USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 22 ASN : amide:sc= -1.87 K(o=-0.84,f=-5!) USER MOD Set 1.2: A 46 ASN : amide:sc= 1.03 K(o=-0.84,f=-2.4) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -0.988 K(o=-2,f=-0.4) USER MOD Set 2.2: A 35 GLN : amide:sc= -1.04 K(o=-2,f=-0.4) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.05) USER MOD Single : A 5 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.06) USER MOD Single : A 6 HIS : no HD1:sc= -3.08 X(o=-3.1,f=-3.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.924 K(o=0.92,f=-5.3!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00182 USER MOD Single : A 25 MET CE :methyl 160:sc= -0.121 (180deg=-0.617) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.135 USER MOD Single : A 39 SER OG : rot 71:sc= 1.2 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -71:sc= -1.21 USER MOD Single : A 47 ASN : amide:sc= -0.626 K(o=-0.63,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0628 (180deg=-0.407) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00282 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.71! C(o=-3.7!,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.548 14.729 2.162 1.00 0.00 N ATOM 2 CA LEU A 1 4.516 13.369 2.679 1.00 0.00 C ATOM 3 C LEU A 1 5.659 12.558 2.179 1.00 0.00 C ATOM 4 O LEU A 1 5.926 12.509 0.993 1.00 0.00 O ATOM 5 CB LEU A 1 3.214 12.659 2.334 1.00 0.00 C ATOM 6 CG LEU A 1 2.011 13.003 3.185 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.795 12.272 2.668 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.284 12.601 4.618 1.00 0.00 C ATOM 0 H1 LEU A 1 3.735 15.261 2.534 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.430 15.193 2.459 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.501 14.707 1.123 1.00 0.00 H new ATOM 0 HA LEU A 1 4.593 13.460 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.971 12.879 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.383 11.584 2.401 1.00 0.00 H new ATOM 0 HG LEU A 1 1.824 14.076 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.069 12.522 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.604 12.568 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.971 11.197 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.420 12.847 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.471 11.528 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.158 13.138 4.986 1.00 0.00 H new ATOM 22 N LYS A 2 6.374 11.983 3.086 1.00 0.00 N ATOM 23 CA LYS A 2 7.404 11.052 2.757 1.00 0.00 C ATOM 24 C LYS A 2 6.979 9.656 3.201 1.00 0.00 C ATOM 25 O LYS A 2 6.818 9.417 4.382 1.00 0.00 O ATOM 26 CB LYS A 2 8.767 11.505 3.321 1.00 0.00 C ATOM 27 CG LYS A 2 8.764 11.930 4.793 1.00 0.00 C ATOM 28 CD LYS A 2 10.135 12.449 5.201 1.00 0.00 C ATOM 29 CE LYS A 2 10.132 13.127 6.572 1.00 0.00 C ATOM 30 NZ LYS A 2 9.840 12.201 7.688 1.00 0.00 N ATOM 0 H LYS A 2 6.260 12.146 4.086 1.00 0.00 H new ATOM 0 HA LYS A 2 7.547 11.014 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.480 10.690 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.130 12.340 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.013 12.704 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.487 11.083 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.843 11.620 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.487 13.158 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.103 13.592 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.392 13.927 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.019 12.681 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.844 11.906 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.452 11.364 7.614 1.00 0.00 H new ATOM 44 N CYS A 3 6.764 8.756 2.265 1.00 0.00 N ATOM 45 CA CYS A 3 6.235 7.430 2.595 1.00 0.00 C ATOM 46 C CYS A 3 6.979 6.305 1.852 1.00 0.00 C ATOM 47 O CYS A 3 7.680 6.544 0.861 1.00 0.00 O ATOM 48 CB CYS A 3 4.716 7.380 2.338 1.00 0.00 C ATOM 49 SG CYS A 3 3.760 8.597 3.318 1.00 0.00 S ATOM 0 H CYS A 3 6.943 8.907 1.272 1.00 0.00 H new ATOM 0 HA CYS A 3 6.407 7.258 3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.530 7.555 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.351 6.378 2.565 1.00 0.00 H new ATOM 54 N PHE A 4 6.809 5.079 2.313 1.00 0.00 N ATOM 55 CA PHE A 4 7.543 3.934 1.788 1.00 0.00 C ATOM 56 C PHE A 4 6.911 3.412 0.508 1.00 0.00 C ATOM 57 O PHE A 4 6.069 2.521 0.548 1.00 0.00 O ATOM 58 CB PHE A 4 7.580 2.793 2.813 1.00 0.00 C ATOM 59 CG PHE A 4 8.166 3.157 4.140 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.517 3.057 4.354 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.359 3.584 5.175 1.00 0.00 C ATOM 62 CE1 PHE A 4 10.062 3.377 5.573 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.896 3.907 6.395 1.00 0.00 C ATOM 64 CZ PHE A 4 9.249 3.806 6.598 1.00 0.00 C ATOM 0 H PHE A 4 6.158 4.845 3.063 1.00 0.00 H new ATOM 0 HA PHE A 4 8.556 4.276 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.564 2.430 2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.153 1.966 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.160 2.722 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.293 3.665 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.128 3.292 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.253 4.241 7.196 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.674 4.062 7.557 1.00 0.00 H new ATOM 74 N GLN A 5 7.256 3.988 -0.617 1.00 0.00 N ATOM 75 CA GLN A 5 6.680 3.490 -1.870 1.00 0.00 C ATOM 76 C GLN A 5 7.413 2.247 -2.388 1.00 0.00 C ATOM 77 O GLN A 5 6.793 1.265 -2.793 1.00 0.00 O ATOM 78 CB GLN A 5 6.649 4.578 -2.949 1.00 0.00 C ATOM 79 CG GLN A 5 6.058 4.118 -4.283 1.00 0.00 C ATOM 80 CD GLN A 5 5.962 5.218 -5.325 1.00 0.00 C ATOM 81 OE1 GLN A 5 5.072 5.204 -6.166 1.00 0.00 O ATOM 82 NE2 GLN A 5 6.874 6.145 -5.309 1.00 0.00 N ATOM 0 H GLN A 5 7.904 4.770 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 5 5.653 3.202 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.070 5.424 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.665 4.936 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.669 3.307 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.063 3.710 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.603 6.131 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.860 6.886 -6.009 1.00 0.00 H new ATOM 91 N HIS A 6 8.719 2.267 -2.334 1.00 0.00 N ATOM 92 CA HIS A 6 9.502 1.137 -2.842 1.00 0.00 C ATOM 93 C HIS A 6 10.105 0.328 -1.704 1.00 0.00 C ATOM 94 O HIS A 6 11.047 -0.437 -1.888 1.00 0.00 O ATOM 95 CB HIS A 6 10.567 1.583 -3.890 1.00 0.00 C ATOM 96 CG HIS A 6 11.645 2.540 -3.421 1.00 0.00 C ATOM 97 ND1 HIS A 6 12.763 2.836 -4.160 1.00 0.00 N ATOM 98 CD2 HIS A 6 11.748 3.282 -2.296 1.00 0.00 C ATOM 99 CE1 HIS A 6 13.490 3.721 -3.485 1.00 0.00 C ATOM 100 NE2 HIS A 6 12.916 4.024 -2.342 1.00 0.00 N ATOM 0 H HIS A 6 9.270 3.035 -1.952 1.00 0.00 H new ATOM 0 HA HIS A 6 8.817 0.477 -3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.055 0.688 -4.277 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.044 2.047 -4.726 1.00 0.00 H new ATOM 0 HD2 HIS A 6 11.032 3.294 -1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.426 4.135 -3.829 1.00 0.00 H new ATOM 0 HE2 HIS A 6 13.260 4.673 -1.634 1.00 0.00 H new ATOM 108 N GLY A 7 9.541 0.495 -0.536 1.00 0.00 N ATOM 109 CA GLY A 7 10.052 -0.161 0.646 1.00 0.00 C ATOM 110 C GLY A 7 10.797 0.832 1.483 1.00 0.00 C ATOM 111 O GLY A 7 10.734 0.813 2.698 1.00 0.00 O ATOM 0 H GLY A 7 8.723 1.083 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.232 -0.593 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.711 -0.982 0.364 1.00 0.00 H new ATOM 115 N LYS A 8 11.497 1.697 0.811 1.00 0.00 N ATOM 116 CA LYS A 8 12.201 2.791 1.422 1.00 0.00 C ATOM 117 C LYS A 8 11.371 4.050 1.246 1.00 0.00 C ATOM 118 O LYS A 8 10.430 4.073 0.414 1.00 0.00 O ATOM 119 CB LYS A 8 13.580 2.952 0.796 1.00 0.00 C ATOM 120 CG LYS A 8 14.509 1.769 1.045 1.00 0.00 C ATOM 121 CD LYS A 8 15.823 1.911 0.292 1.00 0.00 C ATOM 122 CE LYS A 8 15.616 1.818 -1.212 1.00 0.00 C ATOM 123 NZ LYS A 8 16.872 1.999 -1.952 1.00 0.00 N ATOM 0 H LYS A 8 11.598 1.663 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 8 12.347 2.597 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.467 3.094 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.044 3.856 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.710 1.684 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.013 0.848 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.283 2.868 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.514 1.132 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.186 0.848 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.897 2.575 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.687 1.928 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.270 2.935 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.550 1.262 -1.671 1.00 0.00 H new ATOM 137 N VAL A 9 11.681 5.060 2.013 1.00 0.00 N ATOM 138 CA VAL A 9 10.928 6.299 2.008 1.00 0.00 C ATOM 139 C VAL A 9 11.197 7.104 0.741 1.00 0.00 C ATOM 140 O VAL A 9 12.344 7.261 0.325 1.00 0.00 O ATOM 141 CB VAL A 9 11.273 7.175 3.240 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.405 8.412 3.291 1.00 0.00 C ATOM 143 CG2 VAL A 9 11.132 6.393 4.517 1.00 0.00 C ATOM 0 H VAL A 9 12.466 5.053 2.665 1.00 0.00 H new ATOM 0 HA VAL A 9 9.874 6.025 2.046 1.00 0.00 H new ATOM 0 HB VAL A 9 12.312 7.486 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.670 9.007 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.561 9.004 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.357 8.119 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.380 7.032 5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.105 6.041 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.808 5.538 4.497 1.00 0.00 H new ATOM 153 N VAL A 10 10.137 7.565 0.127 1.00 0.00 N ATOM 154 CA VAL A 10 10.198 8.432 -1.020 1.00 0.00 C ATOM 155 C VAL A 10 9.356 9.651 -0.704 1.00 0.00 C ATOM 156 O VAL A 10 8.427 9.575 0.117 1.00 0.00 O ATOM 157 CB VAL A 10 9.655 7.766 -2.327 1.00 0.00 C ATOM 158 CG1 VAL A 10 10.357 6.455 -2.616 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.144 7.578 -2.288 1.00 0.00 C ATOM 0 H VAL A 10 9.185 7.342 0.419 1.00 0.00 H new ATOM 0 HA VAL A 10 11.243 8.679 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 10 9.876 8.452 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.954 6.021 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.425 6.634 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.197 5.766 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.811 7.112 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.878 6.939 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.659 8.548 -2.175 1.00 0.00 H new ATOM 169 N THR A 11 9.676 10.751 -1.281 1.00 0.00 N ATOM 170 CA THR A 11 8.903 11.923 -1.064 1.00 0.00 C ATOM 171 C THR A 11 7.758 11.990 -2.081 1.00 0.00 C ATOM 172 O THR A 11 7.984 11.977 -3.303 1.00 0.00 O ATOM 173 CB THR A 11 9.783 13.170 -1.165 1.00 0.00 C ATOM 174 OG1 THR A 11 10.940 12.980 -0.328 1.00 0.00 O ATOM 175 CG2 THR A 11 9.024 14.400 -0.687 1.00 0.00 C ATOM 0 H THR A 11 10.471 10.867 -1.910 1.00 0.00 H new ATOM 0 HA THR A 11 8.479 11.884 -0.060 1.00 0.00 H new ATOM 0 HB THR A 11 10.076 13.320 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.517 13.771 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.666 15.277 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.137 14.543 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.725 14.262 0.352 1.00 0.00 H new ATOM 183 N CYS A 12 6.558 12.016 -1.579 1.00 0.00 N ATOM 184 CA CYS A 12 5.375 12.153 -2.383 1.00 0.00 C ATOM 185 C CYS A 12 5.231 13.635 -2.706 1.00 0.00 C ATOM 186 O CYS A 12 5.578 14.485 -1.866 1.00 0.00 O ATOM 187 CB CYS A 12 4.159 11.683 -1.576 1.00 0.00 C ATOM 188 SG CYS A 12 4.363 10.050 -0.753 1.00 0.00 S ATOM 0 H CYS A 12 6.369 11.941 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 12 5.442 11.558 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.934 12.431 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.296 11.634 -2.241 1.00 0.00 H new ATOM 193 N HIS A 13 4.767 13.972 -3.892 1.00 0.00 N ATOM 194 CA HIS A 13 4.631 15.370 -4.267 1.00 0.00 C ATOM 195 C HIS A 13 3.422 15.968 -3.524 1.00 0.00 C ATOM 196 O HIS A 13 2.628 15.226 -2.940 1.00 0.00 O ATOM 197 CB HIS A 13 4.487 15.518 -5.795 1.00 0.00 C ATOM 198 CG HIS A 13 4.767 16.912 -6.299 1.00 0.00 C ATOM 199 ND1 HIS A 13 3.802 17.807 -6.711 1.00 0.00 N ATOM 200 CD2 HIS A 13 5.947 17.562 -6.429 1.00 0.00 C ATOM 201 CE1 HIS A 13 4.401 18.941 -7.059 1.00 0.00 C ATOM 202 NE2 HIS A 13 5.710 18.852 -6.909 1.00 0.00 N ATOM 0 H HIS A 13 4.479 13.306 -4.609 1.00 0.00 H new ATOM 0 HA HIS A 13 5.530 15.916 -3.980 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.167 14.821 -6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.476 15.233 -6.085 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.798 17.629 -6.743 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.918 17.149 -6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.885 19.820 -7.417 1.00 0.00 H new ATOM 210 N ARG A 14 3.262 17.283 -3.566 1.00 0.00 N ATOM 211 CA ARG A 14 2.195 17.965 -2.811 1.00 0.00 C ATOM 212 C ARG A 14 0.798 17.687 -3.368 1.00 0.00 C ATOM 213 O ARG A 14 -0.207 18.078 -2.775 1.00 0.00 O ATOM 214 CB ARG A 14 2.439 19.472 -2.726 1.00 0.00 C ATOM 215 CG ARG A 14 3.704 19.872 -1.984 1.00 0.00 C ATOM 216 CD ARG A 14 3.701 19.421 -0.521 1.00 0.00 C ATOM 217 NE ARG A 14 2.570 19.975 0.241 1.00 0.00 N ATOM 218 CZ ARG A 14 2.497 20.051 1.584 1.00 0.00 C ATOM 219 NH1 ARG A 14 3.529 19.690 2.345 1.00 0.00 N ATOM 220 NH2 ARG A 14 1.399 20.521 2.155 1.00 0.00 N ATOM 0 H ARG A 14 3.853 17.909 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 14 2.232 17.547 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.485 19.876 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.584 19.937 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.568 19.442 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.817 20.955 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.663 18.332 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.635 19.725 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 14 1.776 20.331 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.388 19.351 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.460 19.753 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.614 20.823 1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.338 20.581 3.171 1.00 0.00 H new ATOM 234 N ASP A 15 0.731 17.030 -4.501 1.00 0.00 N ATOM 235 CA ASP A 15 -0.554 16.654 -5.081 1.00 0.00 C ATOM 236 C ASP A 15 -1.083 15.476 -4.327 1.00 0.00 C ATOM 237 O ASP A 15 -2.288 15.292 -4.187 1.00 0.00 O ATOM 238 CB ASP A 15 -0.418 16.276 -6.556 1.00 0.00 C ATOM 239 CG ASP A 15 0.065 17.405 -7.412 1.00 0.00 C ATOM 240 OD1 ASP A 15 1.286 17.660 -7.445 1.00 0.00 O ATOM 241 OD2 ASP A 15 -0.742 18.058 -8.072 1.00 0.00 O ATOM 0 H ASP A 15 1.544 16.741 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.230 17.507 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.273 15.438 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.384 15.935 -6.927 1.00 0.00 H new ATOM 246 N MET A 16 -0.165 14.695 -3.820 1.00 0.00 N ATOM 247 CA MET A 16 -0.471 13.517 -3.082 1.00 0.00 C ATOM 248 C MET A 16 -0.888 13.870 -1.689 1.00 0.00 C ATOM 249 O MET A 16 -0.203 14.614 -0.981 1.00 0.00 O ATOM 250 CB MET A 16 0.695 12.516 -3.118 1.00 0.00 C ATOM 251 CG MET A 16 0.848 11.828 -4.448 1.00 0.00 C ATOM 252 SD MET A 16 1.275 12.912 -5.809 1.00 0.00 S ATOM 253 CE MET A 16 1.147 11.731 -7.128 1.00 0.00 C ATOM 0 H MET A 16 0.835 14.872 -3.916 1.00 0.00 H new ATOM 0 HA MET A 16 -1.316 13.016 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.621 13.039 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.544 11.764 -2.343 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.617 11.061 -4.358 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.085 11.318 -4.687 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.379 12.217 -8.076 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.850 10.916 -6.956 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.133 11.333 -7.163 1.00 0.00 H new ATOM 263 N LYS A 17 -2.030 13.374 -1.321 1.00 0.00 N ATOM 264 CA LYS A 17 -2.638 13.672 -0.054 1.00 0.00 C ATOM 265 C LYS A 17 -2.566 12.470 0.852 1.00 0.00 C ATOM 266 O LYS A 17 -2.588 12.596 2.082 1.00 0.00 O ATOM 267 CB LYS A 17 -4.104 14.028 -0.276 1.00 0.00 C ATOM 268 CG LYS A 17 -4.334 15.199 -1.204 1.00 0.00 C ATOM 269 CD LYS A 17 -5.812 15.420 -1.441 1.00 0.00 C ATOM 270 CE LYS A 17 -6.055 16.594 -2.367 1.00 0.00 C ATOM 271 NZ LYS A 17 -7.493 16.833 -2.592 1.00 0.00 N ATOM 0 H LYS A 17 -2.578 12.739 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.108 14.506 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.619 13.156 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.560 14.251 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.892 16.099 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.832 15.018 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.252 14.520 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.312 15.596 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.601 17.490 -1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.564 16.409 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.614 17.645 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.923 15.988 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.958 17.035 -1.684 1.00 0.00 H new ATOM 285 N PHE A 18 -2.476 11.304 0.255 1.00 0.00 N ATOM 286 CA PHE A 18 -2.517 10.082 1.005 1.00 0.00 C ATOM 287 C PHE A 18 -1.424 9.158 0.551 1.00 0.00 C ATOM 288 O PHE A 18 -1.085 9.111 -0.636 1.00 0.00 O ATOM 289 CB PHE A 18 -3.862 9.361 0.784 1.00 0.00 C ATOM 290 CG PHE A 18 -5.093 10.178 1.072 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.623 10.236 2.349 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.727 10.878 0.054 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.758 10.980 2.607 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.863 11.620 0.306 1.00 0.00 C ATOM 295 CZ PHE A 18 -7.378 11.671 1.584 1.00 0.00 C ATOM 0 H PHE A 18 -2.374 11.182 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.391 10.333 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.906 9.022 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.884 8.470 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.145 9.694 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.326 10.841 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.161 11.021 3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.347 12.159 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.266 12.251 1.785 1.00 0.00 H new ATOM 305 N CYS A 19 -0.876 8.456 1.468 1.00 0.00 N ATOM 306 CA CYS A 19 0.027 7.402 1.176 1.00 0.00 C ATOM 307 C CYS A 19 -0.780 6.140 1.354 1.00 0.00 C ATOM 308 O CYS A 19 -1.351 5.907 2.429 1.00 0.00 O ATOM 309 CB CYS A 19 1.217 7.415 2.135 1.00 0.00 C ATOM 310 SG CYS A 19 2.138 8.993 2.162 1.00 0.00 S ATOM 0 H CYS A 19 -1.043 8.598 2.464 1.00 0.00 H new ATOM 0 HA CYS A 19 0.442 7.492 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.861 7.198 3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.901 6.612 1.859 1.00 0.00 H new ATOM 315 N TYR A 20 -0.905 5.369 0.325 1.00 0.00 N ATOM 316 CA TYR A 20 -1.728 4.214 0.405 1.00 0.00 C ATOM 317 C TYR A 20 -0.899 2.983 0.639 1.00 0.00 C ATOM 318 O TYR A 20 0.270 2.906 0.230 1.00 0.00 O ATOM 319 CB TYR A 20 -2.666 4.055 -0.819 1.00 0.00 C ATOM 320 CG TYR A 20 -1.992 3.768 -2.147 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.748 2.463 -2.551 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.621 4.792 -2.999 1.00 0.00 C ATOM 323 CE1 TYR A 20 -1.156 2.187 -3.755 1.00 0.00 C ATOM 324 CE2 TYR A 20 -1.023 4.523 -4.211 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.795 3.219 -4.580 1.00 0.00 C ATOM 326 OH TYR A 20 -0.211 2.945 -5.777 1.00 0.00 O ATOM 0 H TYR A 20 -0.450 5.518 -0.575 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.384 4.350 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.368 3.248 -0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.252 4.968 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.031 1.647 -1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.802 5.817 -2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.975 1.164 -4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.735 5.332 -4.867 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.016 3.783 -6.245 1.00 0.00 H new ATOM 336 N HIS A 21 -1.488 2.065 1.305 1.00 0.00 N ATOM 337 CA HIS A 21 -0.909 0.816 1.618 1.00 0.00 C ATOM 338 C HIS A 21 -1.845 -0.262 1.133 1.00 0.00 C ATOM 339 O HIS A 21 -2.889 -0.515 1.732 1.00 0.00 O ATOM 340 CB HIS A 21 -0.658 0.724 3.148 1.00 0.00 C ATOM 341 CG HIS A 21 -0.277 -0.641 3.681 1.00 0.00 C ATOM 342 ND1 HIS A 21 -0.741 -1.135 4.875 1.00 0.00 N ATOM 343 CD2 HIS A 21 0.535 -1.601 3.174 1.00 0.00 C ATOM 344 CE1 HIS A 21 -0.220 -2.347 5.060 1.00 0.00 C ATOM 345 NE2 HIS A 21 0.567 -2.681 4.051 1.00 0.00 N ATOM 0 H HIS A 21 -2.436 2.170 1.665 1.00 0.00 H new ATOM 0 HA HIS A 21 0.057 0.693 1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.133 1.427 3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.560 1.054 3.664 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.071 -1.538 2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.414 -2.973 5.919 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.089 -3.550 3.939 1.00 0.00 H new ATOM 353 N ASN A 22 -1.511 -0.835 0.025 1.00 0.00 N ATOM 354 CA ASN A 22 -2.276 -1.919 -0.506 1.00 0.00 C ATOM 355 C ASN A 22 -1.445 -3.147 -0.377 1.00 0.00 C ATOM 356 O ASN A 22 -0.432 -3.306 -1.071 1.00 0.00 O ATOM 357 CB ASN A 22 -2.668 -1.692 -1.973 1.00 0.00 C ATOM 358 CG ASN A 22 -3.547 -2.811 -2.525 1.00 0.00 C ATOM 359 OD1 ASN A 22 -4.774 -2.756 -2.433 1.00 0.00 O ATOM 360 ND2 ASN A 22 -2.944 -3.832 -3.090 1.00 0.00 N ATOM 0 H ASN A 22 -0.703 -0.568 -0.538 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.210 -2.010 0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.196 -0.743 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.765 -1.612 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.494 -4.605 -3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.926 -3.852 -3.153 1.00 0.00 H new ATOM 367 N THR A 23 -1.812 -3.965 0.527 1.00 0.00 N ATOM 368 CA THR A 23 -1.105 -5.167 0.771 1.00 0.00 C ATOM 369 C THR A 23 -1.859 -6.316 0.095 1.00 0.00 C ATOM 370 O THR A 23 -2.955 -6.115 -0.419 1.00 0.00 O ATOM 371 CB THR A 23 -0.932 -5.387 2.311 1.00 0.00 C ATOM 372 OG1 THR A 23 -0.131 -6.556 2.600 1.00 0.00 O ATOM 373 CG2 THR A 23 -2.281 -5.478 3.029 1.00 0.00 C ATOM 0 H THR A 23 -2.622 -3.822 1.130 1.00 0.00 H new ATOM 0 HA THR A 23 -0.101 -5.119 0.349 1.00 0.00 H new ATOM 0 HB THR A 23 -0.405 -4.512 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.043 -6.661 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.116 -5.631 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.837 -4.553 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.852 -6.315 2.627 1.00 0.00 H new ATOM 381 N GLY A 24 -1.276 -7.477 0.049 1.00 0.00 N ATOM 382 CA GLY A 24 -1.956 -8.595 -0.555 1.00 0.00 C ATOM 383 C GLY A 24 -2.574 -9.473 0.485 1.00 0.00 C ATOM 384 O GLY A 24 -2.722 -9.058 1.651 1.00 0.00 O ATOM 0 H GLY A 24 -0.345 -7.678 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.727 -8.232 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.252 -9.174 -1.153 1.00 0.00 H new ATOM 388 N MET A 25 -2.955 -10.656 0.103 1.00 0.00 N ATOM 389 CA MET A 25 -3.454 -11.620 1.054 1.00 0.00 C ATOM 390 C MET A 25 -2.260 -12.134 1.835 1.00 0.00 C ATOM 391 O MET A 25 -1.210 -12.400 1.235 1.00 0.00 O ATOM 392 CB MET A 25 -4.173 -12.777 0.357 1.00 0.00 C ATOM 393 CG MET A 25 -5.402 -12.370 -0.438 1.00 0.00 C ATOM 394 SD MET A 25 -6.262 -13.780 -1.192 1.00 0.00 S ATOM 395 CE MET A 25 -6.769 -14.706 0.267 1.00 0.00 C ATOM 0 H MET A 25 -2.932 -10.983 -0.863 1.00 0.00 H new ATOM 0 HA MET A 25 -4.184 -11.150 1.714 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.471 -13.273 -0.313 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.468 -13.509 1.108 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.092 -11.840 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.106 -11.672 -1.221 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.585 -15.379 0.005 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.926 -15.287 0.641 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.103 -14.013 1.040 1.00 0.00 H new ATOM 405 N PRO A 26 -2.352 -12.210 3.167 1.00 0.00 N ATOM 406 CA PRO A 26 -1.222 -12.623 3.997 1.00 0.00 C ATOM 407 C PRO A 26 -0.792 -14.065 3.743 1.00 0.00 C ATOM 408 O PRO A 26 -1.463 -15.018 4.134 1.00 0.00 O ATOM 409 CB PRO A 26 -1.728 -12.442 5.436 1.00 0.00 C ATOM 410 CG PRO A 26 -3.218 -12.460 5.327 1.00 0.00 C ATOM 411 CD PRO A 26 -3.548 -11.898 3.973 1.00 0.00 C ATOM 0 HA PRO A 26 -0.332 -12.033 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.370 -13.242 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.375 -11.504 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.603 -13.474 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.673 -11.863 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.444 -12.358 3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.732 -10.825 4.018 1.00 0.00 H new ATOM 419 N PHE A 27 0.300 -14.196 3.046 1.00 0.00 N ATOM 420 CA PHE A 27 0.917 -15.450 2.750 1.00 0.00 C ATOM 421 C PHE A 27 2.384 -15.333 3.026 1.00 0.00 C ATOM 422 O PHE A 27 2.981 -14.271 2.800 1.00 0.00 O ATOM 423 CB PHE A 27 0.683 -15.900 1.295 1.00 0.00 C ATOM 424 CG PHE A 27 -0.701 -16.398 0.981 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.008 -17.739 1.121 1.00 0.00 C ATOM 426 CD2 PHE A 27 -1.686 -15.540 0.536 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.268 -18.208 0.827 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.948 -16.008 0.240 1.00 0.00 C ATOM 429 CZ PHE A 27 -3.239 -17.340 0.386 1.00 0.00 C ATOM 0 H PHE A 27 0.802 -13.399 2.655 1.00 0.00 H new ATOM 0 HA PHE A 27 0.463 -16.211 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.906 -15.062 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.396 -16.690 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.250 -18.427 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.465 -14.489 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.494 -19.258 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.709 -15.325 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.228 -17.706 0.155 1.00 0.00 H new ATOM 439 N ARG A 28 2.959 -16.384 3.518 1.00 0.00 N ATOM 440 CA ARG A 28 4.364 -16.409 3.815 1.00 0.00 C ATOM 441 C ARG A 28 5.148 -16.418 2.517 1.00 0.00 C ATOM 442 O ARG A 28 4.829 -17.185 1.608 1.00 0.00 O ATOM 443 CB ARG A 28 4.682 -17.620 4.679 1.00 0.00 C ATOM 444 CG ARG A 28 3.972 -17.625 6.044 1.00 0.00 C ATOM 445 CD ARG A 28 4.535 -16.577 7.021 1.00 0.00 C ATOM 446 NE ARG A 28 4.391 -15.181 6.558 1.00 0.00 N ATOM 447 CZ ARG A 28 5.297 -14.214 6.769 1.00 0.00 C ATOM 448 NH1 ARG A 28 6.382 -14.458 7.505 1.00 0.00 N ATOM 449 NH2 ARG A 28 5.102 -13.004 6.264 1.00 0.00 N ATOM 0 H ARG A 28 2.470 -17.254 3.727 1.00 0.00 H new ATOM 0 HA ARG A 28 4.650 -15.519 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.405 -18.523 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.759 -17.663 4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.908 -17.439 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.063 -18.615 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.031 -16.684 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.591 -16.785 7.191 1.00 0.00 H new ATOM 0 HE ARG A 28 3.545 -14.936 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.526 -15.383 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.068 -13.720 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.264 -12.809 5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.790 -12.268 6.424 1.00 0.00 H new ATOM 463 N ASN A 29 6.114 -15.519 2.422 1.00 0.00 N ATOM 464 CA ASN A 29 6.938 -15.302 1.226 1.00 0.00 C ATOM 465 C ASN A 29 6.153 -14.595 0.141 1.00 0.00 C ATOM 466 O ASN A 29 6.551 -14.568 -1.030 1.00 0.00 O ATOM 467 CB ASN A 29 7.624 -16.585 0.704 1.00 0.00 C ATOM 468 CG ASN A 29 8.847 -16.997 1.519 1.00 0.00 C ATOM 469 OD1 ASN A 29 8.948 -16.727 2.725 1.00 0.00 O ATOM 470 ND2 ASN A 29 9.781 -17.650 0.875 1.00 0.00 N ATOM 0 H ASN A 29 6.360 -14.898 3.193 1.00 0.00 H new ATOM 0 HA ASN A 29 7.753 -14.647 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.902 -17.401 0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.923 -16.431 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.623 -17.952 1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.667 -17.856 -0.117 1.00 0.00 H new ATOM 477 N LEU A 30 5.046 -13.993 0.531 1.00 0.00 N ATOM 478 CA LEU A 30 4.264 -13.197 -0.368 1.00 0.00 C ATOM 479 C LEU A 30 4.210 -11.780 0.145 1.00 0.00 C ATOM 480 O LEU A 30 3.378 -11.433 0.999 1.00 0.00 O ATOM 481 CB LEU A 30 2.847 -13.735 -0.568 1.00 0.00 C ATOM 482 CG LEU A 30 1.965 -12.935 -1.548 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.537 -12.964 -2.952 1.00 0.00 C ATOM 484 CD2 LEU A 30 0.543 -13.448 -1.544 1.00 0.00 C ATOM 0 H LEU A 30 4.672 -14.047 1.479 1.00 0.00 H new ATOM 0 HA LEU A 30 4.750 -13.235 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.914 -14.763 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.348 -13.765 0.401 1.00 0.00 H new ATOM 0 HG LEU A 30 1.955 -11.899 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.893 -12.391 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.535 -12.526 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.595 -13.995 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.056 -12.865 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.533 -14.496 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.125 -13.353 -0.542 1.00 0.00 H new ATOM 496 N LYS A 31 5.134 -10.997 -0.302 1.00 0.00 N ATOM 497 CA LYS A 31 5.192 -9.609 0.046 1.00 0.00 C ATOM 498 C LYS A 31 4.702 -8.816 -1.138 1.00 0.00 C ATOM 499 O LYS A 31 5.388 -8.732 -2.173 1.00 0.00 O ATOM 500 CB LYS A 31 6.624 -9.195 0.404 1.00 0.00 C ATOM 501 CG LYS A 31 7.213 -9.945 1.589 1.00 0.00 C ATOM 502 CD LYS A 31 8.674 -9.587 1.810 1.00 0.00 C ATOM 503 CE LYS A 31 9.252 -10.340 2.999 1.00 0.00 C ATOM 504 NZ LYS A 31 10.704 -10.107 3.155 1.00 0.00 N ATOM 0 H LYS A 31 5.880 -11.302 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 31 4.568 -9.419 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.263 -9.352 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.638 -8.127 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.641 -9.713 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.122 -11.018 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.248 -9.822 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.767 -8.514 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.736 -10.031 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.068 -11.407 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.055 -10.639 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.201 -10.426 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.879 -9.092 3.299 1.00 0.00 H new ATOM 518 N LEU A 32 3.513 -8.313 -1.037 1.00 0.00 N ATOM 519 CA LEU A 32 2.939 -7.527 -2.084 1.00 0.00 C ATOM 520 C LEU A 32 2.981 -6.087 -1.674 1.00 0.00 C ATOM 521 O LEU A 32 2.242 -5.655 -0.788 1.00 0.00 O ATOM 522 CB LEU A 32 1.493 -7.952 -2.391 1.00 0.00 C ATOM 523 CG LEU A 32 0.781 -7.126 -3.480 1.00 0.00 C ATOM 524 CD1 LEU A 32 1.478 -7.269 -4.816 1.00 0.00 C ATOM 525 CD2 LEU A 32 -0.680 -7.512 -3.596 1.00 0.00 C ATOM 0 H LEU A 32 2.910 -8.436 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 32 3.516 -7.680 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.496 -8.998 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.910 -7.890 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 32 0.830 -6.079 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.954 -6.676 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.506 -6.918 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.476 -8.317 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.154 -6.912 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.758 -8.568 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.180 -7.334 -2.644 1.00 0.00 H new ATOM 537 N ILE A 33 3.854 -5.355 -2.278 1.00 0.00 N ATOM 538 CA ILE A 33 3.988 -3.981 -1.958 1.00 0.00 C ATOM 539 C ILE A 33 3.360 -3.115 -3.013 1.00 0.00 C ATOM 540 O ILE A 33 3.863 -2.987 -4.136 1.00 0.00 O ATOM 541 CB ILE A 33 5.465 -3.564 -1.666 1.00 0.00 C ATOM 542 CG1 ILE A 33 5.977 -4.276 -0.398 1.00 0.00 C ATOM 543 CG2 ILE A 33 5.610 -2.042 -1.517 1.00 0.00 C ATOM 544 CD1 ILE A 33 5.158 -3.973 0.856 1.00 0.00 C ATOM 0 H ILE A 33 4.489 -5.692 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 33 3.444 -3.822 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 33 6.070 -3.869 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.973 -5.352 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.013 -3.985 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.652 -1.794 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.293 -1.554 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.988 -1.696 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.580 -4.510 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.182 -2.902 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.127 -4.291 0.702 1.00 0.00 H new ATOM 556 N LEU A 34 2.211 -2.619 -2.681 1.00 0.00 N ATOM 557 CA LEU A 34 1.541 -1.623 -3.446 1.00 0.00 C ATOM 558 C LEU A 34 1.288 -0.463 -2.530 1.00 0.00 C ATOM 559 O LEU A 34 0.174 -0.174 -2.139 1.00 0.00 O ATOM 560 CB LEU A 34 0.254 -2.143 -4.099 1.00 0.00 C ATOM 561 CG LEU A 34 0.430 -3.156 -5.229 1.00 0.00 C ATOM 562 CD1 LEU A 34 -0.917 -3.649 -5.715 1.00 0.00 C ATOM 563 CD2 LEU A 34 1.209 -2.544 -6.385 1.00 0.00 C ATOM 0 H LEU A 34 1.700 -2.906 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 34 2.165 -1.315 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.363 -2.598 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.301 -1.290 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 34 0.995 -4.003 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.772 -4.370 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.448 -4.126 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.502 -2.806 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.323 -3.283 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.669 -1.678 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.193 -2.232 -6.036 1.00 0.00 H new ATOM 575 N GLN A 35 2.366 0.102 -2.086 1.00 0.00 N ATOM 576 CA GLN A 35 2.347 1.221 -1.194 1.00 0.00 C ATOM 577 C GLN A 35 2.814 2.419 -1.972 1.00 0.00 C ATOM 578 O GLN A 35 3.944 2.443 -2.427 1.00 0.00 O ATOM 579 CB GLN A 35 3.295 0.961 -0.021 1.00 0.00 C ATOM 580 CG GLN A 35 2.980 -0.293 0.770 1.00 0.00 C ATOM 581 CD GLN A 35 3.971 -0.572 1.897 1.00 0.00 C ATOM 582 OE1 GLN A 35 3.621 -1.167 2.902 1.00 0.00 O ATOM 583 NE2 GLN A 35 5.197 -0.141 1.745 1.00 0.00 N ATOM 0 H GLN A 35 3.305 -0.207 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 35 1.345 1.385 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.314 0.890 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.265 1.818 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.979 -0.204 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.965 -1.146 0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.462 0.354 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.888 -0.300 2.478 1.00 0.00 H new ATOM 592 N GLY A 36 1.972 3.372 -2.165 1.00 0.00 N ATOM 593 CA GLY A 36 2.357 4.498 -2.967 1.00 0.00 C ATOM 594 C GLY A 36 1.769 5.767 -2.470 1.00 0.00 C ATOM 595 O GLY A 36 1.161 5.799 -1.407 1.00 0.00 O ATOM 0 H GLY A 36 1.024 3.404 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.444 4.582 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.042 4.333 -3.997 1.00 0.00 H new ATOM 599 N CYS A 37 1.910 6.792 -3.232 1.00 0.00 N ATOM 600 CA CYS A 37 1.396 8.073 -2.877 1.00 0.00 C ATOM 601 C CYS A 37 0.251 8.389 -3.834 1.00 0.00 C ATOM 602 O CYS A 37 0.378 8.194 -5.045 1.00 0.00 O ATOM 603 CB CYS A 37 2.504 9.124 -3.004 1.00 0.00 C ATOM 604 SG CYS A 37 4.093 8.666 -2.217 1.00 0.00 S ATOM 0 H CYS A 37 2.391 6.768 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 37 1.039 8.079 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.682 9.318 -4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.152 10.057 -2.563 1.00 0.00 H new ATOM 609 N SER A 38 -0.862 8.822 -3.315 1.00 0.00 N ATOM 610 CA SER A 38 -1.991 9.140 -4.148 1.00 0.00 C ATOM 611 C SER A 38 -2.599 10.480 -3.746 1.00 0.00 C ATOM 612 O SER A 38 -2.458 10.933 -2.603 1.00 0.00 O ATOM 613 CB SER A 38 -3.042 8.022 -4.090 1.00 0.00 C ATOM 614 OG SER A 38 -4.130 8.292 -4.963 1.00 0.00 O ATOM 0 H SER A 38 -1.014 8.964 -2.316 1.00 0.00 H new ATOM 0 HA SER A 38 -1.642 9.223 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.581 7.072 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.409 7.917 -3.069 1.00 0.00 H new ATOM 0 HG SER A 38 -4.783 7.563 -4.907 1.00 0.00 H new ATOM 620 N SER A 39 -3.244 11.110 -4.689 1.00 0.00 N ATOM 621 CA SER A 39 -3.902 12.371 -4.493 1.00 0.00 C ATOM 622 C SER A 39 -5.330 12.126 -3.973 1.00 0.00 C ATOM 623 O SER A 39 -6.007 13.031 -3.521 1.00 0.00 O ATOM 624 CB SER A 39 -3.915 13.137 -5.835 1.00 0.00 C ATOM 625 OG SER A 39 -4.388 14.469 -5.694 1.00 0.00 O ATOM 0 H SER A 39 -3.328 10.750 -5.640 1.00 0.00 H new ATOM 0 HA SER A 39 -3.372 12.972 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.907 13.154 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.544 12.604 -6.548 1.00 0.00 H new ATOM 0 HG SER A 39 -3.718 15.006 -5.222 1.00 0.00 H new ATOM 631 N SER A 40 -5.763 10.890 -4.023 1.00 0.00 N ATOM 632 CA SER A 40 -7.079 10.521 -3.569 1.00 0.00 C ATOM 633 C SER A 40 -7.002 9.168 -2.860 1.00 0.00 C ATOM 634 O SER A 40 -5.904 8.694 -2.559 1.00 0.00 O ATOM 635 CB SER A 40 -8.043 10.484 -4.760 1.00 0.00 C ATOM 636 OG SER A 40 -8.132 11.773 -5.379 1.00 0.00 O ATOM 0 H SER A 40 -5.211 10.111 -4.381 1.00 0.00 H new ATOM 0 HA SER A 40 -7.457 11.257 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.702 9.748 -5.488 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.031 10.167 -4.425 1.00 0.00 H new ATOM 0 HG SER A 40 -8.750 11.729 -6.138 1.00 0.00 H new ATOM 642 N CYS A 41 -8.128 8.567 -2.572 1.00 0.00 N ATOM 643 CA CYS A 41 -8.144 7.300 -1.898 1.00 0.00 C ATOM 644 C CYS A 41 -9.344 6.496 -2.340 1.00 0.00 C ATOM 645 O CYS A 41 -10.342 7.069 -2.784 1.00 0.00 O ATOM 646 CB CYS A 41 -8.176 7.503 -0.368 1.00 0.00 C ATOM 647 SG CYS A 41 -8.343 5.955 0.606 1.00 0.00 S ATOM 0 H CYS A 41 -9.050 8.940 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.236 6.755 -2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.261 8.012 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.006 8.164 -0.120 1.00 0.00 H new ATOM 652 N SER A 42 -9.214 5.194 -2.297 1.00 0.00 N ATOM 653 CA SER A 42 -10.307 4.304 -2.496 1.00 0.00 C ATOM 654 C SER A 42 -10.521 3.596 -1.176 1.00 0.00 C ATOM 655 O SER A 42 -9.660 2.803 -0.727 1.00 0.00 O ATOM 656 CB SER A 42 -10.007 3.299 -3.605 1.00 0.00 C ATOM 657 OG SER A 42 -11.138 2.460 -3.892 1.00 0.00 O ATOM 0 H SER A 42 -8.326 4.724 -2.119 1.00 0.00 H new ATOM 0 HA SER A 42 -11.200 4.848 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.713 3.833 -4.509 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.160 2.678 -3.312 1.00 0.00 H new ATOM 0 HG SER A 42 -10.906 1.832 -4.608 1.00 0.00 H new ATOM 663 N GLU A 43 -11.615 3.915 -0.542 1.00 0.00 N ATOM 664 CA GLU A 43 -11.934 3.389 0.766 1.00 0.00 C ATOM 665 C GLU A 43 -12.290 1.910 0.695 1.00 0.00 C ATOM 666 O GLU A 43 -13.406 1.505 0.349 1.00 0.00 O ATOM 667 CB GLU A 43 -13.008 4.223 1.472 1.00 0.00 C ATOM 668 CG GLU A 43 -14.313 4.324 0.723 1.00 0.00 C ATOM 669 CD GLU A 43 -15.329 5.156 1.446 1.00 0.00 C ATOM 670 OE1 GLU A 43 -16.061 4.619 2.316 1.00 0.00 O ATOM 671 OE2 GLU A 43 -15.411 6.372 1.179 1.00 0.00 O ATOM 0 H GLU A 43 -12.319 4.551 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.038 3.468 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.200 3.790 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.620 5.228 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.130 4.754 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.715 3.323 0.564 1.00 0.00 H new ATOM 678 N THR A 44 -11.327 1.122 0.977 1.00 0.00 N ATOM 679 CA THR A 44 -11.433 -0.295 0.904 1.00 0.00 C ATOM 680 C THR A 44 -10.790 -0.902 2.138 1.00 0.00 C ATOM 681 O THR A 44 -10.264 -0.172 2.989 1.00 0.00 O ATOM 682 CB THR A 44 -10.742 -0.814 -0.379 1.00 0.00 C ATOM 683 OG1 THR A 44 -9.435 -0.259 -0.467 1.00 0.00 O ATOM 684 CG2 THR A 44 -11.528 -0.449 -1.631 1.00 0.00 C ATOM 0 H THR A 44 -10.408 1.449 1.276 1.00 0.00 H new ATOM 0 HA THR A 44 -12.483 -0.585 0.865 1.00 0.00 H new ATOM 0 HB THR A 44 -10.692 -1.901 -0.317 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.499 0.696 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.010 -0.831 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.524 -0.889 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.614 0.635 -1.703 1.00 0.00 H new ATOM 692 N GLU A 45 -10.831 -2.201 2.253 1.00 0.00 N ATOM 693 CA GLU A 45 -10.259 -2.864 3.396 1.00 0.00 C ATOM 694 C GLU A 45 -8.840 -3.310 3.075 1.00 0.00 C ATOM 695 O GLU A 45 -7.989 -3.405 3.950 1.00 0.00 O ATOM 696 CB GLU A 45 -11.123 -4.067 3.768 1.00 0.00 C ATOM 697 CG GLU A 45 -10.692 -4.799 5.024 1.00 0.00 C ATOM 698 CD GLU A 45 -11.559 -5.988 5.300 1.00 0.00 C ATOM 699 OE1 GLU A 45 -12.686 -5.809 5.795 1.00 0.00 O ATOM 700 OE2 GLU A 45 -11.145 -7.123 5.009 1.00 0.00 O ATOM 0 H GLU A 45 -11.256 -2.825 1.567 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.225 -2.176 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.152 -3.731 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.118 -4.770 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.656 -5.121 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.730 -4.117 5.873 1.00 0.00 H new ATOM 707 N ASN A 46 -8.593 -3.566 1.817 1.00 0.00 N ATOM 708 CA ASN A 46 -7.304 -4.072 1.383 1.00 0.00 C ATOM 709 C ASN A 46 -6.339 -2.924 1.078 1.00 0.00 C ATOM 710 O ASN A 46 -5.137 -3.016 1.350 1.00 0.00 O ATOM 711 CB ASN A 46 -7.478 -4.987 0.163 1.00 0.00 C ATOM 712 CG ASN A 46 -6.216 -5.739 -0.192 1.00 0.00 C ATOM 713 OD1 ASN A 46 -5.971 -6.838 0.319 1.00 0.00 O ATOM 714 ND2 ASN A 46 -5.433 -5.209 -1.075 1.00 0.00 N ATOM 0 H ASN A 46 -9.269 -3.433 1.065 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.871 -4.658 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.277 -5.701 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.791 -4.388 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.588 -5.699 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.661 -4.301 -1.479 1.00 0.00 H new ATOM 721 N ASN A 47 -6.868 -1.848 0.523 1.00 0.00 N ATOM 722 CA ASN A 47 -6.075 -0.681 0.226 1.00 0.00 C ATOM 723 C ASN A 47 -6.338 0.374 1.267 1.00 0.00 C ATOM 724 O ASN A 47 -7.410 0.998 1.299 1.00 0.00 O ATOM 725 CB ASN A 47 -6.382 -0.150 -1.175 1.00 0.00 C ATOM 726 CG ASN A 47 -5.669 1.146 -1.499 1.00 0.00 C ATOM 727 OD1 ASN A 47 -4.554 1.146 -2.007 1.00 0.00 O ATOM 728 ND2 ASN A 47 -6.313 2.251 -1.231 1.00 0.00 N ATOM 0 H ASN A 47 -7.852 -1.764 0.269 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.020 -0.953 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.101 -0.904 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.457 0.002 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.889 3.153 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.240 2.211 -0.808 1.00 0.00 H new ATOM 735 N LYS A 48 -5.396 0.550 2.122 1.00 0.00 N ATOM 736 CA LYS A 48 -5.492 1.494 3.200 1.00 0.00 C ATOM 737 C LYS A 48 -4.871 2.812 2.795 1.00 0.00 C ATOM 738 O LYS A 48 -3.999 2.846 1.946 1.00 0.00 O ATOM 739 CB LYS A 48 -4.805 0.934 4.441 1.00 0.00 C ATOM 740 CG LYS A 48 -5.494 -0.280 5.039 1.00 0.00 C ATOM 741 CD LYS A 48 -6.885 0.059 5.554 1.00 0.00 C ATOM 742 CE LYS A 48 -7.525 -1.123 6.268 1.00 0.00 C ATOM 743 NZ LYS A 48 -6.723 -1.575 7.430 1.00 0.00 N ATOM 0 H LYS A 48 -4.515 0.036 2.100 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.543 1.667 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.780 0.667 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.751 1.717 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.566 -1.065 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.890 -0.676 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.824 0.907 6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.517 0.366 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.524 -0.845 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.643 -1.949 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.311 -2.170 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.906 -2.125 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.388 -0.748 7.964 1.00 0.00 H new ATOM 757 N CYS A 49 -5.316 3.874 3.391 1.00 0.00 N ATOM 758 CA CYS A 49 -4.824 5.189 3.078 1.00 0.00 C ATOM 759 C CYS A 49 -4.506 5.913 4.355 1.00 0.00 C ATOM 760 O CYS A 49 -5.351 6.023 5.240 1.00 0.00 O ATOM 761 CB CYS A 49 -5.869 5.995 2.307 1.00 0.00 C ATOM 762 SG CYS A 49 -6.457 5.239 0.758 1.00 0.00 S ATOM 0 H CYS A 49 -6.036 3.858 4.114 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.932 5.085 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.727 6.161 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.449 6.974 2.076 1.00 0.00 H new ATOM 767 N CYS A 50 -3.313 6.379 4.469 1.00 0.00 N ATOM 768 CA CYS A 50 -2.912 7.128 5.612 1.00 0.00 C ATOM 769 C CYS A 50 -2.251 8.418 5.154 1.00 0.00 C ATOM 770 O CYS A 50 -1.646 8.465 4.089 1.00 0.00 O ATOM 771 CB CYS A 50 -2.021 6.276 6.517 1.00 0.00 C ATOM 772 SG CYS A 50 -0.654 5.449 5.650 1.00 0.00 S ATOM 0 H CYS A 50 -2.582 6.252 3.769 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.778 7.404 6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.608 6.909 7.302 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.636 5.521 7.007 1.00 0.00 H new ATOM 777 N SER A 51 -2.408 9.464 5.908 1.00 0.00 N ATOM 778 CA SER A 51 -1.928 10.759 5.505 1.00 0.00 C ATOM 779 C SER A 51 -0.807 11.276 6.409 1.00 0.00 C ATOM 780 O SER A 51 -0.569 12.481 6.497 1.00 0.00 O ATOM 781 CB SER A 51 -3.118 11.707 5.479 1.00 0.00 C ATOM 782 OG SER A 51 -3.939 11.513 6.629 1.00 0.00 O ATOM 0 H SER A 51 -2.870 9.448 6.817 1.00 0.00 H new ATOM 0 HA SER A 51 -1.483 10.688 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.767 12.739 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.704 11.540 4.575 1.00 0.00 H new ATOM 0 HG SER A 51 -4.698 12.132 6.597 1.00 0.00 H new ATOM 788 N THR A 52 -0.096 10.374 7.032 1.00 0.00 N ATOM 789 CA THR A 52 0.996 10.749 7.892 1.00 0.00 C ATOM 790 C THR A 52 2.288 10.242 7.254 1.00 0.00 C ATOM 791 O THR A 52 2.286 9.198 6.601 1.00 0.00 O ATOM 792 CB THR A 52 0.833 10.100 9.264 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.571 10.040 9.600 1.00 0.00 O ATOM 794 CG2 THR A 52 1.544 10.923 10.323 1.00 0.00 C ATOM 0 H THR A 52 -0.254 9.369 6.960 1.00 0.00 H new ATOM 0 HA THR A 52 1.017 11.832 8.016 1.00 0.00 H new ATOM 0 HB THR A 52 1.262 9.099 9.230 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.679 9.622 10.480 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.420 10.449 11.297 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.605 10.986 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.118 11.926 10.351 1.00 0.00 H new ATOM 802 N ASP A 53 3.366 10.951 7.427 1.00 0.00 N ATOM 803 CA ASP A 53 4.615 10.557 6.792 1.00 0.00 C ATOM 804 C ASP A 53 5.116 9.260 7.377 1.00 0.00 C ATOM 805 O ASP A 53 5.080 9.055 8.591 1.00 0.00 O ATOM 806 CB ASP A 53 5.711 11.645 6.850 1.00 0.00 C ATOM 807 CG ASP A 53 6.349 11.841 8.209 1.00 0.00 C ATOM 808 OD1 ASP A 53 5.778 12.569 9.057 1.00 0.00 O ATOM 809 OD2 ASP A 53 7.466 11.331 8.428 1.00 0.00 O ATOM 0 H ASP A 53 3.418 11.798 7.994 1.00 0.00 H new ATOM 0 HA ASP A 53 4.390 10.416 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.491 11.391 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.278 12.592 6.529 1.00 0.00 H new ATOM 814 N ARG A 54 5.497 8.368 6.488 1.00 0.00 N ATOM 815 CA ARG A 54 6.032 7.057 6.806 1.00 0.00 C ATOM 816 C ARG A 54 4.999 6.143 7.474 1.00 0.00 C ATOM 817 O ARG A 54 5.356 5.127 8.054 1.00 0.00 O ATOM 818 CB ARG A 54 7.324 7.171 7.640 1.00 0.00 C ATOM 819 CG ARG A 54 8.468 7.853 6.902 1.00 0.00 C ATOM 820 CD ARG A 54 9.685 8.066 7.796 1.00 0.00 C ATOM 821 NE ARG A 54 10.276 6.816 8.310 1.00 0.00 N ATOM 822 CZ ARG A 54 10.526 6.558 9.612 1.00 0.00 C ATOM 823 NH1 ARG A 54 10.077 7.376 10.563 1.00 0.00 N ATOM 824 NH2 ARG A 54 11.209 5.475 9.955 1.00 0.00 N ATOM 0 H ARG A 54 5.441 8.541 5.484 1.00 0.00 H new ATOM 0 HA ARG A 54 6.288 6.581 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.109 7.727 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.641 6.173 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.753 7.249 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.128 8.815 6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.444 8.612 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.398 8.694 8.639 1.00 0.00 H new ATOM 0 HE ARG A 54 10.514 6.092 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.539 8.205 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.271 7.173 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.546 4.836 9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.397 5.281 10.939 1.00 0.00 H new ATOM 838 N CYS A 55 3.718 6.477 7.331 1.00 0.00 N ATOM 839 CA CYS A 55 2.640 5.685 7.931 1.00 0.00 C ATOM 840 C CYS A 55 2.557 4.284 7.316 1.00 0.00 C ATOM 841 O CYS A 55 2.232 3.300 8.002 1.00 0.00 O ATOM 842 CB CYS A 55 1.311 6.396 7.734 1.00 0.00 C ATOM 843 SG CYS A 55 0.901 6.682 5.979 1.00 0.00 S ATOM 0 H CYS A 55 3.399 7.291 6.805 1.00 0.00 H new ATOM 0 HA CYS A 55 2.858 5.579 8.994 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.519 5.805 8.194 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.338 7.353 8.255 1.00 0.00 H new ATOM 848 N ASN A 56 2.902 4.186 6.047 1.00 0.00 N ATOM 849 CA ASN A 56 2.811 2.945 5.295 1.00 0.00 C ATOM 850 C ASN A 56 4.056 2.067 5.521 1.00 0.00 C ATOM 851 O ASN A 56 4.660 1.537 4.592 1.00 0.00 O ATOM 852 CB ASN A 56 2.547 3.239 3.796 1.00 0.00 C ATOM 853 CG ASN A 56 3.679 3.946 3.068 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.519 4.633 3.675 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.662 3.859 1.760 1.00 0.00 N ATOM 0 H ASN A 56 3.257 4.972 5.502 1.00 0.00 H new ATOM 0 HA ASN A 56 1.961 2.371 5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.341 2.297 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.647 3.848 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.353 4.365 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.958 3.285 1.296 1.00 0.00 H new ATOM 862 N LYS A 57 4.407 1.930 6.779 1.00 0.00 N ATOM 863 CA LYS A 57 5.523 1.136 7.217 1.00 0.00 C ATOM 864 C LYS A 57 5.101 -0.321 7.363 1.00 0.00 C ATOM 865 O LYS A 57 5.599 -1.178 6.603 1.00 0.00 O ATOM 866 CB LYS A 57 6.135 1.706 8.525 1.00 0.00 C ATOM 867 CG LYS A 57 5.141 1.919 9.671 1.00 0.00 C ATOM 868 CD LYS A 57 5.798 2.524 10.917 1.00 0.00 C ATOM 869 CE LYS A 57 6.348 3.926 10.654 1.00 0.00 C ATOM 870 NZ LYS A 57 6.898 4.550 11.870 1.00 0.00 N ATOM 871 OXT LYS A 57 4.206 -0.616 8.190 1.00 0.00 O ATOM 0 H LYS A 57 3.907 2.382 7.545 1.00 0.00 H new ATOM 0 HA LYS A 57 6.308 1.180 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.918 1.029 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.613 2.659 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.338 2.575 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.684 0.965 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.069 2.567 11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.607 1.875 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.126 3.871 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.554 4.556 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.258 5.498 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.150 4.628 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.674 3.965 12.240 1.00 0.00 H new TER 885 LYS A 57