USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 493 hydrogens (2 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 24 MET CE :methyl -140:sc= -1.16 (180deg=-0.171) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.245 USER MOD Set 2.1: A 1 LEU N :NH3+ 165:sc= 0.158 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.358 K(o=-0.2,f=-3.2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.72 K(o=-3.7,f=-8.8!) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0189) 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= -1.18 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.098 USER MOD Single : A 23 LYS NZ :NH3+ -106:sc= 1.08 (180deg=-0.338) 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= 0.0177 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= -3.57! C(o=-3.6!,f=-12!) USER MOD Single : A 46 SER OG : rot 35:sc= 1.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.8) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 60 ASN : amide:sc= 0.322 K(o=0.32,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -11.180 8.102 -2.038 1.00 0.00 N ATOM 2 CA LEU A 1 -11.003 6.912 -2.854 1.00 0.00 C ATOM 3 C LEU A 1 -11.381 5.676 -2.034 1.00 0.00 C ATOM 4 O LEU A 1 -11.252 5.675 -0.811 1.00 0.00 O ATOM 5 CB LEU A 1 -9.584 6.860 -3.425 1.00 0.00 C ATOM 6 CG LEU A 1 -9.476 6.579 -4.925 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.964 7.809 -5.677 1.00 0.00 C ATOM 8 CD2 LEU A 1 -8.612 5.346 -5.190 1.00 0.00 C ATOM 0 H1 LEU A 1 -10.694 8.905 -2.486 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.194 8.315 -1.951 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.778 7.938 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.669 6.939 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.095 7.812 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.026 6.091 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.474 6.361 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.896 7.583 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.652 8.641 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.978 8.081 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.551 5.168 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -7.611 5.511 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.057 4.478 -4.703 1.00 0.00 H new ATOM 20 N LYS A 2 -11.841 4.655 -2.742 1.00 0.00 N ATOM 21 CA LYS A 2 -12.239 3.416 -2.095 1.00 0.00 C ATOM 22 C LYS A 2 -11.118 2.386 -2.243 1.00 0.00 C ATOM 23 O LYS A 2 -10.745 2.024 -3.357 1.00 0.00 O ATOM 24 CB LYS A 2 -13.588 2.939 -2.636 1.00 0.00 C ATOM 25 CG LYS A 2 -14.656 4.024 -2.484 1.00 0.00 C ATOM 26 CD LYS A 2 -16.050 3.470 -2.783 1.00 0.00 C ATOM 27 CE LYS A 2 -16.680 4.186 -3.978 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.129 3.892 -4.053 1.00 0.00 N ATOM 0 H LYS A 2 -11.947 4.660 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.388 3.574 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.487 2.668 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.900 2.040 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.630 4.425 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.437 4.851 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.984 2.402 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.688 3.588 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.525 5.261 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.190 3.869 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.542 4.386 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.270 2.867 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.595 4.216 -3.181 1.00 0.00 H new ATOM 42 N CYS A 3 -10.611 1.942 -1.101 1.00 0.00 N ATOM 43 CA CYS A 3 -9.540 0.961 -1.090 1.00 0.00 C ATOM 44 C CYS A 3 -10.118 -0.376 -0.620 1.00 0.00 C ATOM 45 O CYS A 3 -11.072 -0.405 0.155 1.00 0.00 O ATOM 46 CB CYS A 3 -8.367 1.413 -0.218 1.00 0.00 C ATOM 47 SG CYS A 3 -8.081 3.207 -0.436 1.00 0.00 S ATOM 0 H CYS A 3 -10.923 2.244 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.137 0.848 -2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.576 1.194 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.468 0.858 -0.486 1.00 0.00 H new ATOM 52 N ASN A 4 -9.515 -1.450 -1.110 1.00 0.00 N ATOM 53 CA ASN A 4 -9.959 -2.786 -0.750 1.00 0.00 C ATOM 54 C ASN A 4 -9.136 -3.289 0.438 1.00 0.00 C ATOM 55 O ASN A 4 -8.066 -2.755 0.726 1.00 0.00 O ATOM 56 CB ASN A 4 -9.761 -3.763 -1.910 1.00 0.00 C ATOM 57 CG ASN A 4 -10.488 -3.277 -3.166 1.00 0.00 C ATOM 58 OD1 ASN A 4 -11.171 -2.267 -3.167 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.305 -4.054 -4.231 1.00 0.00 N ATOM 0 H ASN A 4 -8.723 -1.422 -1.753 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.019 -2.734 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.697 -3.872 -2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.133 -4.748 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.750 -3.817 -5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.720 -4.886 -4.160 1.00 0.00 H new ATOM 66 N LYS A 5 -9.665 -4.311 1.094 1.00 0.00 N ATOM 67 CA LYS A 5 -8.993 -4.892 2.243 1.00 0.00 C ATOM 68 C LYS A 5 -8.021 -5.973 1.767 1.00 0.00 C ATOM 69 O LYS A 5 -7.487 -5.890 0.663 1.00 0.00 O ATOM 70 CB LYS A 5 -10.015 -5.391 3.266 1.00 0.00 C ATOM 71 CG LYS A 5 -11.073 -4.323 3.550 1.00 0.00 C ATOM 72 CD LYS A 5 -12.482 -4.868 3.308 1.00 0.00 C ATOM 73 CE LYS A 5 -13.126 -5.325 4.619 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.292 -4.476 4.947 1.00 0.00 N ATOM 0 H LYS A 5 -10.552 -4.752 0.851 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.402 -4.137 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.497 -6.295 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.507 -5.660 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.983 -3.983 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.900 -3.456 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.099 -4.098 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.438 -5.704 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.439 -6.366 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.395 -5.277 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.826 -4.906 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.964 -3.531 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.907 -4.393 4.112 1.00 0.00 H new ATOM 88 N LEU A 6 -7.821 -6.963 2.625 1.00 0.00 N ATOM 89 CA LEU A 6 -6.922 -8.060 2.306 1.00 0.00 C ATOM 90 C LEU A 6 -7.377 -8.722 1.003 1.00 0.00 C ATOM 91 O LEU A 6 -6.550 -9.192 0.222 1.00 0.00 O ATOM 92 CB LEU A 6 -6.820 -9.028 3.485 1.00 0.00 C ATOM 93 CG LEU A 6 -6.317 -10.435 3.155 1.00 0.00 C ATOM 94 CD1 LEU A 6 -4.790 -10.465 3.063 1.00 0.00 C ATOM 95 CD2 LEU A 6 -6.850 -11.458 4.161 1.00 0.00 C ATOM 0 H LEU A 6 -8.266 -7.029 3.541 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.910 -7.689 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.156 -8.592 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.804 -9.114 3.945 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.704 -10.714 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.459 -11.477 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.459 -9.784 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.362 -10.156 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.478 -12.450 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.513 -11.193 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.940 -11.461 4.134 1.00 0.00 H new ATOM 107 N VAL A 7 -8.686 -8.737 0.809 1.00 0.00 N ATOM 108 CA VAL A 7 -9.260 -9.335 -0.385 1.00 0.00 C ATOM 109 C VAL A 7 -9.915 -8.242 -1.233 1.00 0.00 C ATOM 110 O VAL A 7 -10.575 -7.351 -0.700 1.00 0.00 O ATOM 111 CB VAL A 7 -10.230 -10.452 0.002 1.00 0.00 C ATOM 112 CG1 VAL A 7 -10.962 -10.993 -1.227 1.00 0.00 C ATOM 113 CG2 VAL A 7 -9.505 -11.575 0.746 1.00 0.00 C ATOM 0 H VAL A 7 -9.367 -8.344 1.459 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.481 -9.796 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.975 -10.029 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.645 -11.786 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.526 -10.188 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.237 -11.391 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.218 -12.356 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.728 -11.993 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.051 -11.177 1.654 1.00 0.00 H new ATOM 123 N PRO A 8 -9.703 -8.349 -2.571 1.00 0.00 N ATOM 124 CA PRO A 8 -10.265 -7.381 -3.498 1.00 0.00 C ATOM 125 C PRO A 8 -11.767 -7.606 -3.682 1.00 0.00 C ATOM 126 O PRO A 8 -12.261 -7.631 -4.808 1.00 0.00 O ATOM 127 CB PRO A 8 -9.475 -7.561 -4.784 1.00 0.00 C ATOM 128 CG PRO A 8 -8.821 -8.930 -4.682 1.00 0.00 C ATOM 129 CD PRO A 8 -8.926 -9.391 -3.237 1.00 0.00 C ATOM 0 HA PRO A 8 -10.182 -6.356 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.128 -7.504 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.726 -6.777 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.315 -9.639 -5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.777 -8.878 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.420 -10.360 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.941 -9.501 -2.784 1.00 0.00 H new ATOM 137 N ILE A 9 -12.451 -7.763 -2.559 1.00 0.00 N ATOM 138 CA ILE A 9 -13.887 -7.986 -2.582 1.00 0.00 C ATOM 139 C ILE A 9 -14.580 -6.901 -1.755 1.00 0.00 C ATOM 140 O ILE A 9 -15.495 -6.236 -2.239 1.00 0.00 O ATOM 141 CB ILE A 9 -14.216 -9.409 -2.129 1.00 0.00 C ATOM 142 CG1 ILE A 9 -15.560 -9.868 -2.697 1.00 0.00 C ATOM 143 CG2 ILE A 9 -14.170 -9.523 -0.603 1.00 0.00 C ATOM 144 CD1 ILE A 9 -16.713 -9.470 -1.772 1.00 0.00 C ATOM 0 H ILE A 9 -12.038 -7.740 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.269 -7.905 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.453 -10.079 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.711 -9.428 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.552 -10.950 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.408 -10.545 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.172 -9.266 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.898 -8.840 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.656 -9.809 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.571 -9.932 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.733 -8.386 -1.662 1.00 0.00 H new ATOM 156 N ALA A 10 -14.118 -6.756 -0.522 1.00 0.00 N ATOM 157 CA ALA A 10 -14.682 -5.763 0.377 1.00 0.00 C ATOM 158 C ALA A 10 -13.733 -4.566 0.466 1.00 0.00 C ATOM 159 O ALA A 10 -12.528 -4.735 0.646 1.00 0.00 O ATOM 160 CB ALA A 10 -14.945 -6.401 1.742 1.00 0.00 C ATOM 0 H ALA A 10 -13.359 -7.310 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 10 -15.637 -5.400 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -15.368 -5.656 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.646 -7.228 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.008 -6.774 2.156 1.00 0.00 H new ATOM 166 N TYR A 11 -14.314 -3.381 0.339 1.00 0.00 N ATOM 167 CA TYR A 11 -13.536 -2.156 0.403 1.00 0.00 C ATOM 168 C TYR A 11 -14.301 -1.059 1.147 1.00 0.00 C ATOM 169 O TYR A 11 -15.530 -1.081 1.199 1.00 0.00 O ATOM 170 CB TYR A 11 -13.320 -1.717 -1.047 1.00 0.00 C ATOM 171 CG TYR A 11 -14.594 -1.718 -1.894 1.00 0.00 C ATOM 172 CD1 TYR A 11 -15.265 -0.536 -2.132 1.00 0.00 C ATOM 173 CD2 TYR A 11 -15.072 -2.901 -2.419 1.00 0.00 C ATOM 174 CE1 TYR A 11 -16.464 -0.537 -2.929 1.00 0.00 C ATOM 175 CE2 TYR A 11 -16.271 -2.902 -3.217 1.00 0.00 C ATOM 176 CZ TYR A 11 -16.907 -1.720 -3.432 1.00 0.00 C ATOM 177 OH TYR A 11 -18.041 -1.721 -4.186 1.00 0.00 O ATOM 0 H TYR A 11 -15.314 -3.244 0.192 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.598 -2.324 0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.893 -0.714 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -12.587 -2.378 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -14.891 0.390 -1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -14.547 -3.826 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -16.999 0.381 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -16.656 -3.821 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 11 -18.238 -2.635 -4.479 1.00 0.00 H new ATOM 187 N LYS A 12 -13.543 -0.126 1.703 1.00 0.00 N ATOM 188 CA LYS A 12 -14.134 0.977 2.441 1.00 0.00 C ATOM 189 C LYS A 12 -13.664 2.301 1.835 1.00 0.00 C ATOM 190 O LYS A 12 -12.789 2.316 0.970 1.00 0.00 O ATOM 191 CB LYS A 12 -13.834 0.843 3.935 1.00 0.00 C ATOM 192 CG LYS A 12 -15.064 0.349 4.699 1.00 0.00 C ATOM 193 CD LYS A 12 -16.073 1.480 4.908 1.00 0.00 C ATOM 194 CE LYS A 12 -15.590 2.453 5.985 1.00 0.00 C ATOM 195 NZ LYS A 12 -16.412 2.321 7.209 1.00 0.00 N ATOM 0 H LYS A 12 -12.524 -0.111 1.657 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.220 0.955 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.007 0.149 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.517 1.807 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.535 -0.466 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.759 -0.053 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.224 2.015 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.038 1.063 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.544 2.255 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.645 3.475 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.071 2.988 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.405 2.532 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.338 1.350 7.574 1.00 0.00 H new ATOM 209 N THR A 13 -14.264 3.380 2.315 1.00 0.00 N ATOM 210 CA THR A 13 -13.917 4.706 1.830 1.00 0.00 C ATOM 211 C THR A 13 -12.905 5.368 2.768 1.00 0.00 C ATOM 212 O THR A 13 -13.110 5.407 3.980 1.00 0.00 O ATOM 213 CB THR A 13 -15.212 5.506 1.672 1.00 0.00 C ATOM 214 OG1 THR A 13 -15.561 5.331 0.302 1.00 0.00 O ATOM 215 CG2 THR A 13 -14.991 7.013 1.811 1.00 0.00 C ATOM 0 H THR A 13 -14.987 3.364 3.034 1.00 0.00 H new ATOM 0 HA THR A 13 -13.428 4.656 0.857 1.00 0.00 H new ATOM 0 HB THR A 13 -15.936 5.176 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.391 5.816 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.941 7.533 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.581 7.231 2.797 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.293 7.351 1.045 1.00 0.00 H new ATOM 223 N CYS A 14 -11.834 5.872 2.172 1.00 0.00 N ATOM 224 CA CYS A 14 -10.790 6.530 2.939 1.00 0.00 C ATOM 225 C CYS A 14 -10.701 7.985 2.477 1.00 0.00 C ATOM 226 O CYS A 14 -9.825 8.337 1.687 1.00 0.00 O ATOM 227 CB CYS A 14 -9.449 5.805 2.806 1.00 0.00 C ATOM 228 SG CYS A 14 -9.509 4.209 3.701 1.00 0.00 S ATOM 0 H CYS A 14 -11.667 5.838 1.166 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.040 6.501 4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.222 5.633 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.649 6.427 3.207 1.00 0.00 H new ATOM 233 N PRO A 15 -11.642 8.814 3.002 1.00 0.00 N ATOM 234 CA PRO A 15 -11.677 10.224 2.652 1.00 0.00 C ATOM 235 C PRO A 15 -10.557 10.993 3.357 1.00 0.00 C ATOM 236 O PRO A 15 -9.831 11.758 2.726 1.00 0.00 O ATOM 237 CB PRO A 15 -13.065 10.696 3.055 1.00 0.00 C ATOM 238 CG PRO A 15 -13.589 9.658 4.035 1.00 0.00 C ATOM 239 CD PRO A 15 -12.694 8.433 3.940 1.00 0.00 C ATOM 0 HA PRO A 15 -11.504 10.397 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.024 11.683 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.718 10.777 2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.586 10.055 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -14.620 9.396 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.280 8.169 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.248 7.565 3.583 1.00 0.00 H new ATOM 247 N GLU A 16 -10.451 10.761 4.657 1.00 0.00 N ATOM 248 CA GLU A 16 -9.433 11.420 5.455 1.00 0.00 C ATOM 249 C GLU A 16 -8.124 11.521 4.667 1.00 0.00 C ATOM 250 O GLU A 16 -7.292 10.618 4.722 1.00 0.00 O ATOM 251 CB GLU A 16 -9.218 10.692 6.784 1.00 0.00 C ATOM 252 CG GLU A 16 -10.369 10.970 7.753 1.00 0.00 C ATOM 253 CD GLU A 16 -10.093 12.223 8.587 1.00 0.00 C ATOM 254 OE1 GLU A 16 -8.925 12.577 8.806 1.00 0.00 O ATOM 255 OE2 GLU A 16 -11.145 12.836 9.012 1.00 0.00 O ATOM 0 H GLU A 16 -11.055 10.125 5.178 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.777 12.429 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.138 9.620 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.277 11.012 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.296 11.097 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.509 10.113 8.412 1.00 0.00 H new ATOM 263 N GLY A 17 -7.985 12.629 3.953 1.00 0.00 N ATOM 264 CA GLY A 17 -6.792 12.859 3.155 1.00 0.00 C ATOM 265 C GLY A 17 -6.129 11.536 2.767 1.00 0.00 C ATOM 266 O GLY A 17 -4.921 11.372 2.933 1.00 0.00 O ATOM 0 H GLY A 17 -8.678 13.376 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.054 13.416 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.087 13.472 3.716 1.00 0.00 H new ATOM 270 N LYS A 18 -6.947 10.627 2.257 1.00 0.00 N ATOM 271 CA LYS A 18 -6.454 9.324 1.844 1.00 0.00 C ATOM 272 C LYS A 18 -7.066 8.958 0.491 1.00 0.00 C ATOM 273 O LYS A 18 -7.932 8.088 0.412 1.00 0.00 O ATOM 274 CB LYS A 18 -6.709 8.284 2.936 1.00 0.00 C ATOM 275 CG LYS A 18 -5.644 8.366 4.031 1.00 0.00 C ATOM 276 CD LYS A 18 -6.239 8.031 5.401 1.00 0.00 C ATOM 277 CE LYS A 18 -5.598 6.769 5.982 1.00 0.00 C ATOM 278 NZ LYS A 18 -4.489 7.124 6.897 1.00 0.00 N ATOM 0 H LYS A 18 -7.948 10.767 2.120 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.373 9.351 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.696 8.443 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.710 7.285 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.831 7.676 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.215 9.368 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.086 8.868 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.316 7.887 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.348 6.187 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.224 6.140 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.065 6.256 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.766 7.660 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.855 7.706 7.677 1.00 0.00 H new ATOM 292 N ASN A 19 -6.592 9.640 -0.542 1.00 0.00 N ATOM 293 CA ASN A 19 -7.082 9.397 -1.888 1.00 0.00 C ATOM 294 C ASN A 19 -6.183 8.366 -2.575 1.00 0.00 C ATOM 295 O ASN A 19 -6.443 7.970 -3.709 1.00 0.00 O ATOM 296 CB ASN A 19 -7.055 10.679 -2.723 1.00 0.00 C ATOM 297 CG ASN A 19 -8.166 10.671 -3.775 1.00 0.00 C ATOM 298 OD1 ASN A 19 -9.250 10.150 -3.566 1.00 0.00 O ATOM 299 ND2 ASN A 19 -7.838 11.275 -4.913 1.00 0.00 N ATOM 0 H ASN A 19 -5.874 10.361 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.108 9.036 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.173 11.545 -2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.086 10.778 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.511 11.323 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.913 11.691 -5.022 1.00 0.00 H new ATOM 306 N LEU A 20 -5.145 7.963 -1.858 1.00 0.00 N ATOM 307 CA LEU A 20 -4.207 6.985 -2.384 1.00 0.00 C ATOM 308 C LEU A 20 -4.292 5.704 -1.553 1.00 0.00 C ATOM 309 O LEU A 20 -4.374 5.760 -0.326 1.00 0.00 O ATOM 310 CB LEU A 20 -2.798 7.579 -2.456 1.00 0.00 C ATOM 311 CG LEU A 20 -2.553 8.589 -3.580 1.00 0.00 C ATOM 312 CD1 LEU A 20 -2.049 7.890 -4.843 1.00 0.00 C ATOM 313 CD2 LEU A 20 -3.806 9.426 -3.849 1.00 0.00 C ATOM 0 H LEU A 20 -4.932 8.295 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.469 6.719 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.581 8.064 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.086 6.762 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.771 9.276 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.883 8.629 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.113 7.375 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.791 7.166 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.604 10.135 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.626 8.770 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.081 9.970 -2.945 1.00 0.00 H new ATOM 325 N CYS A 21 -4.269 4.580 -2.253 1.00 0.00 N ATOM 326 CA CYS A 21 -4.342 3.287 -1.594 1.00 0.00 C ATOM 327 C CYS A 21 -3.021 2.552 -1.830 1.00 0.00 C ATOM 328 O CYS A 21 -2.365 2.758 -2.851 1.00 0.00 O ATOM 329 CB CYS A 21 -5.542 2.472 -2.080 1.00 0.00 C ATOM 330 SG CYS A 21 -7.044 3.518 -2.099 1.00 0.00 S ATOM 0 H CYS A 21 -4.201 4.537 -3.270 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.491 3.430 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.347 2.083 -3.079 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.696 1.612 -1.428 1.00 0.00 H new ATOM 335 N TYR A 22 -2.669 1.712 -0.867 1.00 0.00 N ATOM 336 CA TYR A 22 -1.437 0.946 -0.958 1.00 0.00 C ATOM 337 C TYR A 22 -1.650 -0.493 -0.482 1.00 0.00 C ATOM 338 O TYR A 22 -2.575 -0.768 0.281 1.00 0.00 O ATOM 339 CB TYR A 22 -0.442 1.637 -0.023 1.00 0.00 C ATOM 340 CG TYR A 22 -0.686 1.358 1.461 1.00 0.00 C ATOM 341 CD1 TYR A 22 -1.236 2.336 2.265 1.00 0.00 C ATOM 342 CD2 TYR A 22 -0.357 0.130 1.997 1.00 0.00 C ATOM 343 CE1 TYR A 22 -1.467 2.075 3.662 1.00 0.00 C ATOM 344 CE2 TYR A 22 -0.587 -0.131 3.395 1.00 0.00 C ATOM 345 CZ TYR A 22 -1.131 0.854 4.158 1.00 0.00 C ATOM 346 OH TYR A 22 -1.348 0.608 5.478 1.00 0.00 O ATOM 0 H TYR A 22 -3.214 1.545 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.085 0.906 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.567 1.316 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.487 2.713 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.493 3.298 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.073 -0.636 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.897 2.832 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.333 -1.088 3.827 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.062 -0.304 5.692 1.00 0.00 H new ATOM 356 N LYS A 23 -0.779 -1.373 -0.953 1.00 0.00 N ATOM 357 CA LYS A 23 -0.860 -2.777 -0.585 1.00 0.00 C ATOM 358 C LYS A 23 0.552 -3.326 -0.371 1.00 0.00 C ATOM 359 O LYS A 23 1.410 -3.203 -1.244 1.00 0.00 O ATOM 360 CB LYS A 23 -1.672 -3.556 -1.623 1.00 0.00 C ATOM 361 CG LYS A 23 -1.364 -3.067 -3.040 1.00 0.00 C ATOM 362 CD LYS A 23 -2.459 -3.497 -4.018 1.00 0.00 C ATOM 363 CE LYS A 23 -2.687 -2.429 -5.089 1.00 0.00 C ATOM 364 NZ LYS A 23 -3.026 -3.059 -6.384 1.00 0.00 N ATOM 0 H LYS A 23 -0.014 -1.141 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.394 -2.894 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.445 -4.619 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.736 -3.441 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.275 -1.981 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.403 -3.466 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.180 -4.438 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.387 -3.676 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.492 -1.762 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.791 -1.818 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.211 -2.993 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.266 -4.059 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.840 -2.568 -6.806 1.00 0.00 H new ATOM 378 N MET A 24 0.750 -3.920 0.797 1.00 0.00 N ATOM 379 CA MET A 24 2.043 -4.489 1.138 1.00 0.00 C ATOM 380 C MET A 24 2.066 -5.995 0.874 1.00 0.00 C ATOM 381 O MET A 24 1.242 -6.736 1.408 1.00 0.00 O ATOM 382 CB MET A 24 2.343 -4.224 2.614 1.00 0.00 C ATOM 383 CG MET A 24 2.983 -2.847 2.805 1.00 0.00 C ATOM 384 SD MET A 24 2.110 -1.939 4.070 1.00 0.00 S ATOM 385 CE MET A 24 3.171 -2.257 5.469 1.00 0.00 C ATOM 0 H MET A 24 0.037 -4.020 1.519 1.00 0.00 H new ATOM 0 HA MET A 24 2.803 -4.019 0.514 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.421 -4.284 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.011 -4.996 2.997 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.031 -2.959 3.084 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.960 -2.293 1.867 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.562 -2.430 6.356 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.781 -3.138 5.270 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.819 -1.397 5.637 1.00 0.00 H new ATOM 395 N PHE A 25 3.019 -6.405 0.048 1.00 0.00 N ATOM 396 CA PHE A 25 3.161 -7.810 -0.293 1.00 0.00 C ATOM 397 C PHE A 25 4.417 -8.405 0.345 1.00 0.00 C ATOM 398 O PHE A 25 5.444 -7.736 0.446 1.00 0.00 O ATOM 399 CB PHE A 25 3.290 -7.889 -1.815 1.00 0.00 C ATOM 400 CG PHE A 25 2.067 -7.365 -2.572 1.00 0.00 C ATOM 401 CD1 PHE A 25 2.071 -6.105 -3.082 1.00 0.00 C ATOM 402 CD2 PHE A 25 0.976 -8.161 -2.734 1.00 0.00 C ATOM 403 CE1 PHE A 25 0.936 -5.618 -3.783 1.00 0.00 C ATOM 404 CE2 PHE A 25 -0.159 -7.675 -3.435 1.00 0.00 C ATOM 405 CZ PHE A 25 -0.154 -6.414 -3.945 1.00 0.00 C ATOM 0 H PHE A 25 3.700 -5.788 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 25 2.301 -8.371 0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.167 -7.321 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.465 -8.926 -2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.938 -5.474 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.973 -9.162 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.939 -4.616 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.026 -8.306 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.017 -6.045 -4.479 1.00 0.00 H new ATOM 415 N MET A 26 4.295 -9.658 0.759 1.00 0.00 N ATOM 416 CA MET A 26 5.409 -10.352 1.385 1.00 0.00 C ATOM 417 C MET A 26 6.333 -10.967 0.332 1.00 0.00 C ATOM 418 O MET A 26 5.865 -11.564 -0.636 1.00 0.00 O ATOM 419 CB MET A 26 4.873 -11.453 2.302 1.00 0.00 C ATOM 420 CG MET A 26 5.617 -11.462 3.639 1.00 0.00 C ATOM 421 SD MET A 26 5.105 -12.868 4.613 1.00 0.00 S ATOM 422 CE MET A 26 4.636 -12.043 6.125 1.00 0.00 C ATOM 0 H MET A 26 3.442 -10.211 0.673 1.00 0.00 H new ATOM 0 HA MET A 26 5.983 -9.630 1.967 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.808 -11.301 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.981 -12.422 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.692 -11.501 3.466 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.415 -10.539 4.183 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.289 -12.780 6.849 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.497 -11.512 6.532 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.836 -11.332 5.919 1.00 0.00 H new ATOM 432 N MET A 27 7.628 -10.800 0.557 1.00 0.00 N ATOM 433 CA MET A 27 8.621 -11.332 -0.359 1.00 0.00 C ATOM 434 C MET A 27 8.511 -10.668 -1.734 1.00 0.00 C ATOM 435 O MET A 27 9.351 -9.849 -2.101 1.00 0.00 O ATOM 436 CB MET A 27 8.426 -12.843 -0.505 1.00 0.00 C ATOM 437 CG MET A 27 9.251 -13.605 0.533 1.00 0.00 C ATOM 438 SD MET A 27 9.644 -15.236 -0.078 1.00 0.00 S ATOM 439 CE MET A 27 10.519 -15.892 1.333 1.00 0.00 C ATOM 0 H MET A 27 8.012 -10.303 1.361 1.00 0.00 H new ATOM 0 HA MET A 27 9.610 -11.122 0.047 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.371 -13.090 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.718 -13.156 -1.508 1.00 0.00 H new ATOM 0 HG2 MET A 27 10.168 -13.059 0.753 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.694 -13.682 1.467 1.00 0.00 H new ATOM 0 HE1 MET A 27 10.838 -16.912 1.121 1.00 0.00 H new ATOM 0 HE2 MET A 27 11.393 -15.274 1.539 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.861 -15.891 2.202 1.00 0.00 H new ATOM 449 N SER A 28 7.465 -11.046 -2.455 1.00 0.00 N ATOM 450 CA SER A 28 7.234 -10.497 -3.780 1.00 0.00 C ATOM 451 C SER A 28 5.827 -9.900 -3.861 1.00 0.00 C ATOM 452 O SER A 28 4.975 -10.192 -3.023 1.00 0.00 O ATOM 453 CB SER A 28 7.419 -11.566 -4.859 1.00 0.00 C ATOM 454 OG SER A 28 7.768 -10.999 -6.119 1.00 0.00 O ATOM 0 H SER A 28 6.769 -11.725 -2.147 1.00 0.00 H new ATOM 0 HA SER A 28 7.967 -9.710 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.196 -12.264 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.498 -12.140 -4.962 1.00 0.00 H new ATOM 0 HG SER A 28 7.879 -11.714 -6.780 1.00 0.00 H new ATOM 460 N ASP A 29 5.628 -9.073 -4.878 1.00 0.00 N ATOM 461 CA ASP A 29 4.339 -8.432 -5.078 1.00 0.00 C ATOM 462 C ASP A 29 3.462 -9.324 -5.960 1.00 0.00 C ATOM 463 O ASP A 29 2.252 -9.406 -5.757 1.00 0.00 O ATOM 464 CB ASP A 29 4.499 -7.082 -5.780 1.00 0.00 C ATOM 465 CG ASP A 29 5.750 -6.951 -6.652 1.00 0.00 C ATOM 466 OD1 ASP A 29 6.349 -7.956 -7.065 1.00 0.00 O ATOM 467 OD2 ASP A 29 6.110 -5.740 -6.909 1.00 0.00 O ATOM 0 H ASP A 29 6.337 -8.833 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 29 3.883 -8.278 -4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.621 -6.906 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.517 -6.296 -5.025 1.00 0.00 H new ATOM 473 N LEU A 30 4.108 -9.969 -6.921 1.00 0.00 N ATOM 474 CA LEU A 30 3.403 -10.851 -7.834 1.00 0.00 C ATOM 475 C LEU A 30 2.414 -11.712 -7.045 1.00 0.00 C ATOM 476 O LEU A 30 1.303 -11.968 -7.506 1.00 0.00 O ATOM 477 CB LEU A 30 4.395 -11.663 -8.669 1.00 0.00 C ATOM 478 CG LEU A 30 4.949 -10.970 -9.915 1.00 0.00 C ATOM 479 CD1 LEU A 30 6.380 -11.427 -10.207 1.00 0.00 C ATOM 480 CD2 LEU A 30 4.024 -11.180 -11.115 1.00 0.00 C ATOM 0 H LEU A 30 5.112 -9.898 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 30 2.820 -10.270 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.233 -11.943 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.907 -12.587 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 30 4.987 -9.898 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.750 -10.919 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.020 -11.184 -9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.391 -12.504 -10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.441 -10.677 -11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.931 -12.246 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.040 -10.766 -10.893 1.00 0.00 H new ATOM 492 N THR A 31 2.854 -12.132 -5.868 1.00 0.00 N ATOM 493 CA THR A 31 2.022 -12.959 -5.010 1.00 0.00 C ATOM 494 C THR A 31 0.918 -12.117 -4.366 1.00 0.00 C ATOM 495 O THR A 31 0.911 -10.894 -4.496 1.00 0.00 O ATOM 496 CB THR A 31 2.932 -13.649 -3.991 1.00 0.00 C ATOM 497 OG1 THR A 31 3.656 -12.578 -3.391 1.00 0.00 O ATOM 498 CG2 THR A 31 4.013 -14.503 -4.656 1.00 0.00 C ATOM 0 H THR A 31 3.776 -11.915 -5.488 1.00 0.00 H new ATOM 0 HA THR A 31 1.507 -13.731 -5.583 1.00 0.00 H new ATOM 0 HB THR A 31 2.330 -14.274 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.270 -12.936 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.631 -14.970 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.543 -15.276 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.636 -13.872 -5.290 1.00 0.00 H new ATOM 506 N ILE A 32 0.014 -12.805 -3.687 1.00 0.00 N ATOM 507 CA ILE A 32 -1.093 -12.136 -3.024 1.00 0.00 C ATOM 508 C ILE A 32 -0.546 -11.233 -1.917 1.00 0.00 C ATOM 509 O ILE A 32 0.508 -11.510 -1.348 1.00 0.00 O ATOM 510 CB ILE A 32 -2.119 -13.158 -2.531 1.00 0.00 C ATOM 511 CG1 ILE A 32 -3.373 -13.141 -3.408 1.00 0.00 C ATOM 512 CG2 ILE A 32 -2.449 -12.937 -1.053 1.00 0.00 C ATOM 513 CD1 ILE A 32 -3.101 -13.785 -4.768 1.00 0.00 C ATOM 0 H ILE A 32 0.025 -13.819 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.627 -11.496 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.679 -14.152 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.180 -13.673 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.708 -12.113 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.181 -13.677 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.541 -13.039 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.860 -11.937 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.009 -13.759 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.310 -13.236 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.790 -14.820 -4.625 1.00 0.00 H new ATOM 525 N PRO A 33 -1.307 -10.140 -1.639 1.00 0.00 N ATOM 526 CA PRO A 33 -0.911 -9.194 -0.610 1.00 0.00 C ATOM 527 C PRO A 33 -1.158 -9.765 0.787 1.00 0.00 C ATOM 528 O PRO A 33 -2.041 -10.602 0.971 1.00 0.00 O ATOM 529 CB PRO A 33 -1.724 -7.942 -0.892 1.00 0.00 C ATOM 530 CG PRO A 33 -2.879 -8.385 -1.775 1.00 0.00 C ATOM 531 CD PRO A 33 -2.561 -9.779 -2.293 1.00 0.00 C ATOM 0 HA PRO A 33 0.156 -8.973 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.089 -7.496 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.117 -7.187 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.811 -8.391 -1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.014 -7.691 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.354 -10.484 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.458 -9.784 -3.378 1.00 0.00 H new ATOM 539 N VAL A 34 -0.364 -9.291 1.736 1.00 0.00 N ATOM 540 CA VAL A 34 -0.486 -9.745 3.110 1.00 0.00 C ATOM 541 C VAL A 34 -1.262 -8.704 3.919 1.00 0.00 C ATOM 542 O VAL A 34 -2.101 -9.056 4.747 1.00 0.00 O ATOM 543 CB VAL A 34 0.899 -10.041 3.689 1.00 0.00 C ATOM 544 CG1 VAL A 34 1.487 -11.315 3.082 1.00 0.00 C ATOM 545 CG2 VAL A 34 1.842 -8.852 3.487 1.00 0.00 C ATOM 0 H VAL A 34 0.367 -8.597 1.580 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.048 -10.678 3.155 1.00 0.00 H new ATOM 0 HB VAL A 34 0.786 -10.203 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.471 -11.502 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.831 -12.158 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.579 -11.195 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.820 -9.088 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.945 -8.646 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.434 -7.974 3.988 1.00 0.00 H new ATOM 555 N LYS A 35 -0.954 -7.443 3.652 1.00 0.00 N ATOM 556 CA LYS A 35 -1.612 -6.349 4.345 1.00 0.00 C ATOM 557 C LYS A 35 -1.702 -5.141 3.411 1.00 0.00 C ATOM 558 O LYS A 35 -1.056 -5.111 2.365 1.00 0.00 O ATOM 559 CB LYS A 35 -0.906 -6.052 5.670 1.00 0.00 C ATOM 560 CG LYS A 35 0.446 -5.376 5.430 1.00 0.00 C ATOM 561 CD LYS A 35 1.160 -5.095 6.754 1.00 0.00 C ATOM 562 CE LYS A 35 2.401 -5.978 6.905 1.00 0.00 C ATOM 563 NZ LYS A 35 2.079 -7.197 7.679 1.00 0.00 N ATOM 0 H LYS A 35 -0.257 -7.155 2.965 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.633 -6.624 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.535 -5.408 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.760 -6.979 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.070 -6.014 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.299 -4.443 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.448 -4.045 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.478 -5.275 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.780 -6.254 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.192 -5.421 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.932 -7.785 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.739 -6.928 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.339 -7.736 7.185 1.00 0.00 H new ATOM 577 N ARG A 36 -2.509 -4.174 3.822 1.00 0.00 N ATOM 578 CA ARG A 36 -2.692 -2.966 3.036 1.00 0.00 C ATOM 579 C ARG A 36 -3.359 -1.878 3.880 1.00 0.00 C ATOM 580 O ARG A 36 -3.602 -2.073 5.070 1.00 0.00 O ATOM 581 CB ARG A 36 -3.551 -3.240 1.798 1.00 0.00 C ATOM 582 CG ARG A 36 -4.882 -3.886 2.186 1.00 0.00 C ATOM 583 CD ARG A 36 -5.806 -2.873 2.863 1.00 0.00 C ATOM 584 NE ARG A 36 -5.764 -3.053 4.332 1.00 0.00 N ATOM 585 CZ ARG A 36 -6.426 -2.268 5.210 1.00 0.00 C ATOM 586 NH1 ARG A 36 -6.317 -2.520 6.501 1.00 0.00 N ATOM 587 NH2 ARG A 36 -7.188 -1.242 4.773 1.00 0.00 N ATOM 0 H ARG A 36 -3.044 -4.203 4.690 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.707 -2.627 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.737 -2.307 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.011 -3.894 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.367 -4.289 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.701 -4.725 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.500 -1.859 2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.826 -3.001 2.502 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.200 -3.817 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.740 -3.297 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.810 -1.937 7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.267 -1.055 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.685 -0.654 5.443 1.00 0.00 H new ATOM 601 N GLY A 37 -3.638 -0.758 3.230 1.00 0.00 N ATOM 602 CA GLY A 37 -4.272 0.361 3.907 1.00 0.00 C ATOM 603 C GLY A 37 -4.369 1.577 2.983 1.00 0.00 C ATOM 604 O GLY A 37 -3.908 1.533 1.843 1.00 0.00 O ATOM 0 H GLY A 37 -3.437 -0.601 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.269 0.072 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.702 0.622 4.799 1.00 0.00 H new ATOM 608 N CYS A 38 -4.969 2.633 3.510 1.00 0.00 N ATOM 609 CA CYS A 38 -5.132 3.860 2.746 1.00 0.00 C ATOM 610 C CYS A 38 -3.966 4.793 3.082 1.00 0.00 C ATOM 611 O CYS A 38 -3.314 4.630 4.113 1.00 0.00 O ATOM 612 CB CYS A 38 -6.486 4.518 3.017 1.00 0.00 C ATOM 613 SG CYS A 38 -7.800 3.246 3.082 1.00 0.00 S ATOM 0 H CYS A 38 -5.349 2.666 4.456 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.119 3.633 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.451 5.065 3.959 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.710 5.244 2.235 1.00 0.00 H new ATOM 618 N ILE A 39 -3.742 5.750 2.195 1.00 0.00 N ATOM 619 CA ILE A 39 -2.667 6.709 2.384 1.00 0.00 C ATOM 620 C ILE A 39 -2.863 7.883 1.423 1.00 0.00 C ATOM 621 O ILE A 39 -3.802 7.893 0.631 1.00 0.00 O ATOM 622 CB ILE A 39 -1.307 6.023 2.249 1.00 0.00 C ATOM 623 CG1 ILE A 39 -0.208 6.843 2.927 1.00 0.00 C ATOM 624 CG2 ILE A 39 -0.982 5.733 0.782 1.00 0.00 C ATOM 625 CD1 ILE A 39 0.882 5.935 3.499 1.00 0.00 C ATOM 0 H ILE A 39 -4.287 5.882 1.343 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.692 7.116 3.395 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.357 5.064 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.231 7.534 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.640 7.446 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.010 5.245 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.746 5.079 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.958 6.668 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.650 6.544 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.445 5.261 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.329 5.351 2.694 1.00 0.00 H new ATOM 637 N ASP A 40 -1.957 8.846 1.524 1.00 0.00 N ATOM 638 CA ASP A 40 -2.018 10.023 0.674 1.00 0.00 C ATOM 639 C ASP A 40 -0.794 10.046 -0.245 1.00 0.00 C ATOM 640 O ASP A 40 -0.890 10.455 -1.401 1.00 0.00 O ATOM 641 CB ASP A 40 -2.007 11.306 1.507 1.00 0.00 C ATOM 642 CG ASP A 40 -0.791 11.474 2.419 1.00 0.00 C ATOM 643 OD1 ASP A 40 -0.530 10.638 3.298 1.00 0.00 O ATOM 644 OD2 ASP A 40 -0.085 12.531 2.198 1.00 0.00 O ATOM 0 H ASP A 40 -1.177 8.835 2.181 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.942 9.975 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.057 12.160 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.908 11.331 2.120 1.00 0.00 H new ATOM 650 N VAL A 41 0.327 9.600 0.303 1.00 0.00 N ATOM 651 CA VAL A 41 1.567 9.565 -0.453 1.00 0.00 C ATOM 652 C VAL A 41 2.163 8.157 -0.381 1.00 0.00 C ATOM 653 O VAL A 41 2.099 7.505 0.659 1.00 0.00 O ATOM 654 CB VAL A 41 2.522 10.646 0.058 1.00 0.00 C ATOM 655 CG1 VAL A 41 3.035 10.306 1.459 1.00 0.00 C ATOM 656 CG2 VAL A 41 3.684 10.855 -0.916 1.00 0.00 C ATOM 0 H VAL A 41 0.402 9.260 1.262 1.00 0.00 H new ATOM 0 HA VAL A 41 1.381 9.786 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 41 1.966 11.582 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.712 11.090 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.193 10.231 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.567 9.355 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.348 11.628 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.238 9.923 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.295 11.163 -1.886 1.00 0.00 H new ATOM 666 N CYS A 42 2.727 7.731 -1.501 1.00 0.00 N ATOM 667 CA CYS A 42 3.334 6.413 -1.578 1.00 0.00 C ATOM 668 C CYS A 42 4.536 6.381 -0.632 1.00 0.00 C ATOM 669 O CYS A 42 5.486 7.144 -0.803 1.00 0.00 O ATOM 670 CB CYS A 42 3.727 6.054 -3.013 1.00 0.00 C ATOM 671 SG CYS A 42 3.945 4.244 -3.168 1.00 0.00 S ATOM 0 H CYS A 42 2.777 8.275 -2.363 1.00 0.00 H new ATOM 0 HA CYS A 42 2.610 5.658 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.958 6.397 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.651 6.564 -3.284 1.00 0.00 H new ATOM 676 N PRO A 43 4.454 5.468 0.372 1.00 0.00 N ATOM 677 CA PRO A 43 5.523 5.327 1.346 1.00 0.00 C ATOM 678 C PRO A 43 6.726 4.602 0.738 1.00 0.00 C ATOM 679 O PRO A 43 6.640 4.067 -0.367 1.00 0.00 O ATOM 680 CB PRO A 43 4.900 4.572 2.508 1.00 0.00 C ATOM 681 CG PRO A 43 3.647 3.913 1.954 1.00 0.00 C ATOM 682 CD PRO A 43 3.345 4.548 0.606 1.00 0.00 C ATOM 0 HA PRO A 43 5.918 6.287 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.590 3.827 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.656 5.248 3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.797 2.839 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.809 4.051 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.282 3.796 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.391 5.074 0.621 1.00 0.00 H new ATOM 690 N LYS A 44 7.819 4.607 1.485 1.00 0.00 N ATOM 691 CA LYS A 44 9.038 3.956 1.034 1.00 0.00 C ATOM 692 C LYS A 44 8.881 2.440 1.168 1.00 0.00 C ATOM 693 O LYS A 44 8.451 1.946 2.210 1.00 0.00 O ATOM 694 CB LYS A 44 10.251 4.517 1.778 1.00 0.00 C ATOM 695 CG LYS A 44 10.468 5.993 1.438 1.00 0.00 C ATOM 696 CD LYS A 44 9.992 6.893 2.579 1.00 0.00 C ATOM 697 CE LYS A 44 10.882 6.732 3.814 1.00 0.00 C ATOM 698 NZ LYS A 44 11.094 8.040 4.475 1.00 0.00 N ATOM 0 H LYS A 44 7.887 5.052 2.400 1.00 0.00 H new ATOM 0 HA LYS A 44 9.215 4.166 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.107 4.405 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.140 3.945 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.525 6.174 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.929 6.243 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.000 7.933 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.961 6.647 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.421 6.035 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.842 6.304 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.700 7.913 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.554 8.694 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.177 8.433 4.769 1.00 0.00 H new ATOM 712 N ASN A 45 9.238 1.743 0.099 1.00 0.00 N ATOM 713 CA ASN A 45 9.142 0.293 0.085 1.00 0.00 C ATOM 714 C ASN A 45 10.284 -0.297 0.915 1.00 0.00 C ATOM 715 O ASN A 45 11.226 0.409 1.273 1.00 0.00 O ATOM 716 CB ASN A 45 9.263 -0.252 -1.340 1.00 0.00 C ATOM 717 CG ASN A 45 8.995 -1.757 -1.375 1.00 0.00 C ATOM 718 OD1 ASN A 45 8.334 -2.317 -0.515 1.00 0.00 O ATOM 719 ND2 ASN A 45 9.542 -2.380 -2.414 1.00 0.00 N ATOM 0 H ASN A 45 9.594 2.155 -0.763 1.00 0.00 H new ATOM 0 HA ASN A 45 8.172 0.014 0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.556 0.262 -1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.261 -0.047 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.420 -3.386 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.084 -1.852 -3.098 1.00 0.00 H new ATOM 726 N SER A 46 10.162 -1.586 1.199 1.00 0.00 N ATOM 727 CA SER A 46 11.172 -2.279 1.981 1.00 0.00 C ATOM 728 C SER A 46 11.784 -3.412 1.156 1.00 0.00 C ATOM 729 O SER A 46 11.358 -3.668 0.032 1.00 0.00 O ATOM 730 CB SER A 46 10.580 -2.827 3.281 1.00 0.00 C ATOM 731 OG SER A 46 9.240 -3.280 3.109 1.00 0.00 O ATOM 0 H SER A 46 9.379 -2.168 0.901 1.00 0.00 H new ATOM 0 HA SER A 46 11.954 -1.566 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.197 -3.650 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 10.605 -2.051 4.046 1.00 0.00 H new ATOM 0 HG SER A 46 9.138 -3.667 2.214 1.00 0.00 H new ATOM 737 N LEU A 47 12.775 -4.063 1.748 1.00 0.00 N ATOM 738 CA LEU A 47 13.451 -5.164 1.083 1.00 0.00 C ATOM 739 C LEU A 47 12.830 -6.486 1.537 1.00 0.00 C ATOM 740 O LEU A 47 13.256 -7.557 1.104 1.00 0.00 O ATOM 741 CB LEU A 47 14.962 -5.082 1.312 1.00 0.00 C ATOM 742 CG LEU A 47 15.507 -3.709 1.707 1.00 0.00 C ATOM 743 CD1 LEU A 47 14.852 -2.600 0.881 1.00 0.00 C ATOM 744 CD2 LEU A 47 15.356 -3.469 3.210 1.00 0.00 C ATOM 0 H LEU A 47 13.126 -3.849 2.681 1.00 0.00 H new ATOM 0 HA LEU A 47 13.312 -5.101 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.230 -5.795 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.466 -5.402 0.400 1.00 0.00 H new ATOM 0 HG LEU A 47 16.574 -3.689 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.258 -1.634 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.056 -2.765 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.775 -2.609 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.752 -2.485 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.302 -3.517 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.907 -4.233 3.758 1.00 0.00 H new ATOM 756 N LEU A 48 11.834 -6.369 2.402 1.00 0.00 N ATOM 757 CA LEU A 48 11.151 -7.543 2.920 1.00 0.00 C ATOM 758 C LEU A 48 9.736 -7.602 2.338 1.00 0.00 C ATOM 759 O LEU A 48 9.305 -8.645 1.850 1.00 0.00 O ATOM 760 CB LEU A 48 11.187 -7.554 4.449 1.00 0.00 C ATOM 761 CG LEU A 48 12.334 -8.343 5.087 1.00 0.00 C ATOM 762 CD1 LEU A 48 12.170 -9.844 4.838 1.00 0.00 C ATOM 763 CD2 LEU A 48 13.690 -7.826 4.604 1.00 0.00 C ATOM 0 H LEU A 48 11.483 -5.480 2.758 1.00 0.00 H new ATOM 0 HA LEU A 48 11.665 -8.452 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.243 -6.523 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.244 -7.964 4.812 1.00 0.00 H new ATOM 0 HG LEU A 48 12.297 -8.189 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.997 -10.382 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.229 -10.184 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.167 -10.037 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.487 -8.403 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.754 -7.930 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.796 -6.775 4.874 1.00 0.00 H new ATOM 775 N VAL A 49 9.055 -6.468 2.410 1.00 0.00 N ATOM 776 CA VAL A 49 7.698 -6.378 1.897 1.00 0.00 C ATOM 777 C VAL A 49 7.660 -5.373 0.743 1.00 0.00 C ATOM 778 O VAL A 49 8.262 -4.304 0.826 1.00 0.00 O ATOM 779 CB VAL A 49 6.733 -6.024 3.030 1.00 0.00 C ATOM 780 CG1 VAL A 49 5.300 -6.430 2.677 1.00 0.00 C ATOM 781 CG2 VAL A 49 7.175 -6.663 4.347 1.00 0.00 C ATOM 0 H VAL A 49 9.417 -5.605 2.815 1.00 0.00 H new ATOM 0 HA VAL A 49 7.374 -7.341 1.501 1.00 0.00 H new ATOM 0 HB VAL A 49 6.752 -4.942 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.634 -6.167 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.986 -5.907 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.258 -7.506 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.472 -6.395 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.199 -7.747 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.170 -6.303 4.610 1.00 0.00 H new ATOM 791 N LYS A 50 6.946 -5.753 -0.307 1.00 0.00 N ATOM 792 CA LYS A 50 6.822 -4.900 -1.475 1.00 0.00 C ATOM 793 C LYS A 50 5.662 -3.922 -1.267 1.00 0.00 C ATOM 794 O LYS A 50 4.600 -4.309 -0.781 1.00 0.00 O ATOM 795 CB LYS A 50 6.693 -5.743 -2.744 1.00 0.00 C ATOM 796 CG LYS A 50 7.057 -4.926 -3.986 1.00 0.00 C ATOM 797 CD LYS A 50 8.499 -5.201 -4.420 1.00 0.00 C ATOM 798 CE LYS A 50 8.880 -4.342 -5.627 1.00 0.00 C ATOM 799 NZ LYS A 50 10.176 -4.785 -6.189 1.00 0.00 N ATOM 0 H LYS A 50 6.448 -6.641 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 50 7.724 -4.303 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.345 -6.614 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.672 -6.115 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.375 -5.172 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.933 -3.864 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.178 -4.994 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.613 -6.256 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.104 -4.410 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.944 -3.295 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.420 -4.192 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.917 -4.697 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.103 -5.778 -6.490 1.00 0.00 H new ATOM 813 N TYR A 51 5.905 -2.676 -1.646 1.00 0.00 N ATOM 814 CA TYR A 51 4.895 -1.641 -1.506 1.00 0.00 C ATOM 815 C TYR A 51 4.336 -1.233 -2.870 1.00 0.00 C ATOM 816 O TYR A 51 5.093 -0.930 -3.790 1.00 0.00 O ATOM 817 CB TYR A 51 5.606 -0.439 -0.880 1.00 0.00 C ATOM 818 CG TYR A 51 5.695 -0.495 0.647 1.00 0.00 C ATOM 819 CD1 TYR A 51 5.912 -1.701 1.282 1.00 0.00 C ATOM 820 CD2 TYR A 51 5.558 0.662 1.388 1.00 0.00 C ATOM 821 CE1 TYR A 51 5.995 -1.753 2.719 1.00 0.00 C ATOM 822 CE2 TYR A 51 5.642 0.610 2.825 1.00 0.00 C ATOM 823 CZ TYR A 51 5.856 -0.595 3.419 1.00 0.00 C ATOM 824 OH TYR A 51 5.935 -0.644 4.776 1.00 0.00 O ATOM 0 H TYR A 51 6.787 -2.360 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 51 4.063 -1.997 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.614 -0.372 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.082 0.472 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.020 -2.605 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.388 1.605 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.164 -2.690 3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.537 1.507 3.417 1.00 0.00 H new ATOM 0 HH TYR A 51 5.819 0.257 5.143 1.00 0.00 H new ATOM 834 N VAL A 52 3.014 -1.241 -2.959 1.00 0.00 N ATOM 835 CA VAL A 52 2.343 -0.876 -4.194 1.00 0.00 C ATOM 836 C VAL A 52 1.221 0.116 -3.887 1.00 0.00 C ATOM 837 O VAL A 52 0.276 -0.212 -3.171 1.00 0.00 O ATOM 838 CB VAL A 52 1.851 -2.133 -4.913 1.00 0.00 C ATOM 839 CG1 VAL A 52 1.596 -1.852 -6.396 1.00 0.00 C ATOM 840 CG2 VAL A 52 2.838 -3.288 -4.736 1.00 0.00 C ATOM 0 H VAL A 52 2.389 -1.495 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 52 3.037 -0.380 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 52 0.905 -2.429 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.247 -2.762 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.839 -1.074 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.521 -1.519 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.464 -4.169 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.806 -3.006 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.948 -3.513 -3.675 1.00 0.00 H new ATOM 850 N CYS A 53 1.360 1.311 -4.445 1.00 0.00 N ATOM 851 CA CYS A 53 0.369 2.353 -4.239 1.00 0.00 C ATOM 852 C CYS A 53 -0.491 2.453 -5.500 1.00 0.00 C ATOM 853 O CYS A 53 -0.140 1.901 -6.541 1.00 0.00 O ATOM 854 CB CYS A 53 1.019 3.692 -3.883 1.00 0.00 C ATOM 855 SG CYS A 53 2.219 3.461 -2.521 1.00 0.00 S ATOM 0 H CYS A 53 2.144 1.580 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.262 2.095 -3.389 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.523 4.105 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.254 4.410 -3.587 1.00 0.00 H new ATOM 860 N CYS A 54 -1.603 3.163 -5.366 1.00 0.00 N ATOM 861 CA CYS A 54 -2.515 3.343 -6.481 1.00 0.00 C ATOM 862 C CYS A 54 -3.396 4.560 -6.191 1.00 0.00 C ATOM 863 O CYS A 54 -3.353 5.113 -5.093 1.00 0.00 O ATOM 864 CB CYS A 54 -3.348 2.086 -6.740 1.00 0.00 C ATOM 865 SG CYS A 54 -3.809 1.302 -5.151 1.00 0.00 S ATOM 0 H CYS A 54 -1.892 3.620 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.945 3.517 -7.394 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.246 2.344 -7.302 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.781 1.383 -7.351 1.00 0.00 H new ATOM 870 N ASN A 55 -4.172 4.942 -7.194 1.00 0.00 N ATOM 871 CA ASN A 55 -5.061 6.084 -7.060 1.00 0.00 C ATOM 872 C ASN A 55 -6.387 5.777 -7.760 1.00 0.00 C ATOM 873 O ASN A 55 -7.079 6.689 -8.209 1.00 0.00 O ATOM 874 CB ASN A 55 -4.458 7.330 -7.710 1.00 0.00 C ATOM 875 CG ASN A 55 -4.410 7.184 -9.233 1.00 0.00 C ATOM 876 OD1 ASN A 55 -3.927 6.203 -9.774 1.00 0.00 O ATOM 877 ND2 ASN A 55 -4.936 8.213 -9.892 1.00 0.00 N ATOM 0 H ASN A 55 -4.204 4.481 -8.103 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.213 6.271 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.049 8.206 -7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.452 7.495 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.951 8.211 -10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.324 9.004 -9.377 1.00 0.00 H new ATOM 884 N THR A 56 -6.698 4.492 -7.832 1.00 0.00 N ATOM 885 CA THR A 56 -7.929 4.055 -8.470 1.00 0.00 C ATOM 886 C THR A 56 -8.745 3.183 -7.513 1.00 0.00 C ATOM 887 O THR A 56 -8.186 2.377 -6.771 1.00 0.00 O ATOM 888 CB THR A 56 -7.558 3.344 -9.772 1.00 0.00 C ATOM 889 OG1 THR A 56 -6.466 2.502 -9.410 1.00 0.00 O ATOM 890 CG2 THR A 56 -6.965 4.297 -10.812 1.00 0.00 C ATOM 0 H THR A 56 -6.120 3.739 -7.459 1.00 0.00 H new ATOM 0 HA THR A 56 -8.570 4.902 -8.715 1.00 0.00 H new ATOM 0 HB THR A 56 -8.443 2.861 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.164 2.002 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.719 3.741 -11.717 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.692 5.074 -11.050 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.061 4.756 -10.411 1.00 0.00 H new ATOM 898 N ASP A 57 -10.055 3.375 -7.562 1.00 0.00 N ATOM 899 CA ASP A 57 -10.954 2.617 -6.708 1.00 0.00 C ATOM 900 C ASP A 57 -10.829 1.129 -7.037 1.00 0.00 C ATOM 901 O ASP A 57 -10.874 0.741 -8.204 1.00 0.00 O ATOM 902 CB ASP A 57 -12.409 3.030 -6.937 1.00 0.00 C ATOM 903 CG ASP A 57 -12.675 4.535 -6.851 1.00 0.00 C ATOM 904 OD1 ASP A 57 -12.625 5.251 -7.863 1.00 0.00 O ATOM 905 OD2 ASP A 57 -12.949 4.974 -5.670 1.00 0.00 O ATOM 0 H ASP A 57 -10.515 4.044 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.681 2.815 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.721 2.677 -7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.035 2.523 -6.203 1.00 0.00 H new ATOM 911 N ARG A 58 -10.674 0.334 -5.988 1.00 0.00 N ATOM 912 CA ARG A 58 -10.541 -1.104 -6.151 1.00 0.00 C ATOM 913 C ARG A 58 -9.194 -1.443 -6.792 1.00 0.00 C ATOM 914 O ARG A 58 -9.066 -2.457 -7.477 1.00 0.00 O ATOM 915 CB ARG A 58 -11.668 -1.665 -7.020 1.00 0.00 C ATOM 916 CG ARG A 58 -12.993 -0.960 -6.724 1.00 0.00 C ATOM 917 CD ARG A 58 -14.173 -1.748 -7.297 1.00 0.00 C ATOM 918 NE ARG A 58 -14.430 -1.331 -8.694 1.00 0.00 N ATOM 919 CZ ARG A 58 -15.605 -1.510 -9.333 1.00 0.00 C ATOM 920 NH1 ARG A 58 -15.724 -1.100 -10.582 1.00 0.00 N ATOM 921 NH2 ARG A 58 -16.644 -2.101 -8.704 1.00 0.00 N ATOM 0 H ARG A 58 -10.638 0.659 -5.022 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.600 -1.558 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.415 -1.543 -8.073 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.773 -2.735 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.116 -0.846 -5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.979 0.043 -7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.959 -2.816 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.062 -1.580 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.671 -0.880 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.934 -0.655 -11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.605 -1.228 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.544 -2.416 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.529 -2.233 -9.194 1.00 0.00 H new ATOM 935 N CYS A 59 -8.223 -0.576 -6.547 1.00 0.00 N ATOM 936 CA CYS A 59 -6.890 -0.771 -7.091 1.00 0.00 C ATOM 937 C CYS A 59 -6.200 -1.876 -6.290 1.00 0.00 C ATOM 938 O CYS A 59 -5.572 -2.765 -6.864 1.00 0.00 O ATOM 939 CB CYS A 59 -6.080 0.528 -7.086 1.00 0.00 C ATOM 940 SG CYS A 59 -5.814 1.091 -5.365 1.00 0.00 S ATOM 0 H CYS A 59 -8.333 0.264 -5.979 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.963 -1.073 -8.136 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.120 0.370 -7.578 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.606 1.297 -7.652 1.00 0.00 H new ATOM 945 N ASN A 60 -6.342 -1.787 -4.976 1.00 0.00 N ATOM 946 CA ASN A 60 -5.741 -2.768 -4.089 1.00 0.00 C ATOM 947 C ASN A 60 -6.786 -3.821 -3.717 1.00 0.00 C ATOM 948 O ASN A 60 -6.561 -4.637 -2.824 1.00 0.00 O ATOM 949 CB ASN A 60 -5.248 -2.114 -2.796 1.00 0.00 C ATOM 950 CG ASN A 60 -6.414 -1.529 -1.999 1.00 0.00 C ATOM 951 OD1 ASN A 60 -7.485 -1.263 -2.520 1.00 0.00 O ATOM 952 ND2 ASN A 60 -6.148 -1.343 -0.709 1.00 0.00 N ATOM 0 H ASN A 60 -6.865 -1.050 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.896 -3.219 -4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.722 -2.851 -2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.533 -1.326 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.862 -0.956 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.230 -1.587 -0.337 1.00 0.00 H new TER 959 ASN A 60 HETATM 960 O HOH A 101 2.734 -12.256 0.102 1.00 0.00 O