 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.819 7.225 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.060 8.335 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.774 9.866 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.035 8.818 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.986 8.919 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.294 7.435 -9.134 1.00 0.00 H new ATOM 253 N HIS A 15 10.328 7.169 -2.420 1.00 0.00 N ATOM 254 CA HIS A 15 10.189 7.347 -0.945 1.00 0.00 C ATOM 255 C HIS A 15 9.893 8.812 -0.619 1.00 0.00 C ATOM 256 O HIS A 15 10.783 9.632 -0.511 1.00 0.00 O ATOM 257 CB HIS A 15 11.489 6.925 -0.259 1.00 0.00 C ATOM 258 CG HIS A 15 12.634 7.720 -0.822 1.00 0.00 C ATOM 259 ND1 HIS A 15 13.903 7.683 -0.267 1.00 0.00 N ATOM 260 CD2 HIS A 15 12.717 8.579 -1.889 1.00 0.00 C ATOM 261 CE1 HIS A 15 14.689 8.497 -0.995 1.00 0.00 C ATOM 262 NE2 HIS A 15 14.016 9.068 -1.998 1.00 0.00 N ATOM 0 H HIS A 15 11.275 6.968 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 15 9.366 6.729 -0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.414 7.087 0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.663 5.860 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.899 8.837 -2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.736 8.668 -0.793 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.376 9.721 -2.694 1.00 0.00 H new ATOM 270 N SER A 16 8.645 9.137 -0.455 1.00 0.00 N ATOM 271 CA SER A 16 8.255 10.537 -0.127 1.00 0.00 C ATOM 272 C SER A 16 6.736 10.581 -0.012 1.00 0.00 C ATOM 273 O SER A 16 6.177 11.059 0.955 1.00 0.00 O ATOM 274 CB SER A 16 8.715 11.479 -1.241 1.00 0.00 C ATOM 275 OG SER A 16 9.972 12.042 -0.891 1.00 0.00 O ATOM 0 H SER A 16 7.865 8.484 -0.535 1.00 0.00 H new ATOM 0 HA SER A 16 8.720 10.853 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.797 10.935 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.979 12.269 -1.392 1.00 0.00 H new ATOM 0 HG SER A 16 10.647 11.333 -0.846 1.00 0.00 H new ATOM 281 N VAL A 17 6.073 10.054 -0.999 1.00 0.00 N ATOM 282 CA VAL A 17 4.591 10.013 -0.990 1.00 0.00 C ATOM 283 C VAL A 17 4.163 8.753 -1.737 1.00 0.00 C ATOM 284 O VAL A 17 3.600 7.840 -1.172 1.00 0.00 O ATOM 285 CB VAL A 17 4.040 11.254 -1.696 1.00 0.00 C ATOM 286 CG1 VAL A 17 2.575 11.025 -2.067 1.00 0.00 C ATOM 287 CG2 VAL A 17 4.146 12.461 -0.761 1.00 0.00 C ATOM 0 H VAL A 17 6.505 9.643 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 17 4.208 9.999 0.030 1.00 0.00 H new ATOM 0 HB VAL A 17 4.617 11.442 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.184 11.910 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.498 10.166 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.996 10.836 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.754 13.346 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.569 12.272 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.191 12.627 -0.498 1.00 0.00 H new ATOM 297 N VAL A 18 4.459 8.696 -3.004 1.00 0.00 N ATOM 298 CA VAL A 18 4.107 7.499 -3.818 1.00 0.00 C ATOM 299 C VAL A 18 4.468 6.223 -3.057 1.00 0.00 C ATOM 300 O VAL A 18 3.921 5.171 -3.304 1.00 0.00 O ATOM 301 CB VAL A 18 4.918 7.539 -5.103 1.00 0.00 C ATOM 302 CG1 VAL A 18 6.400 7.526 -4.738 1.00 0.00 C ATOM 303 CG2 VAL A 18 4.595 6.312 -5.956 1.00 0.00 C ATOM 0 H VAL A 18 4.936 9.437 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 18 3.038 7.504 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 18 4.675 8.439 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.999 7.554 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.631 8.397 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.629 6.618 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.178 6.345 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.843 5.407 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.533 6.308 -6.200 1.00 0.00 H new ATOM 313 N LYS A 19 5.396 6.299 -2.146 1.00 0.00 N ATOM 314 CA LYS A 19 5.788 5.078 -1.389 1.00 0.00 C ATOM 315 C LYS A 19 4.650 4.692 -0.440 1.00 0.00 C ATOM 316 O LYS A 19 3.897 3.775 -0.702 1.00 0.00 O ATOM 317 CB LYS A 19 7.071 5.364 -0.599 1.00 0.00 C ATOM 318 CG LYS A 19 7.223 4.362 0.553 1.00 0.00 C ATOM 319 CD LYS A 19 8.603 3.705 0.482 1.00 0.00 C ATOM 320 CE LYS A 19 9.294 3.821 1.841 1.00 0.00 C ATOM 321 NZ LYS A 19 10.361 2.786 1.945 1.00 0.00 N ATOM 0 H LYS A 19 5.899 7.150 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 19 5.974 4.252 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.935 5.301 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.044 6.380 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.100 4.870 1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.444 3.602 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.504 2.657 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.207 4.186 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.724 4.816 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.567 3.691 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.832 2.864 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.938 1.841 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.059 2.930 1.188 1.00 0.00 H new ATOM 335 N LYS A 20 4.513 5.384 0.659 1.00 0.00 N ATOM 336 CA LYS A 20 3.421 5.047 1.618 1.00 0.00 C ATOM 337 C LYS A 20 2.089 4.966 0.875 1.00 0.00 C ATOM 338 O LYS A 20 1.142 4.380 1.353 1.00 0.00 O ATOM 339 CB LYS A 20 3.342 6.117 2.709 1.00 0.00 C ATOM 340 CG LYS A 20 3.116 7.486 2.066 1.00 0.00 C ATOM 341 CD LYS A 20 3.522 8.586 3.048 1.00 0.00 C ATOM 342 CE LYS A 20 2.759 9.872 2.721 1.00 0.00 C ATOM 343 NZ LYS A 20 1.538 9.953 3.572 1.00 0.00 N ATOM 0 H LYS A 20 5.108 6.166 0.934 1.00 0.00 H new ATOM 0 HA LYS A 20 3.633 4.082 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.529 5.889 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.263 6.125 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.699 7.569 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.068 7.600 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.307 8.273 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.596 8.763 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.395 10.740 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.483 9.886 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.018 10.826 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.929 9.131 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.814 9.958 4.575 1.00 0.00 H new ATOM 357 N CYS A 21 2.012 5.533 -0.294 1.00 0.00 N ATOM 358 CA CYS A 21 0.754 5.463 -1.082 1.00 0.00 C ATOM 359 C CYS A 21 0.607 4.060 -1.652 1.00 0.00 C ATOM 360 O CYS A 21 -0.256 3.309 -1.273 1.00 0.00 O ATOM 361 CB CYS A 21 0.841 6.401 -2.249 1.00 0.00 C ATOM 362 SG CYS A 21 0.945 8.113 -1.669 1.00 0.00 S ATOM 0 H CYS A 21 2.773 6.046 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.085 5.722 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.715 6.161 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.033 6.279 -2.889 1.00 0.00 H new ATOM 367 N CYS A 22 1.453 3.707 -2.579 1.00 0.00 N ATOM 368 CA CYS A 22 1.369 2.355 -3.182 1.00 0.00 C ATOM 369 C CYS A 22 1.171 1.344 -2.052 1.00 0.00 C ATOM 370 O CYS A 22 0.357 0.423 -2.140 1.00 0.00 O ATOM 371 CB CYS A 22 2.642 2.094 -3.974 1.00 0.00 C ATOM 372 SG CYS A 22 3.065 0.324 -4.025 1.00 0.00 S ATOM 0 H CYS A 22 2.199 4.300 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 22 0.528 2.268 -3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.519 2.466 -4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.466 2.651 -3.528 1.00 0.00 H new ATOM 377 N TYR A 23 1.864 1.541 -0.959 1.00 0.00 N ATOM 378 CA TYR A 23 1.663 0.632 0.186 1.00 0.00 C ATOM 379 C TYR A 23 0.188 0.733 0.537 1.00 0.00 C ATOM 380 O TYR A 23 -0.507 -0.243 0.605 1.00 0.00 O ATOM 381 CB TYR A 23 2.509 1.071 1.382 1.00 0.00 C ATOM 382 CG TYR A 23 3.880 0.446 1.291 1.00 0.00 C ATOM 383 CD1 TYR A 23 4.871 1.066 0.530 1.00 0.00 C ATOM 384 CD2 TYR A 23 4.164 -0.748 1.968 1.00 0.00 C ATOM 385 CE1 TYR A 23 6.147 0.503 0.441 1.00 0.00 C ATOM 386 CE2 TYR A 23 5.443 -1.314 1.880 1.00 0.00 C ATOM 387 CZ TYR A 23 6.435 -0.688 1.118 1.00 0.00 C ATOM 388 OH TYR A 23 7.693 -1.244 1.031 1.00 0.00 O ATOM 0 H TYR A 23 2.549 2.284 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 23 1.959 -0.387 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.594 2.157 1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.024 0.774 2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.651 1.985 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.398 -1.231 2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.911 0.987 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.663 -2.234 2.401 1.00 0.00 H new ATOM 0 HH TYR A 23 7.670 -2.011 0.421 1.00 0.00 H new ATOM 398 N ASP A 24 -0.287 1.938 0.717 1.00 0.00 N ATOM 399 CA ASP A 24 -1.728 2.161 1.032 1.00 0.00 C ATOM 400 C ASP A 24 -2.588 1.337 0.078 1.00 0.00 C ATOM 401 O ASP A 24 -3.644 0.849 0.437 1.00 0.00 O ATOM 402 CB ASP A 24 -2.065 3.659 0.866 1.00 0.00 C ATOM 403 CG ASP A 24 -1.590 4.423 2.103 1.00 0.00 C ATOM 404 OD1 ASP A 24 -1.384 3.789 3.125 1.00 0.00 O ATOM 405 OD2 ASP A 24 -1.439 5.630 2.008 1.00 0.00 O ATOM 0 H ASP A 24 0.272 2.789 0.658 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.928 1.856 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.583 4.055 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.139 3.790 0.734 1.00 0.00 H new ATOM 410 N GLY A 25 -2.139 1.183 -1.135 1.00 0.00 N ATOM 411 CA GLY A 25 -2.912 0.409 -2.137 1.00 0.00 C ATOM 412 C GLY A 25 -2.992 -1.050 -1.696 1.00 0.00 C ATOM 413 O GLY A 25 -4.055 -1.574 -1.426 1.00 0.00 O ATOM 0 H GLY A 25 -1.258 1.566 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.914 0.825 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.435 0.480 -3.115 1.00 0.00 H new ATOM 417 N ALA A 26 -1.871 -1.717 -1.638 1.00 0.00 N ATOM 418 CA ALA A 26 -1.887 -3.160 -1.238 1.00 0.00 C ATOM 419 C ALA A 26 -1.976 -3.327 0.290 1.00 0.00 C ATOM 420 O ALA A 26 -1.932 -4.430 0.796 1.00 0.00 O ATOM 421 CB ALA A 26 -0.608 -3.833 -1.739 1.00 0.00 C ATOM 0 H ALA A 26 -0.950 -1.332 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.768 -3.624 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.613 -4.884 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.557 -3.755 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.259 -3.340 -1.298 1.00 0.00 H new ATOM 427 N SER A 27 -2.095 -2.259 1.032 1.00 0.00 N ATOM 428 CA SER A 27 -2.179 -2.396 2.518 1.00 0.00 C ATOM 429 C SER A 27 -3.615 -2.209 2.990 1.00 0.00 C ATOM 430 O SER A 27 -4.178 -3.049 3.662 1.00 0.00 O ATOM 431 CB SER A 27 -1.300 -1.355 3.194 1.00 0.00 C ATOM 432 OG SER A 27 -0.082 -1.959 3.605 1.00 0.00 O ATOM 0 H SER A 27 -2.138 -1.303 0.678 1.00 0.00 H new ATOM 0 HA SER A 27 -1.836 -3.396 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.097 -0.533 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.817 -0.931 4.055 1.00 0.00 H new ATOM 0 HG SER A 27 0.486 -1.288 4.039 1.00 0.00 H new ATOM 438 N VAL A 28 -4.197 -1.094 2.661 1.00 0.00 N ATOM 439 CA VAL A 28 -5.588 -0.814 3.103 1.00 0.00 C ATOM 440 C VAL A 28 -6.465 -2.058 2.896 1.00 0.00 C ATOM 441 O VAL A 28 -6.054 -3.027 2.289 1.00 0.00 O ATOM 442 CB VAL A 28 -6.124 0.379 2.300 1.00 0.00 C ATOM 443 CG1 VAL A 28 -6.815 -0.100 1.019 1.00 0.00 C ATOM 444 CG2 VAL A 28 -7.115 1.167 3.158 1.00 0.00 C ATOM 0 H VAL A 28 -3.766 -0.359 2.101 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.606 -0.568 4.165 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.287 1.020 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.188 0.760 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.101 -0.648 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.648 -0.754 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.496 2.014 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.944 0.520 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.612 1.529 4.055 1.00 0.00 H new ATOM 454 N ASN A 29 -7.670 -2.035 3.405 1.00 0.00 N ATOM 455 CA ASN A 29 -8.578 -3.208 3.249 1.00 0.00 C ATOM 456 C ASN A 29 -8.482 -3.750 1.824 1.00 0.00 C ATOM 457 O ASN A 29 -7.928 -3.120 0.945 1.00 0.00 O ATOM 458 CB ASN A 29 -10.021 -2.773 3.521 1.00 0.00 C ATOM 459 CG ASN A 29 -10.639 -3.682 4.585 1.00 0.00 C ATOM 460 OD1 ASN A 29 -10.094 -3.836 5.660 1.00 0.00 O ATOM 461 ND2 ASN A 29 -11.763 -4.294 4.330 1.00 0.00 N ATOM 0 H ASN A 29 -8.065 -1.250 3.924 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.284 -3.985 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.042 -1.736 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.606 -2.822 2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.184 -4.901 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.221 -4.165 3.428 1.00 0.00 H new ATOM 468 N ASN A 30 -9.029 -4.910 1.586 1.00 0.00 N ATOM 469 CA ASN A 30 -8.978 -5.487 0.216 1.00 0.00 C ATOM 470 C ASN A 30 -9.301 -4.394 -0.802 1.00 0.00 C ATOM 471 O ASN A 30 -8.887 -4.453 -1.942 1.00 0.00 O ATOM 472 CB ASN A 30 -10.005 -6.616 0.097 1.00 0.00 C ATOM 473 CG ASN A 30 -9.491 -7.669 -0.886 1.00 0.00 C ATOM 474 OD1 ASN A 30 -8.330 -8.024 -0.863 1.00 0.00 O ATOM 475 ND2 ASN A 30 -10.314 -8.188 -1.757 1.00 0.00 N ATOM 0 H ASN A 30 -9.508 -5.482 2.281 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.982 -5.885 0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.179 -7.068 1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.961 -6.219 -0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.981 -8.891 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.289 -7.891 -1.777 1.00 0.00 H new ATOM 482 N ASP A 31 -10.035 -3.390 -0.400 1.00 0.00 N ATOM 483 CA ASP A 31 -10.375 -2.298 -1.351 1.00 0.00 C ATOM 484 C ASP A 31 -10.873 -1.066 -0.589 1.00 0.00 C ATOM 485 O ASP A 31 -11.664 -0.298 -1.098 1.00 0.00 O ATOM 486 CB ASP A 31 -11.466 -2.780 -2.308 1.00 0.00 C ATOM 487 CG ASP A 31 -12.558 -3.501 -1.517 1.00 0.00 C ATOM 488 OD1 ASP A 31 -12.221 -4.403 -0.769 1.00 0.00 O ATOM 489 OD2 ASP A 31 -13.712 -3.138 -1.672 1.00 0.00 O ATOM 0 H ASP A 31 -10.411 -3.281 0.542 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.482 -2.028 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.892 -1.933 -2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.040 -3.451 -3.054 1.00 0.00 H new ATOM 494 N GLU A 32 -10.417 -0.856 0.619 1.00 0.00 N ATOM 495 CA GLU A 32 -10.880 0.346 1.370 1.00 0.00 C ATOM 496 C GLU A 32 -10.617 1.582 0.501 1.00 0.00 C ATOM 497 O GLU A 32 -11.527 2.178 -0.042 1.00 0.00 O ATOM 498 CB GLU A 32 -10.125 0.463 2.703 1.00 0.00 C ATOM 499 CG GLU A 32 -10.111 1.920 3.182 1.00 0.00 C ATOM 500 CD GLU A 32 -9.494 1.994 4.581 1.00 0.00 C ATOM 501 OE1 GLU A 32 -9.948 1.264 5.446 1.00 0.00 O ATOM 502 OE2 GLU A 32 -8.579 2.780 4.762 1.00 0.00 O ATOM 0 H GLU A 32 -9.754 -1.455 1.111 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.944 0.263 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.599 -0.169 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.103 0.103 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.539 2.536 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.126 2.318 3.199 1.00 0.00 H new ATOM 509 N THR A 33 -9.375 1.960 0.356 1.00 0.00 N ATOM 510 CA THR A 33 -9.044 3.142 -0.488 1.00 0.00 C ATOM 511 C THR A 33 -8.584 2.655 -1.863 1.00 0.00 C ATOM 512 O THR A 33 -8.800 3.305 -2.861 1.00 0.00 O ATOM 513 CB THR A 33 -7.930 3.957 0.176 1.00 0.00 C ATOM 514 OG1 THR A 33 -7.594 5.060 -0.655 1.00 0.00 O ATOM 515 CG2 THR A 33 -6.698 3.077 0.381 1.00 0.00 C ATOM 0 H THR A 33 -8.574 1.499 0.787 1.00 0.00 H new ATOM 0 HA THR A 33 -9.924 3.775 -0.598 1.00 0.00 H new ATOM 0 HB THR A 33 -8.275 4.320 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.595 5.883 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.908 3.661 0.854 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.956 2.232 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.349 2.709 -0.584 1.00 0.00 H new ATOM 523 N CYS A 34 -7.971 1.499 -1.920 1.00 0.00 N ATOM 524 CA CYS A 34 -7.516 0.940 -3.229 1.00 0.00 C ATOM 525 C CYS A 34 -8.581 1.225 -4.279 1.00 0.00 C ATOM 526 O CYS A 34 -8.304 1.634 -5.386 1.00 0.00 O ATOM 527 CB CYS A 34 -7.367 -0.573 -3.082 1.00 0.00 C ATOM 528 SG CYS A 34 -6.650 -1.259 -4.591 1.00 0.00 S ATOM 0 H CYS A 34 -7.765 0.915 -1.110 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.568 1.389 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.732 -0.805 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.339 -1.028 -2.890 1.00 0.00 H new ATOM 533 N GLU A 35 -9.804 1.001 -3.916 1.00 0.00 N ATOM 534 CA GLU A 35 -10.935 1.225 -4.864 1.00 0.00 C ATOM 535 C GLU A 35 -11.239 2.717 -5.013 1.00 0.00 C ATOM 536 O GLU A 35 -10.950 3.313 -6.028 1.00 0.00 O ATOM 537 CB GLU A 35 -12.180 0.503 -4.344 1.00 0.00 C ATOM 538 CG GLU A 35 -13.218 0.408 -5.463 1.00 0.00 C ATOM 539 CD GLU A 35 -13.076 -0.938 -6.178 1.00 0.00 C ATOM 540 OE1 GLU A 35 -12.064 -1.136 -6.828 1.00 0.00 O ATOM 541 OE2 GLU A 35 -13.983 -1.746 -6.063 1.00 0.00 O ATOM 0 H GLU A 35 -10.079 0.668 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.652 0.832 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.915 -0.494 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.596 1.041 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.222 0.509 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.080 1.225 -6.172 1.00 0.00 H new ATOM 548 N GLN A 36 -11.838 3.319 -4.019 1.00 0.00 N ATOM 549 CA GLN A 36 -12.180 4.768 -4.113 1.00 0.00 C ATOM 550 C GLN A 36 -11.045 5.533 -4.798 1.00 0.00 C ATOM 551 O GLN A 36 -11.231 6.151 -5.827 1.00 0.00 O ATOM 552 CB GLN A 36 -12.399 5.333 -2.708 1.00 0.00 C ATOM 553 CG GLN A 36 -13.824 5.021 -2.248 1.00 0.00 C ATOM 554 CD GLN A 36 -14.790 6.048 -2.842 1.00 0.00 C ATOM 555 OE1 GLN A 36 -15.480 5.767 -3.802 1.00 0.00 O ATOM 556 NE2 GLN A 36 -14.869 7.237 -2.308 1.00 0.00 N ATOM 0 H GLN A 36 -12.105 2.868 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.091 4.881 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.679 4.900 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.233 6.410 -2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.107 4.016 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.879 5.042 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.290 7.474 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.510 7.929 -2.697 1.00 0.00 H new ATOM 565 N ARG A 37 -9.874 5.501 -4.230 1.00 0.00 N ATOM 566 CA ARG A 37 -8.726 6.230 -4.836 1.00 0.00 C ATOM 567 C ARG A 37 -8.426 5.689 -6.244 1.00 0.00 C ATOM 568 O ARG A 37 -8.232 6.450 -7.169 1.00 0.00 O ATOM 569 CB ARG A 37 -7.497 6.068 -3.941 1.00 0.00 C ATOM 570 CG ARG A 37 -7.536 7.114 -2.824 1.00 0.00 C ATOM 571 CD ARG A 37 -6.141 7.260 -2.210 1.00 0.00 C ATOM 572 NE ARG A 37 -5.990 8.628 -1.638 1.00 0.00 N ATOM 573 CZ ARG A 37 -5.017 8.888 -0.806 1.00 0.00 C ATOM 574 NH1 ARG A 37 -4.176 7.948 -0.465 1.00 0.00 N ATOM 575 NH2 ARG A 37 -4.885 10.089 -0.312 1.00 0.00 N ATOM 0 H ARG A 37 -9.661 4.999 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.980 7.287 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.475 5.065 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.587 6.184 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.872 8.072 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.252 6.817 -2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.994 6.511 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.378 7.085 -2.969 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.648 9.363 -1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.278 7.008 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.417 8.154 0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.541 10.824 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.125 10.293 0.338 1.00 0.00 H new ATOM 589 N ALA A 38 -8.378 4.391 -6.434 1.00 0.00 N ATOM 590 CA ALA A 38 -8.081 3.873 -7.804 1.00 0.00 C ATOM 591 C ALA A 38 -9.252 4.178 -8.740 1.00 0.00 C ATOM 592 O ALA A 38 -9.183 3.946 -9.930 1.00 0.00 O ATOM 593 CB ALA A 38 -7.852 2.361 -7.757 1.00 0.00 C ATOM 0 H ALA A 38 -8.528 3.683 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.180 4.362 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.636 1.994 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.009 2.141 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.747 1.869 -7.375 1.00 0.00 H new ATOM 599 N ALA A 39 -10.329 4.692 -8.215 1.00 0.00 N ATOM 600 CA ALA A 39 -11.501 5.007 -9.078 1.00 0.00 C ATOM 601 C ALA A 39 -12.026 6.403 -8.737 1.00 0.00 C ATOM 602 O ALA A 39 -11.692 7.377 -9.381 1.00 0.00 O ATOM 603 CB ALA A 39 -12.604 3.974 -8.835 1.00 0.00 C ATOM 0 H ALA A 39 -10.448 4.908 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.200 4.979 -10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.463 4.203 -9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.231 2.979 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.905 4.003 -7.788 1.00 0.00 H new ATOM 609 N ARG A 40 -12.847 6.509 -7.727 1.00 0.00 N ATOM 610 CA ARG A 40 -13.392 7.843 -7.349 1.00 0.00 C ATOM 611 C ARG A 40 -12.354 8.602 -6.520 1.00 0.00 C ATOM 612 O ARG A 40 -12.104 8.282 -5.376 1.00 0.00 O ATOM 613 CB ARG A 40 -14.668 7.657 -6.526 1.00 0.00 C ATOM 614 CG ARG A 40 -15.757 7.045 -7.409 1.00 0.00 C ATOM 615 CD ARG A 40 -17.079 7.009 -6.639 1.00 0.00 C ATOM 616 NE ARG A 40 -17.778 8.316 -6.789 1.00 0.00 N ATOM 617 CZ ARG A 40 -19.043 8.423 -6.482 1.00 0.00 C ATOM 618 NH1 ARG A 40 -19.702 7.385 -6.041 1.00 0.00 N ATOM 619 NH2 ARG A 40 -19.649 9.571 -6.615 1.00 0.00 N ATOM 0 H ARG A 40 -13.163 5.730 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.621 8.411 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.471 7.010 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.002 8.616 -6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.871 7.630 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.472 6.037 -7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.709 6.203 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.893 6.803 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.267 9.129 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.229 6.488 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.690 7.472 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.135 10.382 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.637 9.657 -6.376 1.00 0.00 H new ATOM 633 N ILE A 41 -11.748 9.606 -7.092 1.00 0.00 N ATOM 634 CA ILE A 41 -10.726 10.387 -6.341 1.00 0.00 C ATOM 635 C ILE A 41 -11.195 11.838 -6.201 1.00 0.00 C ATOM 636 O ILE A 41 -12.015 12.311 -6.962 1.00 0.00 O ATOM 637 CB ILE A 41 -9.403 10.354 -7.105 1.00 0.00 C ATOM 638 CG1 ILE A 41 -8.928 8.908 -7.240 1.00 0.00 C ATOM 639 CG2 ILE A 41 -8.353 11.159 -6.342 1.00 0.00 C ATOM 640 CD1 ILE A 41 -8.475 8.647 -8.678 1.00 0.00 C ATOM 0 H ILE A 41 -11.917 9.919 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.589 9.952 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.547 10.786 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.106 8.719 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.733 8.224 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.409 11.135 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.688 12.191 -6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.211 10.726 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.137 7.615 -8.771 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.309 8.819 -9.359 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.656 9.321 -8.930 1.00 0.00 H new ATOM 652 N SER A 42 -10.679 12.547 -5.235 1.00 0.00 N ATOM 653 CA SER A 42 -11.092 13.966 -5.049 1.00 0.00 C ATOM 654 C SER A 42 -10.401 14.840 -6.098 1.00 0.00 C ATOM 655 O SER A 42 -11.019 15.670 -6.737 1.00 0.00 O ATOM 656 CB SER A 42 -10.690 14.434 -3.651 1.00 0.00 C ATOM 657 OG SER A 42 -9.630 13.618 -3.171 1.00 0.00 O ATOM 0 H SER A 42 -9.989 12.205 -4.566 1.00 0.00 H new ATOM 0 HA SER A 42 -12.173 14.048 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.377 15.478 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.544 14.376 -2.976 1.00 0.00 H new ATOM 0 HG SER A 42 -9.368 13.916 -2.275 1.00 0.00 H new ATOM 663 N LEU A 43 -9.122 14.657 -6.284 1.00 0.00 N ATOM 664 CA LEU A 43 -8.388 15.474 -7.293 1.00 0.00 C ATOM 665 C LEU A 43 -7.063 14.788 -7.629 1.00 0.00 C ATOM 666 O LEU A 43 -6.033 15.423 -7.739 1.00 0.00 O ATOM 667 CB LEU A 43 -8.112 16.866 -6.721 1.00 0.00 C ATOM 668 CG LEU A 43 -7.847 16.756 -5.218 1.00 0.00 C ATOM 669 CD1 LEU A 43 -6.518 16.035 -4.986 1.00 0.00 C ATOM 670 CD2 LEU A 43 -7.779 18.159 -4.610 1.00 0.00 C ATOM 0 H LEU A 43 -8.553 13.977 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.991 15.568 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.253 17.313 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.963 17.522 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.652 16.193 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.329 15.956 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.565 15.036 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.712 16.598 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.590 18.083 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.973 18.721 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.725 18.674 -4.776 1.00 0.00 H new ATOM 682 N GLY A 44 -7.084 13.492 -7.793 1.00 0.00 N ATOM 683 CA GLY A 44 -5.829 12.757 -8.122 1.00 0.00 C ATOM 684 C GLY A 44 -4.679 13.298 -7.270 1.00 0.00 C ATOM 685 O GLY A 44 -3.718 13.834 -7.788 1.00 0.00 O ATOM 0 H GLY A 44 -7.918 12.910 -7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.961 11.691 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.596 12.871 -9.181 1.00 0.00 H new ATOM 689 N PRO A 45 -4.782 13.153 -5.977 1.00 0.00 N ATOM 690 CA PRO A 45 -3.736 13.629 -5.021 1.00 0.00 C ATOM 691 C PRO A 45 -2.379 13.028 -5.399 1.00 0.00 C ATOM 692 O PRO A 45 -1.482 13.723 -5.833 1.00 0.00 O ATOM 693 CB PRO A 45 -4.191 13.091 -3.668 1.00 0.00 C ATOM 694 CG PRO A 45 -5.554 12.431 -3.839 1.00 0.00 C ATOM 695 CD PRO A 45 -5.951 12.499 -5.315 1.00 0.00 C ATOM 0 HA PRO A 45 -3.622 14.713 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.468 12.371 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.251 13.900 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.516 11.394 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.298 12.937 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.137 11.506 -5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.864 13.077 -5.456 1.00 0.00 H new ATOM 703 N ARG A 46 -2.224 11.741 -5.243 1.00 0.00 N ATOM 704 CA ARG A 46 -0.925 11.103 -5.598 1.00 0.00 C ATOM 705 C ARG A 46 -0.992 9.600 -5.319 1.00 0.00 C ATOM 706 O ARG A 46 -0.682 8.779 -6.177 1.00 0.00 O ATOM 707 CB ARG A 46 0.190 11.726 -4.756 1.00 0.00 C ATOM 708 CG ARG A 46 1.487 11.754 -5.568 1.00 0.00 C ATOM 709 CD ARG A 46 1.814 13.196 -5.958 1.00 0.00 C ATOM 710 NE ARG A 46 1.845 13.313 -7.443 1.00 0.00 N ATOM 711 CZ ARG A 46 1.813 14.489 -8.009 1.00 0.00 C ATOM 712 NH1 ARG A 46 1.753 15.570 -7.278 1.00 0.00 N ATOM 713 NH2 ARG A 46 1.841 14.586 -9.311 1.00 0.00 N ATOM 0 H ARG A 46 -2.938 11.106 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.721 11.263 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.087 12.737 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.334 11.152 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.304 11.330 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.382 11.139 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.068 13.874 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.777 13.488 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 46 1.891 12.472 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.731 15.497 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.728 16.487 -7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.888 13.744 -9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.816 15.504 -9.755 1.00 0.00 H new ATOM 727 N CYS A 47 -1.380 9.223 -4.125 1.00 0.00 N ATOM 728 CA CYS A 47 -1.445 7.773 -3.809 1.00 0.00 C ATOM 729 C CYS A 47 -2.410 7.096 -4.759 1.00 0.00 C ATOM 730 O CYS A 47 -2.251 5.949 -5.100 1.00 0.00 O ATOM 731 CB CYS A 47 -1.900 7.527 -2.355 1.00 0.00 C ATOM 732 SG CYS A 47 -0.960 8.585 -1.237 1.00 0.00 S ATOM 0 H CYS A 47 -1.650 9.851 -3.368 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.444 7.357 -3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.966 7.734 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.753 6.480 -2.090 1.00 0.00 H new ATOM 737 N ILE A 48 -3.419 7.773 -5.194 1.00 0.00 N ATOM 738 CA ILE A 48 -4.357 7.105 -6.108 1.00 0.00 C ATOM 739 C ILE A 48 -3.617 6.680 -7.384 1.00 0.00 C ATOM 740 O ILE A 48 -3.660 5.543 -7.753 1.00 0.00 O ATOM 741 CB ILE A 48 -5.549 8.027 -6.427 1.00 0.00 C ATOM 742 CG1 ILE A 48 -5.134 9.188 -7.345 1.00 0.00 C ATOM 743 CG2 ILE A 48 -6.110 8.605 -5.127 1.00 0.00 C ATOM 744 CD1 ILE A 48 -4.203 10.144 -6.594 1.00 0.00 C ATOM 0 H ILE A 48 -3.632 8.743 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.756 6.211 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.304 7.431 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.632 8.800 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.018 9.724 -7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.953 9.257 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.443 7.792 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.334 9.178 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.914 10.963 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.719 10.544 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.311 9.606 -6.272 1.00 0.00 H new ATOM 756 N LYS A 49 -2.931 7.565 -8.056 1.00 0.00 N ATOM 757 CA LYS A 49 -2.212 7.155 -9.303 1.00 0.00 C ATOM 758 C LYS A 49 -1.123 6.125 -8.976 1.00 0.00 C ATOM 759 O LYS A 49 -1.153 4.985 -9.445 1.00 0.00 O ATOM 760 CB LYS A 49 -1.569 8.385 -9.944 1.00 0.00 C ATOM 761 CG LYS A 49 -2.482 8.919 -11.050 1.00 0.00 C ATOM 762 CD LYS A 49 -1.750 10.007 -11.838 1.00 0.00 C ATOM 763 CE LYS A 49 -2.469 10.246 -13.167 1.00 0.00 C ATOM 764 NZ LYS A 49 -1.704 9.596 -14.269 1.00 0.00 N ATOM 0 H LYS A 49 -2.836 8.548 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.927 6.707 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.402 9.156 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.594 8.126 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.775 8.108 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.397 9.323 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.717 10.930 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.718 9.707 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.480 9.841 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.562 11.316 -13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.192 9.758 -15.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.748 10.002 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.638 8.574 -14.090 1.00 0.00 H new ATOM 778 N ALA A 50 -0.161 6.509 -8.173 1.00 0.00 N ATOM 779 CA ALA A 50 0.923 5.552 -7.814 1.00 0.00 C ATOM 780 C ALA A 50 0.296 4.276 -7.327 1.00 0.00 C ATOM 781 O ALA A 50 0.481 3.198 -7.865 1.00 0.00 O ATOM 782 CB ALA A 50 1.746 6.100 -6.653 1.00 0.00 C ATOM 0 H ALA A 50 -0.082 7.436 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 50 1.551 5.394 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.535 5.392 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.192 7.052 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.100 6.248 -5.787 1.00 0.00 H new ATOM 788 N PHE A 51 -0.407 4.405 -6.259 1.00 0.00 N ATOM 789 CA PHE A 51 -1.022 3.237 -5.639 1.00 0.00 C ATOM 790 C PHE A 51 -2.132 2.652 -6.529 1.00 0.00 C ATOM 791 O PHE A 51 -2.679 1.614 -6.237 1.00 0.00 O ATOM 792 CB PHE A 51 -1.512 3.643 -4.238 1.00 0.00 C ATOM 793 CG PHE A 51 -3.017 3.604 -4.055 1.00 0.00 C ATOM 794 CD1 PHE A 51 -3.892 4.000 -5.063 1.00 0.00 C ATOM 795 CD2 PHE A 51 -3.530 3.156 -2.837 1.00 0.00 C ATOM 796 CE1 PHE A 51 -5.271 3.937 -4.859 1.00 0.00 C ATOM 797 CE2 PHE A 51 -4.907 3.101 -2.629 1.00 0.00 C ATOM 798 CZ PHE A 51 -5.776 3.488 -3.642 1.00 0.00 C ATOM 0 H PHE A 51 -0.583 5.290 -5.783 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.295 2.432 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.053 2.982 -3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.160 4.652 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.503 4.357 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.856 2.850 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.947 4.237 -5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.298 2.758 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.843 3.440 -3.485 1.00 0.00 H new ATOM 808 N THR A 52 -2.481 3.310 -7.608 1.00 0.00 N ATOM 809 CA THR A 52 -3.545 2.754 -8.500 1.00 0.00 C ATOM 810 C THR A 52 -2.900 1.635 -9.293 1.00 0.00 C ATOM 811 O THR A 52 -3.411 0.539 -9.375 1.00 0.00 O ATOM 812 CB THR A 52 -4.083 3.833 -9.468 1.00 0.00 C ATOM 813 OG1 THR A 52 -5.260 4.407 -8.914 1.00 0.00 O ATOM 814 CG2 THR A 52 -4.418 3.228 -10.842 1.00 0.00 C ATOM 0 H THR A 52 -2.080 4.199 -7.907 1.00 0.00 H new ATOM 0 HA THR A 52 -4.389 2.400 -7.908 1.00 0.00 H new ATOM 0 HB THR A 52 -3.313 4.592 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.039 4.860 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.794 4.010 -11.502 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.519 2.789 -11.275 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.178 2.456 -10.724 1.00 0.00 H new ATOM 822 N GLU A 53 -1.769 1.907 -9.874 1.00 0.00 N ATOM 823 CA GLU A 53 -1.083 0.843 -10.655 1.00 0.00 C ATOM 824 C GLU A 53 -0.462 -0.158 -9.681 1.00 0.00 C ATOM 825 O GLU A 53 -0.333 -1.329 -9.975 1.00 0.00 O ATOM 826 CB GLU A 53 0.007 1.469 -11.524 1.00 0.00 C ATOM 827 CG GLU A 53 -0.431 2.864 -11.974 1.00 0.00 C ATOM 828 CD GLU A 53 -0.161 3.028 -13.469 1.00 0.00 C ATOM 829 OE1 GLU A 53 -0.775 2.312 -14.244 1.00 0.00 O ATOM 830 OE2 GLU A 53 0.654 3.867 -13.816 1.00 0.00 O ATOM 0 H GLU A 53 -1.293 2.809 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.798 0.332 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.940 1.533 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.199 0.840 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.492 3.007 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.109 3.625 -11.411 1.00 0.00 H new ATOM 837 N CYS A 54 -0.075 0.303 -8.522 1.00 0.00 N ATOM 838 CA CYS A 54 0.550 -0.601 -7.512 1.00 0.00 C ATOM 839 C CYS A 54 -0.519 -1.465 -6.828 1.00 0.00 C ATOM 840 O CYS A 54 -0.323 -2.643 -6.582 1.00 0.00 O ATOM 841 CB CYS A 54 1.275 0.276 -6.485 1.00 0.00 C ATOM 842 SG CYS A 54 1.504 -0.603 -4.915 1.00 0.00 S ATOM 0 H CYS A 54 -0.166 1.276 -8.229 1.00 0.00 H new ATOM 0 HA CYS A 54 1.256 -1.277 -7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.245 0.577 -6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.703 1.188 -6.314 1.00 0.00 H new ATOM 847 N CYS A 55 -1.640 -0.893 -6.514 1.00 0.00 N ATOM 848 CA CYS A 55 -2.711 -1.675 -5.843 1.00 0.00 C ATOM 849 C CYS A 55 -3.385 -2.577 -6.876 1.00 0.00 C ATOM 850 O CYS A 55 -3.703 -3.719 -6.605 1.00 0.00 O ATOM 851 CB CYS A 55 -3.749 -0.736 -5.215 1.00 0.00 C ATOM 852 SG CYS A 55 -4.754 -1.686 -4.056 1.00 0.00 S ATOM 0 H CYS A 55 -1.864 0.086 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.272 -2.280 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.253 0.087 -4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.378 -0.295 -5.988 1.00 0.00 H new ATOM 857 N VAL A 56 -3.588 -2.079 -8.065 1.00 0.00 N ATOM 858 CA VAL A 56 -4.222 -2.917 -9.116 1.00 0.00 C ATOM 859 C VAL A 56 -3.282 -4.075 -9.442 1.00 0.00 C ATOM 860 O VAL A 56 -3.676 -5.220 -9.444 1.00 0.00 O ATOM 861 CB VAL A 56 -4.481 -2.082 -10.372 1.00 0.00 C ATOM 862 CG1 VAL A 56 -5.420 -0.924 -10.029 1.00 0.00 C ATOM 863 CG2 VAL A 56 -3.159 -1.525 -10.903 1.00 0.00 C ATOM 0 H VAL A 56 -3.343 -1.131 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.177 -3.301 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.940 -2.711 -11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.605 -0.329 -10.923 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.364 -1.320 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.961 -0.297 -9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.347 -0.931 -11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.697 -0.897 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.490 -2.349 -11.149 1.00 0.00 H new ATOM 873 N VAL A 57 -2.030 -3.797 -9.700 1.00 0.00 N ATOM 874 CA VAL A 57 -1.090 -4.915 -9.997 1.00 0.00 C ATOM 875 C VAL A 57 -1.124 -5.902 -8.830 1.00 0.00 C ATOM 876 O VAL A 57 -1.294 -7.091 -9.012 1.00 0.00 O ATOM 877 CB VAL A 57 0.335 -4.381 -10.161 1.00 0.00 C ATOM 878 CG1 VAL A 57 0.671 -3.455 -8.993 1.00 0.00 C ATOM 879 CG2 VAL A 57 1.317 -5.556 -10.170 1.00 0.00 C ATOM 0 H VAL A 57 -1.625 -2.861 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.391 -5.406 -10.923 1.00 0.00 H new ATOM 0 HB VAL A 57 0.411 -3.829 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.686 -3.075 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.030 -2.620 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.597 -4.008 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.333 -5.180 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.238 -6.103 -9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.079 -6.222 -10.999 1.00 0.00 H new ATOM 889 N ALA A 58 -0.965 -5.415 -7.628 1.00 0.00 N ATOM 890 CA ALA A 58 -0.984 -6.322 -6.446 1.00 0.00 C ATOM 891 C ALA A 58 -2.182 -7.269 -6.530 1.00 0.00 C ATOM 892 O ALA A 58 -2.037 -8.474 -6.482 1.00 0.00 O ATOM 893 CB ALA A 58 -1.083 -5.487 -5.167 1.00 0.00 C ATOM 0 H ALA A 58 -0.823 -4.428 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.066 -6.910 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.097 -6.149 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.223 -4.820 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.999 -4.897 -5.188 1.00 0.00 H new ATOM 899 N SER A 59 -3.365 -6.734 -6.645 1.00 0.00 N ATOM 900 CA SER A 59 -4.577 -7.604 -6.720 1.00 0.00 C ATOM 901 C SER A 59 -4.585 -8.380 -8.035 1.00 0.00 C ATOM 902 O SER A 59 -4.409 -9.583 -8.058 1.00 0.00 O ATOM 903 CB SER A 59 -5.838 -6.742 -6.666 1.00 0.00 C ATOM 904 OG SER A 59 -5.484 -5.397 -6.373 1.00 0.00 O ATOM 0 H SER A 59 -3.548 -5.732 -6.691 1.00 0.00 H new ATOM 0 HA SER A 59 -4.556 -8.296 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.365 -6.791 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.519 -7.123 -5.905 1.00 0.00 H new ATOM 0 HG SER A 59 -5.005 -5.011 -7.136 1.00 0.00 H new ATOM 910 N GLN A 60 -4.819 -7.685 -9.120 1.00 0.00 N ATOM 911 CA GLN A 60 -4.877 -8.334 -10.464 1.00 0.00 C ATOM 912 C GLN A 60 -3.978 -9.567 -10.510 1.00 0.00 C ATOM 913 O GLN A 60 -4.443 -10.662 -10.761 1.00 0.00 O ATOM 914 CB GLN A 60 -4.436 -7.332 -11.533 1.00 0.00 C ATOM 915 CG GLN A 60 -5.066 -7.706 -12.875 1.00 0.00 C ATOM 916 CD GLN A 60 -5.755 -6.478 -13.474 1.00 0.00 C ATOM 917 OE1 GLN A 60 -6.137 -5.573 -12.758 1.00 0.00 O ATOM 918 NE2 GLN A 60 -5.932 -6.407 -14.765 1.00 0.00 N ATOM 0 H GLN A 60 -4.975 -6.677 -9.130 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.903 -8.649 -10.656 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.736 -6.324 -11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.349 -7.329 -11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.301 -8.076 -13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.788 -8.511 -12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.612 -7.166 -15.366 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.391 -5.592 -15.173 1.00 0.00 H new ATOM 927 N LEU A 61 -2.704 -9.427 -10.264 1.00 0.00 N ATOM 928 CA LEU A 61 -1.843 -10.639 -10.299 1.00 0.00 C ATOM 929 C LEU A 61 -2.221 -11.525 -9.133 1.00 0.00 C ATOM 930 O LEU A 61 -2.461 -12.696 -9.304 1.00 0.00 O ATOM 931 CB LEU A 61 -0.352 -10.319 -10.176 1.00 0.00 C ATOM 932 CG LEU A 61 0.049 -9.009 -10.848 1.00 0.00 C ATOM 933 CD1 LEU A 61 1.460 -9.157 -11.422 1.00 0.00 C ATOM 934 CD2 LEU A 61 -0.912 -8.636 -11.983 1.00 0.00 C ATOM 0 H LEU A 61 -2.233 -8.549 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.003 -11.122 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.085 -10.273 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.223 -11.134 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 61 0.013 -8.218 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.756 -8.226 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.158 -9.386 -10.617 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.472 -9.965 -12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.593 -7.698 -12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.908 -9.423 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.920 -8.522 -11.584 1.00 0.00 H new ATOM 946 N ARG A 62 -2.249 -10.985 -7.941 1.00 0.00 N ATOM 947 CA ARG A 62 -2.591 -11.818 -6.746 1.00 0.00 C ATOM 948 C ARG A 62 -3.600 -12.895 -7.140 1.00 0.00 C ATOM 949 O ARG A 62 -3.492 -14.036 -6.739 1.00 0.00 O ATOM 950 CB ARG A 62 -3.181 -10.938 -5.643 1.00 0.00 C ATOM 951 CG ARG A 62 -2.158 -10.773 -4.519 1.00 0.00 C ATOM 952 CD ARG A 62 -2.725 -9.848 -3.444 1.00 0.00 C ATOM 953 NE ARG A 62 -1.715 -8.798 -3.105 1.00 0.00 N ATOM 954 CZ ARG A 62 -0.473 -9.113 -2.842 1.00 0.00 C ATOM 955 NH1 ARG A 62 -0.122 -10.362 -2.672 1.00 0.00 N ATOM 956 NH2 ARG A 62 0.414 -8.167 -2.690 1.00 0.00 N ATOM 0 H ARG A 62 -2.050 -10.004 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.683 -12.292 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.453 -9.963 -6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.095 -11.388 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.917 -11.744 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.230 -10.361 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.644 -9.382 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.981 -10.422 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.000 -7.819 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.820 -11.102 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.850 -10.595 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.137 -7.189 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.384 -8.406 -2.485 1.00 0.00 H new ATOM 970 N ALA A 63 -4.557 -12.555 -7.958 1.00 0.00 N ATOM 971 CA ALA A 63 -5.528 -13.585 -8.404 1.00 0.00 C ATOM 972 C ALA A 63 -4.731 -14.678 -9.114 1.00 0.00 C ATOM 973 O ALA A 63 -4.742 -15.828 -8.721 1.00 0.00 O ATOM 974 CB ALA A 63 -6.535 -12.964 -9.375 1.00 0.00 C ATOM 0 H ALA A 63 -4.706 -11.618 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.078 -13.993 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.245 -13.725 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.071 -12.156 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.007 -12.568 -10.242 1.00 0.00 H new ATOM 980 N ASN A 64 -4.018 -14.316 -10.149 1.00 0.00 N ATOM 981 CA ASN A 64 -3.192 -15.322 -10.879 1.00 0.00 C ATOM 982 C ASN A 64 -1.799 -14.739 -11.175 1.00 0.00 C ATOM 983 O ASN A 64 -1.411 -14.602 -12.318 1.00 0.00 O ATOM 984 CB ASN A 64 -3.881 -15.683 -12.197 1.00 0.00 C ATOM 985 CG ASN A 64 -4.564 -17.045 -12.061 1.00 0.00 C ATOM 986 OD1 ASN A 64 -5.379 -17.243 -11.182 1.00 0.00 O ATOM 987 ND2 ASN A 64 -4.265 -17.998 -12.901 1.00 0.00 N ATOM 0 H ASN A 64 -3.972 -13.367 -10.520 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.084 -16.214 -10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.616 -14.920 -12.456 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.151 -15.710 -13.006 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.716 -18.909 -12.820 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.581 -17.831 -13.639 1.00 0.00 H new ATOM 994 N ILE A 65 -1.040 -14.392 -10.160 1.00 0.00 N ATOM 995 CA ILE A 65 0.326 -13.819 -10.421 1.00 0.00 C ATOM 996 C ILE A 65 1.146 -14.834 -11.218 1.00 0.00 C ATOM 997 O ILE A 65 1.706 -15.762 -10.670 1.00 0.00 O ATOM 998 CB ILE A 65 1.074 -13.494 -9.106 1.00 0.00 C ATOM 999 CG1 ILE A 65 0.108 -13.510 -7.924 1.00 0.00 C ATOM 1000 CG2 ILE A 65 1.708 -12.098 -9.198 1.00 0.00 C ATOM 1001 CD1 ILE A 65 0.807 -12.957 -6.680 1.00 0.00 C ATOM 0 H ILE A 65 -1.299 -14.478 -9.177 1.00 0.00 H new ATOM 0 HA ILE A 65 0.202 -12.891 -10.979 1.00 0.00 H new ATOM 0 HB ILE A 65 1.846 -14.249 -8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.773 -12.912 -8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.237 -14.527 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.233 -11.875 -8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.413 -12.073 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.928 -11.354 -9.361 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.115 -12.970 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.675 -13.574 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.130 -11.933 -6.869 1.00 0.00 H new ATOM 1013 N SER A 66 1.219 -14.667 -12.511 1.00 0.00 N ATOM 1014 CA SER A 66 2.000 -15.624 -13.343 1.00 0.00 C ATOM 1015 C SER A 66 1.938 -15.191 -14.808 1.00 0.00 C ATOM 1016 O SER A 66 2.884 -15.351 -15.555 1.00 0.00 O ATOM 1017 CB SER A 66 1.409 -17.027 -13.198 1.00 0.00 C ATOM 1018 OG SER A 66 0.449 -17.240 -14.224 1.00 0.00 O ATOM 0 H SER A 66 0.771 -13.909 -13.026 1.00 0.00 H new ATOM 0 HA SER A 66 3.038 -15.633 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.199 -17.775 -13.262 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.943 -17.138 -12.219 1.00 0.00 H new ATOM 0 HG SER A 66 0.069 -18.139 -14.135 1.00 0.00 H new ATOM 1024 N HIS A 67 0.830 -14.644 -15.227 1.00 0.00 N ATOM 1025 CA HIS A 67 0.706 -14.201 -16.644 1.00 0.00 C ATOM 1026 C HIS A 67 1.653 -13.026 -16.895 1.00 0.00 C ATOM 1027 O HIS A 67 2.797 -13.206 -17.264 1.00 0.00 O ATOM 1028 CB HIS A 67 -0.736 -13.762 -16.916 1.00 0.00 C ATOM 1029 CG HIS A 67 -0.821 -13.132 -18.279 1.00 0.00 C ATOM 1030 ND1 HIS A 67 -1.702 -12.100 -18.563 1.00 0.00 N ATOM 1031 CD2 HIS A 67 -0.142 -13.378 -19.447 1.00 0.00 C ATOM 1032 CE1 HIS A 67 -1.532 -11.767 -19.856 1.00 0.00 C ATOM 1033 NE2 HIS A 67 -0.593 -12.515 -20.441 1.00 0.00 N ATOM 0 H HIS A 67 0.005 -14.485 -14.649 1.00 0.00 H new ATOM 0 HA HIS A 67 0.966 -15.026 -17.308 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.405 -14.620 -16.858 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.061 -13.052 -16.155 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.625 -14.127 -19.575 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.087 -10.989 -20.359 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.275 -12.465 -21.409 1.00 0.00 H new ATOM 1041 N LYS A 68 1.187 -11.824 -16.696 1.00 0.00 N ATOM 1042 CA LYS A 68 2.061 -10.639 -16.921 1.00 0.00 C ATOM 1043 C LYS A 68 2.216 -9.864 -15.610 1.00 0.00 C ATOM 1044 O LYS A 68 1.504 -10.097 -14.654 1.00 0.00 O ATOM 1045 CB LYS A 68 1.428 -9.733 -17.979 1.00 0.00 C ATOM 1046 CG LYS A 68 2.237 -9.817 -19.276 1.00 0.00 C ATOM 1047 CD LYS A 68 1.381 -9.321 -20.444 1.00 0.00 C ATOM 1048 CE LYS A 68 2.271 -8.601 -21.459 1.00 0.00 C ATOM 1049 NZ LYS A 68 1.535 -8.450 -22.747 1.00 0.00 N ATOM 0 H LYS A 68 0.238 -11.611 -16.387 1.00 0.00 H new ATOM 0 HA LYS A 68 3.041 -10.969 -17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.397 -10.035 -18.161 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.400 -8.704 -17.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.142 -9.215 -19.193 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.554 -10.845 -19.454 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.874 -10.161 -20.920 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.606 -8.646 -20.080 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.559 -7.622 -21.076 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.190 -9.165 -21.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.140 -7.961 -23.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.281 -9.389 -23.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.670 -7.895 -22.589 1.00 0.00 H new ATOM 1063 N ASP A 69 3.143 -8.946 -15.557 1.00 0.00 N ATOM 1064 CA ASP A 69 3.341 -8.160 -14.305 1.00 0.00 C ATOM 1065 C ASP A 69 3.137 -6.671 -14.597 1.00 0.00 C ATOM 1066 O ASP A 69 3.657 -6.140 -15.557 1.00 0.00 O ATOM 1067 CB ASP A 69 4.760 -8.389 -13.779 1.00 0.00 C ATOM 1068 CG ASP A 69 4.746 -8.383 -12.249 1.00 0.00 C ATOM 1069 OD1 ASP A 69 4.085 -9.236 -11.680 1.00 0.00 O ATOM 1070 OD2 ASP A 69 5.396 -7.526 -11.674 1.00 0.00 O ATOM 0 H ASP A 69 3.771 -8.707 -16.325 1.00 0.00 H new ATOM 0 HA ASP A 69 2.619 -8.483 -13.555 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.146 -9.340 -14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.427 -7.610 -14.150 1.00 0.00 H new ATOM 1075 N MET A 70 2.380 -5.996 -13.775 1.00 0.00 N ATOM 1076 CA MET A 70 2.141 -4.543 -14.003 1.00 0.00 C ATOM 1077 C MET A 70 2.915 -3.726 -12.965 1.00 0.00 C ATOM 1078 O MET A 70 3.874 -4.194 -12.384 1.00 0.00 O ATOM 1079 CB MET A 70 0.646 -4.247 -13.875 1.00 0.00 C ATOM 1080 CG MET A 70 0.146 -3.568 -15.152 1.00 0.00 C ATOM 1081 SD MET A 70 -0.815 -4.750 -16.130 1.00 0.00 S ATOM 1082 CE MET A 70 -1.404 -3.582 -17.380 1.00 0.00 C ATOM 0 H MET A 70 1.917 -6.388 -12.955 1.00 0.00 H new ATOM 0 HA MET A 70 2.481 -4.272 -15.002 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.095 -5.172 -13.703 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.465 -3.604 -13.014 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.469 -2.704 -14.900 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.990 -3.199 -15.735 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.030 -4.107 -18.102 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.986 -2.796 -16.898 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.551 -3.139 -17.894 1.00 0.00 H new ATOM 1092 N CYS A 71 2.507 -2.509 -12.729 1.00 0.00 N ATOM 1093 CA CYS A 71 3.219 -1.661 -11.729 1.00 0.00 C ATOM 1094 C CYS A 71 3.469 -2.476 -10.459 1.00 0.00 C ATOM 1095 O CYS A 71 2.897 -3.546 -10.344 1.00 0.00 O ATOM 1096 CB CYS A 71 2.361 -0.431 -11.408 1.00 0.00 C ATOM 1097 SG CYS A 71 2.669 0.840 -12.662 1.00 0.00 S ATOM 1098 OXT CYS A 71 4.238 -2.022 -9.628 1.00 0.00 O ATOM 0 H CYS A 71 1.711 -2.064 -13.186 1.00 0.00 H new ATOM 0 HA CYS A 71 4.176 -1.333 -12.134 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.305 -0.701 -11.395 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.604 -0.050 -10.416 1.00 0.00 H new TER 1103 CYS A 71 ATOM 1104 N CYS B 72 2.736 4.299 -11.329 1.00 0.00 N ATOM 1105 CA CYS B 72 2.968 3.651 -10.005 1.00 0.00 C ATOM 1106 C CYS B 72 3.930 4.494 -9.176 1.00 0.00 C ATOM 1107 O CYS B 72 3.566 5.089 -8.182 1.00 0.00 O ATOM 1108 CB CYS B 72 3.594 2.270 -10.165 1.00 0.00 C ATOM 1109 SG CYS B 72 4.133 1.983 -11.873 1.00 0.00 S ATOM 0 HA CYS B 72 1.999 3.562 -9.515 1.00 0.00 H new ATOM 0 HB2 CYS B 72 4.446 2.175 -9.492 1.00 0.00 H new ATOM 0 HB3 CYS B 72 2.872 1.506 -9.876 1.00 0.00 H new ATOM 1116 N LEU B 73 5.174 4.522 -9.569 1.00 0.00 N ATOM 1117 CA LEU B 73 6.186 5.292 -8.802 1.00 0.00 C ATOM 1118 C LEU B 73 5.711 6.733 -8.595 1.00 0.00 C ATOM 1119 O LEU B 73 4.575 7.070 -8.867 1.00 0.00 O ATOM 1120 CB LEU B 73 7.513 5.297 -9.566 1.00 0.00 C ATOM 1121 CG LEU B 73 7.256 5.626 -11.037 1.00 0.00 C ATOM 1122 CD1 LEU B 73 7.745 7.044 -11.338 1.00 0.00 C ATOM 1123 CD2 LEU B 73 8.013 4.630 -11.920 1.00 0.00 C ATOM 0 H LEU B 73 5.532 4.041 -10.394 1.00 0.00 H new ATOM 0 HA LEU B 73 6.324 4.821 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU B 73 8.192 6.031 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU B 73 7.998 4.325 -9.480 1.00 0.00 H new ATOM 0 HG LEU B 73 6.188 5.559 -11.242 1.00 0.00 H new ATOM 0 HD11 LEU B 73 7.561 7.277 -12.387 1.00 0.00 H new ATOM 0 HD12 LEU B 73 7.209 7.755 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU B 73 8.813 7.112 -11.133 1.00 0.00 H new ATOM 0 HD21 LEU B 73 7.831 4.863 -12.969 1.00 0.00 H new ATOM 0 HD22 LEU B 73 9.081 4.699 -11.713 1.00 0.00 H new ATOM 0 HD23 LEU B 73 7.666 3.619 -11.707 1.00 0.00 H new ATOM 1135 N GLY B 74 6.576 7.587 -8.115 1.00 0.00 N ATOM 1136 CA GLY B 74 6.185 9.007 -7.887 1.00 0.00 C ATOM 1137 C GLY B 74 7.380 9.919 -8.163 1.00 0.00 C ATOM 1138 O GLY B 74 8.516 9.558 -7.926 1.00 0.00 O ATOM 0 H GLY B 74 7.540 7.360 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY B 74 5.353 9.274 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY B 74 5.843 9.140 -6.861 1.00 0.00 H new HETATM 1142 N DAR B 75 7.136 11.102 -8.658 1.00 0.00 N HETATM 1143 CA DAR B 75 8.261 12.035 -8.944 1.00 0.00 C HETATM 1144 CB DAR B 75 9.014 12.333 -7.644 1.00 0.00 C HETATM 1145 CG DAR B 75 10.499 12.537 -7.947 1.00 0.00 C HETATM 1146 CD DAR B 75 11.287 12.552 -6.638 1.00 0.00 C HETATM 1147 NE DAR B 75 12.168 13.762 -6.598 1.00 0.00 N HETATM 1148 CZ DAR B 75 12.941 14.070 -7.608 1.00 0.00 C HETATM 1149 NH1 DAR B 75 13.591 15.203 -7.601 1.00 0.00 N HETATM 1150 NH2 DAR B 75 13.115 13.231 -8.596 1.00 0.00 N HETATM 1151 C DAR B 75 7.708 13.340 -9.520 1.00 0.00 C HETATM 1152 O DAR B 75 7.808 13.523 -10.722 1.00 0.00 O HETATM 1153 OXT DAR B 75 7.192 14.134 -8.750 1.00 0.00 O HETATM 0 HH22 DAR B 75 13.720 13.482 -9.378 1.00 0.00 H new HETATM 0 HH21 DAR B 75 12.646 12.325 -8.585 1.00 0.00 H new HETATM 0 HH12 DAR B 75 14.195 15.449 -8.385 1.00 0.00 H new HETATM 0 HH11 DAR B 75 13.494 15.842 -6.811 1.00 0.00 H new HETATM 0 HG3 DAR B 75 10.862 11.739 -8.594 1.00 0.00 H new HETATM 0 HG2 DAR B 75 10.646 13.474 -8.484 1.00 0.00 H new HETATM 0 HE DAR B 75 12.166 14.357 -5.769 1.00 0.00 H new HETATM 0 HD3 DAR B 75 10.603 12.559 -5.790 1.00 0.00 H new HETATM 0 HD2 DAR B 75 11.890 11.648 -6.554 1.00 0.00 H new HETATM 0 HB3 DAR B 75 8.603 13.225 -7.170 1.00 0.00 H new HETATM 0 HB2 DAR B 75 8.886 11.510 -6.941 1.00 0.00 H new HETATM 0 HA DAR B 75 8.939 11.578 -9.665 1.00 0.00 H new TER 1167 DAR B 75