USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 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 35 GLN : amide:sc= -2.11! K(o=-6!,f=-8.8) USER MOD Set 1.2: A 56 ASN : amide:sc= -3.91! C(o=-6!,f=-8.8!) USER MOD Set 2.1: A 22 ASN : amide:sc= -12.3! C(o=-30!,f=-15!) USER MOD Set 2.2: A 23 THR OG1 : rot 140:sc= -0.682 USER MOD Set 2.3: A 46 ASN : amide:sc= -17.4! C(o=-30!,f=-19!) USER MOD Single : A 1 LEU N :NH3+ 151:sc= 0.0155 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -3.03! C(o=-3!,f=-3!) USER MOD Single : A 6 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0076) 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 HD1:sc= -2.7! C(o=-2.7!,f=-1.3!) 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 -17:sc= 1.3 USER MOD Single : A 21 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-6.4!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.72! C(o=-1.7!,f=-8.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0785 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 48:sc= -1.45! USER MOD Single : A 47 ASN : amide:sc= -2.35 X(o=-2.3,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -121:sc= 1.18 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -139:sc= -3.16! (180deg=-6.27!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.659 -5.860 -10.769 1.00 0.00 N ATOM 2 CA LEU A 1 1.505 -4.919 -9.623 1.00 0.00 C ATOM 3 C LEU A 1 2.051 -5.571 -8.357 1.00 0.00 C ATOM 4 O LEU A 1 1.847 -6.762 -8.125 1.00 0.00 O ATOM 5 CB LEU A 1 0.023 -4.586 -9.439 1.00 0.00 C ATOM 6 CG LEU A 1 -0.233 -3.135 -9.848 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.700 -2.965 -10.241 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.088 -2.214 -8.669 1.00 0.00 C ATOM 0 H1 LEU A 1 0.909 -5.682 -11.467 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.588 -5.716 -11.214 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.588 -6.839 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 1 2.059 -4.001 -9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -0.588 -5.257 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.268 -4.738 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 1 0.401 -2.879 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.881 -1.930 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.931 -3.623 -11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.336 -3.220 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.093 -1.178 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.548 -2.472 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.134 -2.335 -8.387 1.00 0.00 H new ATOM 22 N LYS A 2 2.745 -4.783 -7.541 1.00 0.00 N ATOM 23 CA LYS A 2 3.314 -5.302 -6.303 1.00 0.00 C ATOM 24 C LYS A 2 3.635 -4.169 -5.335 1.00 0.00 C ATOM 25 O LYS A 2 3.708 -3.006 -5.725 1.00 0.00 O ATOM 26 CB LYS A 2 4.589 -6.094 -6.607 1.00 0.00 C ATOM 27 CG LYS A 2 5.680 -5.140 -7.098 1.00 0.00 C ATOM 28 CD LYS A 2 6.310 -5.695 -8.377 1.00 0.00 C ATOM 29 CE LYS A 2 7.676 -5.043 -8.599 1.00 0.00 C ATOM 30 NZ LYS A 2 8.201 -5.428 -9.940 1.00 0.00 N ATOM 0 H LYS A 2 2.925 -3.794 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 2 2.578 -5.958 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.926 -6.618 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.387 -6.852 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.256 -4.154 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.442 -5.017 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.420 -6.777 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.659 -5.500 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.589 -3.959 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.371 -5.358 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.130 -4.984 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.299 -6.462 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.541 -5.107 -10.677 1.00 0.00 H new ATOM 44 N CYS A 3 3.831 -4.522 -4.071 1.00 0.00 N ATOM 45 CA CYS A 3 4.151 -3.533 -3.049 1.00 0.00 C ATOM 46 C CYS A 3 4.599 -4.230 -1.767 1.00 0.00 C ATOM 47 O CYS A 3 4.857 -5.434 -1.764 1.00 0.00 O ATOM 48 CB CYS A 3 2.935 -2.646 -2.760 1.00 0.00 C ATOM 49 SG CYS A 3 1.517 -3.216 -3.731 1.00 0.00 S ATOM 0 H CYS A 3 3.774 -5.482 -3.730 1.00 0.00 H new ATOM 0 HA CYS A 3 4.962 -2.906 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.696 -2.676 -1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.163 -1.609 -3.006 1.00 0.00 H new ATOM 54 N TYR A 4 4.691 -3.469 -0.684 1.00 0.00 N ATOM 55 CA TYR A 4 5.111 -4.031 0.593 1.00 0.00 C ATOM 56 C TYR A 4 3.902 -4.371 1.450 1.00 0.00 C ATOM 57 O TYR A 4 3.377 -3.525 2.174 1.00 0.00 O ATOM 58 CB TYR A 4 6.010 -3.039 1.328 1.00 0.00 C ATOM 59 CG TYR A 4 7.377 -3.058 0.693 1.00 0.00 C ATOM 60 CD1 TYR A 4 8.212 -4.165 0.873 1.00 0.00 C ATOM 61 CD2 TYR A 4 7.804 -1.976 -0.085 1.00 0.00 C ATOM 62 CE1 TYR A 4 9.476 -4.191 0.277 1.00 0.00 C ATOM 63 CE2 TYR A 4 9.069 -2.002 -0.683 1.00 0.00 C ATOM 64 CZ TYR A 4 9.906 -3.110 -0.503 1.00 0.00 C ATOM 65 OH TYR A 4 11.154 -3.137 -1.092 1.00 0.00 O ATOM 0 H TYR A 4 4.483 -2.471 -0.663 1.00 0.00 H new ATOM 0 HA TYR A 4 5.670 -4.947 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.585 -2.036 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.080 -3.304 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.880 -5.000 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.158 -1.122 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.122 -5.045 0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.400 -1.167 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 4 11.294 -2.310 -1.599 1.00 0.00 H new ATOM 75 N GLN A 5 3.462 -5.618 1.352 1.00 0.00 N ATOM 76 CA GLN A 5 2.306 -6.075 2.115 1.00 0.00 C ATOM 77 C GLN A 5 2.742 -6.770 3.401 1.00 0.00 C ATOM 78 O GLN A 5 1.989 -6.823 4.373 1.00 0.00 O ATOM 79 CB GLN A 5 1.472 -7.039 1.268 1.00 0.00 C ATOM 80 CG GLN A 5 -0.004 -6.897 1.638 1.00 0.00 C ATOM 81 CD GLN A 5 -0.215 -7.292 3.095 1.00 0.00 C ATOM 82 OE1 GLN A 5 -0.637 -6.468 3.908 1.00 0.00 O ATOM 83 NE2 GLN A 5 0.055 -8.509 3.477 1.00 0.00 N ATOM 0 H GLN A 5 3.885 -6.329 0.755 1.00 0.00 H new ATOM 0 HA GLN A 5 1.705 -5.205 2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.614 -6.825 0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.802 -8.064 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.330 -5.869 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.613 -7.527 0.990 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.404 -9.190 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.083 -8.780 4.450 1.00 0.00 H new ATOM 92 N HIS A 6 3.959 -7.302 3.401 1.00 0.00 N ATOM 93 CA HIS A 6 4.481 -7.992 4.575 1.00 0.00 C ATOM 94 C HIS A 6 5.965 -7.695 4.756 1.00 0.00 C ATOM 95 O HIS A 6 6.771 -8.603 4.961 1.00 0.00 O ATOM 96 CB HIS A 6 4.275 -9.502 4.428 1.00 0.00 C ATOM 97 CG HIS A 6 4.104 -10.121 5.789 1.00 0.00 C ATOM 98 ND1 HIS A 6 4.943 -11.121 6.256 1.00 0.00 N ATOM 99 CD2 HIS A 6 3.194 -9.896 6.790 1.00 0.00 C ATOM 100 CE1 HIS A 6 4.525 -11.456 7.490 1.00 0.00 C ATOM 101 NE2 HIS A 6 3.461 -10.739 7.865 1.00 0.00 N ATOM 0 H HIS A 6 4.599 -7.270 2.607 1.00 0.00 H new ATOM 0 HA HIS A 6 3.941 -7.635 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.397 -9.702 3.813 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.129 -9.948 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.392 -9.174 6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 6 4.992 -12.212 8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.954 -10.797 8.748 1.00 0.00 H new ATOM 109 N GLY A 7 6.322 -6.418 4.673 1.00 0.00 N ATOM 110 CA GLY A 7 7.714 -6.013 4.824 1.00 0.00 C ATOM 111 C GLY A 7 8.488 -6.254 3.533 1.00 0.00 C ATOM 112 O GLY A 7 9.447 -5.545 3.230 1.00 0.00 O ATOM 0 H GLY A 7 5.672 -5.651 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.764 -4.958 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.174 -6.571 5.639 1.00 0.00 H new ATOM 116 N LYS A 8 8.060 -7.260 2.776 1.00 0.00 N ATOM 117 CA LYS A 8 8.716 -7.590 1.516 1.00 0.00 C ATOM 118 C LYS A 8 7.830 -7.211 0.334 1.00 0.00 C ATOM 119 O LYS A 8 6.631 -6.981 0.494 1.00 0.00 O ATOM 120 CB LYS A 8 9.018 -9.088 1.463 1.00 0.00 C ATOM 121 CG LYS A 8 9.113 -9.639 2.887 1.00 0.00 C ATOM 122 CD LYS A 8 9.731 -11.037 2.852 1.00 0.00 C ATOM 123 CE LYS A 8 10.458 -11.307 4.169 1.00 0.00 C ATOM 124 NZ LYS A 8 10.277 -12.735 4.551 1.00 0.00 N ATOM 0 H LYS A 8 7.267 -7.857 3.011 1.00 0.00 H new ATOM 0 HA LYS A 8 9.647 -7.026 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.235 -9.609 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.953 -9.263 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.720 -8.977 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.122 -9.679 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.955 -11.785 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.427 -11.118 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.519 -11.079 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.068 -10.657 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.771 -12.920 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.263 -12.938 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.670 -13.346 3.807 1.00 0.00 H new ATOM 138 N VAL A 9 8.427 -7.149 -0.852 1.00 0.00 N ATOM 139 CA VAL A 9 7.680 -6.797 -2.055 1.00 0.00 C ATOM 140 C VAL A 9 6.876 -7.992 -2.558 1.00 0.00 C ATOM 141 O VAL A 9 7.420 -8.890 -3.201 1.00 0.00 O ATOM 142 CB VAL A 9 8.641 -6.332 -3.150 1.00 0.00 C ATOM 143 CG1 VAL A 9 7.875 -6.167 -4.464 1.00 0.00 C ATOM 144 CG2 VAL A 9 9.258 -4.992 -2.750 1.00 0.00 C ATOM 0 H VAL A 9 9.418 -7.336 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 9 6.992 -5.989 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 9 9.430 -7.072 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.559 -5.836 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.433 -7.122 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.086 -5.426 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.943 -4.660 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.468 -4.252 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.803 -5.108 -1.813 1.00 0.00 H new ATOM 154 N VAL A 10 5.581 -7.995 -2.266 1.00 0.00 N ATOM 155 CA VAL A 10 4.714 -9.086 -2.700 1.00 0.00 C ATOM 156 C VAL A 10 3.749 -8.600 -3.778 1.00 0.00 C ATOM 157 O VAL A 10 3.456 -7.409 -3.867 1.00 0.00 O ATOM 158 CB VAL A 10 3.926 -9.637 -1.512 1.00 0.00 C ATOM 159 CG1 VAL A 10 4.508 -10.990 -1.095 1.00 0.00 C ATOM 160 CG2 VAL A 10 4.020 -8.662 -0.338 1.00 0.00 C ATOM 0 H VAL A 10 5.110 -7.262 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 10 5.337 -9.879 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 10 2.882 -9.762 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.946 -11.382 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.441 -11.688 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.553 -10.865 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.458 -9.056 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.064 -8.536 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.605 -7.698 -0.632 1.00 0.00 H new ATOM 170 N THR A 11 3.264 -9.528 -4.598 1.00 0.00 N ATOM 171 CA THR A 11 2.340 -9.171 -5.669 1.00 0.00 C ATOM 172 C THR A 11 0.890 -9.368 -5.241 1.00 0.00 C ATOM 173 O THR A 11 0.307 -10.428 -5.463 1.00 0.00 O ATOM 174 CB THR A 11 2.615 -10.026 -6.908 1.00 0.00 C ATOM 175 OG1 THR A 11 3.829 -9.604 -7.512 1.00 0.00 O ATOM 176 CG2 THR A 11 1.463 -9.863 -7.901 1.00 0.00 C ATOM 0 H THR A 11 3.492 -10.521 -4.543 1.00 0.00 H new ATOM 0 HA THR A 11 2.496 -8.117 -5.901 1.00 0.00 H new ATOM 0 HB THR A 11 2.700 -11.074 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.008 -10.152 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.656 -10.471 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.532 -10.186 -7.435 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.379 -8.816 -8.192 1.00 0.00 H new ATOM 184 N CYS A 12 0.304 -8.336 -4.642 1.00 0.00 N ATOM 185 CA CYS A 12 -1.087 -8.417 -4.215 1.00 0.00 C ATOM 186 C CYS A 12 -1.969 -8.766 -5.410 1.00 0.00 C ATOM 187 O CYS A 12 -1.535 -8.666 -6.558 1.00 0.00 O ATOM 188 CB CYS A 12 -1.538 -7.085 -3.610 1.00 0.00 C ATOM 189 SG CYS A 12 -0.153 -6.319 -2.730 1.00 0.00 S ATOM 0 H CYS A 12 0.763 -7.447 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.178 -9.194 -3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.896 -6.420 -4.396 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.371 -7.248 -2.926 1.00 0.00 H new ATOM 194 N HIS A 13 -3.202 -9.179 -5.143 1.00 0.00 N ATOM 195 CA HIS A 13 -4.114 -9.539 -6.219 1.00 0.00 C ATOM 196 C HIS A 13 -5.502 -9.848 -5.673 1.00 0.00 C ATOM 197 O HIS A 13 -5.937 -9.260 -4.683 1.00 0.00 O ATOM 198 CB HIS A 13 -3.575 -10.759 -6.968 1.00 0.00 C ATOM 199 CG HIS A 13 -4.049 -10.721 -8.394 1.00 0.00 C ATOM 200 ND1 HIS A 13 -3.357 -11.344 -9.422 1.00 0.00 N ATOM 201 CD2 HIS A 13 -5.143 -10.135 -8.979 1.00 0.00 C ATOM 202 CE1 HIS A 13 -4.038 -11.121 -10.561 1.00 0.00 C ATOM 203 NE2 HIS A 13 -5.135 -10.390 -10.348 1.00 0.00 N ATOM 0 H HIS A 13 -3.589 -9.272 -4.204 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.190 -8.693 -6.902 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.486 -10.767 -6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.915 -11.675 -6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.896 -9.563 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.734 -11.489 -11.530 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -5.820 -10.084 -11.039 1.00 0.00 H new ATOM 211 N ARG A 14 -6.195 -10.775 -6.328 1.00 0.00 N ATOM 212 CA ARG A 14 -7.534 -11.154 -5.899 1.00 0.00 C ATOM 213 C ARG A 14 -8.474 -9.954 -5.972 1.00 0.00 C ATOM 214 O ARG A 14 -9.680 -10.082 -5.765 1.00 0.00 O ATOM 215 CB ARG A 14 -7.486 -11.689 -4.466 1.00 0.00 C ATOM 216 CG ARG A 14 -7.935 -13.152 -4.446 1.00 0.00 C ATOM 217 CD ARG A 14 -9.454 -13.225 -4.612 1.00 0.00 C ATOM 218 NE ARG A 14 -10.041 -13.996 -3.523 1.00 0.00 N ATOM 219 CZ ARG A 14 -9.909 -15.317 -3.470 1.00 0.00 C ATOM 220 NH1 ARG A 14 -9.249 -15.943 -4.406 1.00 0.00 N ATOM 221 NH2 ARG A 14 -10.441 -15.987 -2.485 1.00 0.00 N ATOM 0 H ARG A 14 -5.854 -11.273 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.908 -11.933 -6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.474 -11.604 -4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.132 -11.092 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.445 -13.704 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.639 -13.621 -3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.875 -12.220 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.701 -13.686 -5.568 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.561 -13.514 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.835 -15.418 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.147 -16.957 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.958 -15.497 -1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.340 -17.001 -2.445 1.00 0.00 H new ATOM 235 N ASP A 15 -7.908 -8.788 -6.272 1.00 0.00 N ATOM 236 CA ASP A 15 -8.699 -7.567 -6.372 1.00 0.00 C ATOM 237 C ASP A 15 -7.819 -6.342 -6.147 1.00 0.00 C ATOM 238 O ASP A 15 -8.009 -5.303 -6.778 1.00 0.00 O ATOM 239 CB ASP A 15 -9.824 -7.587 -5.337 1.00 0.00 C ATOM 240 CG ASP A 15 -11.115 -8.076 -5.983 1.00 0.00 C ATOM 241 OD1 ASP A 15 -11.490 -7.521 -7.003 1.00 0.00 O ATOM 242 OD2 ASP A 15 -11.709 -8.998 -5.450 1.00 0.00 O ATOM 0 H ASP A 15 -6.911 -8.664 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.129 -7.514 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.554 -8.238 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.969 -6.588 -4.925 1.00 0.00 H new ATOM 247 N MET A 16 -6.857 -6.474 -5.241 1.00 0.00 N ATOM 248 CA MET A 16 -5.952 -5.378 -4.933 1.00 0.00 C ATOM 249 C MET A 16 -5.188 -4.944 -6.181 1.00 0.00 C ATOM 250 O MET A 16 -4.372 -5.695 -6.713 1.00 0.00 O ATOM 251 CB MET A 16 -4.965 -5.819 -3.852 1.00 0.00 C ATOM 252 CG MET A 16 -5.714 -6.027 -2.535 1.00 0.00 C ATOM 253 SD MET A 16 -4.830 -7.237 -1.520 1.00 0.00 S ATOM 254 CE MET A 16 -6.110 -7.449 -0.257 1.00 0.00 C ATOM 0 H MET A 16 -6.685 -7.327 -4.709 1.00 0.00 H new ATOM 0 HA MET A 16 -6.537 -4.532 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.470 -6.743 -4.151 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.187 -5.066 -3.726 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.799 -5.081 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.728 -6.374 -2.732 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.771 -8.169 0.488 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.306 -6.492 0.226 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.025 -7.814 -0.724 1.00 0.00 H new ATOM 264 N LYS A 17 -5.463 -3.729 -6.644 1.00 0.00 N ATOM 265 CA LYS A 17 -4.797 -3.207 -7.832 1.00 0.00 C ATOM 266 C LYS A 17 -4.014 -1.940 -7.497 1.00 0.00 C ATOM 267 O LYS A 17 -3.325 -1.382 -8.350 1.00 0.00 O ATOM 268 CB LYS A 17 -5.832 -2.894 -8.914 1.00 0.00 C ATOM 269 CG LYS A 17 -5.943 -4.077 -9.877 1.00 0.00 C ATOM 270 CD LYS A 17 -6.921 -3.728 -11.001 1.00 0.00 C ATOM 271 CE LYS A 17 -6.143 -3.470 -12.292 1.00 0.00 C ATOM 272 NZ LYS A 17 -7.098 -3.344 -13.430 1.00 0.00 N ATOM 0 H LYS A 17 -6.137 -3.092 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.103 -3.964 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.801 -2.692 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.543 -1.995 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.964 -4.315 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.286 -4.963 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.629 -4.543 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.502 -2.846 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.551 -2.559 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.445 -4.286 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.570 -3.169 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.644 -4.224 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.747 -2.551 -13.252 1.00 0.00 H new ATOM 286 N PHE A 18 -4.129 -1.491 -6.252 1.00 0.00 N ATOM 287 CA PHE A 18 -3.432 -0.287 -5.815 1.00 0.00 C ATOM 288 C PHE A 18 -2.734 -0.518 -4.481 1.00 0.00 C ATOM 289 O PHE A 18 -3.266 -1.189 -3.598 1.00 0.00 O ATOM 290 CB PHE A 18 -4.424 0.867 -5.678 1.00 0.00 C ATOM 291 CG PHE A 18 -5.023 1.177 -7.031 1.00 0.00 C ATOM 292 CD1 PHE A 18 -5.970 0.313 -7.593 1.00 0.00 C ATOM 293 CD2 PHE A 18 -4.630 2.330 -7.723 1.00 0.00 C ATOM 294 CE1 PHE A 18 -6.525 0.601 -8.846 1.00 0.00 C ATOM 295 CE2 PHE A 18 -5.185 2.617 -8.976 1.00 0.00 C ATOM 296 CZ PHE A 18 -6.132 1.752 -9.537 1.00 0.00 C ATOM 0 H PHE A 18 -4.695 -1.939 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.680 -0.037 -6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.211 0.603 -4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.921 1.748 -5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.273 -0.576 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.899 2.997 -7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.256 -0.065 -9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.882 3.506 -9.510 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.559 1.973 -10.504 1.00 0.00 H new ATOM 306 N CYS A 19 -1.545 0.056 -4.340 1.00 0.00 N ATOM 307 CA CYS A 19 -0.786 -0.081 -3.105 1.00 0.00 C ATOM 308 C CYS A 19 -0.953 1.175 -2.259 1.00 0.00 C ATOM 309 O CYS A 19 -0.811 2.291 -2.757 1.00 0.00 O ATOM 310 CB CYS A 19 0.697 -0.308 -3.410 1.00 0.00 C ATOM 311 SG CYS A 19 0.868 -1.566 -4.704 1.00 0.00 S ATOM 0 H CYS A 19 -1.089 0.616 -5.060 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.164 -0.943 -2.555 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.159 0.625 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.219 -0.627 -2.508 1.00 0.00 H new ATOM 316 N TYR A 20 -1.272 0.989 -0.986 1.00 0.00 N ATOM 317 CA TYR A 20 -1.474 2.122 -0.095 1.00 0.00 C ATOM 318 C TYR A 20 -0.351 2.229 0.928 1.00 0.00 C ATOM 319 O TYR A 20 0.289 1.237 1.276 1.00 0.00 O ATOM 320 CB TYR A 20 -2.814 1.984 0.631 1.00 0.00 C ATOM 321 CG TYR A 20 -2.692 0.956 1.729 1.00 0.00 C ATOM 322 CD1 TYR A 20 -2.065 1.290 2.935 1.00 0.00 C ATOM 323 CD2 TYR A 20 -3.208 -0.333 1.543 1.00 0.00 C ATOM 324 CE1 TYR A 20 -1.954 0.337 3.954 1.00 0.00 C ATOM 325 CE2 TYR A 20 -3.097 -1.286 2.562 1.00 0.00 C ATOM 326 CZ TYR A 20 -2.469 -0.951 3.768 1.00 0.00 C ATOM 327 OH TYR A 20 -2.357 -1.891 4.772 1.00 0.00 O ATOM 0 H TYR A 20 -1.395 0.075 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.475 3.028 -0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.112 2.945 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.592 1.688 -0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.667 2.283 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.692 -0.592 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.471 0.596 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.496 -2.279 2.418 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.676 -1.603 5.415 1.00 0.00 H new ATOM 337 N HIS A 21 -0.126 3.446 1.410 1.00 0.00 N ATOM 338 CA HIS A 21 0.912 3.695 2.402 1.00 0.00 C ATOM 339 C HIS A 21 0.293 4.283 3.666 1.00 0.00 C ATOM 340 O HIS A 21 0.297 5.497 3.863 1.00 0.00 O ATOM 341 CB HIS A 21 1.951 4.666 1.837 1.00 0.00 C ATOM 342 CG HIS A 21 3.133 4.737 2.764 1.00 0.00 C ATOM 343 ND1 HIS A 21 3.510 3.671 3.566 1.00 0.00 N ATOM 344 CD2 HIS A 21 4.033 5.740 3.027 1.00 0.00 C ATOM 345 CE1 HIS A 21 4.592 4.054 4.267 1.00 0.00 C ATOM 346 NE2 HIS A 21 4.953 5.306 3.976 1.00 0.00 N ATOM 0 H HIS A 21 -0.649 4.276 1.129 1.00 0.00 H new ATOM 0 HA HIS A 21 1.400 2.752 2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.271 4.337 0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.511 5.656 1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.028 6.717 2.567 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.106 3.425 4.979 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.735 5.832 4.366 1.00 0.00 H new ATOM 354 N ASN A 22 -0.253 3.413 4.510 1.00 0.00 N ATOM 355 CA ASN A 22 -0.889 3.858 5.744 1.00 0.00 C ATOM 356 C ASN A 22 0.146 4.178 6.816 1.00 0.00 C ATOM 357 O ASN A 22 0.987 3.345 7.153 1.00 0.00 O ATOM 358 CB ASN A 22 -1.844 2.779 6.257 1.00 0.00 C ATOM 359 CG ASN A 22 -2.699 3.333 7.392 1.00 0.00 C ATOM 360 OD1 ASN A 22 -3.927 3.274 7.333 1.00 0.00 O ATOM 361 ND2 ASN A 22 -2.119 3.873 8.430 1.00 0.00 N ATOM 0 H ASN A 22 -0.268 2.404 4.363 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.447 4.768 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.484 2.433 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.277 1.916 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.684 4.246 9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.101 3.921 8.478 1.00 0.00 H new ATOM 368 N THR A 23 0.067 5.392 7.351 1.00 0.00 N ATOM 369 CA THR A 23 0.993 5.823 8.393 1.00 0.00 C ATOM 370 C THR A 23 0.334 5.709 9.763 1.00 0.00 C ATOM 371 O THR A 23 1.013 5.651 10.788 1.00 0.00 O ATOM 372 CB THR A 23 1.421 7.273 8.149 1.00 0.00 C ATOM 373 OG1 THR A 23 0.311 8.017 7.668 1.00 0.00 O ATOM 374 CG2 THR A 23 2.550 7.310 7.118 1.00 0.00 C ATOM 0 H THR A 23 -0.625 6.092 7.082 1.00 0.00 H new ATOM 0 HA THR A 23 1.872 5.179 8.365 1.00 0.00 H new ATOM 0 HB THR A 23 1.774 7.709 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.309 8.906 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.852 8.343 6.946 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.401 6.740 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.202 6.874 6.182 1.00 0.00 H new ATOM 382 N GLY A 24 -0.996 5.676 9.772 1.00 0.00 N ATOM 383 CA GLY A 24 -1.740 5.567 11.022 1.00 0.00 C ATOM 384 C GLY A 24 -1.238 6.576 12.051 1.00 0.00 C ATOM 385 O GLY A 24 -0.234 7.253 11.832 1.00 0.00 O ATOM 0 H GLY A 24 -1.576 5.723 8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.801 5.733 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.641 4.557 11.420 1.00 0.00 H new ATOM 389 N MET A 25 -1.944 6.667 13.175 1.00 0.00 N ATOM 390 CA MET A 25 -1.563 7.595 14.235 1.00 0.00 C ATOM 391 C MET A 25 -2.460 7.414 15.456 1.00 0.00 C ATOM 392 O MET A 25 -3.135 8.349 15.888 1.00 0.00 O ATOM 393 CB MET A 25 -1.672 9.036 13.731 1.00 0.00 C ATOM 394 CG MET A 25 -0.685 9.920 14.495 1.00 0.00 C ATOM 395 SD MET A 25 -0.541 11.521 13.664 1.00 0.00 S ATOM 396 CE MET A 25 -1.792 12.397 14.635 1.00 0.00 C ATOM 0 H MET A 25 -2.777 6.114 13.374 1.00 0.00 H new ATOM 0 HA MET A 25 -0.532 7.385 14.521 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.460 9.076 12.662 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.689 9.405 13.869 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.025 10.060 15.521 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.290 9.435 14.545 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.870 13.426 14.284 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.755 11.900 14.520 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.505 12.393 15.686 1.00 0.00 H new ATOM 406 N PRO A 26 -2.476 6.233 16.012 1.00 0.00 N ATOM 407 CA PRO A 26 -3.305 5.913 17.208 1.00 0.00 C ATOM 408 C PRO A 26 -2.690 6.446 18.500 1.00 0.00 C ATOM 409 O PRO A 26 -3.399 6.944 19.375 1.00 0.00 O ATOM 410 CB PRO A 26 -3.344 4.385 17.213 1.00 0.00 C ATOM 411 CG PRO A 26 -2.085 3.954 16.536 1.00 0.00 C ATOM 412 CD PRO A 26 -1.701 5.068 15.557 1.00 0.00 C ATOM 0 HA PRO A 26 -4.292 6.374 17.159 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.396 3.997 18.230 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.222 4.013 16.684 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.291 3.790 17.265 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.233 3.011 16.009 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.630 5.268 15.582 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.951 4.800 14.531 1.00 0.00 H new ATOM 420 N PHE A 27 -1.370 6.337 18.613 1.00 0.00 N ATOM 421 CA PHE A 27 -0.675 6.810 19.804 1.00 0.00 C ATOM 422 C PHE A 27 0.567 7.612 19.424 1.00 0.00 C ATOM 423 O PHE A 27 1.001 7.593 18.272 1.00 0.00 O ATOM 424 CB PHE A 27 -0.264 5.621 20.674 1.00 0.00 C ATOM 425 CG PHE A 27 -1.263 5.445 21.792 1.00 0.00 C ATOM 426 CD1 PHE A 27 -1.175 6.242 22.941 1.00 0.00 C ATOM 427 CD2 PHE A 27 -2.274 4.483 21.683 1.00 0.00 C ATOM 428 CE1 PHE A 27 -2.100 6.077 23.978 1.00 0.00 C ATOM 429 CE2 PHE A 27 -3.198 4.319 22.721 1.00 0.00 C ATOM 430 CZ PHE A 27 -3.112 5.115 23.869 1.00 0.00 C ATOM 0 H PHE A 27 -0.765 5.929 17.901 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.354 7.456 20.361 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.215 4.715 20.070 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.732 5.785 21.085 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.394 6.983 23.026 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.341 3.868 20.798 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.033 6.692 24.863 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.978 3.577 22.636 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.825 4.988 24.670 1.00 0.00 H new ATOM 440 N ARG A 28 1.136 8.310 20.402 1.00 0.00 N ATOM 441 CA ARG A 28 2.331 9.111 20.164 1.00 0.00 C ATOM 442 C ARG A 28 3.547 8.208 19.989 1.00 0.00 C ATOM 443 O ARG A 28 3.922 7.474 20.904 1.00 0.00 O ATOM 444 CB ARG A 28 2.566 10.062 21.339 1.00 0.00 C ATOM 445 CG ARG A 28 1.964 9.459 22.610 1.00 0.00 C ATOM 446 CD ARG A 28 2.577 10.135 23.838 1.00 0.00 C ATOM 447 NE ARG A 28 1.643 10.086 24.957 1.00 0.00 N ATOM 448 CZ ARG A 28 1.927 10.669 26.118 1.00 0.00 C ATOM 449 NH1 ARG A 28 3.062 11.295 26.273 1.00 0.00 N ATOM 450 NH2 ARG A 28 1.071 10.614 27.102 1.00 0.00 N ATOM 0 H ARG A 28 0.791 8.337 21.361 1.00 0.00 H new ATOM 0 HA ARG A 28 2.184 9.691 19.253 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.634 10.233 21.475 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.112 11.031 21.133 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.882 9.592 22.611 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.153 8.386 22.641 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.508 9.637 24.110 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.825 11.171 23.606 1.00 0.00 H new ATOM 0 HE ARG A 28 0.755 9.595 24.847 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.731 11.337 25.504 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.280 11.742 27.163 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.185 10.124 26.980 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.288 11.061 27.993 1.00 0.00 H new ATOM 464 N ASN A 29 4.158 8.262 18.810 1.00 0.00 N ATOM 465 CA ASN A 29 5.328 7.439 18.532 1.00 0.00 C ATOM 466 C ASN A 29 5.084 6.002 18.982 1.00 0.00 C ATOM 467 O ASN A 29 5.819 5.467 19.811 1.00 0.00 O ATOM 468 CB ASN A 29 6.550 8.004 19.260 1.00 0.00 C ATOM 469 CG ASN A 29 6.608 9.517 19.083 1.00 0.00 C ATOM 470 OD1 ASN A 29 5.622 10.134 18.675 1.00 0.00 O ATOM 471 ND2 ASN A 29 7.709 10.157 19.365 1.00 0.00 N ATOM 0 H ASN A 29 3.865 8.861 18.038 1.00 0.00 H new ATOM 0 HA ASN A 29 5.512 7.448 17.458 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.499 7.755 20.320 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.460 7.549 18.869 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.755 11.169 19.248 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.524 9.645 19.703 1.00 0.00 H new ATOM 478 N LEU A 30 4.042 5.386 18.431 1.00 0.00 N ATOM 479 CA LEU A 30 3.703 4.012 18.785 1.00 0.00 C ATOM 480 C LEU A 30 2.890 3.355 17.673 1.00 0.00 C ATOM 481 O LEU A 30 1.929 3.935 17.169 1.00 0.00 O ATOM 482 CB LEU A 30 2.898 3.997 20.087 1.00 0.00 C ATOM 483 CG LEU A 30 3.259 2.754 20.901 1.00 0.00 C ATOM 484 CD1 LEU A 30 4.669 2.910 21.481 1.00 0.00 C ATOM 485 CD2 LEU A 30 2.254 2.588 22.043 1.00 0.00 C ATOM 0 H LEU A 30 3.422 5.813 17.743 1.00 0.00 H new ATOM 0 HA LEU A 30 4.628 3.451 18.920 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.108 4.896 20.666 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.831 4.002 19.866 1.00 0.00 H new ATOM 0 HG LEU A 30 3.229 1.876 20.256 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.924 2.023 22.061 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.385 3.031 20.668 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.702 3.787 22.127 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.508 1.703 22.626 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.286 3.467 22.686 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.251 2.476 21.631 1.00 0.00 H new ATOM 497 N LYS A 31 3.283 2.142 17.294 1.00 0.00 N ATOM 498 CA LYS A 31 2.582 1.416 16.240 1.00 0.00 C ATOM 499 C LYS A 31 2.292 2.337 15.058 1.00 0.00 C ATOM 500 O LYS A 31 1.420 3.203 15.135 1.00 0.00 O ATOM 501 CB LYS A 31 1.269 0.848 16.783 1.00 0.00 C ATOM 502 CG LYS A 31 1.569 -0.209 17.848 1.00 0.00 C ATOM 503 CD LYS A 31 0.575 -1.364 17.716 1.00 0.00 C ATOM 504 CE LYS A 31 -0.848 -0.842 17.933 1.00 0.00 C ATOM 505 NZ LYS A 31 -1.511 -1.640 19.004 1.00 0.00 N ATOM 0 H LYS A 31 4.077 1.644 17.697 1.00 0.00 H new ATOM 0 HA LYS A 31 3.218 0.598 15.901 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.664 1.648 17.210 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.689 0.408 15.972 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.588 -0.578 17.733 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.500 0.232 18.842 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.660 -1.820 16.729 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.804 -2.140 18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.822 0.211 18.212 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.418 -0.912 17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.478 -1.286 19.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.548 -2.640 18.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.970 -1.551 19.888 1.00 0.00 H new ATOM 519 N LEU A 32 3.028 2.147 13.966 1.00 0.00 N ATOM 520 CA LEU A 32 2.836 2.972 12.777 1.00 0.00 C ATOM 521 C LEU A 32 3.121 2.170 11.509 1.00 0.00 C ATOM 522 O LEU A 32 3.298 0.955 11.560 1.00 0.00 O ATOM 523 CB LEU A 32 3.763 4.188 12.831 1.00 0.00 C ATOM 524 CG LEU A 32 5.031 3.837 13.613 1.00 0.00 C ATOM 525 CD1 LEU A 32 6.144 4.821 13.246 1.00 0.00 C ATOM 526 CD2 LEU A 32 4.756 3.919 15.121 1.00 0.00 C ATOM 0 H LEU A 32 3.755 1.437 13.880 1.00 0.00 H new ATOM 0 HA LEU A 32 1.798 3.304 12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.023 4.504 11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.252 5.026 13.305 1.00 0.00 H new ATOM 0 HG LEU A 32 5.338 2.822 13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.048 4.572 13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.347 4.758 12.177 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.831 5.834 13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.663 3.668 15.670 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.444 4.931 15.379 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.966 3.217 15.385 1.00 0.00 H new ATOM 538 N ILE A 33 3.168 2.868 10.375 1.00 0.00 N ATOM 539 CA ILE A 33 3.433 2.229 9.088 1.00 0.00 C ATOM 540 C ILE A 33 2.599 0.962 8.924 1.00 0.00 C ATOM 541 O ILE A 33 2.753 -0.002 9.672 1.00 0.00 O ATOM 542 CB ILE A 33 4.923 1.899 8.978 1.00 0.00 C ATOM 543 CG1 ILE A 33 5.644 3.031 8.241 1.00 0.00 C ATOM 544 CG2 ILE A 33 5.123 0.589 8.211 1.00 0.00 C ATOM 545 CD1 ILE A 33 5.193 4.381 8.800 1.00 0.00 C ATOM 0 H ILE A 33 3.026 3.877 10.322 1.00 0.00 H new ATOM 0 HA ILE A 33 3.154 2.920 8.292 1.00 0.00 H new ATOM 0 HB ILE A 33 5.334 1.789 9.982 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.723 2.922 8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.428 2.978 7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.188 0.367 8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.618 -0.221 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.706 0.687 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.709 5.184 8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.117 4.490 8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.432 4.433 9.862 1.00 0.00 H new ATOM 557 N LEU A 34 1.721 0.971 7.929 1.00 0.00 N ATOM 558 CA LEU A 34 0.870 -0.180 7.663 1.00 0.00 C ATOM 559 C LEU A 34 0.799 -0.448 6.165 1.00 0.00 C ATOM 560 O LEU A 34 -0.180 -1.004 5.669 1.00 0.00 O ATOM 561 CB LEU A 34 -0.536 0.077 8.214 1.00 0.00 C ATOM 562 CG LEU A 34 -0.806 -0.850 9.402 1.00 0.00 C ATOM 563 CD1 LEU A 34 -1.893 -0.240 10.288 1.00 0.00 C ATOM 564 CD2 LEU A 34 -1.274 -2.214 8.888 1.00 0.00 C ATOM 0 H LEU A 34 1.580 1.759 7.296 1.00 0.00 H new ATOM 0 HA LEU A 34 1.295 -1.055 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.630 1.118 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.278 -0.091 7.434 1.00 0.00 H new ATOM 0 HG LEU A 34 0.109 -0.974 9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.086 -0.900 11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.561 0.732 10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.808 -0.117 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.466 -2.875 9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.189 -2.090 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.500 -2.650 8.256 1.00 0.00 H new ATOM 576 N GLN A 35 1.847 -0.047 5.450 1.00 0.00 N ATOM 577 CA GLN A 35 1.893 -0.247 4.006 1.00 0.00 C ATOM 578 C GLN A 35 1.234 -1.568 3.623 1.00 0.00 C ATOM 579 O GLN A 35 1.546 -2.617 4.187 1.00 0.00 O ATOM 580 CB GLN A 35 3.343 -0.235 3.516 1.00 0.00 C ATOM 581 CG GLN A 35 4.292 -0.422 4.700 1.00 0.00 C ATOM 582 CD GLN A 35 5.629 -0.973 4.214 1.00 0.00 C ATOM 583 OE1 GLN A 35 6.086 -0.623 3.126 1.00 0.00 O ATOM 584 NE2 GLN A 35 6.286 -1.816 4.962 1.00 0.00 N ATOM 0 H GLN A 35 2.668 0.414 5.843 1.00 0.00 H new ATOM 0 HA GLN A 35 1.346 0.568 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.496 -1.030 2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.558 0.707 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.445 0.530 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.850 -1.104 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.904 -2.104 5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.182 -2.188 4.646 1.00 0.00 H new ATOM 593 N GLY A 36 0.320 -1.507 2.659 1.00 0.00 N ATOM 594 CA GLY A 36 -0.383 -2.704 2.203 1.00 0.00 C ATOM 595 C GLY A 36 -1.092 -2.442 0.876 1.00 0.00 C ATOM 596 O GLY A 36 -0.953 -1.368 0.293 1.00 0.00 O ATOM 0 H GLY A 36 0.049 -0.648 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.324 -3.525 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.110 -3.013 2.954 1.00 0.00 H new ATOM 600 N CYS A 37 -1.852 -3.429 0.407 1.00 0.00 N ATOM 601 CA CYS A 37 -2.576 -3.284 -0.853 1.00 0.00 C ATOM 602 C CYS A 37 -4.067 -3.090 -0.602 1.00 0.00 C ATOM 603 O CYS A 37 -4.564 -3.373 0.488 1.00 0.00 O ATOM 604 CB CYS A 37 -2.366 -4.520 -1.732 1.00 0.00 C ATOM 605 SG CYS A 37 -0.994 -5.504 -1.084 1.00 0.00 S ATOM 0 H CYS A 37 -1.982 -4.327 0.874 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.186 -2.404 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.276 -5.119 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.156 -4.217 -2.758 1.00 0.00 H new ATOM 610 N SER A 38 -4.774 -2.605 -1.619 1.00 0.00 N ATOM 611 CA SER A 38 -6.209 -2.375 -1.504 1.00 0.00 C ATOM 612 C SER A 38 -6.793 -1.965 -2.853 1.00 0.00 C ATOM 613 O SER A 38 -6.095 -1.403 -3.696 1.00 0.00 O ATOM 614 CB SER A 38 -6.476 -1.280 -0.470 1.00 0.00 C ATOM 615 OG SER A 38 -7.872 -1.212 -0.208 1.00 0.00 O ATOM 0 H SER A 38 -4.378 -2.365 -2.528 1.00 0.00 H new ATOM 0 HA SER A 38 -6.687 -3.300 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.931 -1.492 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.116 -0.320 -0.839 1.00 0.00 H new ATOM 0 HG SER A 38 -8.047 -0.512 0.456 1.00 0.00 H new ATOM 621 N SER A 39 -8.076 -2.249 -3.051 1.00 0.00 N ATOM 622 CA SER A 39 -8.738 -1.903 -4.304 1.00 0.00 C ATOM 623 C SER A 39 -9.145 -0.433 -4.307 1.00 0.00 C ATOM 624 O SER A 39 -8.414 0.421 -4.811 1.00 0.00 O ATOM 625 CB SER A 39 -9.973 -2.786 -4.502 1.00 0.00 C ATOM 626 OG SER A 39 -10.070 -3.707 -3.424 1.00 0.00 O ATOM 0 H SER A 39 -8.674 -2.713 -2.367 1.00 0.00 H new ATOM 0 HA SER A 39 -8.040 -2.072 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.871 -2.170 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.903 -3.322 -5.448 1.00 0.00 H new ATOM 0 HG SER A 39 -10.861 -4.273 -3.547 1.00 0.00 H new ATOM 632 N SER A 40 -10.311 -0.140 -3.741 1.00 0.00 N ATOM 633 CA SER A 40 -10.801 1.233 -3.687 1.00 0.00 C ATOM 634 C SER A 40 -10.032 2.032 -2.640 1.00 0.00 C ATOM 635 O SER A 40 -10.626 2.758 -1.841 1.00 0.00 O ATOM 636 CB SER A 40 -12.292 1.245 -3.352 1.00 0.00 C ATOM 637 OG SER A 40 -13.043 1.140 -4.553 1.00 0.00 O ATOM 0 H SER A 40 -10.931 -0.829 -3.316 1.00 0.00 H new ATOM 0 HA SER A 40 -10.649 1.693 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.533 0.417 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.551 2.164 -2.826 1.00 0.00 H new ATOM 0 HG SER A 40 -14.000 1.146 -4.342 1.00 0.00 H new ATOM 643 N CYS A 41 -8.710 1.894 -2.650 1.00 0.00 N ATOM 644 CA CYS A 41 -7.873 2.611 -1.696 1.00 0.00 C ATOM 645 C CYS A 41 -8.394 4.030 -1.499 1.00 0.00 C ATOM 646 O CYS A 41 -8.904 4.648 -2.434 1.00 0.00 O ATOM 647 CB CYS A 41 -6.429 2.660 -2.197 1.00 0.00 C ATOM 648 SG CYS A 41 -5.395 3.497 -0.970 1.00 0.00 S ATOM 0 H CYS A 41 -8.199 1.298 -3.302 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.905 2.084 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.059 1.650 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.381 3.187 -3.150 1.00 0.00 H new ATOM 653 N SER A 42 -8.268 4.539 -0.279 1.00 0.00 N ATOM 654 CA SER A 42 -8.736 5.887 0.023 1.00 0.00 C ATOM 655 C SER A 42 -7.560 6.841 0.204 1.00 0.00 C ATOM 656 O SER A 42 -7.157 7.138 1.328 1.00 0.00 O ATOM 657 CB SER A 42 -9.582 5.872 1.297 1.00 0.00 C ATOM 658 OG SER A 42 -10.955 5.768 0.946 1.00 0.00 O ATOM 0 H SER A 42 -7.850 4.045 0.510 1.00 0.00 H new ATOM 0 HA SER A 42 -9.342 6.234 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.292 5.034 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.410 6.781 1.873 1.00 0.00 H new ATOM 0 HG SER A 42 -11.501 5.756 1.760 1.00 0.00 H new ATOM 664 N GLU A 43 -7.018 7.322 -0.910 1.00 0.00 N ATOM 665 CA GLU A 43 -5.893 8.249 -0.861 1.00 0.00 C ATOM 666 C GLU A 43 -6.158 9.350 0.159 1.00 0.00 C ATOM 667 O GLU A 43 -7.086 10.144 0.001 1.00 0.00 O ATOM 668 CB GLU A 43 -5.667 8.869 -2.241 1.00 0.00 C ATOM 669 CG GLU A 43 -4.327 9.608 -2.257 1.00 0.00 C ATOM 670 CD GLU A 43 -4.562 11.114 -2.315 1.00 0.00 C ATOM 671 OE1 GLU A 43 -4.891 11.682 -1.288 1.00 0.00 O ATOM 672 OE2 GLU A 43 -4.409 11.676 -3.388 1.00 0.00 O ATOM 0 H GLU A 43 -7.336 7.088 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.001 7.698 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.675 8.092 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.477 9.558 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.752 9.355 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.737 9.290 -3.117 1.00 0.00 H new ATOM 679 N THR A 44 -5.341 9.394 1.205 1.00 0.00 N ATOM 680 CA THR A 44 -5.505 10.404 2.244 1.00 0.00 C ATOM 681 C THR A 44 -4.150 10.806 2.819 1.00 0.00 C ATOM 682 O THR A 44 -3.106 10.380 2.327 1.00 0.00 O ATOM 683 CB THR A 44 -6.396 9.861 3.365 1.00 0.00 C ATOM 684 OG1 THR A 44 -6.883 8.578 2.997 1.00 0.00 O ATOM 685 CG2 THR A 44 -7.575 10.810 3.593 1.00 0.00 C ATOM 0 H THR A 44 -4.565 8.749 1.356 1.00 0.00 H new ATOM 0 HA THR A 44 -5.974 11.282 1.800 1.00 0.00 H new ATOM 0 HB THR A 44 -5.816 9.783 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.140 8.026 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.207 10.420 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.201 11.794 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.159 10.892 2.676 1.00 0.00 H new ATOM 693 N GLU A 45 -4.175 11.627 3.863 1.00 0.00 N ATOM 694 CA GLU A 45 -2.942 12.078 4.497 1.00 0.00 C ATOM 695 C GLU A 45 -2.264 10.921 5.221 1.00 0.00 C ATOM 696 O GLU A 45 -1.051 10.740 5.123 1.00 0.00 O ATOM 697 CB GLU A 45 -3.248 13.198 5.493 1.00 0.00 C ATOM 698 CG GLU A 45 -3.190 14.549 4.776 1.00 0.00 C ATOM 699 CD GLU A 45 -3.878 15.616 5.620 1.00 0.00 C ATOM 700 OE1 GLU A 45 -4.717 15.256 6.429 1.00 0.00 O ATOM 701 OE2 GLU A 45 -3.555 16.780 5.445 1.00 0.00 O ATOM 0 H GLU A 45 -5.029 11.992 4.286 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.271 12.454 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.235 13.049 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.529 13.178 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.152 14.830 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.675 14.475 3.803 1.00 0.00 H new ATOM 708 N ASN A 46 -3.056 10.139 5.948 1.00 0.00 N ATOM 709 CA ASN A 46 -2.523 9.000 6.684 1.00 0.00 C ATOM 710 C ASN A 46 -2.508 7.755 5.805 1.00 0.00 C ATOM 711 O ASN A 46 -1.595 6.934 5.891 1.00 0.00 O ATOM 712 CB ASN A 46 -3.374 8.740 7.928 1.00 0.00 C ATOM 713 CG ASN A 46 -2.772 7.600 8.741 1.00 0.00 C ATOM 714 OD1 ASN A 46 -1.946 7.834 9.622 1.00 0.00 O ATOM 715 ND2 ASN A 46 -3.139 6.371 8.497 1.00 0.00 N ATOM 0 H ASN A 46 -4.063 10.273 6.043 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.501 9.230 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.429 9.643 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.394 8.490 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.741 5.603 9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.824 6.179 7.766 1.00 0.00 H new ATOM 722 N ASN A 47 -3.526 7.622 4.960 1.00 0.00 N ATOM 723 CA ASN A 47 -3.618 6.471 4.069 1.00 0.00 C ATOM 724 C ASN A 47 -3.616 6.919 2.611 1.00 0.00 C ATOM 725 O ASN A 47 -4.631 7.381 2.091 1.00 0.00 O ATOM 726 CB ASN A 47 -4.894 5.681 4.366 1.00 0.00 C ATOM 727 CG ASN A 47 -5.322 4.896 3.130 1.00 0.00 C ATOM 728 OD1 ASN A 47 -6.439 5.065 2.642 1.00 0.00 O ATOM 729 ND2 ASN A 47 -4.494 4.044 2.592 1.00 0.00 N ATOM 0 H ASN A 47 -4.292 8.290 4.874 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.751 5.833 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.724 4.999 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.690 6.361 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.772 3.516 1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.569 3.906 2.998 1.00 0.00 H new ATOM 736 N LYS A 48 -2.465 6.783 1.961 1.00 0.00 N ATOM 737 CA LYS A 48 -2.333 7.179 0.565 1.00 0.00 C ATOM 738 C LYS A 48 -2.758 6.045 -0.365 1.00 0.00 C ATOM 739 O LYS A 48 -3.293 5.030 0.079 1.00 0.00 O ATOM 740 CB LYS A 48 -0.884 7.570 0.273 1.00 0.00 C ATOM 741 CG LYS A 48 -0.517 8.806 1.095 1.00 0.00 C ATOM 742 CD LYS A 48 0.237 8.379 2.356 1.00 0.00 C ATOM 743 CE LYS A 48 0.593 9.619 3.180 1.00 0.00 C ATOM 744 NZ LYS A 48 1.957 10.089 2.811 1.00 0.00 N ATOM 0 H LYS A 48 -1.614 6.403 2.377 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.985 8.034 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.216 6.744 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.758 7.776 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.100 9.480 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.418 9.355 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.377 7.700 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.143 7.836 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.136 10.409 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.553 9.385 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.197 10.931 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.648 9.336 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.980 10.328 1.799 1.00 0.00 H new ATOM 758 N CYS A 49 -2.516 6.232 -1.659 1.00 0.00 N ATOM 759 CA CYS A 49 -2.877 5.228 -2.656 1.00 0.00 C ATOM 760 C CYS A 49 -1.989 5.364 -3.885 1.00 0.00 C ATOM 761 O CYS A 49 -1.871 6.447 -4.459 1.00 0.00 O ATOM 762 CB CYS A 49 -4.341 5.406 -3.062 1.00 0.00 C ATOM 763 SG CYS A 49 -5.379 5.423 -1.579 1.00 0.00 S ATOM 0 H CYS A 49 -2.073 7.067 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.737 4.237 -2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.465 6.336 -3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.647 4.596 -3.724 1.00 0.00 H new ATOM 768 N CYS A 50 -1.360 4.264 -4.283 1.00 0.00 N ATOM 769 CA CYS A 50 -0.480 4.289 -5.445 1.00 0.00 C ATOM 770 C CYS A 50 -0.551 2.970 -6.209 1.00 0.00 C ATOM 771 O CYS A 50 -1.203 2.022 -5.775 1.00 0.00 O ATOM 772 CB CYS A 50 0.957 4.540 -4.996 1.00 0.00 C ATOM 773 SG CYS A 50 1.598 3.055 -4.186 1.00 0.00 S ATOM 0 H CYS A 50 -1.441 3.356 -3.826 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.806 5.092 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.578 4.797 -5.854 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.993 5.387 -4.310 1.00 0.00 H new ATOM 778 N SER A 51 0.127 2.924 -7.352 1.00 0.00 N ATOM 779 CA SER A 51 0.142 1.721 -8.176 1.00 0.00 C ATOM 780 C SER A 51 1.399 1.685 -9.038 1.00 0.00 C ATOM 781 O SER A 51 1.418 1.063 -10.100 1.00 0.00 O ATOM 782 CB SER A 51 -1.097 1.689 -9.073 1.00 0.00 C ATOM 783 OG SER A 51 -1.780 2.933 -8.976 1.00 0.00 O ATOM 0 H SER A 51 0.670 3.702 -7.727 1.00 0.00 H new ATOM 0 HA SER A 51 0.137 0.850 -7.521 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.807 1.500 -10.107 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.756 0.875 -8.773 1.00 0.00 H new ATOM 0 HG SER A 51 -2.692 2.781 -8.652 1.00 0.00 H new ATOM 789 N THR A 52 2.448 2.357 -8.574 1.00 0.00 N ATOM 790 CA THR A 52 3.705 2.398 -9.314 1.00 0.00 C ATOM 791 C THR A 52 4.696 1.385 -8.750 1.00 0.00 C ATOM 792 O THR A 52 5.907 1.522 -8.925 1.00 0.00 O ATOM 793 CB THR A 52 4.309 3.802 -9.243 1.00 0.00 C ATOM 794 OG1 THR A 52 3.270 4.754 -9.061 1.00 0.00 O ATOM 795 CG2 THR A 52 5.058 4.107 -10.542 1.00 0.00 C ATOM 0 H THR A 52 2.454 2.877 -7.696 1.00 0.00 H new ATOM 0 HA THR A 52 3.499 2.144 -10.354 1.00 0.00 H new ATOM 0 HB THR A 52 5.004 3.855 -8.405 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.655 5.654 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.487 5.108 -10.488 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.856 3.377 -10.682 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.366 4.054 -11.382 1.00 0.00 H new ATOM 803 N ASP A 53 4.172 0.369 -8.076 1.00 0.00 N ATOM 804 CA ASP A 53 5.016 -0.667 -7.492 1.00 0.00 C ATOM 805 C ASP A 53 5.879 -0.092 -6.371 1.00 0.00 C ATOM 806 O ASP A 53 6.323 1.054 -6.442 1.00 0.00 O ATOM 807 CB ASP A 53 5.914 -1.278 -8.568 1.00 0.00 C ATOM 808 CG ASP A 53 5.166 -1.342 -9.895 1.00 0.00 C ATOM 809 OD1 ASP A 53 3.963 -1.141 -9.885 1.00 0.00 O ATOM 810 OD2 ASP A 53 5.807 -1.592 -10.903 1.00 0.00 O ATOM 0 H ASP A 53 3.172 0.240 -7.920 1.00 0.00 H new ATOM 0 HA ASP A 53 4.370 -1.440 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.820 -0.682 -8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.226 -2.278 -8.268 1.00 0.00 H new ATOM 815 N ARG A 54 6.111 -0.897 -5.336 1.00 0.00 N ATOM 816 CA ARG A 54 6.922 -0.457 -4.206 1.00 0.00 C ATOM 817 C ARG A 54 6.713 1.031 -3.951 1.00 0.00 C ATOM 818 O ARG A 54 7.582 1.706 -3.400 1.00 0.00 O ATOM 819 CB ARG A 54 8.404 -0.719 -4.485 1.00 0.00 C ATOM 820 CG ARG A 54 8.556 -2.000 -5.306 1.00 0.00 C ATOM 821 CD ARG A 54 10.012 -2.152 -5.751 1.00 0.00 C ATOM 822 NE ARG A 54 10.774 -0.960 -5.400 1.00 0.00 N ATOM 823 CZ ARG A 54 10.925 0.040 -6.263 1.00 0.00 C ATOM 824 NH1 ARG A 54 10.381 -0.033 -7.447 1.00 0.00 N ATOM 825 NH2 ARG A 54 11.613 1.095 -5.925 1.00 0.00 N ATOM 0 H ARG A 54 5.752 -1.849 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 54 6.615 -1.019 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.837 0.123 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.950 -0.811 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.254 -2.863 -4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.900 -1.967 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.455 -3.028 -5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.055 -2.316 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 54 11.199 -0.892 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.840 -0.857 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.497 0.734 -8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.035 1.153 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.729 1.862 -6.587 1.00 0.00 H new ATOM 839 N CYS A 55 5.555 1.534 -4.360 1.00 0.00 N ATOM 840 CA CYS A 55 5.239 2.944 -4.179 1.00 0.00 C ATOM 841 C CYS A 55 4.517 3.169 -2.854 1.00 0.00 C ATOM 842 O CYS A 55 4.253 4.307 -2.466 1.00 0.00 O ATOM 843 CB CYS A 55 4.360 3.429 -5.333 1.00 0.00 C ATOM 844 SG CYS A 55 2.939 2.324 -5.505 1.00 0.00 S ATOM 0 H CYS A 55 4.823 0.990 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 55 6.171 3.509 -4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.022 4.448 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.934 3.449 -6.259 1.00 0.00 H new ATOM 849 N ASN A 56 4.202 2.078 -2.162 1.00 0.00 N ATOM 850 CA ASN A 56 3.512 2.173 -0.879 1.00 0.00 C ATOM 851 C ASN A 56 4.377 2.911 0.136 1.00 0.00 C ATOM 852 O ASN A 56 4.076 2.928 1.329 1.00 0.00 O ATOM 853 CB ASN A 56 3.190 0.773 -0.353 1.00 0.00 C ATOM 854 CG ASN A 56 4.478 -0.021 -0.160 1.00 0.00 C ATOM 855 OD1 ASN A 56 4.846 -0.825 -1.017 1.00 0.00 O ATOM 856 ND2 ASN A 56 5.186 0.156 0.921 1.00 0.00 N ATOM 0 H ASN A 56 4.411 1.126 -2.464 1.00 0.00 H new ATOM 0 HA ASN A 56 2.585 2.727 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.653 0.846 0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.535 0.254 -1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.048 -0.372 1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.878 0.823 1.629 1.00 0.00 H new ATOM 863 N LYS A 57 5.456 3.518 -0.347 1.00 0.00 N ATOM 864 CA LYS A 57 6.364 4.253 0.525 1.00 0.00 C ATOM 865 C LYS A 57 6.419 5.723 0.123 1.00 0.00 C ATOM 866 O LYS A 57 7.059 6.486 0.827 1.00 0.00 O ATOM 867 CB LYS A 57 7.764 3.644 0.443 1.00 0.00 C ATOM 868 CG LYS A 57 7.897 2.847 -0.857 1.00 0.00 C ATOM 869 CD LYS A 57 9.377 2.625 -1.170 1.00 0.00 C ATOM 870 CE LYS A 57 9.953 1.588 -0.204 1.00 0.00 C ATOM 871 NZ LYS A 57 10.058 2.183 1.158 1.00 0.00 N ATOM 872 OXT LYS A 57 5.820 6.065 -0.883 1.00 0.00 O ATOM 0 H LYS A 57 5.722 3.516 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 57 5.996 4.184 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.517 4.431 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.941 2.994 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.387 1.889 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.418 3.384 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.495 2.284 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.923 3.564 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.315 0.705 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.935 1.262 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.954 1.890 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.030 3.220 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.263 1.855 1.742 1.00 0.00 H new TER 886 LYS A 57