USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 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 42 SER OG : rot -67:sc= 1.28 USER MOD Set 1.2: A 44 THR OG1 : rot 72:sc= -0.35 USER MOD Set 2.1: A 22 ASN : amide:sc= -1.84! C(o=-8.2!,f=-13!) USER MOD Set 2.2: A 46 ASN : amide:sc= -6.31! C(o=-8.2!,f=-17!) USER MOD Single : A 1 LEU N :NH3+ -125:sc= -1.2 (180deg=-3.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 90:sc= -2.27! USER MOD Single : A 5 GLN : amide:sc= -3.91! C(o=-3.9!,f=-10!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) 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= 0.622 K(o=0.62,f=-2!) USER MOD Single : A 16 MET CE :methyl 169:sc= 0 (180deg=-0.0873) 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 21 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.7) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -4.39! C(o=-4.4!,f=-9.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.309 F(o=-0.82,f=-0.31) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -35:sc= -1.4! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -3.24! C(o=-3.2!,f=-7.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 92:sc= 0.213 USER MOD Single : A 56 ASN : amide:sc= -9.27! C(o=-9.3!,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.016 -5.251 -10.858 1.00 0.00 N ATOM 2 CA LEU A 1 1.979 -4.877 -9.855 1.00 0.00 C ATOM 3 C LEU A 1 2.304 -5.538 -8.521 1.00 0.00 C ATOM 4 O LEU A 1 1.866 -6.655 -8.248 1.00 0.00 O ATOM 5 CB LEU A 1 0.607 -5.345 -10.346 1.00 0.00 C ATOM 6 CG LEU A 1 -0.028 -4.254 -11.210 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.726 -4.149 -12.537 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.492 -4.608 -11.481 1.00 0.00 C ATOM 0 H1 LEU A 1 3.428 -4.389 -11.269 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.764 -5.805 -10.394 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.581 -5.820 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 1 1.965 -3.795 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.710 -6.265 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.037 -5.571 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 1 0.025 -3.299 -10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.273 -3.372 -13.152 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.769 -3.898 -12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.674 -5.103 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.946 -3.832 -12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -1.545 -5.563 -12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.029 -4.682 -10.536 1.00 0.00 H new ATOM 22 N LYS A 2 3.075 -4.843 -7.693 1.00 0.00 N ATOM 23 CA LYS A 2 3.451 -5.376 -6.388 1.00 0.00 C ATOM 24 C LYS A 2 3.821 -4.247 -5.435 1.00 0.00 C ATOM 25 O LYS A 2 4.134 -3.136 -5.863 1.00 0.00 O ATOM 26 CB LYS A 2 4.639 -6.328 -6.536 1.00 0.00 C ATOM 27 CG LYS A 2 5.940 -5.522 -6.558 1.00 0.00 C ATOM 28 CD LYS A 2 7.018 -6.312 -7.303 1.00 0.00 C ATOM 29 CE LYS A 2 7.119 -5.806 -8.744 1.00 0.00 C ATOM 30 NZ LYS A 2 8.344 -6.369 -9.381 1.00 0.00 N ATOM 0 H LYS A 2 3.450 -3.917 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 2 2.598 -5.918 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.654 -7.039 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.542 -6.907 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.776 -4.561 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.267 -5.311 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.978 -6.201 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.775 -7.375 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.234 -6.101 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.157 -4.717 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.415 -6.026 -10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.183 -6.066 -8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.289 -7.408 -9.381 1.00 0.00 H new ATOM 44 N CYS A 3 3.782 -4.541 -4.141 1.00 0.00 N ATOM 45 CA CYS A 3 4.117 -3.546 -3.131 1.00 0.00 C ATOM 46 C CYS A 3 4.619 -4.225 -1.861 1.00 0.00 C ATOM 47 O CYS A 3 4.698 -5.452 -1.792 1.00 0.00 O ATOM 48 CB CYS A 3 2.889 -2.691 -2.813 1.00 0.00 C ATOM 49 SG CYS A 3 1.424 -3.434 -3.574 1.00 0.00 S ATOM 0 H CYS A 3 3.523 -5.455 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 3 4.908 -2.906 -3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.754 -2.617 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.032 -1.677 -3.187 1.00 0.00 H new ATOM 54 N TYR A 4 4.959 -3.421 -0.862 1.00 0.00 N ATOM 55 CA TYR A 4 5.458 -3.952 0.400 1.00 0.00 C ATOM 56 C TYR A 4 4.304 -4.290 1.333 1.00 0.00 C ATOM 57 O TYR A 4 3.849 -3.449 2.109 1.00 0.00 O ATOM 58 CB TYR A 4 6.378 -2.930 1.065 1.00 0.00 C ATOM 59 CG TYR A 4 7.730 -2.972 0.397 1.00 0.00 C ATOM 60 CD1 TYR A 4 8.529 -4.115 0.513 1.00 0.00 C ATOM 61 CD2 TYR A 4 8.181 -1.872 -0.340 1.00 0.00 C ATOM 62 CE1 TYR A 4 9.781 -4.157 -0.110 1.00 0.00 C ATOM 63 CE2 TYR A 4 9.433 -1.913 -0.963 1.00 0.00 C ATOM 64 CZ TYR A 4 10.234 -3.057 -0.848 1.00 0.00 C ATOM 65 OH TYR A 4 11.470 -3.100 -1.461 1.00 0.00 O ATOM 0 H TYR A 4 4.899 -2.403 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 4 6.018 -4.864 0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.950 -1.931 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.477 -3.149 2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.180 -4.963 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.563 -0.991 -0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.398 -5.039 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.782 -1.064 -1.532 1.00 0.00 H new ATOM 0 HH TYR A 4 11.373 -3.461 -2.367 1.00 0.00 H new ATOM 75 N GLN A 5 3.836 -5.527 1.248 1.00 0.00 N ATOM 76 CA GLN A 5 2.730 -5.977 2.084 1.00 0.00 C ATOM 77 C GLN A 5 3.242 -6.697 3.329 1.00 0.00 C ATOM 78 O GLN A 5 2.644 -6.600 4.401 1.00 0.00 O ATOM 79 CB GLN A 5 1.825 -6.918 1.287 1.00 0.00 C ATOM 80 CG GLN A 5 0.683 -7.409 2.180 1.00 0.00 C ATOM 81 CD GLN A 5 -0.653 -7.226 1.466 1.00 0.00 C ATOM 82 OE1 GLN A 5 -1.067 -6.097 1.202 1.00 0.00 O ATOM 83 NE2 GLN A 5 -1.356 -8.275 1.137 1.00 0.00 N ATOM 0 H GLN A 5 4.202 -6.235 0.612 1.00 0.00 H new ATOM 0 HA GLN A 5 2.164 -5.100 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.423 -6.401 0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.401 -7.766 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.831 -8.460 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.681 -6.856 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.011 -9.209 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.250 -8.160 0.660 1.00 0.00 H new ATOM 92 N HIS A 6 4.348 -7.421 3.182 1.00 0.00 N ATOM 93 CA HIS A 6 4.918 -8.153 4.309 1.00 0.00 C ATOM 94 C HIS A 6 6.414 -7.875 4.438 1.00 0.00 C ATOM 95 O HIS A 6 7.178 -8.736 4.874 1.00 0.00 O ATOM 96 CB HIS A 6 4.690 -9.656 4.124 1.00 0.00 C ATOM 97 CG HIS A 6 4.040 -10.225 5.356 1.00 0.00 C ATOM 98 ND1 HIS A 6 2.668 -10.393 5.457 1.00 0.00 N ATOM 99 CD2 HIS A 6 4.561 -10.669 6.547 1.00 0.00 C ATOM 100 CE1 HIS A 6 2.412 -10.916 6.670 1.00 0.00 C ATOM 101 NE2 HIS A 6 3.530 -11.104 7.375 1.00 0.00 N ATOM 0 H HIS A 6 4.862 -7.516 2.306 1.00 0.00 H new ATOM 0 HA HIS A 6 4.422 -7.817 5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.059 -9.834 3.253 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.640 -10.158 3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.610 -10.679 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.422 -11.155 7.030 1.00 0.00 H new ATOM 0 HE2 HIS A 6 3.611 -11.485 8.318 1.00 0.00 H new ATOM 109 N GLY A 7 6.823 -6.666 4.067 1.00 0.00 N ATOM 110 CA GLY A 7 8.228 -6.286 4.158 1.00 0.00 C ATOM 111 C GLY A 7 8.979 -6.612 2.871 1.00 0.00 C ATOM 112 O GLY A 7 10.142 -6.240 2.712 1.00 0.00 O ATOM 0 H GLY A 7 6.208 -5.938 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.305 -5.219 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.694 -6.807 4.994 1.00 0.00 H new ATOM 116 N LYS A 8 8.315 -7.309 1.956 1.00 0.00 N ATOM 117 CA LYS A 8 8.943 -7.675 0.692 1.00 0.00 C ATOM 118 C LYS A 8 7.998 -7.419 -0.478 1.00 0.00 C ATOM 119 O LYS A 8 6.911 -7.991 -0.545 1.00 0.00 O ATOM 120 CB LYS A 8 9.338 -9.154 0.712 1.00 0.00 C ATOM 121 CG LYS A 8 9.382 -9.652 2.158 1.00 0.00 C ATOM 122 CD LYS A 8 9.696 -11.150 2.172 1.00 0.00 C ATOM 123 CE LYS A 8 11.205 -11.354 2.316 1.00 0.00 C ATOM 124 NZ LYS A 8 11.572 -11.345 3.760 1.00 0.00 N ATOM 0 H LYS A 8 7.352 -7.629 2.063 1.00 0.00 H new ATOM 0 HA LYS A 8 9.834 -7.060 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.622 -9.740 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.312 -9.288 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.140 -9.105 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.426 -9.465 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.173 -11.634 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.342 -11.615 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.500 -12.299 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.741 -10.565 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.598 -11.484 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.304 -10.432 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.070 -12.113 4.250 1.00 0.00 H new ATOM 138 N VAL A 9 8.420 -6.560 -1.399 1.00 0.00 N ATOM 139 CA VAL A 9 7.600 -6.246 -2.562 1.00 0.00 C ATOM 140 C VAL A 9 6.940 -7.512 -3.095 1.00 0.00 C ATOM 141 O VAL A 9 7.513 -8.221 -3.921 1.00 0.00 O ATOM 142 CB VAL A 9 8.458 -5.615 -3.659 1.00 0.00 C ATOM 143 CG1 VAL A 9 8.272 -4.098 -3.643 1.00 0.00 C ATOM 144 CG2 VAL A 9 9.930 -5.951 -3.414 1.00 0.00 C ATOM 0 H VAL A 9 9.316 -6.073 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 9 6.828 -5.538 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 9 8.153 -6.008 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.884 -3.648 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.223 -3.858 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.576 -3.704 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.541 -5.501 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.236 -5.559 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.063 -7.033 -3.427 1.00 0.00 H new ATOM 154 N VAL A 10 5.734 -7.795 -2.612 1.00 0.00 N ATOM 155 CA VAL A 10 5.013 -8.987 -3.046 1.00 0.00 C ATOM 156 C VAL A 10 3.829 -8.615 -3.933 1.00 0.00 C ATOM 157 O VAL A 10 3.163 -7.604 -3.707 1.00 0.00 O ATOM 158 CB VAL A 10 4.518 -9.770 -1.829 1.00 0.00 C ATOM 159 CG1 VAL A 10 5.715 -10.350 -1.069 1.00 0.00 C ATOM 160 CG2 VAL A 10 3.735 -8.835 -0.904 1.00 0.00 C ATOM 0 H VAL A 10 5.240 -7.223 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 10 5.698 -9.607 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 10 3.871 -10.582 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.360 -10.908 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.274 -11.017 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.364 -9.539 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.382 -9.393 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.383 -8.023 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.881 -8.422 -1.442 1.00 0.00 H new ATOM 170 N THR A 11 3.571 -9.441 -4.943 1.00 0.00 N ATOM 171 CA THR A 11 2.464 -9.194 -5.859 1.00 0.00 C ATOM 172 C THR A 11 1.130 -9.349 -5.139 1.00 0.00 C ATOM 173 O THR A 11 0.589 -10.451 -5.050 1.00 0.00 O ATOM 174 CB THR A 11 2.525 -10.175 -7.033 1.00 0.00 C ATOM 175 OG1 THR A 11 3.841 -10.191 -7.566 1.00 0.00 O ATOM 176 CG2 THR A 11 1.537 -9.739 -8.117 1.00 0.00 C ATOM 0 H THR A 11 4.111 -10.282 -5.147 1.00 0.00 H new ATOM 0 HA THR A 11 2.549 -8.174 -6.233 1.00 0.00 H new ATOM 0 HB THR A 11 2.261 -11.174 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.882 -10.820 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.581 -10.438 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.527 -9.728 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.797 -8.740 -8.466 1.00 0.00 H new ATOM 184 N CYS A 12 0.605 -8.241 -4.628 1.00 0.00 N ATOM 185 CA CYS A 12 -0.668 -8.272 -3.920 1.00 0.00 C ATOM 186 C CYS A 12 -1.649 -9.197 -4.633 1.00 0.00 C ATOM 187 O CYS A 12 -1.478 -9.509 -5.811 1.00 0.00 O ATOM 188 CB CYS A 12 -1.250 -6.861 -3.831 1.00 0.00 C ATOM 189 SG CYS A 12 -0.067 -5.780 -2.988 1.00 0.00 S ATOM 0 H CYS A 12 1.037 -7.319 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.499 -8.652 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.462 -6.479 -4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.195 -6.878 -3.289 1.00 0.00 H new ATOM 194 N HIS A 13 -2.673 -9.635 -3.909 1.00 0.00 N ATOM 195 CA HIS A 13 -3.673 -10.528 -4.477 1.00 0.00 C ATOM 196 C HIS A 13 -4.075 -10.084 -5.880 1.00 0.00 C ATOM 197 O HIS A 13 -3.765 -8.971 -6.304 1.00 0.00 O ATOM 198 CB HIS A 13 -4.903 -10.554 -3.572 1.00 0.00 C ATOM 199 CG HIS A 13 -4.596 -11.356 -2.338 1.00 0.00 C ATOM 200 ND1 HIS A 13 -4.619 -10.800 -1.069 1.00 0.00 N ATOM 201 CD2 HIS A 13 -4.250 -12.673 -2.166 1.00 0.00 C ATOM 202 CE1 HIS A 13 -4.296 -11.772 -0.195 1.00 0.00 C ATOM 203 NE2 HIS A 13 -4.061 -12.934 -0.811 1.00 0.00 N ATOM 0 H HIS A 13 -2.831 -9.387 -2.932 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.243 -11.527 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.188 -9.538 -3.298 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.749 -10.991 -4.102 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.840 -9.831 -0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.141 -13.397 -2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.234 -11.630 0.874 1.00 0.00 H new ATOM 211 N ARG A 14 -4.768 -10.967 -6.594 1.00 0.00 N ATOM 212 CA ARG A 14 -5.212 -10.662 -7.949 1.00 0.00 C ATOM 213 C ARG A 14 -6.287 -9.582 -7.929 1.00 0.00 C ATOM 214 O ARG A 14 -6.503 -8.888 -8.921 1.00 0.00 O ATOM 215 CB ARG A 14 -5.767 -11.925 -8.612 1.00 0.00 C ATOM 216 CG ARG A 14 -4.609 -12.791 -9.113 1.00 0.00 C ATOM 217 CD ARG A 14 -4.530 -12.706 -10.637 1.00 0.00 C ATOM 218 NE ARG A 14 -4.450 -11.311 -11.059 1.00 0.00 N ATOM 219 CZ ARG A 14 -3.284 -10.673 -11.099 1.00 0.00 C ATOM 220 NH1 ARG A 14 -2.187 -11.294 -10.762 1.00 0.00 N ATOM 221 NH2 ARG A 14 -3.238 -9.425 -11.476 1.00 0.00 N ATOM 0 H ARG A 14 -5.032 -11.893 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.357 -10.297 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.373 -12.486 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.419 -11.656 -9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.671 -12.454 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.754 -13.826 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.657 -13.253 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.406 -13.179 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.302 -10.818 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.223 -12.270 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.293 -10.804 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.096 -8.940 -11.740 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.344 -8.934 -11.507 1.00 0.00 H new ATOM 235 N ASP A 15 -6.956 -9.444 -6.790 1.00 0.00 N ATOM 236 CA ASP A 15 -8.007 -8.444 -6.648 1.00 0.00 C ATOM 237 C ASP A 15 -7.401 -7.074 -6.360 1.00 0.00 C ATOM 238 O ASP A 15 -7.784 -6.075 -6.969 1.00 0.00 O ATOM 239 CB ASP A 15 -8.952 -8.835 -5.511 1.00 0.00 C ATOM 240 CG ASP A 15 -9.921 -7.695 -5.225 1.00 0.00 C ATOM 241 OD1 ASP A 15 -10.515 -7.198 -6.168 1.00 0.00 O ATOM 242 OD2 ASP A 15 -10.056 -7.335 -4.068 1.00 0.00 O ATOM 0 H ASP A 15 -6.791 -10.008 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.567 -8.395 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.505 -9.735 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.378 -9.069 -4.614 1.00 0.00 H new ATOM 247 N MET A 16 -6.454 -7.034 -5.428 1.00 0.00 N ATOM 248 CA MET A 16 -5.801 -5.783 -5.070 1.00 0.00 C ATOM 249 C MET A 16 -5.028 -5.228 -6.262 1.00 0.00 C ATOM 250 O MET A 16 -4.077 -5.847 -6.740 1.00 0.00 O ATOM 251 CB MET A 16 -4.847 -6.016 -3.898 1.00 0.00 C ATOM 252 CG MET A 16 -5.657 -6.226 -2.617 1.00 0.00 C ATOM 253 SD MET A 16 -4.942 -7.592 -1.668 1.00 0.00 S ATOM 254 CE MET A 16 -5.329 -6.949 -0.021 1.00 0.00 C ATOM 0 H MET A 16 -6.124 -7.849 -4.911 1.00 0.00 H new ATOM 0 HA MET A 16 -6.563 -5.060 -4.779 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.221 -6.887 -4.092 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.179 -5.162 -3.783 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.656 -5.314 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.696 -6.445 -2.863 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.151 -7.725 0.724 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.694 -6.089 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.375 -6.646 0.015 1.00 0.00 H new ATOM 264 N LYS A 17 -5.445 -4.061 -6.741 1.00 0.00 N ATOM 265 CA LYS A 17 -4.786 -3.436 -7.883 1.00 0.00 C ATOM 266 C LYS A 17 -4.186 -2.089 -7.491 1.00 0.00 C ATOM 267 O LYS A 17 -3.691 -1.349 -8.342 1.00 0.00 O ATOM 268 CB LYS A 17 -5.795 -3.236 -9.016 1.00 0.00 C ATOM 269 CG LYS A 17 -5.078 -3.327 -10.365 1.00 0.00 C ATOM 270 CD LYS A 17 -5.834 -2.489 -11.398 1.00 0.00 C ATOM 271 CE LYS A 17 -5.724 -3.148 -12.774 1.00 0.00 C ATOM 272 NZ LYS A 17 -6.013 -2.137 -13.830 1.00 0.00 N ATOM 0 H LYS A 17 -6.230 -3.532 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.982 -4.091 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.578 -3.992 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.281 -2.266 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.053 -2.969 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.024 -4.366 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.881 -2.397 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.423 -1.480 -11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.725 -3.560 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.425 -3.979 -12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.939 -2.583 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.975 -1.764 -13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.327 -1.358 -13.762 1.00 0.00 H new ATOM 286 N PHE A 18 -4.232 -1.775 -6.200 1.00 0.00 N ATOM 287 CA PHE A 18 -3.688 -0.513 -5.712 1.00 0.00 C ATOM 288 C PHE A 18 -2.918 -0.724 -4.415 1.00 0.00 C ATOM 289 O PHE A 18 -3.402 -1.377 -3.491 1.00 0.00 O ATOM 290 CB PHE A 18 -4.816 0.489 -5.466 1.00 0.00 C ATOM 291 CG PHE A 18 -5.687 0.588 -6.695 1.00 0.00 C ATOM 292 CD1 PHE A 18 -5.253 1.327 -7.802 1.00 0.00 C ATOM 293 CD2 PHE A 18 -6.931 -0.052 -6.725 1.00 0.00 C ATOM 294 CE1 PHE A 18 -6.061 1.424 -8.940 1.00 0.00 C ATOM 295 CE2 PHE A 18 -7.741 0.045 -7.863 1.00 0.00 C ATOM 296 CZ PHE A 18 -7.306 0.783 -8.971 1.00 0.00 C ATOM 0 H PHE A 18 -4.637 -2.372 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.010 -0.123 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.413 0.176 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.400 1.467 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.294 1.823 -7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.266 -0.621 -5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.725 1.993 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.701 -0.449 -7.886 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.930 0.858 -9.849 1.00 0.00 H new ATOM 306 N CYS A 19 -1.726 -0.148 -4.349 1.00 0.00 N ATOM 307 CA CYS A 19 -0.900 -0.254 -3.155 1.00 0.00 C ATOM 308 C CYS A 19 -0.978 1.051 -2.383 1.00 0.00 C ATOM 309 O CYS A 19 -1.134 2.115 -2.979 1.00 0.00 O ATOM 310 CB CYS A 19 0.554 -0.537 -3.538 1.00 0.00 C ATOM 311 SG CYS A 19 0.621 -1.943 -4.674 1.00 0.00 S ATOM 0 H CYS A 19 -1.310 0.396 -5.105 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.264 -1.075 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.995 0.343 -4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.141 -0.750 -2.645 1.00 0.00 H new ATOM 316 N TYR A 20 -0.881 0.982 -1.064 1.00 0.00 N ATOM 317 CA TYR A 20 -0.960 2.198 -0.270 1.00 0.00 C ATOM 318 C TYR A 20 -0.008 2.158 0.918 1.00 0.00 C ATOM 319 O TYR A 20 0.300 1.094 1.454 1.00 0.00 O ATOM 320 CB TYR A 20 -2.392 2.402 0.226 1.00 0.00 C ATOM 321 CG TYR A 20 -2.717 1.372 1.279 1.00 0.00 C ATOM 322 CD1 TYR A 20 -3.139 0.093 0.900 1.00 0.00 C ATOM 323 CD2 TYR A 20 -2.598 1.697 2.636 1.00 0.00 C ATOM 324 CE1 TYR A 20 -3.442 -0.862 1.878 1.00 0.00 C ATOM 325 CE2 TYR A 20 -2.902 0.740 3.614 1.00 0.00 C ATOM 326 CZ TYR A 20 -3.323 -0.539 3.234 1.00 0.00 C ATOM 327 OH TYR A 20 -3.623 -1.481 4.196 1.00 0.00 O ATOM 0 H TYR A 20 -0.751 0.121 -0.532 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.666 3.031 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.505 3.405 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.091 2.318 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.231 -0.158 -0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.272 2.684 2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.768 -1.849 1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.811 0.990 4.661 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.486 -1.094 5.086 1.00 0.00 H new ATOM 337 N HIS A 21 0.445 3.339 1.326 1.00 0.00 N ATOM 338 CA HIS A 21 1.355 3.459 2.458 1.00 0.00 C ATOM 339 C HIS A 21 0.677 4.223 3.589 1.00 0.00 C ATOM 340 O HIS A 21 0.535 5.444 3.526 1.00 0.00 O ATOM 341 CB HIS A 21 2.624 4.196 2.030 1.00 0.00 C ATOM 342 CG HIS A 21 3.805 3.632 2.771 1.00 0.00 C ATOM 343 ND1 HIS A 21 3.962 2.272 2.987 1.00 0.00 N ATOM 344 CD2 HIS A 21 4.894 4.232 3.353 1.00 0.00 C ATOM 345 CE1 HIS A 21 5.106 2.099 3.674 1.00 0.00 C ATOM 346 NE2 HIS A 21 5.715 3.262 3.922 1.00 0.00 N ATOM 0 H HIS A 21 0.196 4.226 0.889 1.00 0.00 H new ATOM 0 HA HIS A 21 1.620 2.461 2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.772 4.093 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.526 5.262 2.237 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.085 5.295 3.367 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.486 1.137 3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.593 3.408 4.421 1.00 0.00 H new ATOM 354 N ASN A 22 0.253 3.499 4.615 1.00 0.00 N ATOM 355 CA ASN A 22 -0.419 4.122 5.747 1.00 0.00 C ATOM 356 C ASN A 22 0.581 4.851 6.637 1.00 0.00 C ATOM 357 O ASN A 22 1.668 4.344 6.912 1.00 0.00 O ATOM 358 CB ASN A 22 -1.156 3.063 6.567 1.00 0.00 C ATOM 359 CG ASN A 22 -1.973 3.733 7.667 1.00 0.00 C ATOM 360 OD1 ASN A 22 -1.410 4.245 8.635 1.00 0.00 O ATOM 361 ND2 ASN A 22 -3.274 3.758 7.578 1.00 0.00 N ATOM 0 H ASN A 22 0.361 2.487 4.688 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.136 4.846 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.811 2.480 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.441 2.368 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.827 4.202 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.739 3.333 6.775 1.00 0.00 H new ATOM 368 N THR A 23 0.200 6.040 7.086 1.00 0.00 N ATOM 369 CA THR A 23 1.064 6.834 7.949 1.00 0.00 C ATOM 370 C THR A 23 0.288 7.330 9.164 1.00 0.00 C ATOM 371 O THR A 23 0.809 8.097 9.974 1.00 0.00 O ATOM 372 CB THR A 23 1.625 8.029 7.174 1.00 0.00 C ATOM 373 OG1 THR A 23 0.669 8.458 6.214 1.00 0.00 O ATOM 374 CG2 THR A 23 2.917 7.621 6.465 1.00 0.00 C ATOM 0 H THR A 23 -0.697 6.474 6.868 1.00 0.00 H new ATOM 0 HA THR A 23 1.888 6.206 8.287 1.00 0.00 H new ATOM 0 HB THR A 23 1.837 8.844 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.025 9.224 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.314 8.473 5.914 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.649 7.293 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.710 6.806 5.772 1.00 0.00 H new ATOM 382 N GLY A 24 -0.960 6.887 9.286 1.00 0.00 N ATOM 383 CA GLY A 24 -1.796 7.297 10.409 1.00 0.00 C ATOM 384 C GLY A 24 -0.960 7.498 11.666 1.00 0.00 C ATOM 385 O GLY A 24 -0.834 8.614 12.171 1.00 0.00 O ATOM 0 H GLY A 24 -1.411 6.251 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.316 8.223 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.560 6.542 10.593 1.00 0.00 H new ATOM 389 N MET A 25 -0.389 6.409 12.165 1.00 0.00 N ATOM 390 CA MET A 25 0.439 6.467 13.365 1.00 0.00 C ATOM 391 C MET A 25 -0.277 7.217 14.485 1.00 0.00 C ATOM 392 O MET A 25 0.200 8.249 14.958 1.00 0.00 O ATOM 393 CB MET A 25 1.765 7.163 13.050 1.00 0.00 C ATOM 394 CG MET A 25 2.747 6.943 14.204 1.00 0.00 C ATOM 395 SD MET A 25 3.393 8.540 14.757 1.00 0.00 S ATOM 396 CE MET A 25 3.261 8.238 16.537 1.00 0.00 C ATOM 0 H MET A 25 -0.483 5.478 11.760 1.00 0.00 H new ATOM 0 HA MET A 25 0.631 5.446 13.697 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.183 6.769 12.123 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.600 8.230 12.898 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.248 6.435 15.029 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.565 6.299 13.882 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.614 9.114 17.082 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.220 8.044 16.797 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.869 7.374 16.806 1.00 0.00 H new ATOM 406 N PRO A 26 -1.404 6.715 14.912 1.00 0.00 N ATOM 407 CA PRO A 26 -2.204 7.346 16.003 1.00 0.00 C ATOM 408 C PRO A 26 -1.373 7.584 17.262 1.00 0.00 C ATOM 409 O PRO A 26 -0.261 7.071 17.390 1.00 0.00 O ATOM 410 CB PRO A 26 -3.320 6.334 16.277 1.00 0.00 C ATOM 411 CG PRO A 26 -3.426 5.505 15.041 1.00 0.00 C ATOM 412 CD PRO A 26 -2.039 5.493 14.400 1.00 0.00 C ATOM 0 HA PRO A 26 -2.576 8.329 15.714 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.084 5.716 17.144 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.262 6.839 16.492 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.750 4.492 15.281 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.165 5.923 14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.477 4.603 14.681 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.101 5.501 13.312 1.00 0.00 H new ATOM 420 N PHE A 27 -1.921 8.363 18.189 1.00 0.00 N ATOM 421 CA PHE A 27 -1.223 8.661 19.435 1.00 0.00 C ATOM 422 C PHE A 27 -1.068 7.397 20.275 1.00 0.00 C ATOM 423 O PHE A 27 -0.587 6.374 19.788 1.00 0.00 O ATOM 424 CB PHE A 27 -1.997 9.715 20.227 1.00 0.00 C ATOM 425 CG PHE A 27 -2.227 10.929 19.356 1.00 0.00 C ATOM 426 CD1 PHE A 27 -3.372 11.009 18.553 1.00 0.00 C ATOM 427 CD2 PHE A 27 -1.294 11.973 19.351 1.00 0.00 C ATOM 428 CE1 PHE A 27 -3.583 12.133 17.746 1.00 0.00 C ATOM 429 CE2 PHE A 27 -1.506 13.096 18.543 1.00 0.00 C ATOM 430 CZ PHE A 27 -2.650 13.176 17.740 1.00 0.00 C ATOM 0 H PHE A 27 -2.840 8.797 18.103 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.232 9.046 19.194 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.951 9.307 20.561 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.440 9.995 21.121 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.092 10.204 18.557 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.411 11.912 19.970 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.466 12.195 17.128 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.787 13.901 18.539 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.812 14.042 17.116 1.00 0.00 H new ATOM 440 N ARG A 28 -1.477 7.473 21.537 1.00 0.00 N ATOM 441 CA ARG A 28 -1.375 6.325 22.431 1.00 0.00 C ATOM 442 C ARG A 28 -1.942 5.077 21.763 1.00 0.00 C ATOM 443 O ARG A 28 -3.119 4.754 21.924 1.00 0.00 O ATOM 444 CB ARG A 28 -2.138 6.602 23.728 1.00 0.00 C ATOM 445 CG ARG A 28 -1.370 6.004 24.909 1.00 0.00 C ATOM 446 CD ARG A 28 -2.353 5.614 26.013 1.00 0.00 C ATOM 447 NE ARG A 28 -1.666 5.538 27.296 1.00 0.00 N ATOM 448 CZ ARG A 28 -0.886 4.506 27.601 1.00 0.00 C ATOM 449 NH1 ARG A 28 -0.717 3.539 26.740 1.00 0.00 N ATOM 450 NH2 ARG A 28 -0.287 4.460 28.759 1.00 0.00 N ATOM 0 H ARG A 28 -1.879 8.309 21.961 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.322 6.157 22.659 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.262 7.676 23.867 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.137 6.170 23.674 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.806 5.130 24.584 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.647 6.726 25.289 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.159 6.346 26.067 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.810 4.652 25.780 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.786 6.291 27.973 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.184 3.576 25.834 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.118 2.747 26.974 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.417 5.216 29.431 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.311 3.668 28.992 1.00 0.00 H new ATOM 464 N ASN A 29 -1.097 4.377 21.013 1.00 0.00 N ATOM 465 CA ASN A 29 -1.526 3.166 20.325 1.00 0.00 C ATOM 466 C ASN A 29 -0.355 2.206 20.146 1.00 0.00 C ATOM 467 O ASN A 29 0.654 2.303 20.846 1.00 0.00 O ATOM 468 CB ASN A 29 -2.113 3.523 18.958 1.00 0.00 C ATOM 469 CG ASN A 29 -3.403 4.315 19.136 1.00 0.00 C ATOM 470 OD1 ASN A 29 -3.365 5.487 19.512 1.00 0.00 O ATOM 471 ND2 ASN A 29 -4.549 3.743 18.887 1.00 0.00 N ATOM 0 H ASN A 29 -0.119 4.625 20.867 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.289 2.677 20.931 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.393 4.108 18.385 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.310 2.614 18.389 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.416 4.267 19.004 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.577 2.772 18.576 1.00 0.00 H new ATOM 478 N LEU A 30 -0.495 1.277 19.207 1.00 0.00 N ATOM 479 CA LEU A 30 0.558 0.303 18.946 1.00 0.00 C ATOM 480 C LEU A 30 0.558 -0.106 17.476 1.00 0.00 C ATOM 481 O LEU A 30 1.526 -0.686 16.984 1.00 0.00 O ATOM 482 CB LEU A 30 0.353 -0.933 19.825 1.00 0.00 C ATOM 483 CG LEU A 30 1.710 -1.444 20.311 1.00 0.00 C ATOM 484 CD1 LEU A 30 2.083 -0.743 21.619 1.00 0.00 C ATOM 485 CD2 LEU A 30 1.629 -2.953 20.549 1.00 0.00 C ATOM 0 H LEU A 30 -1.321 1.178 18.617 1.00 0.00 H new ATOM 0 HA LEU A 30 1.519 0.760 19.182 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.281 -0.686 20.677 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.160 -1.712 19.261 1.00 0.00 H new ATOM 0 HG LEU A 30 2.468 -1.233 19.557 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.050 -1.108 21.964 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.140 0.333 21.452 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.325 -0.954 22.374 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.595 -3.319 20.895 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.870 -3.162 21.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.364 -3.454 19.618 1.00 0.00 H new ATOM 497 N LYS A 31 -0.531 0.201 16.780 1.00 0.00 N ATOM 498 CA LYS A 31 -0.643 -0.137 15.366 1.00 0.00 C ATOM 499 C LYS A 31 0.136 0.863 14.518 1.00 0.00 C ATOM 500 O LYS A 31 -0.445 1.764 13.913 1.00 0.00 O ATOM 501 CB LYS A 31 -2.113 -0.139 14.941 1.00 0.00 C ATOM 502 CG LYS A 31 -2.842 -1.296 15.628 1.00 0.00 C ATOM 503 CD LYS A 31 -2.535 -2.602 14.892 1.00 0.00 C ATOM 504 CE LYS A 31 -3.501 -3.693 15.359 1.00 0.00 C ATOM 505 NZ LYS A 31 -4.366 -4.111 14.219 1.00 0.00 N ATOM 0 H LYS A 31 -1.344 0.680 17.168 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.224 -1.132 15.213 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.581 0.809 15.207 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.189 -0.239 13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.528 -1.371 16.669 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.916 -1.112 15.631 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.628 -2.456 13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.506 -2.906 15.084 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.944 -4.549 15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.116 -3.323 16.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.023 -4.853 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.908 -3.292 13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.772 -4.480 13.450 1.00 0.00 H new ATOM 519 N LEU A 32 1.455 0.702 14.486 1.00 0.00 N ATOM 520 CA LEU A 32 2.308 1.601 13.716 1.00 0.00 C ATOM 521 C LEU A 32 1.963 1.540 12.232 1.00 0.00 C ATOM 522 O LEU A 32 0.834 1.222 11.857 1.00 0.00 O ATOM 523 CB LEU A 32 3.779 1.228 13.920 1.00 0.00 C ATOM 524 CG LEU A 32 4.075 1.118 15.418 1.00 0.00 C ATOM 525 CD1 LEU A 32 5.104 0.012 15.657 1.00 0.00 C ATOM 526 CD2 LEU A 32 4.633 2.450 15.925 1.00 0.00 C ATOM 0 H LEU A 32 1.954 -0.037 14.981 1.00 0.00 H new ATOM 0 HA LEU A 32 2.139 2.618 14.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.997 0.282 13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.423 1.981 13.466 1.00 0.00 H new ATOM 0 HG LEU A 32 3.156 0.879 15.953 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.314 -0.065 16.724 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.709 -0.937 15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.024 0.249 15.123 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.844 2.374 16.992 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.552 2.687 15.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.901 3.239 15.756 1.00 0.00 H new ATOM 538 N ILE A 33 2.943 1.853 11.392 1.00 0.00 N ATOM 539 CA ILE A 33 2.741 1.842 9.951 1.00 0.00 C ATOM 540 C ILE A 33 1.759 0.750 9.550 1.00 0.00 C ATOM 541 O ILE A 33 1.782 -0.354 10.096 1.00 0.00 O ATOM 542 CB ILE A 33 4.073 1.623 9.235 1.00 0.00 C ATOM 543 CG1 ILE A 33 4.936 2.879 9.383 1.00 0.00 C ATOM 544 CG2 ILE A 33 3.815 1.349 7.752 1.00 0.00 C ATOM 545 CD1 ILE A 33 6.279 2.667 8.683 1.00 0.00 C ATOM 0 H ILE A 33 3.884 2.117 11.685 1.00 0.00 H new ATOM 0 HA ILE A 33 2.327 2.807 9.659 1.00 0.00 H new ATOM 0 HB ILE A 33 4.591 0.770 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.422 3.738 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.096 3.100 10.438 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.765 1.193 7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.196 0.458 7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.300 2.201 7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.891 3.563 8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.795 1.819 9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.110 2.468 7.625 1.00 0.00 H new ATOM 557 N LEU A 34 0.897 1.068 8.595 1.00 0.00 N ATOM 558 CA LEU A 34 -0.097 0.113 8.125 1.00 0.00 C ATOM 559 C LEU A 34 -0.049 -0.005 6.606 1.00 0.00 C ATOM 560 O LEU A 34 -1.041 0.241 5.920 1.00 0.00 O ATOM 561 CB LEU A 34 -1.490 0.557 8.578 1.00 0.00 C ATOM 562 CG LEU A 34 -1.880 -0.200 9.850 1.00 0.00 C ATOM 563 CD1 LEU A 34 -2.723 0.708 10.744 1.00 0.00 C ATOM 564 CD2 LEU A 34 -2.686 -1.445 9.476 1.00 0.00 C ATOM 0 H LEU A 34 0.865 1.976 8.132 1.00 0.00 H new ATOM 0 HA LEU A 34 0.124 -0.866 8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.498 1.631 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.218 0.365 7.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.980 -0.500 10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.001 0.170 11.650 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.146 1.593 11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.624 1.009 10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.964 -1.984 10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.587 -1.148 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.082 -2.092 8.840 1.00 0.00 H new ATOM 576 N GLN A 35 1.115 -0.389 6.092 1.00 0.00 N ATOM 577 CA GLN A 35 1.294 -0.547 4.653 1.00 0.00 C ATOM 578 C GLN A 35 0.643 -1.838 4.168 1.00 0.00 C ATOM 579 O GLN A 35 0.707 -2.869 4.839 1.00 0.00 O ATOM 580 CB GLN A 35 2.785 -0.575 4.316 1.00 0.00 C ATOM 581 CG GLN A 35 3.451 -1.734 5.061 1.00 0.00 C ATOM 582 CD GLN A 35 4.947 -1.756 4.768 1.00 0.00 C ATOM 583 OE1 GLN A 35 5.371 -1.508 3.560 1.00 0.00 O flip ATOM 584 NE2 GLN A 35 5.752 -2.005 5.666 1.00 0.00 N flip ATOM 0 H GLN A 35 1.945 -0.596 6.648 1.00 0.00 H new ATOM 0 HA GLN A 35 0.819 0.297 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.924 -0.691 3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.251 0.369 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.284 -1.631 6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.999 -2.679 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.419 -2.199 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.752 -2.017 5.465 1.00 0.00 H new ATOM 593 N GLY A 36 0.018 -1.773 2.998 1.00 0.00 N ATOM 594 CA GLY A 36 -0.642 -2.940 2.422 1.00 0.00 C ATOM 595 C GLY A 36 -1.331 -2.576 1.110 1.00 0.00 C ATOM 596 O GLY A 36 -1.231 -1.442 0.641 1.00 0.00 O ATOM 0 H GLY A 36 -0.046 -0.928 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.090 -3.729 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.375 -3.334 3.126 1.00 0.00 H new ATOM 600 N CYS A 37 -2.032 -3.540 0.520 1.00 0.00 N ATOM 601 CA CYS A 37 -2.732 -3.294 -0.735 1.00 0.00 C ATOM 602 C CYS A 37 -4.233 -3.198 -0.498 1.00 0.00 C ATOM 603 O CYS A 37 -4.728 -3.555 0.571 1.00 0.00 O ATOM 604 CB CYS A 37 -2.451 -4.418 -1.735 1.00 0.00 C ATOM 605 SG CYS A 37 -0.964 -5.321 -1.239 1.00 0.00 S ATOM 0 H CYS A 37 -2.130 -4.487 0.886 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.370 -2.350 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.302 -5.098 -1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.320 -4.004 -2.735 1.00 0.00 H new ATOM 610 N SER A 38 -4.952 -2.715 -1.504 1.00 0.00 N ATOM 611 CA SER A 38 -6.398 -2.577 -1.393 1.00 0.00 C ATOM 612 C SER A 38 -7.011 -2.235 -2.746 1.00 0.00 C ATOM 613 O SER A 38 -6.574 -1.301 -3.420 1.00 0.00 O ATOM 614 CB SER A 38 -6.738 -1.482 -0.382 1.00 0.00 C ATOM 615 OG SER A 38 -7.930 -1.833 0.307 1.00 0.00 O ATOM 0 H SER A 38 -4.562 -2.415 -2.397 1.00 0.00 H new ATOM 0 HA SER A 38 -6.811 -3.527 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.918 -1.357 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.867 -0.527 -0.892 1.00 0.00 H new ATOM 0 HG SER A 38 -8.150 -1.134 0.957 1.00 0.00 H new ATOM 621 N SER A 39 -8.025 -2.998 -3.140 1.00 0.00 N ATOM 622 CA SER A 39 -8.692 -2.767 -4.415 1.00 0.00 C ATOM 623 C SER A 39 -9.372 -1.403 -4.426 1.00 0.00 C ATOM 624 O SER A 39 -9.444 -0.742 -5.463 1.00 0.00 O ATOM 625 CB SER A 39 -9.731 -3.860 -4.666 1.00 0.00 C ATOM 626 OG SER A 39 -9.154 -4.879 -5.471 1.00 0.00 O ATOM 0 H SER A 39 -8.401 -3.777 -2.599 1.00 0.00 H new ATOM 0 HA SER A 39 -7.942 -2.791 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.072 -4.278 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.606 -3.440 -5.162 1.00 0.00 H new ATOM 0 HG SER A 39 -8.530 -4.477 -6.110 1.00 0.00 H new ATOM 632 N SER A 40 -9.872 -0.986 -3.266 1.00 0.00 N ATOM 633 CA SER A 40 -10.545 0.304 -3.156 1.00 0.00 C ATOM 634 C SER A 40 -9.851 1.187 -2.124 1.00 0.00 C ATOM 635 O SER A 40 -10.500 1.769 -1.254 1.00 0.00 O ATOM 636 CB SER A 40 -12.005 0.095 -2.752 1.00 0.00 C ATOM 637 OG SER A 40 -12.593 -0.875 -3.608 1.00 0.00 O ATOM 0 H SER A 40 -9.825 -1.517 -2.397 1.00 0.00 H new ATOM 0 HA SER A 40 -10.502 0.799 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.064 -0.235 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.552 1.036 -2.819 1.00 0.00 H new ATOM 0 HG SER A 40 -13.529 -1.013 -3.351 1.00 0.00 H new ATOM 643 N CYS A 41 -8.530 1.284 -2.226 1.00 0.00 N ATOM 644 CA CYS A 41 -7.762 2.101 -1.294 1.00 0.00 C ATOM 645 C CYS A 41 -8.383 3.489 -1.170 1.00 0.00 C ATOM 646 O CYS A 41 -8.669 4.142 -2.172 1.00 0.00 O ATOM 647 CB CYS A 41 -6.316 2.230 -1.777 1.00 0.00 C ATOM 648 SG CYS A 41 -5.402 3.320 -0.659 1.00 0.00 S ATOM 0 H CYS A 41 -7.973 0.812 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.775 1.616 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.844 1.248 -1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.294 2.630 -2.791 1.00 0.00 H new ATOM 653 N SER A 42 -8.589 3.931 0.067 1.00 0.00 N ATOM 654 CA SER A 42 -9.179 5.241 0.306 1.00 0.00 C ATOM 655 C SER A 42 -8.094 6.306 0.411 1.00 0.00 C ATOM 656 O SER A 42 -7.581 6.577 1.497 1.00 0.00 O ATOM 657 CB SER A 42 -10.000 5.216 1.595 1.00 0.00 C ATOM 658 OG SER A 42 -9.849 6.457 2.272 1.00 0.00 O ATOM 0 H SER A 42 -8.358 3.406 0.911 1.00 0.00 H new ATOM 0 HA SER A 42 -9.830 5.485 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.051 5.038 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.670 4.397 2.234 1.00 0.00 H new ATOM 0 HG SER A 42 -8.924 6.551 2.580 1.00 0.00 H new ATOM 664 N GLU A 43 -7.752 6.908 -0.722 1.00 0.00 N ATOM 665 CA GLU A 43 -6.726 7.944 -0.746 1.00 0.00 C ATOM 666 C GLU A 43 -6.967 8.960 0.365 1.00 0.00 C ATOM 667 O GLU A 43 -8.008 9.614 0.404 1.00 0.00 O ATOM 668 CB GLU A 43 -6.735 8.657 -2.099 1.00 0.00 C ATOM 669 CG GLU A 43 -6.285 7.683 -3.190 1.00 0.00 C ATOM 670 CD GLU A 43 -6.306 8.375 -4.549 1.00 0.00 C ATOM 671 OE1 GLU A 43 -6.494 9.581 -4.576 1.00 0.00 O ATOM 672 OE2 GLU A 43 -6.136 7.689 -5.544 1.00 0.00 O ATOM 0 H GLU A 43 -8.167 6.699 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.756 7.472 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.735 9.030 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.071 9.521 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.280 7.320 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.942 6.813 -3.206 1.00 0.00 H new ATOM 679 N THR A 44 -5.999 9.088 1.267 1.00 0.00 N ATOM 680 CA THR A 44 -6.124 10.032 2.372 1.00 0.00 C ATOM 681 C THR A 44 -4.759 10.334 2.980 1.00 0.00 C ATOM 682 O THR A 44 -3.857 9.496 2.957 1.00 0.00 O ATOM 683 CB THR A 44 -7.050 9.458 3.447 1.00 0.00 C ATOM 684 OG1 THR A 44 -7.842 8.422 2.883 1.00 0.00 O ATOM 685 CG2 THR A 44 -7.959 10.564 3.984 1.00 0.00 C ATOM 0 H THR A 44 -5.129 8.556 1.256 1.00 0.00 H new ATOM 0 HA THR A 44 -6.547 10.959 1.985 1.00 0.00 H new ATOM 0 HB THR A 44 -6.452 9.055 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.281 7.636 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.618 10.154 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.350 11.358 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.558 10.970 3.169 1.00 0.00 H new ATOM 693 N GLU A 45 -4.617 11.538 3.524 1.00 0.00 N ATOM 694 CA GLU A 45 -3.358 11.949 4.138 1.00 0.00 C ATOM 695 C GLU A 45 -2.793 10.830 5.006 1.00 0.00 C ATOM 696 O GLU A 45 -1.580 10.621 5.053 1.00 0.00 O ATOM 697 CB GLU A 45 -3.579 13.199 4.991 1.00 0.00 C ATOM 698 CG GLU A 45 -4.118 14.329 4.112 1.00 0.00 C ATOM 699 CD GLU A 45 -3.649 15.675 4.652 1.00 0.00 C ATOM 700 OE1 GLU A 45 -4.243 16.149 5.606 1.00 0.00 O ATOM 701 OE2 GLU A 45 -2.701 16.212 4.103 1.00 0.00 O ATOM 0 H GLU A 45 -5.353 12.243 3.553 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.644 12.171 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.282 12.983 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.643 13.503 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.774 14.199 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.207 14.296 4.089 1.00 0.00 H new ATOM 708 N ASN A 46 -3.679 10.114 5.692 1.00 0.00 N ATOM 709 CA ASN A 46 -3.258 9.017 6.556 1.00 0.00 C ATOM 710 C ASN A 46 -2.918 7.785 5.726 1.00 0.00 C ATOM 711 O ASN A 46 -1.980 7.051 6.039 1.00 0.00 O ATOM 712 CB ASN A 46 -4.375 8.677 7.544 1.00 0.00 C ATOM 713 CG ASN A 46 -4.048 7.383 8.284 1.00 0.00 C ATOM 714 OD1 ASN A 46 -3.091 6.693 7.936 1.00 0.00 O ATOM 715 ND2 ASN A 46 -4.790 7.013 9.292 1.00 0.00 N ATOM 0 H ASN A 46 -4.686 10.272 5.667 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.369 9.328 7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.499 9.491 8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.321 8.572 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.577 6.150 9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.583 7.587 9.579 1.00 0.00 H new ATOM 722 N ASN A 47 -3.688 7.564 4.668 1.00 0.00 N ATOM 723 CA ASN A 47 -3.466 6.418 3.797 1.00 0.00 C ATOM 724 C ASN A 47 -3.389 6.867 2.339 1.00 0.00 C ATOM 725 O ASN A 47 -4.397 7.252 1.746 1.00 0.00 O ATOM 726 CB ASN A 47 -4.603 5.407 3.980 1.00 0.00 C ATOM 727 CG ASN A 47 -4.875 4.666 2.674 1.00 0.00 C ATOM 728 OD1 ASN A 47 -3.963 4.083 2.092 1.00 0.00 O ATOM 729 ND2 ASN A 47 -6.083 4.654 2.180 1.00 0.00 N ATOM 0 H ASN A 47 -4.468 8.161 4.393 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.520 5.946 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.341 4.694 4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.506 5.922 4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.273 4.160 1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.837 5.139 2.666 1.00 0.00 H new ATOM 736 N LYS A 48 -2.189 6.817 1.767 1.00 0.00 N ATOM 737 CA LYS A 48 -1.998 7.225 0.377 1.00 0.00 C ATOM 738 C LYS A 48 -1.987 6.009 -0.540 1.00 0.00 C ATOM 739 O LYS A 48 -1.325 5.015 -0.256 1.00 0.00 O ATOM 740 CB LYS A 48 -0.680 7.987 0.228 1.00 0.00 C ATOM 741 CG LYS A 48 -0.596 9.083 1.289 1.00 0.00 C ATOM 742 CD LYS A 48 -1.128 10.395 0.708 1.00 0.00 C ATOM 743 CE LYS A 48 -0.059 11.026 -0.186 1.00 0.00 C ATOM 744 NZ LYS A 48 0.712 12.032 0.599 1.00 0.00 N ATOM 0 H LYS A 48 -1.341 6.501 2.238 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.826 7.875 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.161 7.302 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.613 8.425 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.176 8.800 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.436 9.209 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.035 10.209 0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.395 11.080 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.611 10.256 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.525 11.501 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.439 12.462 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.067 12.771 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.168 11.565 1.409 1.00 0.00 H new ATOM 758 N CYS A 49 -2.723 6.100 -1.642 1.00 0.00 N ATOM 759 CA CYS A 49 -2.796 5.000 -2.600 1.00 0.00 C ATOM 760 C CYS A 49 -1.933 5.287 -3.823 1.00 0.00 C ATOM 761 O CYS A 49 -2.003 6.368 -4.408 1.00 0.00 O ATOM 762 CB CYS A 49 -4.247 4.791 -3.036 1.00 0.00 C ATOM 763 SG CYS A 49 -5.347 5.092 -1.631 1.00 0.00 S ATOM 0 H CYS A 49 -3.276 6.919 -1.895 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.423 4.097 -2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.493 5.466 -3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.384 3.776 -3.408 1.00 0.00 H new ATOM 768 N CYS A 50 -1.125 4.305 -4.206 1.00 0.00 N ATOM 769 CA CYS A 50 -0.252 4.446 -5.364 1.00 0.00 C ATOM 770 C CYS A 50 -0.665 3.463 -6.456 1.00 0.00 C ATOM 771 O CYS A 50 -1.637 2.726 -6.302 1.00 0.00 O ATOM 772 CB CYS A 50 1.200 4.184 -4.959 1.00 0.00 C ATOM 773 SG CYS A 50 2.280 5.403 -5.747 1.00 0.00 S ATOM 0 H CYS A 50 -1.057 3.404 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.340 5.463 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.302 4.240 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.495 3.177 -5.255 1.00 0.00 H new ATOM 778 N SER A 51 0.080 3.454 -7.556 1.00 0.00 N ATOM 779 CA SER A 51 -0.223 2.552 -8.662 1.00 0.00 C ATOM 780 C SER A 51 1.053 2.165 -9.401 1.00 0.00 C ATOM 781 O SER A 51 1.015 1.802 -10.577 1.00 0.00 O ATOM 782 CB SER A 51 -1.193 3.221 -9.634 1.00 0.00 C ATOM 783 OG SER A 51 -0.891 4.607 -9.718 1.00 0.00 O ATOM 0 H SER A 51 0.891 4.055 -7.706 1.00 0.00 H new ATOM 0 HA SER A 51 -0.683 1.652 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.116 2.760 -10.619 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.220 3.080 -9.296 1.00 0.00 H new ATOM 0 HG SER A 51 -1.510 5.040 -10.342 1.00 0.00 H new ATOM 789 N THR A 52 2.182 2.245 -8.705 1.00 0.00 N ATOM 790 CA THR A 52 3.464 1.901 -9.308 1.00 0.00 C ATOM 791 C THR A 52 4.216 0.899 -8.437 1.00 0.00 C ATOM 792 O THR A 52 4.154 0.959 -7.209 1.00 0.00 O ATOM 793 CB THR A 52 4.309 3.163 -9.485 1.00 0.00 C ATOM 794 OG1 THR A 52 3.453 4.289 -9.620 1.00 0.00 O ATOM 795 CG2 THR A 52 5.178 3.026 -10.737 1.00 0.00 C ATOM 0 H THR A 52 2.236 2.542 -7.731 1.00 0.00 H new ATOM 0 HA THR A 52 3.278 1.448 -10.282 1.00 0.00 H new ATOM 0 HB THR A 52 4.950 3.297 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.291 4.685 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.780 3.926 -10.862 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.834 2.162 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.540 2.892 -11.610 1.00 0.00 H new ATOM 803 N ASP A 53 4.928 -0.019 -9.082 1.00 0.00 N ATOM 804 CA ASP A 53 5.691 -1.027 -8.357 1.00 0.00 C ATOM 805 C ASP A 53 6.819 -0.372 -7.567 1.00 0.00 C ATOM 806 O ASP A 53 7.692 0.282 -8.140 1.00 0.00 O ATOM 807 CB ASP A 53 6.274 -2.046 -9.337 1.00 0.00 C ATOM 808 CG ASP A 53 6.332 -1.446 -10.738 1.00 0.00 C ATOM 809 OD1 ASP A 53 6.642 -0.270 -10.846 1.00 0.00 O ATOM 810 OD2 ASP A 53 6.064 -2.170 -11.684 1.00 0.00 O ATOM 0 H ASP A 53 4.992 -0.086 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 53 5.022 -1.536 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.273 -2.341 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.662 -2.948 -9.344 1.00 0.00 H new ATOM 815 N ARG A 54 6.794 -0.547 -6.250 1.00 0.00 N ATOM 816 CA ARG A 54 7.821 0.037 -5.393 1.00 0.00 C ATOM 817 C ARG A 54 7.400 1.429 -4.930 1.00 0.00 C ATOM 818 O ARG A 54 8.236 2.242 -4.534 1.00 0.00 O ATOM 819 CB ARG A 54 9.144 0.132 -6.156 1.00 0.00 C ATOM 820 CG ARG A 54 10.315 0.073 -5.168 1.00 0.00 C ATOM 821 CD ARG A 54 10.575 -1.377 -4.749 1.00 0.00 C ATOM 822 NE ARG A 54 11.977 -1.719 -4.965 1.00 0.00 N ATOM 823 CZ ARG A 54 12.866 -1.645 -3.978 1.00 0.00 C ATOM 824 NH1 ARG A 54 12.491 -1.267 -2.786 1.00 0.00 N ATOM 825 NH2 ARG A 54 14.115 -1.951 -4.202 1.00 0.00 N ATOM 0 H ARG A 54 6.081 -1.083 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 54 7.949 -0.603 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.220 -0.684 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.181 1.061 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.210 0.494 -5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.092 0.679 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.318 -1.512 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.936 -2.049 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 54 12.281 -2.021 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.515 -1.028 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.174 -1.211 -2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.409 -2.246 -5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.797 -1.895 -3.446 1.00 0.00 H new ATOM 839 N CYS A 55 6.098 1.697 -4.984 1.00 0.00 N ATOM 840 CA CYS A 55 5.576 2.997 -4.572 1.00 0.00 C ATOM 841 C CYS A 55 5.720 3.184 -3.064 1.00 0.00 C ATOM 842 O CYS A 55 6.221 4.208 -2.600 1.00 0.00 O ATOM 843 CB CYS A 55 4.099 3.116 -4.961 1.00 0.00 C ATOM 844 SG CYS A 55 3.918 4.347 -6.276 1.00 0.00 S ATOM 0 H CYS A 55 5.390 1.037 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 55 6.151 3.772 -5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.722 2.150 -5.298 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.506 3.405 -4.094 1.00 0.00 H new ATOM 849 N ASN A 56 5.274 2.188 -2.306 1.00 0.00 N ATOM 850 CA ASN A 56 5.352 2.253 -0.851 1.00 0.00 C ATOM 851 C ASN A 56 6.708 1.755 -0.362 1.00 0.00 C ATOM 852 O ASN A 56 7.474 1.163 -1.122 1.00 0.00 O ATOM 853 CB ASN A 56 4.234 1.408 -0.235 1.00 0.00 C ATOM 854 CG ASN A 56 3.499 0.642 -1.330 1.00 0.00 C ATOM 855 OD1 ASN A 56 3.247 -0.555 -1.191 1.00 0.00 O ATOM 856 ND2 ASN A 56 3.137 1.265 -2.419 1.00 0.00 N ATOM 0 H ASN A 56 4.857 1.332 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 56 5.233 3.292 -0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.651 0.711 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.536 2.049 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.645 0.760 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.346 2.257 -2.533 1.00 0.00 H new ATOM 863 N LYS A 57 7.002 2.005 0.912 1.00 0.00 N ATOM 864 CA LYS A 57 8.271 1.580 1.494 1.00 0.00 C ATOM 865 C LYS A 57 8.034 0.656 2.685 1.00 0.00 C ATOM 866 O LYS A 57 7.593 -0.460 2.465 1.00 0.00 O ATOM 867 CB LYS A 57 9.073 2.804 1.946 1.00 0.00 C ATOM 868 CG LYS A 57 10.446 2.360 2.457 1.00 0.00 C ATOM 869 CD LYS A 57 11.484 3.437 2.134 1.00 0.00 C ATOM 870 CE LYS A 57 12.850 3.009 2.675 1.00 0.00 C ATOM 871 NZ LYS A 57 13.868 4.042 2.334 1.00 0.00 N ATOM 872 OXT LYS A 57 8.298 1.078 3.799 1.00 0.00 O ATOM 0 H LYS A 57 6.383 2.496 1.557 1.00 0.00 H new ATOM 0 HA LYS A 57 8.833 1.036 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.191 3.501 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.535 3.333 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.407 2.188 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.730 1.415 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.540 3.591 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.187 4.388 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.799 2.877 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.136 2.047 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.796 3.750 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.923 4.147 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.597 4.951 2.761 1.00 0.00 H new TER 886 LYS A 57