USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 489 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 Single : A 1 LEU N :NH3+ 141:sc= 0.0096 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.822 K(o=-0.82,f=-5.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.88! C(o=-1.9!,f=-4.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -116:sc= -0.204 (180deg=-3.2) USER MOD Single : A 26 MET CE :methyl -142:sc= 0 (180deg=-0.0274) USER MOD Single : A 27 MET CE :methyl 177:sc= 0 (180deg=-0.00608) USER MOD Single : A 28 SER OG : rot 180:sc= -0.113 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 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= 0.303 K(o=0.3,f=-4.2!) USER MOD Single : A 46 SER OG : rot -12:sc= 0.483 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.66! K(o=-2.7!,f=-1.1) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 60 ASN : amide:sc= -6.48 K(o=-6.5,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.436 11.900 -1.151 1.00 0.00 N ATOM 2 CA LEU A 1 6.395 10.842 -0.157 1.00 0.00 C ATOM 3 C LEU A 1 6.879 9.534 -0.789 1.00 0.00 C ATOM 4 O LEU A 1 6.436 9.165 -1.876 1.00 0.00 O ATOM 5 CB LEU A 1 5.001 10.745 0.466 1.00 0.00 C ATOM 6 CG LEU A 1 4.695 9.452 1.225 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.674 9.695 2.736 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.392 8.820 0.729 1.00 0.00 C ATOM 0 H1 LEU A 1 5.604 12.514 -1.039 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.301 12.463 -1.024 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.432 11.482 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 1 7.072 11.068 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.871 11.584 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.262 10.862 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 1 5.496 8.740 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.454 8.760 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.646 10.067 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.906 10.431 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.198 7.903 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.568 9.518 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.481 8.589 -0.333 1.00 0.00 H new ATOM 20 N LYS A 2 7.781 8.871 -0.082 1.00 0.00 N ATOM 21 CA LYS A 2 8.329 7.613 -0.560 1.00 0.00 C ATOM 22 C LYS A 2 7.931 6.489 0.399 1.00 0.00 C ATOM 23 O LYS A 2 7.876 6.694 1.611 1.00 0.00 O ATOM 24 CB LYS A 2 9.840 7.733 -0.773 1.00 0.00 C ATOM 25 CG LYS A 2 10.167 8.855 -1.761 1.00 0.00 C ATOM 26 CD LYS A 2 10.490 10.157 -1.025 1.00 0.00 C ATOM 27 CE LYS A 2 11.979 10.494 -1.136 1.00 0.00 C ATOM 28 NZ LYS A 2 12.342 11.558 -0.173 1.00 0.00 N ATOM 0 H LYS A 2 8.147 9.181 0.818 1.00 0.00 H new ATOM 0 HA LYS A 2 7.911 7.363 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.331 7.929 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.234 6.788 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.015 8.563 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.322 9.012 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.897 10.971 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.212 10.064 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.575 9.602 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.210 10.819 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.355 11.775 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.786 12.413 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.140 11.234 0.794 1.00 0.00 H new ATOM 42 N CYS A 3 7.663 5.328 -0.179 1.00 0.00 N ATOM 43 CA CYS A 3 7.272 4.172 0.609 1.00 0.00 C ATOM 44 C CYS A 3 8.023 2.950 0.076 1.00 0.00 C ATOM 45 O CYS A 3 8.599 2.997 -1.009 1.00 0.00 O ATOM 46 CB CYS A 3 5.756 3.963 0.592 1.00 0.00 C ATOM 47 SG CYS A 3 4.831 4.955 1.820 1.00 0.00 S ATOM 0 H CYS A 3 7.709 5.163 -1.184 1.00 0.00 H new ATOM 0 HA CYS A 3 7.539 4.333 1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.382 4.202 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.547 2.908 0.767 1.00 0.00 H new ATOM 52 N ASN A 4 7.991 1.886 0.864 1.00 0.00 N ATOM 53 CA ASN A 4 8.661 0.654 0.485 1.00 0.00 C ATOM 54 C ASN A 4 7.826 -0.072 -0.572 1.00 0.00 C ATOM 55 O ASN A 4 6.612 0.112 -0.642 1.00 0.00 O ATOM 56 CB ASN A 4 8.817 -0.281 1.687 1.00 0.00 C ATOM 57 CG ASN A 4 9.068 0.514 2.971 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.154 0.911 3.674 1.00 0.00 O ATOM 59 ND2 ASN A 4 10.355 0.722 3.234 1.00 0.00 N ATOM 0 H ASN A 4 7.511 1.851 1.764 1.00 0.00 H new ATOM 0 HA ASN A 4 9.647 0.912 0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.918 -0.887 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.645 -0.968 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.628 1.242 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.070 0.361 2.602 1.00 0.00 H new ATOM 66 N LYS A 5 8.511 -0.879 -1.368 1.00 0.00 N ATOM 67 CA LYS A 5 7.848 -1.633 -2.419 1.00 0.00 C ATOM 68 C LYS A 5 7.531 -3.040 -1.909 1.00 0.00 C ATOM 69 O LYS A 5 7.653 -3.315 -0.715 1.00 0.00 O ATOM 70 CB LYS A 5 8.684 -1.617 -3.700 1.00 0.00 C ATOM 71 CG LYS A 5 8.722 -0.215 -4.312 1.00 0.00 C ATOM 72 CD LYS A 5 7.789 -0.121 -5.522 1.00 0.00 C ATOM 73 CE LYS A 5 6.401 0.370 -5.106 1.00 0.00 C ATOM 74 NZ LYS A 5 6.245 1.809 -5.416 1.00 0.00 N ATOM 0 H LYS A 5 9.518 -1.028 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 5 6.898 -1.167 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.699 -1.950 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.266 -2.321 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.428 0.521 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.741 0.027 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.213 0.559 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.706 -1.098 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.635 -0.205 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.255 0.204 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.297 2.126 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.965 2.355 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.363 1.959 -6.438 1.00 0.00 H new ATOM 88 N LEU A 6 7.131 -3.896 -2.838 1.00 0.00 N ATOM 89 CA LEU A 6 6.797 -5.269 -2.498 1.00 0.00 C ATOM 90 C LEU A 6 7.846 -5.820 -1.530 1.00 0.00 C ATOM 91 O LEU A 6 7.502 -6.422 -0.513 1.00 0.00 O ATOM 92 CB LEU A 6 6.628 -6.109 -3.765 1.00 0.00 C ATOM 93 CG LEU A 6 5.554 -7.197 -3.711 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.367 -6.842 -4.608 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.143 -8.567 -4.054 1.00 0.00 C ATOM 0 H LEU A 6 7.031 -3.665 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 6 5.836 -5.311 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.397 -5.439 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.584 -6.581 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 6 5.178 -7.255 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.619 -7.632 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.928 -5.902 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.708 -6.739 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.358 -9.322 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.563 -8.541 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.927 -8.815 -3.339 1.00 0.00 H new ATOM 107 N VAL A 7 9.104 -5.595 -1.879 1.00 0.00 N ATOM 108 CA VAL A 7 10.205 -6.061 -1.054 1.00 0.00 C ATOM 109 C VAL A 7 10.690 -4.914 -0.164 1.00 0.00 C ATOM 110 O VAL A 7 11.290 -3.957 -0.651 1.00 0.00 O ATOM 111 CB VAL A 7 11.311 -6.641 -1.937 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.669 -6.562 -1.237 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.988 -8.080 -2.346 1.00 0.00 C ATOM 0 H VAL A 7 9.385 -5.096 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 7 9.876 -6.866 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 7 11.366 -6.039 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.438 -6.981 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.906 -5.521 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.632 -7.128 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.790 -8.469 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.892 -8.699 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.051 -8.098 -2.903 1.00 0.00 H new ATOM 123 N PRO A 8 10.412 -5.050 1.125 1.00 0.00 N ATOM 124 CA PRO A 8 10.825 -4.008 2.117 1.00 0.00 C ATOM 125 C PRO A 8 12.341 -3.656 2.303 1.00 0.00 C ATOM 126 O PRO A 8 12.707 -2.946 3.239 1.00 0.00 O ATOM 127 CB PRO A 8 10.170 -4.515 3.421 1.00 0.00 C ATOM 128 CG PRO A 8 9.099 -5.517 2.989 1.00 0.00 C ATOM 129 CD PRO A 8 9.686 -6.185 1.747 1.00 0.00 C ATOM 0 HA PRO A 8 10.499 -3.034 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.907 -4.987 4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.730 -3.691 3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.896 -6.245 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.156 -5.019 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.352 -7.010 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.913 -6.588 1.092 1.00 0.00 H new ATOM 137 N ILE A 9 13.153 -4.175 1.394 1.00 0.00 N ATOM 138 CA ILE A 9 14.585 -3.932 1.441 1.00 0.00 C ATOM 139 C ILE A 9 14.927 -2.747 0.537 1.00 0.00 C ATOM 140 O ILE A 9 16.077 -2.310 0.489 1.00 0.00 O ATOM 141 CB ILE A 9 15.356 -5.208 1.101 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.436 -5.414 -0.412 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.752 -6.421 1.814 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.880 -5.304 -0.906 1.00 0.00 C ATOM 0 H ILE A 9 12.846 -4.764 0.620 1.00 0.00 H new ATOM 0 HA ILE A 9 14.893 -3.661 2.451 1.00 0.00 H new ATOM 0 HB ILE A 9 16.377 -5.096 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.033 -6.393 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.818 -4.671 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.319 -7.315 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 9 14.791 -6.266 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.715 -6.547 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.908 -5.455 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.272 -4.315 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 9 17.490 -6.064 -0.418 1.00 0.00 H new ATOM 156 N ALA A 10 13.910 -2.260 -0.158 1.00 0.00 N ATOM 157 CA ALA A 10 14.089 -1.134 -1.059 1.00 0.00 C ATOM 158 C ALA A 10 12.760 -0.389 -1.208 1.00 0.00 C ATOM 159 O ALA A 10 11.703 -1.012 -1.304 1.00 0.00 O ATOM 160 CB ALA A 10 14.632 -1.634 -2.399 1.00 0.00 C ATOM 0 H ALA A 10 12.958 -2.625 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 10 14.817 -0.430 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.766 -0.790 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.590 -2.129 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.927 -2.340 -2.837 1.00 0.00 H new ATOM 166 N TYR A 11 12.857 0.932 -1.224 1.00 0.00 N ATOM 167 CA TYR A 11 11.677 1.768 -1.360 1.00 0.00 C ATOM 168 C TYR A 11 11.876 2.825 -2.448 1.00 0.00 C ATOM 169 O TYR A 11 13.008 3.168 -2.786 1.00 0.00 O ATOM 170 CB TYR A 11 11.499 2.468 -0.012 1.00 0.00 C ATOM 171 CG TYR A 11 12.636 3.425 0.348 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.682 4.685 -0.215 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.617 3.029 1.233 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.753 5.586 0.124 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.688 3.930 1.572 1.00 0.00 C ATOM 176 CZ TYR A 11 14.703 5.165 1.001 1.00 0.00 C ATOM 177 OH TYR A 11 15.714 6.015 1.320 1.00 0.00 O ATOM 0 H TYR A 11 13.735 1.444 -1.145 1.00 0.00 H new ATOM 0 HA TYR A 11 10.811 1.167 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.561 3.023 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.413 1.713 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.915 4.995 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.582 2.043 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.801 6.574 -0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.462 3.632 2.264 1.00 0.00 H new ATOM 0 HH TYR A 11 16.318 5.580 1.958 1.00 0.00 H new ATOM 187 N LYS A 12 10.758 3.311 -2.967 1.00 0.00 N ATOM 188 CA LYS A 12 10.795 4.322 -4.010 1.00 0.00 C ATOM 189 C LYS A 12 9.764 5.408 -3.700 1.00 0.00 C ATOM 190 O LYS A 12 9.246 5.476 -2.586 1.00 0.00 O ATOM 191 CB LYS A 12 10.616 3.679 -5.386 1.00 0.00 C ATOM 192 CG LYS A 12 11.833 2.829 -5.758 1.00 0.00 C ATOM 193 CD LYS A 12 11.508 1.337 -5.669 1.00 0.00 C ATOM 194 CE LYS A 12 12.566 0.502 -6.393 1.00 0.00 C ATOM 195 NZ LYS A 12 12.043 0.014 -7.689 1.00 0.00 N ATOM 0 H LYS A 12 9.821 3.023 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 12 11.771 4.807 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.720 3.058 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.467 4.455 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.157 3.074 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.663 3.064 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.454 1.035 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.528 1.148 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.461 1.102 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.859 -0.344 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.773 -0.551 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.202 -0.575 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.786 0.825 -8.287 1.00 0.00 H new ATOM 209 N THR A 13 9.496 6.230 -4.703 1.00 0.00 N ATOM 210 CA THR A 13 8.534 7.309 -4.551 1.00 0.00 C ATOM 211 C THR A 13 7.187 6.912 -5.157 1.00 0.00 C ATOM 212 O THR A 13 7.139 6.221 -6.173 1.00 0.00 O ATOM 213 CB THR A 13 9.135 8.569 -5.176 1.00 0.00 C ATOM 214 OG1 THR A 13 8.056 9.140 -5.911 1.00 0.00 O ATOM 215 CG2 THR A 13 10.185 8.250 -6.243 1.00 0.00 C ATOM 0 H THR A 13 9.928 6.171 -5.625 1.00 0.00 H new ATOM 0 HA THR A 13 8.333 7.515 -3.500 1.00 0.00 H new ATOM 0 HB THR A 13 9.586 9.182 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.358 9.964 -6.348 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.580 9.179 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.997 7.678 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.727 7.666 -7.041 1.00 0.00 H new ATOM 223 N CYS A 14 6.126 7.367 -4.508 1.00 0.00 N ATOM 224 CA CYS A 14 4.780 7.069 -4.970 1.00 0.00 C ATOM 225 C CYS A 14 4.585 7.727 -6.338 1.00 0.00 C ATOM 226 O CYS A 14 4.474 8.949 -6.432 1.00 0.00 O ATOM 227 CB CYS A 14 3.722 7.522 -3.963 1.00 0.00 C ATOM 228 SG CYS A 14 3.839 6.728 -2.317 1.00 0.00 S ATOM 0 H CYS A 14 6.170 7.940 -3.665 1.00 0.00 H new ATOM 0 HA CYS A 14 4.657 5.990 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.800 8.602 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.735 7.320 -4.379 1.00 0.00 H new ATOM 233 N PRO A 15 4.550 6.889 -7.363 1.00 0.00 N ATOM 234 CA PRO A 15 4.365 7.389 -8.763 1.00 0.00 C ATOM 235 C PRO A 15 3.216 8.404 -9.090 1.00 0.00 C ATOM 236 O PRO A 15 2.354 8.662 -8.252 1.00 0.00 O ATOM 237 CB PRO A 15 4.243 6.076 -9.569 1.00 0.00 C ATOM 238 CG PRO A 15 3.908 4.987 -8.548 1.00 0.00 C ATOM 239 CD PRO A 15 4.660 5.408 -7.287 1.00 0.00 C ATOM 0 HA PRO A 15 5.202 8.041 -9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.464 6.154 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.173 5.850 -10.090 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.834 4.926 -8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.230 4.005 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.202 5.008 -6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.697 5.072 -7.295 1.00 0.00 H new ATOM 247 N GLU A 16 3.264 8.932 -10.304 1.00 0.00 N ATOM 248 CA GLU A 16 2.263 9.888 -10.745 1.00 0.00 C ATOM 249 C GLU A 16 0.877 9.241 -10.751 1.00 0.00 C ATOM 250 O GLU A 16 0.711 8.126 -11.242 1.00 0.00 O ATOM 251 CB GLU A 16 2.612 10.451 -12.124 1.00 0.00 C ATOM 252 CG GLU A 16 3.974 11.146 -12.104 1.00 0.00 C ATOM 253 CD GLU A 16 4.232 11.884 -13.419 1.00 0.00 C ATOM 254 OE1 GLU A 16 4.112 11.224 -14.474 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.544 13.093 -13.341 1.00 0.00 O ATOM 0 H GLU A 16 3.981 8.716 -10.996 1.00 0.00 H new ATOM 0 HA GLU A 16 2.250 10.721 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.622 9.645 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.844 11.158 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.015 11.851 -11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.760 10.409 -11.936 1.00 0.00 H new ATOM 262 N GLY A 17 -0.084 9.969 -10.199 1.00 0.00 N ATOM 263 CA GLY A 17 -1.451 9.479 -10.135 1.00 0.00 C ATOM 264 C GLY A 17 -1.807 9.037 -8.715 1.00 0.00 C ATOM 265 O GLY A 17 -2.981 8.855 -8.394 1.00 0.00 O ATOM 0 H GLY A 17 0.057 10.894 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.137 10.261 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.574 8.642 -10.822 1.00 0.00 H new ATOM 269 N LYS A 18 -0.774 8.877 -7.901 1.00 0.00 N ATOM 270 CA LYS A 18 -0.965 8.460 -6.523 1.00 0.00 C ATOM 271 C LYS A 18 -0.059 9.292 -5.612 1.00 0.00 C ATOM 272 O LYS A 18 0.909 9.893 -6.076 1.00 0.00 O ATOM 273 CB LYS A 18 -0.754 6.950 -6.385 1.00 0.00 C ATOM 274 CG LYS A 18 0.546 6.515 -7.065 1.00 0.00 C ATOM 275 CD LYS A 18 0.450 5.068 -7.551 1.00 0.00 C ATOM 276 CE LYS A 18 0.436 5.003 -9.080 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.884 4.544 -9.567 1.00 0.00 N ATOM 0 H LYS A 18 0.198 9.029 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.992 8.646 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.726 6.678 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.596 6.419 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.758 7.173 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.377 6.614 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.294 4.495 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.455 4.607 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.661 5.986 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.215 4.325 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.876 4.506 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.084 3.597 -9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.620 5.207 -9.251 1.00 0.00 H new ATOM 291 N ASN A 19 -0.407 9.301 -4.333 1.00 0.00 N ATOM 292 CA ASN A 19 0.363 10.049 -3.354 1.00 0.00 C ATOM 293 C ASN A 19 0.360 9.294 -2.024 1.00 0.00 C ATOM 294 O ASN A 19 1.385 9.215 -1.348 1.00 0.00 O ATOM 295 CB ASN A 19 -0.247 11.432 -3.115 1.00 0.00 C ATOM 296 CG ASN A 19 0.426 12.130 -1.930 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.486 11.616 -0.826 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.926 13.328 -2.223 1.00 0.00 N ATOM 0 H ASN A 19 -1.211 8.802 -3.953 1.00 0.00 H new ATOM 0 HA ASN A 19 1.377 10.163 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.137 12.042 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.316 11.334 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.395 13.875 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.841 13.699 -3.169 1.00 0.00 H new ATOM 305 N LEU A 20 -0.804 8.758 -1.686 1.00 0.00 N ATOM 306 CA LEU A 20 -0.955 8.012 -0.449 1.00 0.00 C ATOM 307 C LEU A 20 -0.378 6.607 -0.632 1.00 0.00 C ATOM 308 O LEU A 20 -0.263 6.121 -1.757 1.00 0.00 O ATOM 309 CB LEU A 20 -2.414 8.022 0.009 1.00 0.00 C ATOM 310 CG LEU A 20 -2.849 9.232 0.837 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.303 9.606 0.542 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.610 8.990 2.329 1.00 0.00 C ATOM 0 H LEU A 20 -1.652 8.826 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.390 8.487 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.051 7.963 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.596 7.121 0.595 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.233 10.083 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.586 10.469 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.409 9.851 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.952 8.765 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.928 9.866 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.183 8.121 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.549 8.811 2.503 1.00 0.00 H new ATOM 324 N CYS A 21 -0.029 5.993 0.489 1.00 0.00 N ATOM 325 CA CYS A 21 0.533 4.654 0.466 1.00 0.00 C ATOM 326 C CYS A 21 -0.551 3.670 0.911 1.00 0.00 C ATOM 327 O CYS A 21 -1.361 3.986 1.781 1.00 0.00 O ATOM 328 CB CYS A 21 1.787 4.552 1.336 1.00 0.00 C ATOM 329 SG CYS A 21 3.285 5.320 0.615 1.00 0.00 S ATOM 0 H CYS A 21 -0.125 6.399 1.420 1.00 0.00 H new ATOM 0 HA CYS A 21 0.852 4.408 -0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.583 5.020 2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.993 3.499 1.530 1.00 0.00 H new ATOM 334 N TYR A 22 -0.531 2.497 0.294 1.00 0.00 N ATOM 335 CA TYR A 22 -1.502 1.466 0.615 1.00 0.00 C ATOM 336 C TYR A 22 -0.815 0.119 0.846 1.00 0.00 C ATOM 337 O TYR A 22 0.144 -0.220 0.153 1.00 0.00 O ATOM 338 CB TYR A 22 -2.419 1.355 -0.604 1.00 0.00 C ATOM 339 CG TYR A 22 -1.850 0.494 -1.734 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.083 -0.867 -1.748 1.00 0.00 C ATOM 341 CD2 TYR A 22 -1.105 1.077 -2.738 1.00 0.00 C ATOM 342 CE1 TYR A 22 -1.548 -1.677 -2.811 1.00 0.00 C ATOM 343 CE2 TYR A 22 -0.569 0.266 -3.801 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.818 -1.071 -3.786 1.00 0.00 C ATOM 345 OH TYR A 22 -0.311 -1.836 -4.789 1.00 0.00 O ATOM 0 H TYR A 22 0.143 2.238 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.046 1.721 1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.376 0.938 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.618 2.355 -0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.666 -1.323 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.924 2.142 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.722 -2.743 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.017 0.710 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 22 0.187 -1.268 -5.414 1.00 0.00 H new ATOM 355 N LYS A 23 -1.330 -0.614 1.823 1.00 0.00 N ATOM 356 CA LYS A 23 -0.779 -1.916 2.153 1.00 0.00 C ATOM 357 C LYS A 23 -1.909 -2.946 2.205 1.00 0.00 C ATOM 358 O LYS A 23 -2.874 -2.776 2.949 1.00 0.00 O ATOM 359 CB LYS A 23 0.043 -1.838 3.442 1.00 0.00 C ATOM 360 CG LYS A 23 -0.674 -0.996 4.499 1.00 0.00 C ATOM 361 CD LYS A 23 -0.007 0.371 4.656 1.00 0.00 C ATOM 362 CE LYS A 23 1.221 0.282 5.564 1.00 0.00 C ATOM 363 NZ LYS A 23 0.816 0.321 6.987 1.00 0.00 N ATOM 0 H LYS A 23 -2.124 -0.330 2.397 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.085 -2.244 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.217 -2.842 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.020 -1.405 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.719 -0.865 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.665 -1.521 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.287 0.751 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.721 1.082 5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.766 -0.640 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.900 1.108 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.661 0.260 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.316 1.212 7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.186 -0.481 7.191 1.00 0.00 H new ATOM 377 N MET A 24 -1.751 -3.991 1.406 1.00 0.00 N ATOM 378 CA MET A 24 -2.746 -5.049 1.352 1.00 0.00 C ATOM 379 C MET A 24 -2.278 -6.282 2.127 1.00 0.00 C ATOM 380 O MET A 24 -1.161 -6.756 1.931 1.00 0.00 O ATOM 381 CB MET A 24 -3.006 -5.430 -0.107 1.00 0.00 C ATOM 382 CG MET A 24 -3.094 -4.186 -0.992 1.00 0.00 C ATOM 383 SD MET A 24 -3.814 -4.608 -2.570 1.00 0.00 S ATOM 384 CE MET A 24 -4.722 -3.110 -2.907 1.00 0.00 C ATOM 0 H MET A 24 -0.949 -4.128 0.791 1.00 0.00 H new ATOM 0 HA MET A 24 -3.665 -4.683 1.811 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.207 -6.079 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 24 -3.934 -5.998 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.697 -3.422 -0.501 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.100 -3.763 -1.138 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.789 -3.330 -2.934 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.522 -2.379 -2.123 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.410 -2.704 -3.869 1.00 0.00 H new ATOM 394 N PHE A 25 -3.158 -6.766 2.991 1.00 0.00 N ATOM 395 CA PHE A 25 -2.849 -7.936 3.797 1.00 0.00 C ATOM 396 C PHE A 25 -3.941 -8.999 3.661 1.00 0.00 C ATOM 397 O PHE A 25 -5.103 -8.674 3.419 1.00 0.00 O ATOM 398 CB PHE A 25 -2.786 -7.471 5.253 1.00 0.00 C ATOM 399 CG PHE A 25 -1.906 -6.239 5.476 1.00 0.00 C ATOM 400 CD1 PHE A 25 -0.553 -6.345 5.388 1.00 0.00 C ATOM 401 CD2 PHE A 25 -2.477 -5.038 5.760 1.00 0.00 C ATOM 402 CE1 PHE A 25 0.263 -5.201 5.594 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.662 -3.895 5.967 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.308 -4.000 5.879 1.00 0.00 C ATOM 0 H PHE A 25 -4.084 -6.370 3.151 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.907 -8.376 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.796 -7.250 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.411 -8.289 5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.099 -7.299 5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.552 -4.954 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.337 -5.285 5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.116 -2.942 6.194 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.313 -3.130 6.035 1.00 0.00 H new ATOM 414 N MET A 26 -3.530 -10.249 3.822 1.00 0.00 N ATOM 415 CA MET A 26 -4.458 -11.361 3.721 1.00 0.00 C ATOM 416 C MET A 26 -5.214 -11.567 5.035 1.00 0.00 C ATOM 417 O MET A 26 -4.808 -11.052 6.076 1.00 0.00 O ATOM 418 CB MET A 26 -3.689 -12.637 3.369 1.00 0.00 C ATOM 419 CG MET A 26 -3.037 -12.521 1.990 1.00 0.00 C ATOM 420 SD MET A 26 -2.510 -14.131 1.427 1.00 0.00 S ATOM 421 CE MET A 26 -4.049 -14.745 0.761 1.00 0.00 C ATOM 0 H MET A 26 -2.566 -10.515 4.022 1.00 0.00 H new ATOM 0 HA MET A 26 -5.183 -11.135 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.924 -12.824 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.367 -13.490 3.384 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.743 -12.091 1.280 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.183 -11.846 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.144 -15.808 0.984 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.882 -14.204 1.211 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.062 -14.598 -0.319 1.00 0.00 H new ATOM 431 N MET A 27 -6.301 -12.319 4.943 1.00 0.00 N ATOM 432 CA MET A 27 -7.117 -12.599 6.112 1.00 0.00 C ATOM 433 C MET A 27 -6.340 -13.423 7.140 1.00 0.00 C ATOM 434 O MET A 27 -6.472 -13.205 8.343 1.00 0.00 O ATOM 435 CB MET A 27 -8.372 -13.363 5.686 1.00 0.00 C ATOM 436 CG MET A 27 -9.478 -12.402 5.244 1.00 0.00 C ATOM 437 SD MET A 27 -10.631 -12.142 6.580 1.00 0.00 S ATOM 438 CE MET A 27 -10.236 -10.454 7.007 1.00 0.00 C ATOM 0 H MET A 27 -6.635 -12.743 4.078 1.00 0.00 H new ATOM 0 HA MET A 27 -7.396 -11.651 6.573 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.128 -14.042 4.869 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.728 -13.975 6.515 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.043 -11.451 4.938 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.999 -12.808 4.377 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.906 -10.112 7.796 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.205 -10.399 7.357 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.355 -9.819 6.129 1.00 0.00 H new ATOM 448 N SER A 28 -5.547 -14.353 6.627 1.00 0.00 N ATOM 449 CA SER A 28 -4.749 -15.211 7.486 1.00 0.00 C ATOM 450 C SER A 28 -3.612 -14.406 8.118 1.00 0.00 C ATOM 451 O SER A 28 -3.817 -13.713 9.113 1.00 0.00 O ATOM 452 CB SER A 28 -4.186 -16.401 6.705 1.00 0.00 C ATOM 453 OG SER A 28 -3.267 -17.163 7.483 1.00 0.00 O ATOM 0 H SER A 28 -5.440 -14.531 5.628 1.00 0.00 H new ATOM 0 HA SER A 28 -5.393 -15.600 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.006 -17.042 6.381 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.688 -16.041 5.805 1.00 0.00 H new ATOM 0 HG SER A 28 -2.931 -17.914 6.950 1.00 0.00 H new ATOM 459 N ASP A 29 -2.438 -14.526 7.516 1.00 0.00 N ATOM 460 CA ASP A 29 -1.269 -13.818 8.008 1.00 0.00 C ATOM 461 C ASP A 29 -1.364 -12.344 7.609 1.00 0.00 C ATOM 462 O ASP A 29 -0.815 -11.938 6.586 1.00 0.00 O ATOM 463 CB ASP A 29 0.016 -14.390 7.404 1.00 0.00 C ATOM 464 CG ASP A 29 1.275 -14.184 8.248 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.502 -13.023 8.656 1.00 0.00 O ATOM 466 OD2 ASP A 29 1.983 -15.190 8.466 1.00 0.00 O ATOM 0 H ASP A 29 -2.271 -15.103 6.692 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.239 -13.930 9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.122 -15.459 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.174 -13.935 6.426 1.00 0.00 H new ATOM 471 N LEU A 30 -2.066 -11.584 8.437 1.00 0.00 N ATOM 472 CA LEU A 30 -2.240 -10.165 8.182 1.00 0.00 C ATOM 473 C LEU A 30 -0.938 -9.429 8.506 1.00 0.00 C ATOM 474 O LEU A 30 -0.780 -8.259 8.162 1.00 0.00 O ATOM 475 CB LEU A 30 -3.454 -9.630 8.944 1.00 0.00 C ATOM 476 CG LEU A 30 -4.713 -10.498 8.895 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.023 -11.094 10.269 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.900 -9.711 8.331 1.00 0.00 C ATOM 0 H LEU A 30 -2.520 -11.924 9.284 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.451 -9.990 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.171 -9.493 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.701 -8.645 8.549 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.527 -11.331 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.923 -11.706 10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.186 -11.711 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.182 -10.290 10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.782 -10.351 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.097 -8.846 8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.667 -9.376 7.320 1.00 0.00 H new ATOM 490 N THR A 31 -0.039 -10.146 9.164 1.00 0.00 N ATOM 491 CA THR A 31 1.245 -9.576 9.537 1.00 0.00 C ATOM 492 C THR A 31 2.247 -9.721 8.390 1.00 0.00 C ATOM 493 O THR A 31 3.303 -9.089 8.400 1.00 0.00 O ATOM 494 CB THR A 31 1.702 -10.249 10.833 1.00 0.00 C ATOM 495 OG1 THR A 31 1.701 -9.195 11.792 1.00 0.00 O ATOM 496 CG2 THR A 31 3.163 -10.699 10.776 1.00 0.00 C ATOM 0 H THR A 31 -0.174 -11.116 9.448 1.00 0.00 H new ATOM 0 HA THR A 31 1.164 -8.505 9.721 1.00 0.00 H new ATOM 0 HB THR A 31 1.065 -11.109 11.038 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.984 -9.545 12.663 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.436 -11.170 11.720 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.292 -11.414 9.963 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.804 -9.834 10.603 1.00 0.00 H new ATOM 504 N ILE A 32 1.882 -10.558 7.431 1.00 0.00 N ATOM 505 CA ILE A 32 2.736 -10.794 6.279 1.00 0.00 C ATOM 506 C ILE A 32 2.073 -10.213 5.029 1.00 0.00 C ATOM 507 O ILE A 32 1.144 -10.806 4.481 1.00 0.00 O ATOM 508 CB ILE A 32 3.075 -12.282 6.160 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.272 -12.644 7.041 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.297 -12.678 4.699 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.540 -14.151 7.010 1.00 0.00 C ATOM 0 H ILE A 32 1.007 -11.081 7.428 1.00 0.00 H new ATOM 0 HA ILE A 32 3.690 -10.281 6.401 1.00 0.00 H new ATOM 0 HB ILE A 32 2.223 -12.857 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.156 -12.107 6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.083 -12.326 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.536 -13.740 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.391 -12.479 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.122 -12.098 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.396 -14.381 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.663 -14.684 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.753 -14.462 5.987 1.00 0.00 H new ATOM 523 N PRO A 33 2.575 -9.059 4.614 1.00 0.00 N ATOM 524 CA PRO A 33 2.026 -8.370 3.403 1.00 0.00 C ATOM 525 C PRO A 33 1.838 -9.164 2.064 1.00 0.00 C ATOM 526 O PRO A 33 2.636 -10.042 1.741 1.00 0.00 O ATOM 527 CB PRO A 33 2.981 -7.164 3.248 1.00 0.00 C ATOM 528 CG PRO A 33 3.591 -6.933 4.631 1.00 0.00 C ATOM 529 CD PRO A 33 3.692 -8.332 5.237 1.00 0.00 C ATOM 0 HA PRO A 33 0.975 -8.143 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.755 -7.371 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.442 -6.280 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.570 -6.459 4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.964 -6.281 5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.651 -8.799 5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.598 -8.307 6.323 1.00 0.00 H new ATOM 537 N VAL A 34 0.781 -8.810 1.348 1.00 0.00 N ATOM 538 CA VAL A 34 0.482 -9.461 0.083 1.00 0.00 C ATOM 539 C VAL A 34 0.752 -8.486 -1.064 1.00 0.00 C ATOM 540 O VAL A 34 1.254 -8.881 -2.114 1.00 0.00 O ATOM 541 CB VAL A 34 -0.954 -9.989 0.093 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.947 -8.871 0.417 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.300 -10.662 -1.237 1.00 0.00 C ATOM 0 H VAL A 34 0.121 -8.081 1.619 1.00 0.00 H new ATOM 0 HA VAL A 34 1.131 -10.324 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.029 -10.741 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.960 -9.273 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.720 -8.457 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.869 -8.086 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.326 -11.028 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.199 -9.940 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.622 -11.498 -1.409 1.00 0.00 H new ATOM 553 N LYS A 35 0.406 -7.229 -0.824 1.00 0.00 N ATOM 554 CA LYS A 35 0.606 -6.194 -1.823 1.00 0.00 C ATOM 555 C LYS A 35 1.082 -4.912 -1.137 1.00 0.00 C ATOM 556 O LYS A 35 0.677 -4.618 -0.014 1.00 0.00 O ATOM 557 CB LYS A 35 -0.661 -6.008 -2.663 1.00 0.00 C ATOM 558 CG LYS A 35 -1.281 -7.359 -3.025 1.00 0.00 C ATOM 559 CD LYS A 35 -0.503 -8.034 -4.155 1.00 0.00 C ATOM 560 CE LYS A 35 -0.886 -9.511 -4.280 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.254 -9.835 -5.676 1.00 0.00 N ATOM 0 H LYS A 35 -0.012 -6.905 0.048 1.00 0.00 H new ATOM 0 HA LYS A 35 1.386 -6.489 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.384 -5.408 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.421 -5.458 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.290 -8.006 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.319 -7.218 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.704 -7.522 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.567 -7.947 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.052 -10.137 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.722 -9.733 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.511 -10.841 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.064 -9.251 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.446 -9.642 -6.302 1.00 0.00 H new ATOM 575 N ARG A 36 1.935 -4.183 -1.841 1.00 0.00 N ATOM 576 CA ARG A 36 2.471 -2.941 -1.314 1.00 0.00 C ATOM 577 C ARG A 36 2.698 -1.937 -2.447 1.00 0.00 C ATOM 578 O ARG A 36 3.348 -2.255 -3.441 1.00 0.00 O ATOM 579 CB ARG A 36 3.792 -3.178 -0.580 1.00 0.00 C ATOM 580 CG ARG A 36 3.562 -3.341 0.923 1.00 0.00 C ATOM 581 CD ARG A 36 4.891 -3.463 1.672 1.00 0.00 C ATOM 582 NE ARG A 36 4.642 -3.642 3.120 1.00 0.00 N ATOM 583 CZ ARG A 36 5.586 -3.526 4.064 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.847 -3.231 3.718 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.269 -3.705 5.354 1.00 0.00 N ATOM 0 H ARG A 36 2.268 -4.430 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 36 1.744 -2.540 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.277 -4.070 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.467 -2.341 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.003 -2.486 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.954 -4.227 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.459 -4.309 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.495 -2.571 1.506 1.00 0.00 H new ATOM 0 HE ARG A 36 3.693 -3.868 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.088 -3.095 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.566 -3.143 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.309 -3.929 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.987 -3.617 6.073 1.00 0.00 H new ATOM 599 N GLY A 37 2.149 -0.746 -2.259 1.00 0.00 N ATOM 600 CA GLY A 37 2.284 0.305 -3.252 1.00 0.00 C ATOM 601 C GLY A 37 1.611 1.596 -2.779 1.00 0.00 C ATOM 602 O GLY A 37 1.285 1.734 -1.601 1.00 0.00 O ATOM 0 H GLY A 37 1.610 -0.486 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.340 0.492 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.838 -0.019 -4.192 1.00 0.00 H new ATOM 606 N CYS A 38 1.424 2.508 -3.721 1.00 0.00 N ATOM 607 CA CYS A 38 0.797 3.783 -3.415 1.00 0.00 C ATOM 608 C CYS A 38 -0.460 3.919 -4.277 1.00 0.00 C ATOM 609 O CYS A 38 -0.638 3.178 -5.243 1.00 0.00 O ATOM 610 CB CYS A 38 1.761 4.952 -3.624 1.00 0.00 C ATOM 611 SG CYS A 38 3.326 4.835 -2.684 1.00 0.00 S ATOM 0 H CYS A 38 1.696 2.390 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 38 0.519 3.811 -2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.996 5.025 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.255 5.876 -3.345 1.00 0.00 H new ATOM 616 N ILE A 39 -1.299 4.870 -3.896 1.00 0.00 N ATOM 617 CA ILE A 39 -2.535 5.112 -4.621 1.00 0.00 C ATOM 618 C ILE A 39 -2.977 6.560 -4.400 1.00 0.00 C ATOM 619 O ILE A 39 -2.301 7.320 -3.707 1.00 0.00 O ATOM 620 CB ILE A 39 -3.595 4.079 -4.234 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.634 3.915 -5.346 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.243 4.434 -2.894 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.866 2.438 -5.666 1.00 0.00 C ATOM 0 H ILE A 39 -1.148 5.483 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.378 4.987 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.102 3.115 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.573 4.377 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.298 4.437 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.993 3.684 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.480 4.460 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.719 5.412 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.608 2.350 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.930 1.985 -5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.225 1.925 -4.774 1.00 0.00 H new ATOM 635 N ASP A 40 -4.108 6.899 -4.999 1.00 0.00 N ATOM 636 CA ASP A 40 -4.649 8.242 -4.875 1.00 0.00 C ATOM 637 C ASP A 40 -5.765 8.244 -3.829 1.00 0.00 C ATOM 638 O ASP A 40 -5.752 9.053 -2.903 1.00 0.00 O ATOM 639 CB ASP A 40 -5.241 8.722 -6.201 1.00 0.00 C ATOM 640 CG ASP A 40 -6.390 9.725 -6.071 1.00 0.00 C ATOM 641 OD1 ASP A 40 -6.212 10.694 -5.300 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.418 9.502 -6.744 1.00 0.00 O ATOM 0 H ASP A 40 -4.666 6.266 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.836 8.907 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.447 9.177 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.597 7.855 -6.758 1.00 0.00 H new ATOM 647 N VAL A 41 -6.705 7.328 -4.012 1.00 0.00 N ATOM 648 CA VAL A 41 -7.827 7.214 -3.096 1.00 0.00 C ATOM 649 C VAL A 41 -7.663 5.948 -2.251 1.00 0.00 C ATOM 650 O VAL A 41 -7.021 4.991 -2.678 1.00 0.00 O ATOM 651 CB VAL A 41 -9.143 7.246 -3.875 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.190 6.342 -3.220 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.665 8.678 -4.011 1.00 0.00 C ATOM 0 H VAL A 41 -6.712 6.658 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.849 8.062 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.948 6.863 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.116 6.383 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.822 5.316 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.379 6.682 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.601 8.672 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.835 9.099 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.930 9.284 -4.541 1.00 0.00 H new ATOM 663 N CYS A 42 -8.256 5.986 -1.066 1.00 0.00 N ATOM 664 CA CYS A 42 -8.183 4.855 -0.157 1.00 0.00 C ATOM 665 C CYS A 42 -9.128 3.767 -0.669 1.00 0.00 C ATOM 666 O CYS A 42 -10.348 3.921 -0.612 1.00 0.00 O ATOM 667 CB CYS A 42 -8.508 5.263 1.281 1.00 0.00 C ATOM 668 SG CYS A 42 -7.788 4.179 2.568 1.00 0.00 S ATOM 0 H CYS A 42 -8.789 6.782 -0.715 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.164 4.469 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.154 6.281 1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.591 5.279 1.403 1.00 0.00 H new ATOM 673 N PRO A 43 -8.530 2.690 -1.159 1.00 0.00 N ATOM 674 CA PRO A 43 -9.327 1.541 -1.696 1.00 0.00 C ATOM 675 C PRO A 43 -10.222 0.686 -0.734 1.00 0.00 C ATOM 676 O PRO A 43 -9.927 0.571 0.454 1.00 0.00 O ATOM 677 CB PRO A 43 -8.249 0.696 -2.411 1.00 0.00 C ATOM 678 CG PRO A 43 -7.011 1.590 -2.505 1.00 0.00 C ATOM 679 CD PRO A 43 -7.076 2.459 -1.250 1.00 0.00 C ATOM 0 HA PRO A 43 -10.130 1.938 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.032 -0.214 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.586 0.390 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.095 0.999 -2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.027 2.197 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.681 1.949 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.515 3.387 -1.359 1.00 0.00 H new ATOM 687 N LYS A 44 -11.278 0.124 -1.303 1.00 0.00 N ATOM 688 CA LYS A 44 -12.195 -0.697 -0.532 1.00 0.00 C ATOM 689 C LYS A 44 -11.544 -2.052 -0.247 1.00 0.00 C ATOM 690 O LYS A 44 -10.887 -2.624 -1.116 1.00 0.00 O ATOM 691 CB LYS A 44 -13.547 -0.801 -1.242 1.00 0.00 C ATOM 692 CG LYS A 44 -14.229 0.566 -1.326 1.00 0.00 C ATOM 693 CD LYS A 44 -13.768 1.332 -2.568 1.00 0.00 C ATOM 694 CE LYS A 44 -14.795 2.393 -2.970 1.00 0.00 C ATOM 695 NZ LYS A 44 -14.490 2.924 -4.317 1.00 0.00 N ATOM 0 H LYS A 44 -11.519 0.221 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.402 -0.234 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.405 -1.203 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.190 -1.500 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.311 0.436 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.002 1.146 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.807 1.807 -2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.616 0.636 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.796 1.961 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.792 3.205 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.196 3.643 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.543 3.354 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.516 2.149 -5.010 1.00 0.00 H new ATOM 709 N ASN A 45 -11.750 -2.527 0.973 1.00 0.00 N ATOM 710 CA ASN A 45 -11.191 -3.804 1.382 1.00 0.00 C ATOM 711 C ASN A 45 -12.138 -4.929 0.962 1.00 0.00 C ATOM 712 O ASN A 45 -13.283 -4.675 0.589 1.00 0.00 O ATOM 713 CB ASN A 45 -11.024 -3.870 2.902 1.00 0.00 C ATOM 714 CG ASN A 45 -10.427 -2.570 3.445 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.380 -2.111 3.017 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.149 -2.004 4.408 1.00 0.00 N ATOM 0 H ASN A 45 -12.296 -2.051 1.691 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.216 -3.913 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.991 -4.054 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.379 -4.708 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.835 -1.132 4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.016 -2.441 4.719 1.00 0.00 H new ATOM 723 N SER A 46 -11.628 -6.149 1.037 1.00 0.00 N ATOM 724 CA SER A 46 -12.414 -7.314 0.669 1.00 0.00 C ATOM 725 C SER A 46 -12.525 -8.269 1.860 1.00 0.00 C ATOM 726 O SER A 46 -11.901 -8.047 2.897 1.00 0.00 O ATOM 727 CB SER A 46 -11.802 -8.035 -0.534 1.00 0.00 C ATOM 728 OG SER A 46 -10.442 -8.394 -0.306 1.00 0.00 O ATOM 0 H SER A 46 -10.679 -6.356 1.348 1.00 0.00 H new ATOM 0 HA SER A 46 -13.412 -6.977 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.382 -8.932 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.865 -7.393 -1.412 1.00 0.00 H new ATOM 0 HG SER A 46 -10.113 -7.937 0.496 1.00 0.00 H new ATOM 734 N LEU A 47 -13.321 -9.311 1.670 1.00 0.00 N ATOM 735 CA LEU A 47 -13.520 -10.300 2.715 1.00 0.00 C ATOM 736 C LEU A 47 -12.392 -11.330 2.658 1.00 0.00 C ATOM 737 O LEU A 47 -12.432 -12.340 3.359 1.00 0.00 O ATOM 738 CB LEU A 47 -14.918 -10.912 2.613 1.00 0.00 C ATOM 739 CG LEU A 47 -16.086 -9.974 2.924 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.402 -10.536 2.380 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.167 -9.677 4.423 1.00 0.00 C ATOM 0 H LEU A 47 -13.836 -9.492 0.808 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.473 -9.831 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.050 -11.301 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.971 -11.763 3.292 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.906 -9.026 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.215 -9.850 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.328 -10.654 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.601 -11.505 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.006 -9.008 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.311 -10.608 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.242 -9.203 4.751 1.00 0.00 H new ATOM 753 N LEU A 48 -11.411 -11.041 1.816 1.00 0.00 N ATOM 754 CA LEU A 48 -10.272 -11.930 1.659 1.00 0.00 C ATOM 755 C LEU A 48 -9.007 -11.224 2.150 1.00 0.00 C ATOM 756 O LEU A 48 -8.237 -11.790 2.924 1.00 0.00 O ATOM 757 CB LEU A 48 -10.178 -12.428 0.215 1.00 0.00 C ATOM 758 CG LEU A 48 -11.444 -13.065 -0.360 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.200 -12.076 -1.250 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.119 -14.366 -1.096 1.00 0.00 C ATOM 0 H LEU A 48 -11.381 -10.203 1.235 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.397 -12.822 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.898 -11.588 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.370 -13.157 0.155 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.103 -13.321 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.096 -12.554 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.484 -11.202 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.559 -11.766 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.037 -14.798 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.430 -14.158 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.658 -15.070 -0.404 1.00 0.00 H new ATOM 772 N VAL A 49 -8.832 -9.998 1.679 1.00 0.00 N ATOM 773 CA VAL A 49 -7.673 -9.208 2.061 1.00 0.00 C ATOM 774 C VAL A 49 -8.132 -7.818 2.505 1.00 0.00 C ATOM 775 O VAL A 49 -9.245 -7.399 2.192 1.00 0.00 O ATOM 776 CB VAL A 49 -6.666 -9.166 0.910 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.470 -10.557 0.302 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.093 -8.157 -0.156 1.00 0.00 C ATOM 0 H VAL A 49 -9.473 -9.532 1.037 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.161 -9.666 2.907 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.708 -8.839 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.750 -10.499 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.098 -11.239 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.422 -10.924 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.360 -8.147 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.067 -8.439 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.157 -7.164 0.288 1.00 0.00 H new ATOM 788 N LYS A 50 -7.250 -7.141 3.225 1.00 0.00 N ATOM 789 CA LYS A 50 -7.551 -5.806 3.715 1.00 0.00 C ATOM 790 C LYS A 50 -6.488 -4.830 3.207 1.00 0.00 C ATOM 791 O LYS A 50 -5.314 -5.183 3.106 1.00 0.00 O ATOM 792 CB LYS A 50 -7.701 -5.815 5.237 1.00 0.00 C ATOM 793 CG LYS A 50 -8.160 -4.449 5.751 1.00 0.00 C ATOM 794 CD LYS A 50 -8.715 -4.556 7.173 1.00 0.00 C ATOM 795 CE LYS A 50 -7.860 -3.755 8.157 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.891 -4.640 8.841 1.00 0.00 N ATOM 0 H LYS A 50 -6.327 -7.491 3.481 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.510 -5.464 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.421 -6.579 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.750 -6.080 5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.323 -3.751 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.925 -4.045 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.741 -4.189 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.744 -5.602 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.328 -2.965 7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.501 -3.270 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.319 -4.081 9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.404 -5.379 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.268 -5.084 8.136 1.00 0.00 H new ATOM 810 N TYR A 51 -6.937 -3.621 2.903 1.00 0.00 N ATOM 811 CA TYR A 51 -6.040 -2.591 2.409 1.00 0.00 C ATOM 812 C TYR A 51 -5.977 -1.408 3.376 1.00 0.00 C ATOM 813 O TYR A 51 -6.995 -0.778 3.659 1.00 0.00 O ATOM 814 CB TYR A 51 -6.631 -2.118 1.079 1.00 0.00 C ATOM 815 CG TYR A 51 -6.949 -3.250 0.102 1.00 0.00 C ATOM 816 CD1 TYR A 51 -6.078 -4.313 -0.031 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.107 -3.210 -0.649 1.00 0.00 C ATOM 818 CE1 TYR A 51 -6.378 -5.379 -0.952 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.406 -4.276 -1.570 1.00 0.00 C ATOM 820 CZ TYR A 51 -7.526 -5.307 -1.676 1.00 0.00 C ATOM 821 OH TYR A 51 -7.809 -6.314 -2.546 1.00 0.00 O ATOM 0 H TYR A 51 -7.911 -3.332 2.990 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.029 -2.983 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.544 -1.557 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.930 -1.430 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.172 -4.345 0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.789 -2.379 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.706 -6.217 -1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.309 -4.257 -2.163 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.661 -6.130 -2.994 1.00 0.00 H new ATOM 831 N VAL A 52 -4.772 -1.142 3.857 1.00 0.00 N ATOM 832 CA VAL A 52 -4.562 -0.045 4.787 1.00 0.00 C ATOM 833 C VAL A 52 -3.827 1.091 4.074 1.00 0.00 C ATOM 834 O VAL A 52 -2.871 0.849 3.338 1.00 0.00 O ATOM 835 CB VAL A 52 -3.826 -0.546 6.031 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.080 0.596 6.725 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.790 -1.238 6.997 1.00 0.00 C ATOM 0 H VAL A 52 -3.930 -1.667 3.620 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.518 0.352 5.129 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.088 -1.281 5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.566 0.212 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.351 1.025 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.791 1.365 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.241 -1.585 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.562 -0.534 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.255 -2.089 6.500 1.00 0.00 H new ATOM 847 N CYS A 53 -4.299 2.304 4.316 1.00 0.00 N ATOM 848 CA CYS A 53 -3.698 3.478 3.705 1.00 0.00 C ATOM 849 C CYS A 53 -2.800 4.153 4.744 1.00 0.00 C ATOM 850 O CYS A 53 -3.023 4.015 5.946 1.00 0.00 O ATOM 851 CB CYS A 53 -4.756 4.436 3.157 1.00 0.00 C ATOM 852 SG CYS A 53 -5.944 3.680 1.987 1.00 0.00 S ATOM 0 H CYS A 53 -5.092 2.500 4.927 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.097 3.177 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.311 4.859 3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.253 5.264 2.658 1.00 0.00 H new ATOM 857 N CYS A 54 -1.804 4.869 4.243 1.00 0.00 N ATOM 858 CA CYS A 54 -0.872 5.566 5.113 1.00 0.00 C ATOM 859 C CYS A 54 -0.229 6.702 4.315 1.00 0.00 C ATOM 860 O CYS A 54 0.256 6.490 3.205 1.00 0.00 O ATOM 861 CB CYS A 54 0.176 4.616 5.697 1.00 0.00 C ATOM 862 SG CYS A 54 0.933 3.471 4.487 1.00 0.00 S ATOM 0 H CYS A 54 -1.622 4.981 3.246 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.408 5.980 5.967 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.966 5.208 6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.288 4.029 6.490 1.00 0.00 H new ATOM 867 N ASN A 55 -0.247 7.885 4.912 1.00 0.00 N ATOM 868 CA ASN A 55 0.327 9.056 4.271 1.00 0.00 C ATOM 869 C ASN A 55 1.760 9.255 4.772 1.00 0.00 C ATOM 870 O ASN A 55 2.378 10.283 4.504 1.00 0.00 O ATOM 871 CB ASN A 55 -0.470 10.316 4.609 1.00 0.00 C ATOM 872 CG ASN A 55 0.175 11.081 5.766 1.00 0.00 C ATOM 873 OD1 ASN A 55 0.431 12.272 5.693 1.00 0.00 O ATOM 874 ND2 ASN A 55 0.425 10.332 6.837 1.00 0.00 N ATOM 0 H ASN A 55 -0.650 8.058 5.833 1.00 0.00 H new ATOM 0 HA ASN A 55 0.306 8.894 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.529 10.960 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.492 10.044 4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.856 10.749 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.186 9.340 6.833 1.00 0.00 H new ATOM 881 N THR A 56 2.245 8.254 5.492 1.00 0.00 N ATOM 882 CA THR A 56 3.593 8.306 6.033 1.00 0.00 C ATOM 883 C THR A 56 4.573 7.604 5.091 1.00 0.00 C ATOM 884 O THR A 56 4.166 6.810 4.244 1.00 0.00 O ATOM 885 CB THR A 56 3.562 7.700 7.438 1.00 0.00 C ATOM 886 OG1 THR A 56 2.867 6.468 7.270 1.00 0.00 O ATOM 887 CG2 THR A 56 2.678 8.498 8.399 1.00 0.00 C ATOM 0 H THR A 56 1.729 7.402 5.713 1.00 0.00 H new ATOM 0 HA THR A 56 3.947 9.334 6.114 1.00 0.00 H new ATOM 0 HB THR A 56 4.576 7.649 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.803 6.008 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.690 8.026 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.057 9.517 8.481 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.656 8.520 8.020 1.00 0.00 H new ATOM 895 N ASP A 57 5.846 7.923 5.269 1.00 0.00 N ATOM 896 CA ASP A 57 6.888 7.334 4.446 1.00 0.00 C ATOM 897 C ASP A 57 7.258 5.959 5.005 1.00 0.00 C ATOM 898 O ASP A 57 6.990 5.666 6.169 1.00 0.00 O ATOM 899 CB ASP A 57 8.149 8.200 4.449 1.00 0.00 C ATOM 900 CG ASP A 57 7.904 9.700 4.632 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.711 10.373 3.596 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.915 10.138 5.802 1.00 0.00 O ATOM 0 H ASP A 57 6.180 8.583 5.972 1.00 0.00 H new ATOM 0 HA ASP A 57 6.508 7.255 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.807 7.855 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.680 8.046 3.509 1.00 0.00 H new ATOM 907 N ARG A 58 7.868 5.152 4.149 1.00 0.00 N ATOM 908 CA ARG A 58 8.276 3.814 4.544 1.00 0.00 C ATOM 909 C ARG A 58 7.239 3.197 5.483 1.00 0.00 C ATOM 910 O ARG A 58 7.593 2.519 6.446 1.00 0.00 O ATOM 911 CB ARG A 58 9.638 3.838 5.243 1.00 0.00 C ATOM 912 CG ARG A 58 10.752 4.210 4.263 1.00 0.00 C ATOM 913 CD ARG A 58 11.651 5.303 4.844 1.00 0.00 C ATOM 914 NE ARG A 58 12.775 4.692 5.588 1.00 0.00 N ATOM 915 CZ ARG A 58 13.898 5.341 5.919 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.055 6.627 5.575 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.865 4.706 6.597 1.00 0.00 N ATOM 0 H ARG A 58 8.089 5.399 3.184 1.00 0.00 H new ATOM 0 HA ARG A 58 8.355 3.211 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.617 4.555 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.844 2.860 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.349 3.327 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.316 4.553 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.035 5.934 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.073 5.947 5.507 1.00 0.00 H new ATOM 0 HE ARG A 58 12.688 3.714 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.319 7.111 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.911 7.122 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.745 3.728 6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.721 5.201 6.849 1.00 0.00 H new ATOM 931 N CYS A 59 5.977 3.454 5.170 1.00 0.00 N ATOM 932 CA CYS A 59 4.886 2.933 5.975 1.00 0.00 C ATOM 933 C CYS A 59 4.565 1.517 5.490 1.00 0.00 C ATOM 934 O CYS A 59 4.415 0.601 6.296 1.00 0.00 O ATOM 935 CB CYS A 59 3.658 3.845 5.922 1.00 0.00 C ATOM 936 SG CYS A 59 2.857 3.960 4.281 1.00 0.00 S ATOM 0 H CYS A 59 5.686 4.016 4.370 1.00 0.00 H new ATOM 0 HA CYS A 59 5.188 2.899 7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.925 3.486 6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.952 4.846 6.238 1.00 0.00 H new ATOM 941 N ASN A 60 4.472 1.383 4.175 1.00 0.00 N ATOM 942 CA ASN A 60 4.173 0.095 3.573 1.00 0.00 C ATOM 943 C ASN A 60 5.427 -0.442 2.880 1.00 0.00 C ATOM 944 O ASN A 60 6.050 0.260 2.086 1.00 0.00 O ATOM 945 CB ASN A 60 3.068 0.221 2.523 1.00 0.00 C ATOM 946 CG ASN A 60 3.604 0.850 1.236 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.554 2.052 1.034 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.120 -0.027 0.379 1.00 0.00 N ATOM 0 H ASN A 60 4.599 2.146 3.510 1.00 0.00 H new ATOM 0 HA ASN A 60 3.843 -0.579 4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.654 -0.764 2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.254 0.829 2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.505 0.294 -0.509 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.131 -1.020 0.610 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -0.971 -12.068 3.817 1.00 0.00 O