USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 4 ASN : amide:sc= -2.13 K(o=-4.3,f=-8.6!) USER MOD Set 1.2: A 60 ASN : amide:sc= -2.17! C(o=-4.3!,f=-20!) USER MOD Set 2.1: A 1 LEU N :NH3+ -111:sc= 0.438 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.582 K(o=-0.14,f=-5.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0426) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0232) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= 1.21 (180deg=-0.398) USER MOD Single : A 24 MET CE :methyl 156:sc= -0.687 (180deg=-1.94!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00298 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -8.75! C(o=-8.8!,f=-18!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.27 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -50:sc= 1.02 USER MOD Single : A 55 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.41) USER MOD Single : A 56 THR OG1 : rot 110:sc= -1.88! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.707 12.142 -2.239 1.00 0.00 N ATOM 2 CA LEU A 1 5.663 11.195 -1.138 1.00 0.00 C ATOM 3 C LEU A 1 6.512 9.971 -1.489 1.00 0.00 C ATOM 4 O LEU A 1 6.602 9.588 -2.654 1.00 0.00 O ATOM 5 CB LEU A 1 4.215 10.856 -0.780 1.00 0.00 C ATOM 6 CG LEU A 1 3.763 11.246 0.629 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.618 12.259 0.576 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.395 10.008 1.450 1.00 0.00 C ATOM 0 H1 LEU A 1 6.240 12.987 -1.949 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.174 11.702 -3.057 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.738 12.417 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 1 6.094 11.636 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.559 11.347 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.074 9.782 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 1 4.599 11.730 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.315 12.520 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.950 13.157 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.771 11.824 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.077 10.314 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.582 9.474 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.263 9.354 1.531 1.00 0.00 H new ATOM 20 N LYS A 2 7.113 9.392 -0.458 1.00 0.00 N ATOM 21 CA LYS A 2 7.951 8.220 -0.644 1.00 0.00 C ATOM 22 C LYS A 2 7.186 6.975 -0.190 1.00 0.00 C ATOM 23 O LYS A 2 6.808 6.865 0.975 1.00 0.00 O ATOM 24 CB LYS A 2 9.296 8.407 0.062 1.00 0.00 C ATOM 25 CG LYS A 2 10.058 9.601 -0.518 1.00 0.00 C ATOM 26 CD LYS A 2 11.408 9.164 -1.090 1.00 0.00 C ATOM 27 CE LYS A 2 12.501 10.180 -0.752 1.00 0.00 C ATOM 28 NZ LYS A 2 13.797 9.759 -1.330 1.00 0.00 N ATOM 0 H LYS A 2 7.036 9.713 0.507 1.00 0.00 H new ATOM 0 HA LYS A 2 8.187 8.083 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.133 8.559 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.895 7.503 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.463 10.072 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.213 10.350 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.678 8.187 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.330 9.054 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.226 11.161 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.593 10.278 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.528 10.460 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.066 8.832 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.710 9.689 -2.364 1.00 0.00 H new ATOM 42 N CYS A 3 6.983 6.069 -1.135 1.00 0.00 N ATOM 43 CA CYS A 3 6.270 4.835 -0.847 1.00 0.00 C ATOM 44 C CYS A 3 7.228 3.664 -1.069 1.00 0.00 C ATOM 45 O CYS A 3 8.119 3.738 -1.914 1.00 0.00 O ATOM 46 CB CYS A 3 5.002 4.704 -1.693 1.00 0.00 C ATOM 47 SG CYS A 3 4.065 6.260 -1.918 1.00 0.00 S ATOM 0 H CYS A 3 7.299 6.164 -2.100 1.00 0.00 H new ATOM 0 HA CYS A 3 5.936 4.838 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.275 4.316 -2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.347 3.966 -1.229 1.00 0.00 H new ATOM 52 N ASN A 4 7.013 2.609 -0.297 1.00 0.00 N ATOM 53 CA ASN A 4 7.846 1.423 -0.400 1.00 0.00 C ATOM 54 C ASN A 4 7.172 0.410 -1.327 1.00 0.00 C ATOM 55 O ASN A 4 5.962 0.469 -1.542 1.00 0.00 O ATOM 56 CB ASN A 4 8.033 0.762 0.968 1.00 0.00 C ATOM 57 CG ASN A 4 8.365 1.802 2.039 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.957 2.835 1.775 1.00 0.00 O ATOM 59 ND2 ASN A 4 7.952 1.472 3.260 1.00 0.00 N ATOM 0 H ASN A 4 6.273 2.551 0.403 1.00 0.00 H new ATOM 0 HA ASN A 4 8.818 1.726 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.124 0.227 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.833 0.024 0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.126 2.100 4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.461 0.591 3.412 1.00 0.00 H new ATOM 66 N LYS A 5 7.984 -0.495 -1.852 1.00 0.00 N ATOM 67 CA LYS A 5 7.482 -1.520 -2.751 1.00 0.00 C ATOM 68 C LYS A 5 7.001 -2.719 -1.933 1.00 0.00 C ATOM 69 O LYS A 5 6.671 -2.580 -0.756 1.00 0.00 O ATOM 70 CB LYS A 5 8.537 -1.876 -3.801 1.00 0.00 C ATOM 71 CG LYS A 5 9.189 -0.615 -4.373 1.00 0.00 C ATOM 72 CD LYS A 5 10.698 -0.616 -4.125 1.00 0.00 C ATOM 73 CE LYS A 5 11.455 -1.119 -5.357 1.00 0.00 C ATOM 74 NZ LYS A 5 12.125 0.005 -6.048 1.00 0.00 N ATOM 0 H LYS A 5 8.987 -0.540 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 5 6.622 -1.149 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.300 -2.513 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.076 -2.448 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.993 -0.554 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.743 0.268 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.030 0.392 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.929 -1.249 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.194 -1.863 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.763 -1.613 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.171 -0.193 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.587 0.881 -5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.089 0.118 -5.673 1.00 0.00 H new ATOM 88 N LEU A 6 6.974 -3.871 -2.588 1.00 0.00 N ATOM 89 CA LEU A 6 6.538 -5.093 -1.936 1.00 0.00 C ATOM 90 C LEU A 6 7.293 -5.259 -0.616 1.00 0.00 C ATOM 91 O LEU A 6 6.765 -5.830 0.337 1.00 0.00 O ATOM 92 CB LEU A 6 6.684 -6.287 -2.883 1.00 0.00 C ATOM 93 CG LEU A 6 6.386 -7.661 -2.280 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.901 -8.007 -2.411 1.00 0.00 C ATOM 95 CD2 LEU A 6 7.281 -8.737 -2.897 1.00 0.00 C ATOM 0 H LEU A 6 7.247 -3.983 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 6 5.477 -5.037 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.020 -6.134 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.703 -6.295 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 6 6.616 -7.623 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.716 -8.989 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.306 -7.259 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.622 -8.020 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.048 -9.704 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.107 -8.782 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.326 -8.493 -2.709 1.00 0.00 H new ATOM 107 N VAL A 7 8.516 -4.749 -0.602 1.00 0.00 N ATOM 108 CA VAL A 7 9.348 -4.834 0.585 1.00 0.00 C ATOM 109 C VAL A 7 9.525 -3.436 1.180 1.00 0.00 C ATOM 110 O VAL A 7 9.832 -2.486 0.460 1.00 0.00 O ATOM 111 CB VAL A 7 10.677 -5.512 0.245 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.642 -5.453 1.432 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.456 -6.956 -0.210 1.00 0.00 C ATOM 0 H VAL A 7 8.950 -4.275 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 7 8.868 -5.452 1.344 1.00 0.00 H new ATOM 0 HB VAL A 7 11.129 -4.966 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.579 -5.942 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.837 -4.412 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.198 -5.963 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.417 -7.414 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.971 -7.519 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.823 -6.965 -1.097 1.00 0.00 H new ATOM 123 N PRO A 8 9.324 -3.352 2.486 1.00 0.00 N ATOM 124 CA PRO A 8 9.819 -2.175 3.270 1.00 0.00 C ATOM 125 C PRO A 8 11.352 -1.850 3.316 1.00 0.00 C ATOM 126 O PRO A 8 11.935 -1.744 4.394 1.00 0.00 O ATOM 127 CB PRO A 8 9.226 -2.441 4.673 1.00 0.00 C ATOM 128 CG PRO A 8 8.117 -3.474 4.470 1.00 0.00 C ATOM 129 CD PRO A 8 8.612 -4.338 3.312 1.00 0.00 C ATOM 0 HA PRO A 8 9.498 -1.263 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.989 -2.816 5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.831 -1.524 5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.958 -4.068 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.167 -2.996 4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.269 -5.139 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.790 -4.807 2.771 1.00 0.00 H new ATOM 137 N ILE A 9 11.929 -1.705 2.132 1.00 0.00 N ATOM 138 CA ILE A 9 13.346 -1.400 2.023 1.00 0.00 C ATOM 139 C ILE A 9 13.569 -0.444 0.850 1.00 0.00 C ATOM 140 O ILE A 9 14.210 0.594 1.005 1.00 0.00 O ATOM 141 CB ILE A 9 14.165 -2.689 1.930 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.643 -2.422 2.220 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.961 -3.372 0.576 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.886 -2.258 3.721 1.00 0.00 C ATOM 0 H ILE A 9 11.442 -1.793 1.240 1.00 0.00 H new ATOM 0 HA ILE A 9 13.696 -0.890 2.921 1.00 0.00 H new ATOM 0 HB ILE A 9 13.806 -3.377 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.247 -3.245 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.963 -1.522 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.554 -4.286 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.907 -3.618 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.276 -2.700 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.945 -2.069 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.300 -1.419 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.587 -3.169 4.240 1.00 0.00 H new ATOM 156 N ALA A 10 13.026 -0.827 -0.296 1.00 0.00 N ATOM 157 CA ALA A 10 13.158 -0.016 -1.495 1.00 0.00 C ATOM 158 C ALA A 10 11.894 0.826 -1.675 1.00 0.00 C ATOM 159 O ALA A 10 10.785 0.295 -1.683 1.00 0.00 O ATOM 160 CB ALA A 10 13.431 -0.923 -2.697 1.00 0.00 C ATOM 0 H ALA A 10 12.494 -1.688 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 10 14.001 0.669 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.530 -0.315 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.354 -1.479 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.604 -1.622 -2.821 1.00 0.00 H new ATOM 166 N TYR A 11 12.104 2.127 -1.817 1.00 0.00 N ATOM 167 CA TYR A 11 10.995 3.049 -1.998 1.00 0.00 C ATOM 168 C TYR A 11 11.395 4.217 -2.902 1.00 0.00 C ATOM 169 O TYR A 11 12.568 4.581 -2.969 1.00 0.00 O ATOM 170 CB TYR A 11 10.664 3.588 -0.605 1.00 0.00 C ATOM 171 CG TYR A 11 11.840 4.273 0.093 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.732 3.525 0.836 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.010 5.638 -0.019 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.839 4.170 1.494 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.117 6.282 0.638 1.00 0.00 C ATOM 176 CZ TYR A 11 13.977 5.517 1.362 1.00 0.00 C ATOM 177 OH TYR A 11 15.023 6.125 1.983 1.00 0.00 O ATOM 0 H TYR A 11 13.025 2.564 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 11 10.148 2.545 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.841 4.297 -0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.314 2.765 0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.600 2.457 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.312 6.223 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.544 3.597 2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.261 7.349 0.558 1.00 0.00 H new ATOM 0 HH TYR A 11 14.997 7.088 1.801 1.00 0.00 H new ATOM 187 N LYS A 12 10.397 4.771 -3.573 1.00 0.00 N ATOM 188 CA LYS A 12 10.630 5.891 -4.471 1.00 0.00 C ATOM 189 C LYS A 12 9.542 6.945 -4.256 1.00 0.00 C ATOM 190 O LYS A 12 8.686 6.792 -3.386 1.00 0.00 O ATOM 191 CB LYS A 12 10.739 5.405 -5.917 1.00 0.00 C ATOM 192 CG LYS A 12 9.393 4.878 -6.422 1.00 0.00 C ATOM 193 CD LYS A 12 9.505 4.379 -7.863 1.00 0.00 C ATOM 194 CE LYS A 12 9.966 2.920 -7.905 1.00 0.00 C ATOM 195 NZ LYS A 12 10.501 2.583 -9.242 1.00 0.00 N ATOM 0 H LYS A 12 9.425 4.466 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 12 11.585 6.367 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.076 6.222 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.490 4.618 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.051 4.067 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.644 5.668 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.540 4.473 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.209 5.002 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.732 2.753 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.131 2.262 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.809 1.590 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.760 2.723 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.311 3.199 -9.457 1.00 0.00 H new ATOM 209 N THR A 13 9.610 7.992 -5.066 1.00 0.00 N ATOM 210 CA THR A 13 8.642 9.072 -4.975 1.00 0.00 C ATOM 211 C THR A 13 7.394 8.738 -5.795 1.00 0.00 C ATOM 212 O THR A 13 7.474 8.554 -7.009 1.00 0.00 O ATOM 213 CB THR A 13 9.331 10.364 -5.418 1.00 0.00 C ATOM 214 OG1 THR A 13 9.780 10.952 -4.199 1.00 0.00 O ATOM 215 CG2 THR A 13 8.348 11.388 -5.986 1.00 0.00 C ATOM 0 H THR A 13 10.320 8.115 -5.788 1.00 0.00 H new ATOM 0 HA THR A 13 8.295 9.207 -3.951 1.00 0.00 H new ATOM 0 HB THR A 13 10.087 10.133 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.241 11.795 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.890 12.285 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.842 10.964 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.611 11.645 -5.225 1.00 0.00 H new ATOM 223 N CYS A 14 6.268 8.672 -5.099 1.00 0.00 N ATOM 224 CA CYS A 14 5.004 8.363 -5.747 1.00 0.00 C ATOM 225 C CYS A 14 4.636 9.533 -6.663 1.00 0.00 C ATOM 226 O CYS A 14 4.205 10.583 -6.191 1.00 0.00 O ATOM 227 CB CYS A 14 3.903 8.068 -4.727 1.00 0.00 C ATOM 228 SG CYS A 14 4.285 6.717 -3.553 1.00 0.00 S ATOM 0 H CYS A 14 6.205 8.827 -4.093 1.00 0.00 H new ATOM 0 HA CYS A 14 5.109 7.456 -6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.700 8.976 -4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.988 7.816 -5.264 1.00 0.00 H new ATOM 233 N PRO A 15 4.821 9.310 -7.956 1.00 0.00 N ATOM 234 CA PRO A 15 4.780 10.434 -8.946 1.00 0.00 C ATOM 235 C PRO A 15 3.496 11.325 -9.071 1.00 0.00 C ATOM 236 O PRO A 15 2.551 11.171 -8.300 1.00 0.00 O ATOM 237 CB PRO A 15 5.140 9.723 -10.268 1.00 0.00 C ATOM 238 CG PRO A 15 4.775 8.252 -10.066 1.00 0.00 C ATOM 239 CD PRO A 15 5.075 7.988 -8.592 1.00 0.00 C ATOM 0 HA PRO A 15 5.460 11.217 -8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.588 10.151 -11.105 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.200 9.835 -10.495 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.726 8.067 -10.298 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.364 7.603 -10.714 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.429 7.212 -8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.103 7.659 -8.442 1.00 0.00 H new ATOM 247 N GLU A 16 3.529 12.220 -10.049 1.00 0.00 N ATOM 248 CA GLU A 16 2.408 13.114 -10.283 1.00 0.00 C ATOM 249 C GLU A 16 1.120 12.310 -10.473 1.00 0.00 C ATOM 250 O GLU A 16 1.059 11.418 -11.317 1.00 0.00 O ATOM 251 CB GLU A 16 2.671 14.019 -11.487 1.00 0.00 C ATOM 252 CG GLU A 16 1.590 15.095 -11.611 1.00 0.00 C ATOM 253 CD GLU A 16 0.411 14.594 -12.448 1.00 0.00 C ATOM 254 OE1 GLU A 16 0.682 13.895 -13.449 1.00 0.00 O ATOM 255 OE2 GLU A 16 -0.734 14.920 -12.068 1.00 0.00 O ATOM 0 H GLU A 16 4.314 12.344 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 16 2.289 13.754 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.648 14.491 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.699 13.420 -12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.241 15.381 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.013 15.989 -12.070 1.00 0.00 H new ATOM 262 N GLY A 17 0.120 12.656 -9.674 1.00 0.00 N ATOM 263 CA GLY A 17 -1.163 11.978 -9.743 1.00 0.00 C ATOM 264 C GLY A 17 -1.353 11.040 -8.549 1.00 0.00 C ATOM 265 O GLY A 17 -2.446 10.952 -7.992 1.00 0.00 O ATOM 0 H GLY A 17 0.173 13.397 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.967 12.714 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.228 11.409 -10.671 1.00 0.00 H new ATOM 269 N LYS A 18 -0.272 10.365 -8.190 1.00 0.00 N ATOM 270 CA LYS A 18 -0.306 9.437 -7.072 1.00 0.00 C ATOM 271 C LYS A 18 0.633 9.935 -5.972 1.00 0.00 C ATOM 272 O LYS A 18 1.843 9.730 -6.044 1.00 0.00 O ATOM 273 CB LYS A 18 0.002 8.015 -7.546 1.00 0.00 C ATOM 274 CG LYS A 18 -1.139 7.462 -8.402 1.00 0.00 C ATOM 275 CD LYS A 18 -0.853 6.023 -8.835 1.00 0.00 C ATOM 276 CE LYS A 18 -2.127 5.333 -9.323 1.00 0.00 C ATOM 277 NZ LYS A 18 -2.631 5.985 -10.553 1.00 0.00 N ATOM 0 H LYS A 18 0.633 10.442 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.307 9.395 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.927 8.013 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.161 7.367 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.071 7.497 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.275 8.090 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.107 6.020 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.431 5.465 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.925 4.280 -9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.890 5.372 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.414 5.425 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.969 6.942 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.864 6.047 -11.253 1.00 0.00 H new ATOM 291 N ASN A 19 0.039 10.581 -4.980 1.00 0.00 N ATOM 292 CA ASN A 19 0.807 11.112 -3.866 1.00 0.00 C ATOM 293 C ASN A 19 0.347 10.441 -2.570 1.00 0.00 C ATOM 294 O ASN A 19 0.508 11.000 -1.486 1.00 0.00 O ATOM 295 CB ASN A 19 0.596 12.620 -3.719 1.00 0.00 C ATOM 296 CG ASN A 19 1.760 13.266 -2.967 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.898 12.832 -3.040 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.414 14.326 -2.242 1.00 0.00 N ATOM 0 H ASN A 19 -0.966 10.749 -4.924 1.00 0.00 H new ATOM 0 HA ASN A 19 1.861 10.914 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.498 13.075 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.336 12.810 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.120 14.828 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.443 14.637 -2.225 1.00 0.00 H new ATOM 305 N LEU A 20 -0.217 9.253 -2.724 1.00 0.00 N ATOM 306 CA LEU A 20 -0.701 8.500 -1.580 1.00 0.00 C ATOM 307 C LEU A 20 -0.140 7.078 -1.635 1.00 0.00 C ATOM 308 O LEU A 20 -0.050 6.484 -2.708 1.00 0.00 O ATOM 309 CB LEU A 20 -2.229 8.556 -1.509 1.00 0.00 C ATOM 310 CG LEU A 20 -2.846 9.954 -1.422 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.359 9.899 -1.636 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.479 10.633 -0.101 1.00 0.00 C ATOM 0 H LEU A 20 -0.350 8.793 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.345 8.947 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.632 8.057 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.554 7.982 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.429 10.563 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.773 10.905 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.572 9.484 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.812 9.269 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.930 11.625 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.850 10.035 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.395 10.724 -0.027 1.00 0.00 H new ATOM 324 N CYS A 21 0.222 6.573 -0.465 1.00 0.00 N ATOM 325 CA CYS A 21 0.771 5.231 -0.367 1.00 0.00 C ATOM 326 C CYS A 21 -0.232 4.354 0.385 1.00 0.00 C ATOM 327 O CYS A 21 -0.705 4.726 1.458 1.00 0.00 O ATOM 328 CB CYS A 21 2.146 5.231 0.305 1.00 0.00 C ATOM 329 SG CYS A 21 3.227 6.632 -0.158 1.00 0.00 S ATOM 0 H CYS A 21 0.146 7.069 0.423 1.00 0.00 H new ATOM 0 HA CYS A 21 0.927 4.825 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.006 5.240 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.656 4.300 0.057 1.00 0.00 H new ATOM 334 N TYR A 22 -0.528 3.206 -0.208 1.00 0.00 N ATOM 335 CA TYR A 22 -1.466 2.274 0.392 1.00 0.00 C ATOM 336 C TYR A 22 -0.861 0.871 0.486 1.00 0.00 C ATOM 337 O TYR A 22 0.165 0.592 -0.131 1.00 0.00 O ATOM 338 CB TYR A 22 -2.676 2.233 -0.542 1.00 0.00 C ATOM 339 CG TYR A 22 -2.435 1.460 -1.840 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.286 0.089 -1.810 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.364 2.135 -3.041 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.060 -0.639 -3.031 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.137 1.408 -4.264 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.996 0.057 -4.198 1.00 0.00 C ATOM 345 OH TYR A 22 -1.781 -0.630 -5.352 1.00 0.00 O ATOM 0 H TYR A 22 -0.134 2.901 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.728 2.590 1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.515 1.781 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.967 3.254 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.339 -0.439 -0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.479 3.209 -3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.944 -1.713 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.080 1.924 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.760 -0.004 -6.106 1.00 0.00 H new ATOM 355 N LYS A 23 -1.524 0.026 1.261 1.00 0.00 N ATOM 356 CA LYS A 23 -1.065 -1.341 1.443 1.00 0.00 C ATOM 357 C LYS A 23 -2.275 -2.263 1.599 1.00 0.00 C ATOM 358 O LYS A 23 -3.082 -2.088 2.510 1.00 0.00 O ATOM 359 CB LYS A 23 -0.076 -1.423 2.607 1.00 0.00 C ATOM 360 CG LYS A 23 -0.614 -0.690 3.838 1.00 0.00 C ATOM 361 CD LYS A 23 0.526 -0.279 4.773 1.00 0.00 C ATOM 362 CE LYS A 23 0.357 1.169 5.240 1.00 0.00 C ATOM 363 NZ LYS A 23 0.716 1.297 6.670 1.00 0.00 N ATOM 0 H LYS A 23 -2.376 0.261 1.770 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.516 -1.679 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.113 -2.467 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.878 -0.989 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.169 0.194 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.313 -1.333 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.550 -0.943 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.481 -0.390 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.987 1.827 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.674 1.489 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.027 1.913 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.708 0.357 7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.666 1.711 6.754 1.00 0.00 H new ATOM 377 N MET A 24 -2.363 -3.229 0.694 1.00 0.00 N ATOM 378 CA MET A 24 -3.461 -4.180 0.720 1.00 0.00 C ATOM 379 C MET A 24 -3.116 -5.392 1.586 1.00 0.00 C ATOM 380 O MET A 24 -2.075 -6.020 1.396 1.00 0.00 O ATOM 381 CB MET A 24 -3.769 -4.643 -0.706 1.00 0.00 C ATOM 382 CG MET A 24 -4.727 -3.673 -1.402 1.00 0.00 C ATOM 383 SD MET A 24 -5.031 -4.212 -3.076 1.00 0.00 S ATOM 384 CE MET A 24 -3.653 -3.437 -3.905 1.00 0.00 C ATOM 0 H MET A 24 -1.692 -3.372 -0.061 1.00 0.00 H new ATOM 0 HA MET A 24 -4.334 -3.687 1.149 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.843 -4.717 -1.276 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.209 -5.640 -0.682 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.667 -3.619 -0.852 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.302 -2.669 -1.406 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.429 -3.979 -4.824 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.907 -2.405 -4.146 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.780 -3.453 -3.253 1.00 0.00 H new ATOM 394 N PHE A 25 -4.009 -5.685 2.521 1.00 0.00 N ATOM 395 CA PHE A 25 -3.812 -6.811 3.418 1.00 0.00 C ATOM 396 C PHE A 25 -4.854 -7.902 3.165 1.00 0.00 C ATOM 397 O PHE A 25 -6.041 -7.702 3.419 1.00 0.00 O ATOM 398 CB PHE A 25 -3.979 -6.282 4.844 1.00 0.00 C ATOM 399 CG PHE A 25 -2.790 -5.460 5.345 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.628 -6.080 5.684 1.00 0.00 C ATOM 401 CD2 PHE A 25 -2.897 -4.109 5.454 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.526 -5.316 6.149 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.794 -3.344 5.920 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.631 -3.965 6.257 1.00 0.00 C ATOM 0 H PHE A 25 -4.871 -5.162 2.676 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.825 -7.245 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.878 -5.667 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.135 -7.125 5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.544 -7.153 5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.821 -3.617 5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.397 -5.808 6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.879 -2.271 6.007 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.208 -3.385 6.610 1.00 0.00 H new ATOM 414 N MET A 26 -4.373 -9.033 2.669 1.00 0.00 N ATOM 415 CA MET A 26 -5.249 -10.155 2.379 1.00 0.00 C ATOM 416 C MET A 26 -5.480 -11.008 3.630 1.00 0.00 C ATOM 417 O MET A 26 -4.669 -10.991 4.554 1.00 0.00 O ATOM 418 CB MET A 26 -4.627 -11.018 1.281 1.00 0.00 C ATOM 419 CG MET A 26 -5.686 -11.473 0.274 1.00 0.00 C ATOM 420 SD MET A 26 -5.936 -13.235 0.405 1.00 0.00 S ATOM 421 CE MET A 26 -4.952 -13.792 -0.976 1.00 0.00 C ATOM 0 H MET A 26 -3.388 -9.196 2.461 1.00 0.00 H new ATOM 0 HA MET A 26 -6.210 -9.764 2.045 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.850 -10.453 0.766 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.146 -11.889 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.624 -10.950 0.459 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.372 -11.216 -0.738 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.998 -14.879 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.339 -13.357 -1.898 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.917 -13.480 -0.835 1.00 0.00 H new ATOM 431 N MET A 27 -6.588 -11.732 3.617 1.00 0.00 N ATOM 432 CA MET A 27 -6.936 -12.590 4.737 1.00 0.00 C ATOM 433 C MET A 27 -7.022 -11.785 6.036 1.00 0.00 C ATOM 434 O MET A 27 -8.114 -11.425 6.476 1.00 0.00 O ATOM 435 CB MET A 27 -5.881 -13.687 4.886 1.00 0.00 C ATOM 436 CG MET A 27 -6.254 -14.922 4.061 1.00 0.00 C ATOM 437 SD MET A 27 -6.262 -16.372 5.101 1.00 0.00 S ATOM 438 CE MET A 27 -6.987 -17.554 3.978 1.00 0.00 C ATOM 0 H MET A 27 -7.258 -11.743 2.848 1.00 0.00 H new ATOM 0 HA MET A 27 -7.911 -13.036 4.541 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.911 -13.309 4.564 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.783 -13.962 5.936 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.236 -14.784 3.608 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.543 -15.053 3.246 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.066 -18.523 4.471 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.980 -17.214 3.684 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.358 -17.648 3.092 1.00 0.00 H new ATOM 448 N SER A 28 -5.859 -11.527 6.614 1.00 0.00 N ATOM 449 CA SER A 28 -5.789 -10.773 7.854 1.00 0.00 C ATOM 450 C SER A 28 -4.601 -9.809 7.814 1.00 0.00 C ATOM 451 O SER A 28 -3.498 -10.194 7.428 1.00 0.00 O ATOM 452 CB SER A 28 -5.676 -11.706 9.060 1.00 0.00 C ATOM 453 OG SER A 28 -6.918 -12.332 9.369 1.00 0.00 O ATOM 0 H SER A 28 -4.956 -11.827 6.246 1.00 0.00 H new ATOM 0 HA SER A 28 -6.710 -10.200 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.925 -12.470 8.858 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.330 -11.140 9.925 1.00 0.00 H new ATOM 0 HG SER A 28 -6.804 -12.921 10.144 1.00 0.00 H new ATOM 459 N ASP A 29 -4.867 -8.576 8.218 1.00 0.00 N ATOM 460 CA ASP A 29 -3.833 -7.555 8.234 1.00 0.00 C ATOM 461 C ASP A 29 -2.917 -7.781 9.438 1.00 0.00 C ATOM 462 O ASP A 29 -1.753 -7.384 9.420 1.00 0.00 O ATOM 463 CB ASP A 29 -4.442 -6.157 8.359 1.00 0.00 C ATOM 464 CG ASP A 29 -5.674 -6.066 9.261 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.723 -6.604 8.845 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.539 -5.462 10.347 1.00 0.00 O ATOM 0 H ASP A 29 -5.783 -8.261 8.537 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.277 -7.624 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.680 -5.478 8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.712 -5.805 7.364 1.00 0.00 H new ATOM 471 N LEU A 30 -3.477 -8.418 10.456 1.00 0.00 N ATOM 472 CA LEU A 30 -2.725 -8.701 11.667 1.00 0.00 C ATOM 473 C LEU A 30 -1.320 -9.175 11.290 1.00 0.00 C ATOM 474 O LEU A 30 -0.373 -8.986 12.051 1.00 0.00 O ATOM 475 CB LEU A 30 -3.489 -9.687 12.553 1.00 0.00 C ATOM 476 CG LEU A 30 -4.670 -9.109 13.335 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.569 -10.224 13.875 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.187 -8.175 14.447 1.00 0.00 C ATOM 0 H LEU A 30 -4.443 -8.746 10.467 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.608 -7.796 12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.857 -10.499 11.926 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.788 -10.125 13.263 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.273 -8.512 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.401 -9.786 14.427 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.956 -10.814 13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.992 -10.867 14.539 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.046 -7.778 14.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.549 -8.729 15.136 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.621 -7.352 14.011 1.00 0.00 H new ATOM 490 N THR A 31 -1.229 -9.781 10.115 1.00 0.00 N ATOM 491 CA THR A 31 0.045 -10.282 9.628 1.00 0.00 C ATOM 492 C THR A 31 0.585 -9.378 8.518 1.00 0.00 C ATOM 493 O THR A 31 -0.100 -8.458 8.074 1.00 0.00 O ATOM 494 CB THR A 31 -0.157 -11.733 9.185 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.119 -11.645 8.136 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.849 -12.581 10.254 1.00 0.00 C ATOM 0 H THR A 31 -2.017 -9.936 9.486 1.00 0.00 H new ATOM 0 HA THR A 31 0.802 -10.268 10.412 1.00 0.00 H new ATOM 0 HB THR A 31 0.809 -12.175 8.940 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.308 -12.542 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.968 -13.601 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.244 -12.588 11.161 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.829 -12.159 10.475 1.00 0.00 H new ATOM 504 N ILE A 32 1.808 -9.672 8.102 1.00 0.00 N ATOM 505 CA ILE A 32 2.448 -8.897 7.053 1.00 0.00 C ATOM 506 C ILE A 32 1.534 -8.854 5.827 1.00 0.00 C ATOM 507 O ILE A 32 0.780 -9.792 5.577 1.00 0.00 O ATOM 508 CB ILE A 32 3.846 -9.445 6.759 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.927 -8.526 7.332 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.036 -9.687 5.260 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.412 -9.034 8.692 1.00 0.00 C ATOM 0 H ILE A 32 2.373 -10.436 8.473 1.00 0.00 H new ATOM 0 HA ILE A 32 2.596 -7.867 7.377 1.00 0.00 H new ATOM 0 HB ILE A 32 3.946 -10.410 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.767 -8.470 6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.533 -7.515 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.038 -10.076 5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.297 -10.409 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.908 -8.748 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.180 -8.364 9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.574 -9.065 9.389 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.828 -10.035 8.579 1.00 0.00 H new ATOM 523 N PRO A 33 1.631 -7.754 5.094 1.00 0.00 N ATOM 524 CA PRO A 33 0.757 -7.545 3.896 1.00 0.00 C ATOM 525 C PRO A 33 0.898 -8.481 2.647 1.00 0.00 C ATOM 526 O PRO A 33 1.615 -9.479 2.692 1.00 0.00 O ATOM 527 CB PRO A 33 1.014 -6.059 3.554 1.00 0.00 C ATOM 528 CG PRO A 33 2.420 -5.749 4.070 1.00 0.00 C ATOM 529 CD PRO A 33 2.564 -6.614 5.321 1.00 0.00 C ATOM 0 HA PRO A 33 -0.264 -7.818 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.945 -5.888 2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.273 -5.415 4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.179 -5.995 3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.533 -4.690 4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.590 -6.960 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.300 -6.058 6.221 1.00 0.00 H new ATOM 537 N VAL A 34 0.197 -8.108 1.586 1.00 0.00 N ATOM 538 CA VAL A 34 0.231 -8.882 0.357 1.00 0.00 C ATOM 539 C VAL A 34 0.684 -7.983 -0.795 1.00 0.00 C ATOM 540 O VAL A 34 1.479 -8.399 -1.636 1.00 0.00 O ATOM 541 CB VAL A 34 -1.132 -9.531 0.108 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.401 -10.646 1.121 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.250 -8.486 0.134 1.00 0.00 C ATOM 0 H VAL A 34 -0.398 -7.280 1.552 1.00 0.00 H new ATOM 0 HA VAL A 34 0.953 -9.695 0.438 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.114 -9.978 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.376 -11.091 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.629 -11.410 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.390 -10.232 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.208 -8.974 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.269 -7.997 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.071 -7.742 -0.642 1.00 0.00 H new ATOM 553 N LYS A 35 0.158 -6.767 -0.795 1.00 0.00 N ATOM 554 CA LYS A 35 0.498 -5.805 -1.830 1.00 0.00 C ATOM 555 C LYS A 35 0.527 -4.401 -1.225 1.00 0.00 C ATOM 556 O LYS A 35 -0.115 -4.146 -0.207 1.00 0.00 O ATOM 557 CB LYS A 35 -0.451 -5.941 -3.022 1.00 0.00 C ATOM 558 CG LYS A 35 0.051 -7.002 -4.004 1.00 0.00 C ATOM 559 CD LYS A 35 0.030 -6.472 -5.439 1.00 0.00 C ATOM 560 CE LYS A 35 1.343 -5.766 -5.782 1.00 0.00 C ATOM 561 NZ LYS A 35 1.202 -4.984 -7.031 1.00 0.00 N ATOM 0 H LYS A 35 -0.501 -6.426 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 35 1.495 -6.005 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.447 -6.209 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.540 -4.982 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.065 -7.300 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.572 -7.893 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.136 -7.296 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.803 -5.779 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.632 -5.106 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.139 -6.502 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.103 -4.512 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.948 -5.621 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.456 -4.269 -6.911 1.00 0.00 H new ATOM 575 N ARG A 36 1.278 -3.525 -1.876 1.00 0.00 N ATOM 576 CA ARG A 36 1.399 -2.152 -1.416 1.00 0.00 C ATOM 577 C ARG A 36 2.046 -1.284 -2.496 1.00 0.00 C ATOM 578 O ARG A 36 3.045 -1.676 -3.098 1.00 0.00 O ATOM 579 CB ARG A 36 2.238 -2.073 -0.138 1.00 0.00 C ATOM 580 CG ARG A 36 3.682 -2.502 -0.403 1.00 0.00 C ATOM 581 CD ARG A 36 4.214 -3.371 0.739 1.00 0.00 C ATOM 582 NE ARG A 36 3.853 -4.787 0.507 1.00 0.00 N ATOM 583 CZ ARG A 36 4.322 -5.811 1.235 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.175 -5.581 2.243 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.940 -7.064 0.952 1.00 0.00 N ATOM 0 H ARG A 36 1.810 -3.740 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 36 0.395 -1.784 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.223 -1.054 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.800 -2.712 0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.735 -3.055 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.312 -1.620 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.297 -3.270 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.799 -3.032 1.688 1.00 0.00 H new ATOM 0 HE ARG A 36 3.207 -4.997 -0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.467 -4.627 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.532 -6.360 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.293 -7.239 0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.296 -7.843 1.505 1.00 0.00 H new ATOM 599 N GLY A 37 1.449 -0.121 -2.712 1.00 0.00 N ATOM 600 CA GLY A 37 1.955 0.806 -3.710 1.00 0.00 C ATOM 601 C GLY A 37 1.415 2.218 -3.470 1.00 0.00 C ATOM 602 O GLY A 37 0.987 2.543 -2.364 1.00 0.00 O ATOM 0 H GLY A 37 0.620 0.200 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.045 0.819 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.668 0.467 -4.705 1.00 0.00 H new ATOM 606 N CYS A 38 1.452 3.019 -4.526 1.00 0.00 N ATOM 607 CA CYS A 38 0.973 4.387 -4.444 1.00 0.00 C ATOM 608 C CYS A 38 -0.382 4.465 -5.151 1.00 0.00 C ATOM 609 O CYS A 38 -0.757 3.550 -5.884 1.00 0.00 O ATOM 610 CB CYS A 38 1.981 5.377 -5.031 1.00 0.00 C ATOM 611 SG CYS A 38 3.730 5.015 -4.635 1.00 0.00 S ATOM 0 H CYS A 38 1.807 2.745 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 38 0.853 4.670 -3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.864 5.394 -6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.740 6.377 -4.669 1.00 0.00 H new ATOM 616 N ILE A 39 -1.079 5.565 -4.907 1.00 0.00 N ATOM 617 CA ILE A 39 -2.384 5.774 -5.513 1.00 0.00 C ATOM 618 C ILE A 39 -2.785 7.241 -5.354 1.00 0.00 C ATOM 619 O ILE A 39 -2.077 8.016 -4.713 1.00 0.00 O ATOM 620 CB ILE A 39 -3.405 4.791 -4.936 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.633 4.682 -5.842 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.782 5.170 -3.502 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.126 3.236 -5.925 1.00 0.00 C ATOM 0 H ILE A 39 -0.765 6.321 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.346 5.568 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.945 3.804 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.430 5.320 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.386 5.044 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.509 4.455 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.890 5.155 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.216 6.170 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.000 3.186 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.335 2.605 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.395 2.885 -4.929 1.00 0.00 H new ATOM 635 N ASP A 40 -3.920 7.578 -5.950 1.00 0.00 N ATOM 636 CA ASP A 40 -4.424 8.939 -5.884 1.00 0.00 C ATOM 637 C ASP A 40 -5.703 8.965 -5.044 1.00 0.00 C ATOM 638 O ASP A 40 -5.953 9.924 -4.315 1.00 0.00 O ATOM 639 CB ASP A 40 -4.764 9.470 -7.278 1.00 0.00 C ATOM 640 CG ASP A 40 -5.128 10.955 -7.335 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.389 11.516 -6.248 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.136 11.495 -8.461 1.00 0.00 O ATOM 0 H ASP A 40 -4.504 6.932 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.649 9.563 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.912 9.295 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.597 8.892 -7.677 1.00 0.00 H new ATOM 647 N VAL A 41 -6.479 7.898 -5.174 1.00 0.00 N ATOM 648 CA VAL A 41 -7.726 7.787 -4.436 1.00 0.00 C ATOM 649 C VAL A 41 -7.842 6.377 -3.851 1.00 0.00 C ATOM 650 O VAL A 41 -7.688 5.389 -4.567 1.00 0.00 O ATOM 651 CB VAL A 41 -8.904 8.157 -5.339 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.237 7.832 -4.663 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.840 9.631 -5.746 1.00 0.00 C ATOM 0 H VAL A 41 -6.268 7.104 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.740 8.489 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.834 7.555 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.058 8.105 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.285 6.765 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.320 8.395 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.689 9.868 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.873 10.257 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.912 9.819 -6.287 1.00 0.00 H new ATOM 663 N CYS A 42 -8.112 6.331 -2.554 1.00 0.00 N ATOM 664 CA CYS A 42 -8.250 5.059 -1.865 1.00 0.00 C ATOM 665 C CYS A 42 -9.469 4.332 -2.437 1.00 0.00 C ATOM 666 O CYS A 42 -10.589 4.834 -2.360 1.00 0.00 O ATOM 667 CB CYS A 42 -8.357 5.246 -0.350 1.00 0.00 C ATOM 668 SG CYS A 42 -7.944 3.763 0.638 1.00 0.00 S ATOM 0 H CYS A 42 -8.239 7.153 -1.963 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.358 4.455 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.696 6.060 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.374 5.555 -0.107 1.00 0.00 H new ATOM 673 N PRO A 43 -9.208 3.161 -2.999 1.00 0.00 N ATOM 674 CA PRO A 43 -10.305 2.183 -3.290 1.00 0.00 C ATOM 675 C PRO A 43 -11.121 1.545 -2.113 1.00 0.00 C ATOM 676 O PRO A 43 -10.680 1.562 -0.965 1.00 0.00 O ATOM 677 CB PRO A 43 -9.585 1.124 -4.154 1.00 0.00 C ATOM 678 CG PRO A 43 -8.259 1.760 -4.576 1.00 0.00 C ATOM 679 CD PRO A 43 -7.890 2.673 -3.409 1.00 0.00 C ATOM 0 HA PRO A 43 -11.130 2.718 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.416 0.207 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.184 0.856 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.492 1.004 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.365 2.323 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.384 2.133 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.228 3.483 -3.714 1.00 0.00 H new ATOM 687 N LYS A 44 -12.281 1.008 -2.463 1.00 0.00 N ATOM 688 CA LYS A 44 -13.143 0.381 -1.475 1.00 0.00 C ATOM 689 C LYS A 44 -12.563 -0.982 -1.091 1.00 0.00 C ATOM 690 O LYS A 44 -12.314 -1.820 -1.956 1.00 0.00 O ATOM 691 CB LYS A 44 -14.584 0.314 -1.986 1.00 0.00 C ATOM 692 CG LYS A 44 -15.037 1.673 -2.525 1.00 0.00 C ATOM 693 CD LYS A 44 -16.033 1.502 -3.675 1.00 0.00 C ATOM 694 CE LYS A 44 -15.306 1.410 -5.018 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.742 2.499 -5.919 1.00 0.00 N ATOM 0 H LYS A 44 -12.644 0.994 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.179 0.981 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.661 -0.437 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.246 -0.000 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.497 2.251 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.171 2.239 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.627 0.602 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.726 2.343 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.229 1.470 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.507 0.444 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.239 2.422 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.766 2.424 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.528 3.418 -5.482 1.00 0.00 H new ATOM 709 N ASN A 45 -12.367 -1.162 0.207 1.00 0.00 N ATOM 710 CA ASN A 45 -11.821 -2.408 0.716 1.00 0.00 C ATOM 711 C ASN A 45 -12.908 -3.485 0.688 1.00 0.00 C ATOM 712 O ASN A 45 -14.089 -3.176 0.538 1.00 0.00 O ATOM 713 CB ASN A 45 -11.349 -2.253 2.163 1.00 0.00 C ATOM 714 CG ASN A 45 -10.749 -3.560 2.687 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.936 -4.202 2.043 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.195 -3.915 3.889 1.00 0.00 N ATOM 0 H ASN A 45 -12.577 -0.465 0.922 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.975 -2.686 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.606 -1.458 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.187 -1.955 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.855 -4.772 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.876 -3.331 4.373 1.00 0.00 H new ATOM 723 N SER A 46 -12.471 -4.727 0.832 1.00 0.00 N ATOM 724 CA SER A 46 -13.392 -5.851 0.825 1.00 0.00 C ATOM 725 C SER A 46 -13.405 -6.526 2.198 1.00 0.00 C ATOM 726 O SER A 46 -12.749 -6.060 3.129 1.00 0.00 O ATOM 727 CB SER A 46 -13.018 -6.862 -0.260 1.00 0.00 C ATOM 728 OG SER A 46 -11.752 -7.469 -0.010 1.00 0.00 O ATOM 0 H SER A 46 -11.491 -4.980 0.954 1.00 0.00 H new ATOM 0 HA SER A 46 -14.390 -5.474 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.785 -7.634 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.996 -6.363 -1.229 1.00 0.00 H new ATOM 0 HG SER A 46 -11.550 -8.109 -0.724 1.00 0.00 H new ATOM 734 N LEU A 47 -14.159 -7.612 2.281 1.00 0.00 N ATOM 735 CA LEU A 47 -14.266 -8.356 3.525 1.00 0.00 C ATOM 736 C LEU A 47 -13.209 -9.461 3.546 1.00 0.00 C ATOM 737 O LEU A 47 -13.090 -10.193 4.527 1.00 0.00 O ATOM 738 CB LEU A 47 -15.695 -8.867 3.722 1.00 0.00 C ATOM 739 CG LEU A 47 -15.831 -10.235 4.394 1.00 0.00 C ATOM 740 CD1 LEU A 47 -15.536 -10.142 5.892 1.00 0.00 C ATOM 741 CD2 LEU A 47 -17.205 -10.848 4.116 1.00 0.00 C ATOM 0 H LEU A 47 -14.702 -7.995 1.507 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.064 -7.706 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.242 -8.136 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.181 -8.913 2.747 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.087 -10.904 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.640 -11.128 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.519 -9.780 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.239 -9.452 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.276 -11.820 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.982 -10.190 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.337 -10.972 3.041 1.00 0.00 H new ATOM 753 N LEU A 48 -12.467 -9.548 2.451 1.00 0.00 N ATOM 754 CA LEU A 48 -11.423 -10.552 2.331 1.00 0.00 C ATOM 755 C LEU A 48 -10.056 -9.871 2.402 1.00 0.00 C ATOM 756 O LEU A 48 -9.057 -10.510 2.728 1.00 0.00 O ATOM 757 CB LEU A 48 -11.629 -11.390 1.067 1.00 0.00 C ATOM 758 CG LEU A 48 -11.243 -12.867 1.171 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.768 -13.023 1.546 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.164 -13.606 2.144 1.00 0.00 C ATOM 0 H LEU A 48 -12.568 -8.939 1.639 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.472 -11.255 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.679 -11.329 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.052 -10.940 0.259 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.375 -13.325 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.520 -14.082 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.147 -12.553 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.585 -12.546 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.869 -14.654 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.087 -13.154 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.194 -13.538 1.793 1.00 0.00 H new ATOM 772 N VAL A 49 -10.055 -8.583 2.091 1.00 0.00 N ATOM 773 CA VAL A 49 -8.825 -7.808 2.116 1.00 0.00 C ATOM 774 C VAL A 49 -9.033 -6.559 2.974 1.00 0.00 C ATOM 775 O VAL A 49 -10.164 -6.216 3.316 1.00 0.00 O ATOM 776 CB VAL A 49 -8.382 -7.485 0.687 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.984 -6.866 0.675 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.438 -8.731 -0.199 1.00 0.00 C ATOM 0 H VAL A 49 -10.886 -8.056 1.820 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.019 -8.384 2.570 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.077 -6.752 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.692 -6.646 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.989 -5.944 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.272 -7.566 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.118 -8.474 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.777 -9.496 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.459 -9.112 -0.227 1.00 0.00 H new ATOM 788 N LYS A 50 -7.923 -5.912 3.298 1.00 0.00 N ATOM 789 CA LYS A 50 -7.968 -4.708 4.110 1.00 0.00 C ATOM 790 C LYS A 50 -7.014 -3.666 3.523 1.00 0.00 C ATOM 791 O LYS A 50 -5.796 -3.812 3.615 1.00 0.00 O ATOM 792 CB LYS A 50 -7.689 -5.040 5.577 1.00 0.00 C ATOM 793 CG LYS A 50 -8.986 -5.355 6.325 1.00 0.00 C ATOM 794 CD LYS A 50 -9.370 -6.827 6.161 1.00 0.00 C ATOM 795 CE LYS A 50 -10.879 -6.981 5.965 1.00 0.00 C ATOM 796 NZ LYS A 50 -11.444 -7.896 6.982 1.00 0.00 N ATOM 0 H LYS A 50 -6.987 -6.199 3.013 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.967 -4.273 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.013 -5.893 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.185 -4.200 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.865 -5.123 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.790 -4.722 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.843 -7.251 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.055 -7.389 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.362 -6.006 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.084 -7.367 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.469 -7.989 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.996 -8.830 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.265 -7.512 7.932 1.00 0.00 H new ATOM 810 N TYR A 51 -7.604 -2.637 2.933 1.00 0.00 N ATOM 811 CA TYR A 51 -6.821 -1.570 2.330 1.00 0.00 C ATOM 812 C TYR A 51 -6.421 -0.527 3.376 1.00 0.00 C ATOM 813 O TYR A 51 -7.240 -0.121 4.199 1.00 0.00 O ATOM 814 CB TYR A 51 -7.733 -0.912 1.294 1.00 0.00 C ATOM 815 CG TYR A 51 -7.696 -1.581 -0.082 1.00 0.00 C ATOM 816 CD1 TYR A 51 -7.944 -2.934 -0.198 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.413 -0.833 -1.206 1.00 0.00 C ATOM 818 CE1 TYR A 51 -7.908 -3.564 -1.492 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.378 -1.463 -2.500 1.00 0.00 C ATOM 820 CZ TYR A 51 -7.628 -2.798 -2.580 1.00 0.00 C ATOM 821 OH TYR A 51 -7.594 -3.393 -3.802 1.00 0.00 O ATOM 0 H TYR A 51 -8.614 -2.519 2.859 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.906 -1.966 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.757 -0.926 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.447 0.134 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.165 -3.520 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.218 0.225 -1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.099 -4.622 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.158 -0.889 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.021 -4.187 -3.763 1.00 0.00 H new ATOM 831 N VAL A 52 -5.161 -0.121 3.309 1.00 0.00 N ATOM 832 CA VAL A 52 -4.643 0.868 4.239 1.00 0.00 C ATOM 833 C VAL A 52 -3.943 1.980 3.456 1.00 0.00 C ATOM 834 O VAL A 52 -2.779 1.843 3.082 1.00 0.00 O ATOM 835 CB VAL A 52 -3.730 0.193 5.265 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.412 1.142 6.423 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.350 -1.109 5.778 1.00 0.00 C ATOM 0 H VAL A 52 -4.484 -0.459 2.625 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.456 1.328 4.800 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.793 -0.056 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.762 0.638 7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.910 2.030 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.338 1.435 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.681 -1.569 6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.308 -0.894 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.503 -1.793 4.943 1.00 0.00 H new ATOM 847 N CYS A 53 -4.681 3.057 3.231 1.00 0.00 N ATOM 848 CA CYS A 53 -4.145 4.192 2.499 1.00 0.00 C ATOM 849 C CYS A 53 -3.587 5.195 3.510 1.00 0.00 C ATOM 850 O CYS A 53 -4.057 5.264 4.645 1.00 0.00 O ATOM 851 CB CYS A 53 -5.198 4.826 1.588 1.00 0.00 C ATOM 852 SG CYS A 53 -5.867 3.713 0.298 1.00 0.00 S ATOM 0 H CYS A 53 -5.646 3.168 3.543 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.344 3.857 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.023 5.183 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.761 5.699 1.104 1.00 0.00 H new ATOM 857 N CYS A 54 -2.593 5.948 3.062 1.00 0.00 N ATOM 858 CA CYS A 54 -1.965 6.944 3.913 1.00 0.00 C ATOM 859 C CYS A 54 -1.357 8.026 3.020 1.00 0.00 C ATOM 860 O CYS A 54 -1.306 7.872 1.800 1.00 0.00 O ATOM 861 CB CYS A 54 -0.923 6.319 4.842 1.00 0.00 C ATOM 862 SG CYS A 54 -0.482 4.587 4.446 1.00 0.00 S ATOM 0 H CYS A 54 -2.207 5.888 2.120 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.715 7.392 4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.018 6.926 4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.298 6.359 5.865 1.00 0.00 H new ATOM 867 N ASN A 55 -0.912 9.097 3.660 1.00 0.00 N ATOM 868 CA ASN A 55 -0.310 10.204 2.938 1.00 0.00 C ATOM 869 C ASN A 55 1.014 10.583 3.606 1.00 0.00 C ATOM 870 O ASN A 55 1.459 11.726 3.505 1.00 0.00 O ATOM 871 CB ASN A 55 -1.219 11.435 2.959 1.00 0.00 C ATOM 872 CG ASN A 55 -1.211 12.100 4.337 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.641 13.159 4.541 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.874 11.420 5.268 1.00 0.00 N ATOM 0 H ASN A 55 -0.956 9.221 4.671 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.154 9.888 1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.888 12.149 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.237 11.144 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.928 11.780 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.329 10.539 5.029 1.00 0.00 H new ATOM 881 N THR A 56 1.605 9.603 4.272 1.00 0.00 N ATOM 882 CA THR A 56 2.869 9.819 4.956 1.00 0.00 C ATOM 883 C THR A 56 3.988 9.037 4.267 1.00 0.00 C ATOM 884 O THR A 56 3.796 7.889 3.871 1.00 0.00 O ATOM 885 CB THR A 56 2.680 9.443 6.427 1.00 0.00 C ATOM 886 OG1 THR A 56 2.278 8.077 6.387 1.00 0.00 O ATOM 887 CG2 THR A 56 1.494 10.163 7.069 1.00 0.00 C ATOM 0 H THR A 56 1.232 8.657 4.353 1.00 0.00 H new ATOM 0 HA THR A 56 3.171 10.865 4.910 1.00 0.00 H new ATOM 0 HB THR A 56 3.589 9.679 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.000 7.513 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.406 9.860 8.112 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.651 11.240 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.579 9.903 6.537 1.00 0.00 H new ATOM 895 N ASP A 57 5.135 9.691 4.145 1.00 0.00 N ATOM 896 CA ASP A 57 6.286 9.071 3.512 1.00 0.00 C ATOM 897 C ASP A 57 6.694 7.830 4.306 1.00 0.00 C ATOM 898 O ASP A 57 7.023 7.924 5.488 1.00 0.00 O ATOM 899 CB ASP A 57 7.480 10.027 3.482 1.00 0.00 C ATOM 900 CG ASP A 57 7.175 11.426 2.946 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.034 11.542 1.709 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.090 12.350 3.784 1.00 0.00 O ATOM 0 H ASP A 57 5.291 10.644 4.474 1.00 0.00 H new ATOM 0 HA ASP A 57 6.008 8.809 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.877 10.120 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.266 9.584 2.871 1.00 0.00 H new ATOM 907 N ARG A 58 6.660 6.693 3.626 1.00 0.00 N ATOM 908 CA ARG A 58 7.021 5.434 4.254 1.00 0.00 C ATOM 909 C ARG A 58 5.923 4.989 5.222 1.00 0.00 C ATOM 910 O ARG A 58 6.213 4.488 6.308 1.00 0.00 O ATOM 911 CB ARG A 58 8.343 5.557 5.015 1.00 0.00 C ATOM 912 CG ARG A 58 9.299 6.514 4.300 1.00 0.00 C ATOM 913 CD ARG A 58 10.748 6.249 4.711 1.00 0.00 C ATOM 914 NE ARG A 58 11.082 7.030 5.924 1.00 0.00 N ATOM 915 CZ ARG A 58 12.106 6.746 6.741 1.00 0.00 C ATOM 916 NH1 ARG A 58 12.904 5.702 6.479 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.334 7.509 7.818 1.00 0.00 N ATOM 0 H ARG A 58 6.388 6.618 2.646 1.00 0.00 H new ATOM 0 HA ARG A 58 7.137 4.691 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.153 5.916 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.807 4.575 5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.196 6.398 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.033 7.544 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.892 5.186 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.421 6.520 3.897 1.00 0.00 H new ATOM 0 HE ARG A 58 10.497 7.834 6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.733 5.123 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.683 5.487 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.729 8.306 8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.113 7.293 8.440 1.00 0.00 H new ATOM 931 N CYS A 59 4.685 5.186 4.794 1.00 0.00 N ATOM 932 CA CYS A 59 3.543 4.811 5.610 1.00 0.00 C ATOM 933 C CYS A 59 3.386 3.290 5.548 1.00 0.00 C ATOM 934 O CYS A 59 3.015 2.660 6.537 1.00 0.00 O ATOM 935 CB CYS A 59 2.268 5.533 5.165 1.00 0.00 C ATOM 936 SG CYS A 59 1.390 4.749 3.767 1.00 0.00 S ATOM 0 H CYS A 59 4.448 5.600 3.893 1.00 0.00 H new ATOM 0 HA CYS A 59 3.715 5.117 6.642 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.587 5.595 6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.525 6.555 4.887 1.00 0.00 H new ATOM 941 N ASN A 60 3.678 2.745 4.377 1.00 0.00 N ATOM 942 CA ASN A 60 3.575 1.309 4.173 1.00 0.00 C ATOM 943 C ASN A 60 4.914 0.653 4.512 1.00 0.00 C ATOM 944 O ASN A 60 5.194 -0.460 4.069 1.00 0.00 O ATOM 945 CB ASN A 60 3.243 0.982 2.716 1.00 0.00 C ATOM 946 CG ASN A 60 4.441 1.257 1.806 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.489 1.711 2.235 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.230 0.956 0.527 1.00 0.00 N ATOM 0 H ASN A 60 3.986 3.271 3.559 1.00 0.00 H new ATOM 0 HA ASN A 60 2.780 0.933 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.951 -0.065 2.632 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.390 1.578 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.970 1.102 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.329 0.579 0.234 1.00 0.00 H new TER 955 ASN A 60