USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN : amide:sc= -3.21! K(o=-9.2!,f=-6) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.97 K(o=-9.2,f=-9.8!) USER MOD Set 2.1: 1 37 THR OG1 : rot -173:sc= -1.2 USER MOD Set 2.2: 1 40 SER OG : rot 134:sc= -1.42 USER MOD Single : 1 1 SER N :NH3+ -145:sc= 0.302 (180deg=-0.16) USER MOD Single : 1 1 SER OG : rot 180:sc= 0.163 USER MOD Single : 1 7 ASN : amide:sc= -5.56! C(o=-5.6!,f=-6.2!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -5.88! K(o=-5.9!,f=-0.86) USER MOD Single : 1 33 THR OG1 : rot -33:sc= 0.00509 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.3) USER MOD Single : 1 43 ASN : amide:sc= -5.77! C(o=-5.8!,f=-8.4!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.28) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.894 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 156:sc= -0.0971 (180deg=-0.418) USER MOD Single : 1 76 SER OG : rot -44:sc= 0.388 USER MOD Single : 1 77 SER OG : rot -174:sc= 0.597 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 20.488 3.256 -11.282 1.00 0.00 N ATOM 2 CA SER 1 1 19.848 3.486 -9.960 1.00 0.00 C ATOM 3 C SER 1 1 18.371 3.101 -9.987 1.00 0.00 C ATOM 4 O SER 1 1 17.503 3.953 -10.172 1.00 0.00 O ATOM 5 CB SER 1 1 20.002 4.964 -9.596 1.00 0.00 C ATOM 6 OG SER 1 1 19.924 5.785 -10.748 1.00 0.00 O ATOM 0 H1 SER 1 1 21.470 2.944 -11.143 1.00 0.00 H new ATOM 0 H2 SER 1 1 19.962 2.523 -11.799 1.00 0.00 H new ATOM 0 H3 SER 1 1 20.480 4.140 -11.830 1.00 0.00 H new ATOM 0 HA SER 1 1 20.336 2.861 -9.212 1.00 0.00 H new ATOM 0 HB2 SER 1 1 19.224 5.250 -8.889 1.00 0.00 H new ATOM 0 HB3 SER 1 1 20.959 5.121 -9.098 1.00 0.00 H new ATOM 0 HG SER 1 1 20.024 6.724 -10.488 1.00 0.00 H new ATOM 14 N PRO 1 2 18.067 1.805 -9.801 1.00 0.00 N ATOM 15 CA PRO 1 2 16.687 1.310 -9.804 1.00 0.00 C ATOM 16 C PRO 1 2 15.779 2.082 -8.845 1.00 0.00 C ATOM 17 O PRO 1 2 14.686 2.501 -9.226 1.00 0.00 O ATOM 18 CB PRO 1 2 16.825 -0.148 -9.358 1.00 0.00 C ATOM 19 CG PRO 1 2 18.220 -0.527 -9.718 1.00 0.00 C ATOM 20 CD PRO 1 2 19.043 0.723 -9.572 1.00 0.00 C ATOM 0 HA PRO 1 2 16.221 1.427 -10.783 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 16.651 -0.252 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 16.099 -0.786 -9.862 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 18.591 -1.316 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 18.269 -0.909 -10.738 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 19.495 0.793 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 19.856 0.755 -10.297 1.00 0.00 H new ATOM 28 N PRO 1 3 16.211 2.284 -7.584 1.00 0.00 N ATOM 29 CA PRO 1 3 15.412 3.010 -6.588 1.00 0.00 C ATOM 30 C PRO 1 3 15.323 4.504 -6.888 1.00 0.00 C ATOM 31 O PRO 1 3 15.757 5.335 -6.090 1.00 0.00 O ATOM 32 CB PRO 1 3 16.170 2.773 -5.282 1.00 0.00 C ATOM 33 CG PRO 1 3 17.575 2.509 -5.694 1.00 0.00 C ATOM 34 CD PRO 1 3 17.500 1.822 -7.029 1.00 0.00 C ATOM 0 HA PRO 1 3 14.379 2.663 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.108 3.642 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.755 1.928 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 18.140 3.438 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 18.084 1.882 -4.962 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.336 2.100 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 17.526 0.737 -6.924 1.00 0.00 H new ATOM 42 N VAL 1 4 14.760 4.838 -8.043 1.00 0.00 N ATOM 43 CA VAL 1 4 14.616 6.230 -8.451 1.00 0.00 C ATOM 44 C VAL 1 4 13.156 6.605 -8.670 1.00 0.00 C ATOM 45 O VAL 1 4 12.339 5.765 -9.047 1.00 0.00 O ATOM 46 CB VAL 1 4 15.400 6.524 -9.744 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.886 6.659 -9.452 1.00 0.00 C ATOM 48 CG2 VAL 1 4 15.148 5.442 -10.783 1.00 0.00 C ATOM 0 H VAL 1 4 14.395 4.163 -8.715 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.022 6.830 -7.637 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.047 7.472 -10.150 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 17.421 6.866 -10.378 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 17.046 7.477 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 17.257 5.730 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 15.711 5.669 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.468 4.477 -10.389 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 14.084 5.403 -11.017 1.00 0.00 H new ATOM 58 N CYS 1 5 12.842 7.878 -8.456 1.00 0.00 N ATOM 59 CA CYS 1 5 11.486 8.369 -8.658 1.00 0.00 C ATOM 60 C CYS 1 5 11.270 8.607 -10.143 1.00 0.00 C ATOM 61 O CYS 1 5 11.493 9.703 -10.658 1.00 0.00 O ATOM 62 CB CYS 1 5 11.256 9.662 -7.871 1.00 0.00 C ATOM 63 SG CYS 1 5 9.801 9.622 -6.775 1.00 0.00 S ATOM 0 H CYS 1 5 13.507 8.586 -8.144 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.773 7.628 -8.296 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.142 9.872 -7.272 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.144 10.487 -8.574 1.00 0.00 H new ATOM 68 N GLY 1 6 10.864 7.547 -10.822 1.00 0.00 N ATOM 69 CA GLY 1 6 10.647 7.597 -12.251 1.00 0.00 C ATOM 70 C GLY 1 6 11.016 6.279 -12.906 1.00 0.00 C ATOM 71 O GLY 1 6 11.367 6.230 -14.085 1.00 0.00 O ATOM 0 H GLY 1 6 10.678 6.637 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.602 7.828 -12.455 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.242 8.401 -12.684 1.00 0.00 H new ATOM 75 N ASN 1 7 10.926 5.209 -12.121 1.00 0.00 N ATOM 76 CA ASN 1 7 11.234 3.864 -12.580 1.00 0.00 C ATOM 77 C ASN 1 7 10.089 2.935 -12.209 1.00 0.00 C ATOM 78 O ASN 1 7 10.233 1.713 -12.215 1.00 0.00 O ATOM 79 CB ASN 1 7 12.531 3.370 -11.931 1.00 0.00 C ATOM 80 CG ASN 1 7 12.967 2.020 -12.465 1.00 0.00 C ATOM 81 OD1 ASN 1 7 12.394 1.505 -13.426 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.986 1.439 -11.843 1.00 0.00 N ATOM 0 H ASN 1 7 10.636 5.254 -11.144 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.364 3.873 -13.662 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.322 4.099 -12.106 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.392 3.303 -10.852 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.324 0.529 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.431 1.902 -11.051 1.00 0.00 H new ATOM 89 N LYS 1 8 8.959 3.541 -11.849 1.00 0.00 N ATOM 90 CA LYS 1 8 7.780 2.805 -11.430 1.00 0.00 C ATOM 91 C LYS 1 8 8.007 2.195 -10.050 1.00 0.00 C ATOM 92 O LYS 1 8 7.233 1.356 -9.587 1.00 0.00 O ATOM 93 CB LYS 1 8 7.403 1.729 -12.452 1.00 0.00 C ATOM 94 CG LYS 1 8 7.041 2.295 -13.817 1.00 0.00 C ATOM 95 CD LYS 1 8 8.183 2.139 -14.808 1.00 0.00 C ATOM 96 CE LYS 1 8 7.675 1.755 -16.188 1.00 0.00 C ATOM 97 NZ LYS 1 8 8.597 2.210 -17.266 1.00 0.00 N ATOM 0 H LYS 1 8 8.841 4.554 -11.841 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.944 3.502 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.237 1.036 -12.563 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.560 1.154 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.155 1.787 -14.199 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.786 3.350 -13.718 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 8.741 3.073 -14.872 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 8.876 1.378 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 7.558 0.673 -16.243 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 6.689 2.191 -16.346 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 8.215 1.929 -18.191 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 8.689 3.245 -17.230 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 9.531 1.774 -17.130 1.00 0.00 H new ATOM 111 N ILE 1 9 9.070 2.653 -9.394 1.00 0.00 N ATOM 112 CA ILE 1 9 9.420 2.204 -8.059 1.00 0.00 C ATOM 113 C ILE 1 9 9.195 3.342 -7.079 1.00 0.00 C ATOM 114 O ILE 1 9 9.287 4.511 -7.453 1.00 0.00 O ATOM 115 CB ILE 1 9 10.894 1.754 -7.976 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.143 0.573 -8.915 1.00 0.00 C ATOM 117 CG2 ILE 1 9 11.266 1.387 -6.545 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.511 0.592 -9.561 1.00 0.00 C ATOM 0 H ILE 1 9 9.711 3.347 -9.778 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.790 1.349 -7.813 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.525 2.586 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 11.027 -0.356 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.382 0.573 -9.695 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 12.309 1.073 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 11.126 2.254 -5.899 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.629 0.572 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.617 -0.275 -10.213 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.624 1.504 -10.148 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 13.279 0.561 -8.788 1.00 0.00 H new ATOM 130 N LEU 1 10 8.899 3.011 -5.835 1.00 0.00 N ATOM 131 CA LEU 1 10 8.667 4.033 -4.824 1.00 0.00 C ATOM 132 C LEU 1 10 9.966 4.722 -4.450 1.00 0.00 C ATOM 133 O LEU 1 10 10.270 4.883 -3.268 1.00 0.00 O ATOM 134 CB LEU 1 10 8.052 3.416 -3.576 1.00 0.00 C ATOM 135 CG LEU 1 10 6.658 2.841 -3.761 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.742 1.480 -4.429 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.955 2.752 -2.418 1.00 0.00 C ATOM 0 H LEU 1 10 8.813 2.051 -5.500 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.979 4.768 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 8.710 2.624 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 8.014 4.175 -2.795 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.076 3.499 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.738 1.075 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.220 1.582 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 7.328 0.805 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.956 2.339 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 6.525 2.106 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.878 3.747 -1.981 1.00 0.00 H new ATOM 149 N GLU 1 11 10.739 5.123 -5.458 1.00 0.00 N ATOM 150 CA GLU 1 11 12.010 5.784 -5.222 1.00 0.00 C ATOM 151 C GLU 1 11 12.707 5.157 -4.018 1.00 0.00 C ATOM 152 O GLU 1 11 12.906 5.801 -2.988 1.00 0.00 O ATOM 153 CB GLU 1 11 11.787 7.273 -4.997 1.00 0.00 C ATOM 154 CG GLU 1 11 13.030 7.990 -4.515 1.00 0.00 C ATOM 155 CD GLU 1 11 13.117 9.422 -5.005 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.395 10.282 -4.458 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.908 9.684 -5.935 1.00 0.00 O ATOM 0 H GLU 1 11 10.503 4.999 -6.443 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.648 5.658 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.449 7.729 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 10.989 7.409 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.047 7.983 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.911 7.443 -4.851 1.00 0.00 H new ATOM 164 N GLN 1 12 13.048 3.886 -4.154 1.00 0.00 N ATOM 165 CA GLN 1 12 13.697 3.148 -3.075 1.00 0.00 C ATOM 166 C GLN 1 12 12.719 2.872 -1.934 1.00 0.00 C ATOM 167 O GLN 1 12 12.211 1.760 -1.792 1.00 0.00 O ATOM 168 CB GLN 1 12 14.922 3.907 -2.549 1.00 0.00 C ATOM 169 CG GLN 1 12 16.124 3.013 -2.290 1.00 0.00 C ATOM 170 CD GLN 1 12 16.353 2.758 -0.813 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.758 3.653 -0.072 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.095 1.530 -0.378 1.00 0.00 N ATOM 0 H GLN 1 12 12.887 3.340 -5.001 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.030 2.194 -3.483 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 15.200 4.676 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.653 4.418 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.981 2.061 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 17.014 3.474 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.761 0.819 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.231 1.298 0.606 1.00 0.00 H new ATOM 181 N GLY 1 13 12.458 3.894 -1.130 1.00 0.00 N ATOM 182 CA GLY 1 13 11.540 3.761 -0.012 1.00 0.00 C ATOM 183 C GLY 1 13 10.847 5.073 0.282 1.00 0.00 C ATOM 184 O GLY 1 13 10.748 5.498 1.433 1.00 0.00 O ATOM 0 H GLY 1 13 12.869 4.822 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.797 2.996 -0.237 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.084 3.427 0.872 1.00 0.00 H new ATOM 188 N GLU 1 14 10.394 5.723 -0.780 1.00 0.00 N ATOM 189 CA GLU 1 14 9.729 7.014 -0.683 1.00 0.00 C ATOM 190 C GLU 1 14 8.259 6.876 -0.288 1.00 0.00 C ATOM 191 O GLU 1 14 7.747 7.676 0.494 1.00 0.00 O ATOM 192 CB GLU 1 14 9.853 7.731 -2.021 1.00 0.00 C ATOM 193 CG GLU 1 14 11.064 8.642 -2.104 1.00 0.00 C ATOM 194 CD GLU 1 14 10.965 9.831 -1.169 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.122 10.717 -1.421 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.732 9.877 -0.184 1.00 0.00 O ATOM 0 H GLU 1 14 10.477 5.370 -1.733 1.00 0.00 H new ATOM 0 HA GLU 1 14 10.214 7.594 0.103 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.909 6.990 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.952 8.319 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.961 8.070 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 11.176 8.998 -3.128 1.00 0.00 H new ATOM 203 N ASP 1 15 7.590 5.872 -0.855 1.00 0.00 N ATOM 204 CA ASP 1 15 6.168 5.612 -0.602 1.00 0.00 C ATOM 205 C ASP 1 15 5.329 6.322 -1.648 1.00 0.00 C ATOM 206 O ASP 1 15 4.261 6.862 -1.360 1.00 0.00 O ATOM 207 CB ASP 1 15 5.742 6.049 0.806 1.00 0.00 C ATOM 208 CG ASP 1 15 6.700 5.569 1.879 1.00 0.00 C ATOM 209 OD1 ASP 1 15 7.032 4.365 1.882 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.119 6.397 2.715 1.00 0.00 O ATOM 0 H ASP 1 15 8.018 5.213 -1.505 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.008 4.536 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.678 7.137 0.841 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.744 5.664 1.016 1.00 0.00 H new ATOM 215 N CYS 1 16 5.840 6.304 -2.871 1.00 0.00 N ATOM 216 CA CYS 1 16 5.180 6.929 -4.002 1.00 0.00 C ATOM 217 C CYS 1 16 5.905 6.563 -5.284 1.00 0.00 C ATOM 218 O CYS 1 16 6.920 7.168 -5.629 1.00 0.00 O ATOM 219 CB CYS 1 16 5.164 8.441 -3.831 1.00 0.00 C ATOM 220 SG CYS 1 16 3.631 9.259 -4.378 1.00 0.00 S ATOM 0 H CYS 1 16 6.725 5.854 -3.104 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.152 6.570 -4.054 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.328 8.675 -2.779 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 6.002 8.864 -4.386 1.00 0.00 H new ATOM 225 N ASP 1 17 5.400 5.554 -5.976 1.00 0.00 N ATOM 226 CA ASP 1 17 6.028 5.097 -7.203 1.00 0.00 C ATOM 227 C ASP 1 17 5.211 5.474 -8.433 1.00 0.00 C ATOM 228 O ASP 1 17 4.036 5.126 -8.549 1.00 0.00 O ATOM 229 CB ASP 1 17 6.237 3.586 -7.135 1.00 0.00 C ATOM 230 CG ASP 1 17 4.938 2.809 -7.229 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.896 3.338 -6.787 1.00 0.00 O ATOM 232 OD2 ASP 1 17 4.962 1.672 -7.745 1.00 0.00 O ATOM 0 H ASP 1 17 4.561 5.039 -5.710 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.994 5.593 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 6.899 3.278 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 6.739 3.335 -6.201 1.00 0.00 H new ATOM 237 N CYS 1 18 5.856 6.184 -9.350 1.00 0.00 N ATOM 238 CA CYS 1 18 5.218 6.616 -10.585 1.00 0.00 C ATOM 239 C CYS 1 18 6.276 6.920 -11.644 1.00 0.00 C ATOM 240 O CYS 1 18 7.205 7.690 -11.401 1.00 0.00 O ATOM 241 CB CYS 1 18 4.362 7.859 -10.331 1.00 0.00 C ATOM 242 SG CYS 1 18 2.729 7.512 -9.605 1.00 0.00 S ATOM 0 H CYS 1 18 6.830 6.475 -9.259 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.575 5.813 -10.946 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.906 8.530 -9.667 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.222 8.388 -11.274 1.00 0.00 H new ATOM 247 N GLY 1 19 6.132 6.309 -12.815 1.00 0.00 N ATOM 248 CA GLY 1 19 7.086 6.524 -13.890 1.00 0.00 C ATOM 249 C GLY 1 19 7.335 7.994 -14.167 1.00 0.00 C ATOM 250 O GLY 1 19 8.480 8.445 -14.184 1.00 0.00 O ATOM 0 H GLY 1 19 5.371 5.668 -13.040 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.030 6.042 -13.635 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 6.719 6.045 -14.797 1.00 0.00 H new ATOM 254 N SER 1 20 6.262 8.742 -14.385 1.00 0.00 N ATOM 255 CA SER 1 20 6.371 10.171 -14.661 1.00 0.00 C ATOM 256 C SER 1 20 5.286 10.956 -13.926 1.00 0.00 C ATOM 257 O SER 1 20 4.140 10.514 -13.846 1.00 0.00 O ATOM 258 CB SER 1 20 6.271 10.429 -16.166 1.00 0.00 C ATOM 259 OG SER 1 20 6.615 9.271 -16.906 1.00 0.00 O ATOM 0 H SER 1 20 5.307 8.385 -14.376 1.00 0.00 H new ATOM 0 HA SER 1 20 7.343 10.510 -14.303 1.00 0.00 H new ATOM 0 HB2 SER 1 20 5.257 10.738 -16.419 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.932 11.250 -16.442 1.00 0.00 H new ATOM 0 HG SER 1 20 6.541 9.461 -17.864 1.00 0.00 H new ATOM 265 N PRO 1 21 5.628 12.138 -13.380 1.00 0.00 N ATOM 266 CA PRO 1 21 4.669 12.979 -12.657 1.00 0.00 C ATOM 267 C PRO 1 21 3.353 13.134 -13.414 1.00 0.00 C ATOM 268 O PRO 1 21 2.283 13.210 -12.811 1.00 0.00 O ATOM 269 CB PRO 1 21 5.389 14.323 -12.555 1.00 0.00 C ATOM 270 CG PRO 1 21 6.837 13.974 -12.562 1.00 0.00 C ATOM 271 CD PRO 1 21 6.971 12.750 -13.428 1.00 0.00 C ATOM 0 HA PRO 1 21 4.394 12.553 -11.692 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 5.134 14.974 -13.391 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 5.113 14.853 -11.643 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 7.434 14.797 -12.956 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 7.195 13.777 -11.551 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 7.256 13.010 -14.447 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 7.734 12.071 -13.047 1.00 0.00 H new ATOM 279 N ALA 1 22 3.443 13.171 -14.739 1.00 0.00 N ATOM 280 CA ALA 1 22 2.263 13.307 -15.583 1.00 0.00 C ATOM 281 C ALA 1 22 1.624 11.948 -15.843 1.00 0.00 C ATOM 282 O ALA 1 22 0.426 11.854 -16.112 1.00 0.00 O ATOM 283 CB ALA 1 22 2.627 13.983 -16.896 1.00 0.00 C ATOM 0 H ALA 1 22 4.323 13.109 -15.252 1.00 0.00 H new ATOM 0 HA ALA 1 22 1.538 13.930 -15.059 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 1.735 14.078 -17.516 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 3.036 14.973 -16.694 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 3.371 13.383 -17.420 1.00 0.00 H new ATOM 289 N ASN 1 23 2.431 10.895 -15.753 1.00 0.00 N ATOM 290 CA ASN 1 23 1.948 9.537 -15.970 1.00 0.00 C ATOM 291 C ASN 1 23 1.872 8.776 -14.649 1.00 0.00 C ATOM 292 O ASN 1 23 1.886 7.545 -14.628 1.00 0.00 O ATOM 293 CB ASN 1 23 2.861 8.797 -16.949 1.00 0.00 C ATOM 294 CG ASN 1 23 2.409 8.948 -18.388 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.913 9.796 -19.123 1.00 0.00 O ATOM 296 ND2 ASN 1 23 1.453 8.122 -18.797 1.00 0.00 N ATOM 0 H ASN 1 23 3.425 10.957 -15.531 1.00 0.00 H new ATOM 0 HA ASN 1 23 0.947 9.595 -16.397 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 3.878 9.175 -16.849 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.887 7.739 -16.688 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 1.108 8.176 -19.755 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 1.064 7.434 -18.153 1.00 0.00 H new ATOM 303 N CYS 1 24 1.792 9.520 -13.550 1.00 0.00 N ATOM 304 CA CYS 1 24 1.712 8.926 -12.226 1.00 0.00 C ATOM 305 C CYS 1 24 0.382 8.216 -12.042 1.00 0.00 C ATOM 306 O CYS 1 24 -0.592 8.806 -11.576 1.00 0.00 O ATOM 307 CB CYS 1 24 1.890 9.997 -11.151 1.00 0.00 C ATOM 308 SG CYS 1 24 1.876 9.349 -9.447 1.00 0.00 S ATOM 0 H CYS 1 24 1.781 10.540 -13.554 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.514 8.194 -12.128 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.833 10.517 -11.323 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 1.095 10.736 -11.254 1.00 0.00 H new ATOM 313 N GLN 1 25 0.349 6.947 -12.423 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.863 6.139 -12.316 1.00 0.00 C ATOM 315 C GLN 1 25 -1.218 5.832 -10.858 1.00 0.00 C ATOM 316 O GLN 1 25 -1.458 4.679 -10.499 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.694 4.833 -13.096 1.00 0.00 C ATOM 318 CG GLN 1 25 0.412 3.942 -12.556 1.00 0.00 C ATOM 319 CD GLN 1 25 0.793 2.836 -13.521 1.00 0.00 C ATOM 320 OE1 GLN 1 25 1.541 3.058 -14.474 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.278 1.636 -13.280 1.00 0.00 N ATOM 0 H GLN 1 25 1.151 6.450 -12.811 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.682 6.718 -12.743 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.635 4.283 -13.076 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.484 5.067 -14.140 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.291 4.550 -12.341 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.090 3.501 -11.612 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -0.337 1.497 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.498 0.854 -13.896 1.00 0.00 H new ATOM 330 N ASP 1 26 -1.264 6.869 -10.026 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.606 6.710 -8.618 1.00 0.00 C ATOM 332 C ASP 1 26 -2.265 7.979 -8.085 1.00 0.00 C ATOM 333 O ASP 1 26 -1.586 8.933 -7.706 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.359 6.376 -7.797 1.00 0.00 C ATOM 335 CG ASP 1 26 0.345 5.129 -8.295 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.982 5.193 -9.367 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.259 4.087 -7.611 1.00 0.00 O ATOM 0 H ASP 1 26 -1.068 7.830 -10.305 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.312 5.885 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.332 7.218 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.641 6.238 -6.753 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.594 7.984 -8.075 1.00 0.00 N ATOM 343 CA ARG 1 27 -4.359 9.136 -7.609 1.00 0.00 C ATOM 344 C ARG 1 27 -3.996 9.516 -6.176 1.00 0.00 C ATOM 345 O ARG 1 27 -3.996 10.694 -5.821 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.858 8.846 -7.704 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.731 10.022 -7.299 1.00 0.00 C ATOM 348 CD ARG 1 27 -8.107 9.940 -7.940 1.00 0.00 C ATOM 349 NE ARG 1 27 -9.146 10.505 -7.081 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.249 11.801 -6.797 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.381 12.669 -7.300 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.224 12.230 -6.007 1.00 0.00 N ATOM 0 H ARG 1 27 -4.166 7.199 -8.386 1.00 0.00 H new ATOM 0 HA ARG 1 27 -4.107 9.979 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -6.100 8.560 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -6.096 7.992 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.834 10.043 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.247 10.954 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -8.096 10.471 -8.892 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -8.344 8.899 -8.158 1.00 0.00 H new ATOM 0 HE ARG 1 27 -9.832 9.869 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.629 12.344 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.465 13.661 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -10.894 11.567 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.304 13.223 -5.789 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.697 8.517 -5.351 1.00 0.00 N ATOM 367 CA CYS 1 28 -3.346 8.766 -3.956 1.00 0.00 C ATOM 368 C CYS 1 28 -1.832 8.844 -3.772 1.00 0.00 C ATOM 369 O CYS 1 28 -1.320 8.593 -2.681 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.923 7.672 -3.048 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.445 6.884 -3.675 1.00 0.00 S ATOM 0 H CYS 1 28 -3.690 7.534 -5.621 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.778 9.726 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.165 6.902 -2.903 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -4.131 8.104 -2.069 1.00 0.00 H new ATOM 376 N CYS 1 29 -1.117 9.192 -4.838 1.00 0.00 N ATOM 377 CA CYS 1 29 0.337 9.296 -4.775 1.00 0.00 C ATOM 378 C CYS 1 29 0.869 10.241 -5.847 1.00 0.00 C ATOM 379 O CYS 1 29 0.529 10.118 -7.023 1.00 0.00 O ATOM 380 CB CYS 1 29 0.972 7.906 -4.928 1.00 0.00 C ATOM 381 SG CYS 1 29 2.686 7.905 -5.560 1.00 0.00 S ATOM 0 H CYS 1 29 -1.518 9.406 -5.751 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.606 9.706 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 0.958 7.408 -3.958 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 0.353 7.312 -5.600 1.00 0.00 H new ATOM 386 N ASN 1 30 1.719 11.174 -5.432 1.00 0.00 N ATOM 387 CA ASN 1 30 2.319 12.127 -6.354 1.00 0.00 C ATOM 388 C ASN 1 30 3.815 11.846 -6.513 1.00 0.00 C ATOM 389 O ASN 1 30 4.574 11.894 -5.539 1.00 0.00 O ATOM 390 CB ASN 1 30 2.100 13.558 -5.856 1.00 0.00 C ATOM 391 CG ASN 1 30 2.760 14.592 -6.747 1.00 0.00 C ATOM 392 OD1 ASN 1 30 2.447 14.698 -7.933 1.00 0.00 O ATOM 393 ND2 ASN 1 30 3.679 15.362 -6.177 1.00 0.00 N ATOM 0 H ASN 1 30 2.007 11.289 -4.460 1.00 0.00 H new ATOM 0 HA ASN 1 30 1.839 12.017 -7.326 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.030 13.760 -5.801 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 2.494 13.651 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.157 16.077 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 3.907 15.239 -5.190 1.00 0.00 H new ATOM 400 N ALA 1 31 4.230 11.550 -7.745 1.00 0.00 N ATOM 401 CA ALA 1 31 5.633 11.265 -8.033 1.00 0.00 C ATOM 402 C ALA 1 31 6.485 12.517 -7.854 1.00 0.00 C ATOM 403 O ALA 1 31 7.601 12.457 -7.338 1.00 0.00 O ATOM 404 CB ALA 1 31 5.781 10.728 -9.448 1.00 0.00 C ATOM 0 H ALA 1 31 3.615 11.502 -8.557 1.00 0.00 H new ATOM 0 HA ALA 1 31 5.981 10.508 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 6.832 10.520 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.203 9.810 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 5.415 11.469 -10.159 1.00 0.00 H new ATOM 410 N ALA 1 32 5.945 13.653 -8.289 1.00 0.00 N ATOM 411 CA ALA 1 32 6.640 14.933 -8.188 1.00 0.00 C ATOM 412 C ALA 1 32 7.153 15.189 -6.772 1.00 0.00 C ATOM 413 O ALA 1 32 8.088 15.965 -6.574 1.00 0.00 O ATOM 414 CB ALA 1 32 5.718 16.062 -8.624 1.00 0.00 C ATOM 0 H ALA 1 32 5.021 13.712 -8.718 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.505 14.895 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.245 17.013 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 5.410 15.902 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 4.837 16.081 -7.982 1.00 0.00 H new ATOM 420 N THR 1 33 6.545 14.529 -5.791 1.00 0.00 N ATOM 421 CA THR 1 33 6.951 14.685 -4.401 1.00 0.00 C ATOM 422 C THR 1 33 7.506 13.374 -3.864 1.00 0.00 C ATOM 423 O THR 1 33 8.196 13.349 -2.845 1.00 0.00 O ATOM 424 CB THR 1 33 5.767 15.139 -3.541 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.213 15.596 -2.277 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.743 14.048 -3.299 1.00 0.00 C ATOM 0 H THR 1 33 5.770 13.882 -5.934 1.00 0.00 H new ATOM 0 HA THR 1 33 7.729 15.447 -4.356 1.00 0.00 H new ATOM 0 HB THR 1 33 5.291 15.939 -4.108 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.006 15.088 -2.007 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.933 14.439 -2.683 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.341 13.708 -4.253 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.217 13.211 -2.786 1.00 0.00 H new ATOM 434 N CYS 1 34 7.190 12.284 -4.555 1.00 0.00 N ATOM 435 CA CYS 1 34 7.645 10.970 -4.150 1.00 0.00 C ATOM 436 C CYS 1 34 7.064 10.611 -2.791 1.00 0.00 C ATOM 437 O CYS 1 34 7.762 10.097 -1.918 1.00 0.00 O ATOM 438 CB CYS 1 34 9.171 10.927 -4.106 1.00 0.00 C ATOM 439 SG CYS 1 34 9.970 11.332 -5.693 1.00 0.00 S ATOM 0 H CYS 1 34 6.619 12.291 -5.400 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.300 10.239 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.522 11.625 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.487 9.931 -3.795 1.00 0.00 H new ATOM 444 N LYS 1 35 5.778 10.889 -2.619 1.00 0.00 N ATOM 445 CA LYS 1 35 5.099 10.595 -1.363 1.00 0.00 C ATOM 446 C LYS 1 35 3.583 10.625 -1.553 1.00 0.00 C ATOM 447 O LYS 1 35 3.069 11.321 -2.431 1.00 0.00 O ATOM 448 CB LYS 1 35 5.542 11.596 -0.282 1.00 0.00 C ATOM 449 CG LYS 1 35 4.402 12.211 0.520 1.00 0.00 C ATOM 450 CD LYS 1 35 4.913 12.902 1.774 1.00 0.00 C ATOM 451 CE LYS 1 35 3.785 13.577 2.537 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.266 14.751 3.316 1.00 0.00 N ATOM 0 H LYS 1 35 5.185 11.316 -3.331 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.373 9.592 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.221 11.091 0.405 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.107 12.397 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 3.866 12.930 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.689 11.434 0.796 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 5.404 12.173 2.418 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.664 13.643 1.502 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 3.014 13.897 1.836 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.323 12.858 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.467 15.183 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 4.984 14.442 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 4.684 15.449 2.669 1.00 0.00 H new ATOM 466 N LEU 1 36 2.873 9.865 -0.723 1.00 0.00 N ATOM 467 CA LEU 1 36 1.416 9.802 -0.796 1.00 0.00 C ATOM 468 C LEU 1 36 0.812 11.202 -0.890 1.00 0.00 C ATOM 469 O LEU 1 36 1.149 12.088 -0.104 1.00 0.00 O ATOM 470 CB LEU 1 36 0.856 9.071 0.427 1.00 0.00 C ATOM 471 CG LEU 1 36 1.175 7.573 0.498 1.00 0.00 C ATOM 472 CD1 LEU 1 36 2.395 7.328 1.371 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.023 6.801 1.027 1.00 0.00 C ATOM 0 H LEU 1 36 3.283 9.284 0.008 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.145 9.251 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.243 9.551 1.326 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.227 9.196 0.440 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.397 7.219 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 2.606 6.259 1.410 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 3.254 7.853 0.952 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 2.201 7.696 2.379 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 0.219 5.739 1.071 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -0.274 7.158 2.026 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.875 6.951 0.363 1.00 0.00 H new ATOM 485 N THR 1 37 -0.078 11.395 -1.858 1.00 0.00 N ATOM 486 CA THR 1 37 -0.726 12.687 -2.060 1.00 0.00 C ATOM 487 C THR 1 37 -1.558 13.074 -0.840 1.00 0.00 C ATOM 488 O THR 1 37 -1.928 12.219 -0.036 1.00 0.00 O ATOM 489 CB THR 1 37 -1.615 12.641 -3.304 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.417 11.474 -3.304 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.833 12.661 -4.600 1.00 0.00 C ATOM 0 H THR 1 37 -0.368 10.672 -2.516 1.00 0.00 H new ATOM 0 HA THR 1 37 0.050 13.440 -2.201 1.00 0.00 H new ATOM 0 HB THR 1 37 -2.228 13.541 -3.255 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.899 11.408 -4.155 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -1.524 12.626 -5.442 1.00 0.00 H new ATOM 0 HG22 THR 1 37 -0.241 13.575 -4.654 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.170 11.796 -4.638 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.872 14.374 -0.688 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.670 14.867 0.437 1.00 0.00 C ATOM 501 C PRO 1 38 -3.952 14.062 0.622 1.00 0.00 C ATOM 502 O PRO 1 38 -4.819 14.046 -0.252 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.995 16.321 0.055 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.576 16.469 -1.372 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.486 15.462 -1.593 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.134 14.782 1.382 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -4.058 16.528 0.174 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.460 17.023 0.695 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -3.415 16.289 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -2.219 17.480 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.443 15.131 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.504 15.866 -1.347 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.060 13.387 1.761 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.233 12.579 2.036 1.00 0.00 C ATOM 515 C GLY 1 39 -5.056 11.134 1.605 1.00 0.00 C ATOM 516 O GLY 1 39 -6.013 10.360 1.598 1.00 0.00 O ATOM 0 H GLY 1 39 -3.356 13.385 2.499 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.452 12.613 3.103 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.094 13.006 1.521 1.00 0.00 H new ATOM 520 N SER 1 40 -3.827 10.770 1.244 1.00 0.00 N ATOM 521 CA SER 1 40 -3.525 9.411 0.810 1.00 0.00 C ATOM 522 C SER 1 40 -2.700 8.680 1.864 1.00 0.00 C ATOM 523 O SER 1 40 -1.586 9.091 2.188 1.00 0.00 O ATOM 524 CB SER 1 40 -2.771 9.438 -0.519 1.00 0.00 C ATOM 525 OG SER 1 40 -3.503 10.145 -1.505 1.00 0.00 O ATOM 0 H SER 1 40 -3.024 11.400 1.244 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.465 8.876 0.675 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.797 9.907 -0.379 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.588 8.418 -0.858 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.904 10.759 -1.979 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.258 7.602 2.407 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.572 6.826 3.435 1.00 0.00 C ATOM 533 C GLN 1 41 -2.211 5.424 2.946 1.00 0.00 C ATOM 534 O GLN 1 41 -1.910 4.544 3.752 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.444 6.730 4.690 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.053 7.715 5.779 1.00 0.00 C ATOM 537 CD GLN 1 41 -1.592 7.602 6.170 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -0.852 8.585 6.140 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.170 6.399 6.539 1.00 0.00 N ATOM 0 H GLN 1 41 -4.180 7.247 2.153 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.643 7.345 3.672 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.484 6.901 4.413 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.382 5.717 5.088 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.256 8.730 5.436 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -3.675 7.545 6.658 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.819 5.612 6.549 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.197 6.262 6.813 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.239 5.210 1.632 1.00 0.00 N ATOM 549 CA CYS 1 42 -1.910 3.900 1.080 1.00 0.00 C ATOM 550 C CYS 1 42 -1.314 4.000 -0.323 1.00 0.00 C ATOM 551 O CYS 1 42 -0.215 3.505 -0.573 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.148 2.998 1.081 1.00 0.00 C ATOM 553 SG CYS 1 42 -4.531 3.588 0.048 1.00 0.00 S ATOM 0 H CYS 1 42 -2.483 5.917 0.939 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.147 3.456 1.720 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -2.856 2.005 0.739 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -3.500 2.891 2.107 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.043 4.632 -1.235 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.600 4.795 -2.620 1.00 0.00 C ATOM 560 C ASN 1 43 -1.070 3.485 -3.228 1.00 0.00 C ATOM 561 O ASN 1 43 -0.442 3.506 -4.285 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.539 5.900 -2.706 1.00 0.00 C ATOM 563 CG ASN 1 43 0.882 5.386 -2.552 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.364 5.181 -1.438 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.560 5.178 -3.675 1.00 0.00 N ATOM 0 H ASN 1 43 -2.955 5.045 -1.040 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.471 5.083 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.632 6.408 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.735 6.642 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.520 4.835 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.121 5.361 -4.577 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.338 2.356 -2.560 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.903 1.032 -3.020 1.00 0.00 C ATOM 574 C TYR 1 44 -0.935 0.038 -1.861 1.00 0.00 C ATOM 575 O TYR 1 44 -0.980 0.434 -0.697 1.00 0.00 O ATOM 576 CB TYR 1 44 0.516 1.069 -3.617 1.00 0.00 C ATOM 577 CG TYR 1 44 1.624 1.051 -2.583 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.044 -0.143 -2.010 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.246 2.225 -2.181 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.053 -0.165 -1.066 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.257 2.212 -1.238 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.656 1.014 -0.684 1.00 0.00 C ATOM 583 OH TYR 1 44 4.662 0.996 0.256 1.00 0.00 O ATOM 0 H TYR 1 44 -1.863 2.335 -1.685 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.593 0.717 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.641 0.215 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.618 1.966 -4.228 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.574 -1.069 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.935 3.165 -2.612 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.368 -1.102 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 3.731 3.134 -0.937 1.00 0.00 H new ATOM 0 HH TYR 1 44 4.980 1.910 0.412 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.890 -1.250 -2.183 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.893 -2.269 -1.150 1.00 0.00 C ATOM 595 C GLY 1 45 -2.271 -2.834 -0.866 1.00 0.00 C ATOM 596 O GLY 1 45 -3.285 -2.271 -1.279 1.00 0.00 O ATOM 0 H GLY 1 45 -0.852 -1.606 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.230 -3.081 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.485 -1.846 -0.232 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.296 -3.956 -0.156 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.543 -4.626 0.198 1.00 0.00 C ATOM 602 C GLU 1 46 -4.417 -3.748 1.085 1.00 0.00 C ATOM 603 O GLU 1 46 -5.624 -3.635 0.872 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.233 -5.928 0.938 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.237 -7.161 0.051 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.508 -7.290 -0.767 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.549 -6.744 -1.890 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.461 -7.936 -0.284 1.00 0.00 O ATOM 0 H GLU 1 46 -1.458 -4.425 0.189 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.085 -4.832 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.257 -5.839 1.414 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.965 -6.064 1.734 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.380 -7.123 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.117 -8.050 0.671 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.800 -3.150 2.094 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.516 -2.302 3.037 1.00 0.00 C ATOM 617 C CYS 1 47 -5.045 -1.030 2.377 1.00 0.00 C ATOM 618 O CYS 1 47 -5.850 -0.314 2.968 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.606 -1.948 4.209 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.572 -3.205 5.524 1.00 0.00 S ATOM 0 H CYS 1 47 -2.801 -3.237 2.281 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.378 -2.863 3.399 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.592 -1.799 3.837 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.932 -0.999 4.635 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.595 -0.738 1.161 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.045 0.461 0.471 1.00 0.00 C ATOM 627 C CYS 1 48 -6.521 0.370 0.104 1.00 0.00 C ATOM 628 O CYS 1 48 -7.002 -0.668 -0.350 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.223 0.698 -0.796 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.494 2.335 -1.548 1.00 0.00 S ATOM 0 H CYS 1 48 -3.928 -1.308 0.640 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.905 1.298 1.155 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.165 0.588 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.467 -0.073 -1.527 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.229 1.476 0.305 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.652 1.553 0.002 1.00 0.00 C ATOM 637 C ASP 1 49 -9.134 2.997 0.089 1.00 0.00 C ATOM 638 O ASP 1 49 -9.180 3.581 1.172 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.451 0.674 0.966 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.627 -0.003 0.291 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.507 -0.352 -0.902 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.670 -0.184 0.955 1.00 0.00 O ATOM 0 H ASP 1 49 -6.835 2.339 0.680 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.809 1.190 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.794 -0.084 1.391 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.812 1.283 1.794 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.481 3.573 -1.057 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.949 4.953 -1.106 1.00 0.00 C ATOM 649 C GLN 1 50 -8.863 5.908 -0.619 1.00 0.00 C ATOM 650 O GLN 1 50 -9.149 6.907 0.040 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.211 5.118 -0.255 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.309 4.124 -0.596 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.478 4.196 0.366 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.376 3.776 1.519 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.600 4.730 -0.105 1.00 0.00 N ATOM 0 H GLN 1 50 -9.447 3.106 -1.963 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.187 5.196 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -10.947 5.008 0.797 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.596 6.130 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.664 4.314 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.897 3.115 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.640 5.066 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.421 4.804 0.496 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.615 5.589 -0.948 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.478 6.412 -0.547 1.00 0.00 C ATOM 666 C CYS 1 51 -6.310 6.413 0.971 1.00 0.00 C ATOM 667 O CYS 1 51 -5.823 7.383 1.550 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.648 7.846 -1.053 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.943 7.978 -2.847 1.00 0.00 S ATOM 0 H CYS 1 51 -7.365 4.764 -1.493 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.581 5.982 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.481 8.309 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.754 8.416 -0.801 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.715 5.319 1.610 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.606 5.197 3.060 1.00 0.00 C ATOM 676 C ARG 1 52 -6.442 3.737 3.468 1.00 0.00 C ATOM 677 O ARG 1 52 -7.055 2.847 2.879 1.00 0.00 O ATOM 678 CB ARG 1 52 -7.841 5.794 3.738 1.00 0.00 C ATOM 679 CG ARG 1 52 -7.677 7.255 4.123 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.104 7.401 5.523 1.00 0.00 C ATOM 681 NE ARG 1 52 -6.275 8.597 5.654 1.00 0.00 N ATOM 682 CZ ARG 1 52 -5.927 9.135 6.821 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -6.334 8.586 7.959 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -5.171 10.223 6.850 1.00 0.00 N ATOM 0 H ARG 1 52 -7.121 4.506 1.147 1.00 0.00 H new ATOM 0 HA ARG 1 52 -5.723 5.749 3.383 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.695 5.697 3.068 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.070 5.215 4.632 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.021 7.750 3.407 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -8.643 7.757 4.070 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -7.919 7.444 6.245 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -6.510 6.520 5.765 1.00 0.00 H new ATOM 0 HE ARG 1 52 -5.943 9.046 4.801 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -6.916 7.748 7.942 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -6.065 9.002 8.851 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -4.856 10.648 5.978 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -4.904 10.635 7.744 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.610 3.494 4.478 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.374 2.136 4.953 1.00 0.00 C ATOM 700 C PHE 1 53 -6.654 1.516 5.486 1.00 0.00 C ATOM 701 O PHE 1 53 -7.439 2.173 6.169 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.301 2.113 6.046 1.00 0.00 C ATOM 703 CG PHE 1 53 -2.899 2.247 5.522 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.545 1.697 4.300 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -1.936 2.922 6.253 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.259 1.819 3.817 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -0.645 3.047 5.774 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.306 2.495 4.554 1.00 0.00 C ATOM 0 H PHE 1 53 -5.092 4.215 4.979 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.024 1.551 4.103 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.495 2.923 6.750 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.383 1.180 6.603 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.285 1.167 3.719 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.196 3.355 7.207 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -0.997 1.386 2.863 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 0.098 3.576 6.353 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.702 2.592 4.177 1.00 0.00 H new ATOM 718 N LYS 1 54 -6.851 0.244 5.177 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.033 -0.471 5.634 1.00 0.00 C ATOM 720 C LYS 1 54 -8.038 -0.552 7.154 1.00 0.00 C ATOM 721 O LYS 1 54 -7.270 -1.309 7.744 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.074 -1.875 5.027 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.987 -1.987 3.817 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.391 -2.892 2.751 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.028 -2.645 1.392 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.198 -3.908 0.621 1.00 0.00 N ATOM 0 H LYS 1 54 -6.210 -0.314 4.613 1.00 0.00 H new ATOM 0 HA LYS 1 54 -8.920 0.072 5.308 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.064 -2.167 4.738 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.405 -2.582 5.788 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.957 -2.377 4.126 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.161 -0.996 3.398 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.316 -2.722 2.687 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.532 -3.934 3.036 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.999 -2.169 1.527 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.410 -1.952 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.635 -3.697 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.269 -4.350 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.809 -4.560 1.153 1.00 0.00 H new ATOM 740 N LYS 1 55 -8.902 0.242 7.783 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.008 0.277 9.242 1.00 0.00 C ATOM 742 C LYS 1 55 -8.742 -1.094 9.851 1.00 0.00 C ATOM 743 O LYS 1 55 -9.338 -2.094 9.440 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.395 0.771 9.659 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.570 0.891 11.164 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.316 2.311 11.643 1.00 0.00 C ATOM 747 CE LYS 1 55 -9.774 2.331 13.063 1.00 0.00 C ATOM 748 NZ LYS 1 55 -10.542 1.427 13.964 1.00 0.00 N ATOM 0 H LYS 1 55 -9.543 0.874 7.303 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.251 0.967 9.615 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -10.578 1.743 9.201 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.148 0.087 9.267 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.580 0.588 11.439 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -9.885 0.208 11.667 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.607 2.800 10.975 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.243 2.883 11.598 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -8.726 2.031 13.056 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.812 3.349 13.452 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -10.344 1.674 14.955 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -11.560 1.534 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -10.259 0.441 13.790 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.834 -1.136 10.825 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.485 -2.387 11.482 1.00 0.00 C ATOM 764 C ALA 1 56 -8.721 -3.236 11.705 1.00 0.00 C ATOM 765 O ALA 1 56 -9.750 -2.746 12.169 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.786 -2.138 12.803 1.00 0.00 C ATOM 0 H ALA 1 56 -7.331 -0.320 11.173 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.799 -2.923 10.826 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.538 -3.092 13.269 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.872 -1.571 12.630 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.444 -1.572 13.462 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.624 -4.498 11.344 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.757 -5.387 11.484 1.00 0.00 C ATOM 774 C GLY 1 57 -10.261 -5.848 10.135 1.00 0.00 C ATOM 775 O GLY 1 57 -11.043 -6.794 10.045 1.00 0.00 O ATOM 0 H GLY 1 57 -7.784 -4.927 10.956 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.472 -6.252 12.083 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.558 -4.878 12.020 1.00 0.00 H new ATOM 779 N THR 1 58 -9.794 -5.184 9.078 1.00 0.00 N ATOM 780 CA THR 1 58 -10.178 -5.544 7.724 1.00 0.00 C ATOM 781 C THR 1 58 -9.377 -6.758 7.270 1.00 0.00 C ATOM 782 O THR 1 58 -8.146 -6.738 7.288 1.00 0.00 O ATOM 783 CB THR 1 58 -9.933 -4.379 6.768 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.658 -3.231 7.176 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.333 -4.696 5.346 1.00 0.00 C ATOM 0 H THR 1 58 -9.150 -4.395 9.139 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.241 -5.783 7.715 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.860 -4.192 6.799 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.211 -2.818 7.944 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.136 -3.832 4.711 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.756 -5.548 4.987 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.395 -4.937 5.312 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.071 -7.818 6.880 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.401 -9.035 6.445 1.00 0.00 C ATOM 795 C VAL 1 59 -8.960 -8.947 4.986 1.00 0.00 C ATOM 796 O VAL 1 59 -9.786 -8.806 4.085 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.303 -10.272 6.625 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.557 -10.152 5.773 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.540 -11.546 6.289 1.00 0.00 C ATOM 0 H VAL 1 59 -11.090 -7.860 6.856 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.518 -9.141 7.075 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.608 -10.324 7.670 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.179 -11.035 5.915 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.115 -9.264 6.070 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.277 -10.071 4.723 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.194 -12.408 6.422 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.201 -11.505 5.254 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.678 -11.639 6.950 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.651 -9.038 4.761 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.104 -8.973 3.407 1.00 0.00 C ATOM 811 C CYS 1 60 -6.736 -10.362 2.883 1.00 0.00 C ATOM 812 O CYS 1 60 -6.699 -10.587 1.673 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.866 -8.079 3.365 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.081 -6.459 4.164 1.00 0.00 S ATOM 0 H CYS 1 60 -6.952 -9.156 5.495 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.881 -8.551 2.769 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.039 -8.601 3.847 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.581 -7.922 2.325 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.448 -11.284 3.796 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.062 -12.644 3.418 1.00 0.00 C ATOM 821 C ARG 1 61 -6.566 -13.669 4.432 1.00 0.00 C ATOM 822 O ARG 1 61 -7.242 -13.325 5.401 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.536 -12.747 3.289 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.075 -13.369 1.978 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.763 -14.139 2.127 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.897 -13.601 3.180 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.400 -12.366 3.180 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.641 -11.543 2.168 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.646 -11.958 4.192 1.00 0.00 N ATOM 0 H ARG 1 61 -6.474 -11.117 4.802 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.522 -12.864 2.455 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.104 -11.750 3.380 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.149 -13.339 4.118 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.848 -14.042 1.607 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.950 -12.585 1.231 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.985 -15.184 2.346 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.227 -14.119 1.178 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.660 -14.211 3.962 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.211 -11.855 1.382 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.256 -10.598 2.176 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.448 -12.590 4.968 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.264 -11.012 4.194 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.225 -14.932 4.198 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.627 -16.015 5.084 1.00 0.00 C ATOM 845 C ILE 1 62 -6.081 -17.346 4.583 1.00 0.00 C ATOM 846 O ILE 1 62 -6.163 -17.659 3.396 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.159 -16.105 5.222 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.556 -17.303 6.090 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.815 -16.196 3.853 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.028 -17.224 7.506 1.00 0.00 C ATOM 0 H ILE 1 62 -5.668 -15.230 3.397 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.210 -15.797 6.067 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.511 -15.197 5.712 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.643 -17.376 6.120 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.188 -18.217 5.624 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.897 -16.259 3.971 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.565 -15.310 3.270 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.454 -17.085 3.335 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.347 -18.105 8.063 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.939 -17.182 7.486 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.417 -16.328 7.990 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.519 -18.119 5.500 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.948 -19.417 5.162 1.00 0.00 C ATOM 864 C ALA 1 63 -6.001 -20.342 4.564 1.00 0.00 C ATOM 865 O ALA 1 63 -6.046 -20.543 3.351 1.00 0.00 O ATOM 866 CB ALA 1 63 -4.302 -20.050 6.386 1.00 0.00 C ATOM 0 H ALA 1 63 -5.445 -17.871 6.487 1.00 0.00 H new ATOM 0 HA ALA 1 63 -4.177 -19.262 4.408 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.881 -21.018 6.115 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.509 -19.400 6.756 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -5.053 -20.186 7.164 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.848 -20.902 5.419 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.901 -21.804 4.962 1.00 0.00 C ATOM 874 C ARG 1 64 -8.816 -22.216 6.111 1.00 0.00 C ATOM 875 O ARG 1 64 -8.802 -23.367 6.548 1.00 0.00 O ATOM 876 CB ARG 1 64 -7.288 -23.046 4.311 1.00 0.00 C ATOM 877 CG ARG 1 64 -8.119 -23.606 3.168 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.947 -22.786 1.900 1.00 0.00 C ATOM 879 NE ARG 1 64 -7.945 -23.623 0.703 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.891 -24.326 0.292 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -5.756 -24.296 0.979 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -6.974 -25.062 -0.808 1.00 0.00 N ATOM 0 H ARG 1 64 -6.828 -20.749 6.427 1.00 0.00 H new ATOM 0 HA ARG 1 64 -8.501 -21.271 4.225 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -6.294 -22.798 3.939 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -7.161 -23.818 5.069 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -7.828 -24.639 2.977 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -9.171 -23.619 3.454 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -8.752 -22.054 1.829 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -7.012 -22.228 1.953 1.00 0.00 H new ATOM 0 HE ARG 1 64 -8.800 -23.672 0.150 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.688 -23.733 1.827 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -4.952 -24.836 0.660 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -7.845 -25.089 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -6.167 -25.601 -1.123 1.00 0.00 H new ATOM 896 N GLY 1 65 -9.614 -21.270 6.593 1.00 0.00 N ATOM 897 CA GLY 1 65 -10.526 -21.558 7.683 1.00 0.00 C ATOM 898 C GLY 1 65 -10.749 -20.362 8.585 1.00 0.00 C ATOM 899 O GLY 1 65 -11.332 -19.361 8.170 1.00 0.00 O ATOM 0 H GLY 1 65 -9.645 -20.310 6.249 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -11.483 -21.885 7.275 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -10.132 -22.385 8.273 1.00 0.00 H new ATOM 903 N ASP 1 66 -10.282 -20.468 9.823 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.429 -19.390 10.792 1.00 0.00 C ATOM 905 C ASP 1 66 -9.588 -19.664 12.034 1.00 0.00 C ATOM 906 O ASP 1 66 -10.082 -20.193 13.030 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.898 -19.219 11.182 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.615 -18.212 10.306 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.130 -17.066 10.198 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.663 -18.568 9.727 1.00 0.00 O ATOM 0 H ASP 1 66 -9.797 -21.292 10.180 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.077 -18.467 10.330 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.404 -20.182 11.113 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.960 -18.901 12.223 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.312 -19.306 11.961 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.387 -19.514 13.071 1.00 0.00 C ATOM 917 C TRP 1 67 -6.807 -18.186 13.537 1.00 0.00 C ATOM 918 O TRP 1 67 -7.112 -17.704 14.628 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.254 -20.456 12.641 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.268 -20.777 11.176 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.959 -19.937 10.143 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.621 -22.028 10.583 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -6.106 -20.589 8.947 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -6.507 -21.876 9.190 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -7.021 -23.261 11.097 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -6.780 -22.913 8.305 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -7.292 -24.292 10.219 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -7.170 -24.113 8.835 1.00 0.00 C ATOM 0 H TRP 1 67 -7.892 -18.868 11.141 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.934 -19.966 13.898 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.297 -20.001 12.896 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.328 -21.383 13.209 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.645 -18.910 10.253 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.943 -20.182 8.026 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -7.117 -23.407 12.163 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -6.688 -22.776 7.238 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -7.603 -25.251 10.605 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -7.388 -24.938 8.173 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.976 -17.603 12.689 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.344 -16.321 12.981 1.00 0.00 C ATOM 941 C ASN 1 68 -5.873 -15.244 12.047 1.00 0.00 C ATOM 942 O ASN 1 68 -5.950 -14.071 12.414 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.827 -16.415 12.825 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.266 -17.742 13.297 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.693 -17.836 14.383 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.428 -18.777 12.480 1.00 0.00 N ATOM 0 H ASN 1 68 -5.720 -17.999 11.785 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.582 -16.060 14.012 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.565 -16.268 11.777 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.358 -15.608 13.388 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.071 -19.695 12.743 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.909 -18.653 11.589 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.234 -15.654 10.835 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.756 -14.733 9.840 1.00 0.00 C ATOM 955 C ASP 1 69 -5.738 -13.670 9.474 1.00 0.00 C ATOM 956 O ASP 1 69 -4.711 -13.512 10.134 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.006 -14.044 10.365 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.252 -14.894 10.210 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.485 -15.768 11.072 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.994 -14.686 9.228 1.00 0.00 O ATOM 0 H ASP 1 69 -6.173 -16.622 10.521 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.991 -15.319 8.951 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.866 -13.800 11.418 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.146 -13.102 9.835 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.057 -12.923 8.429 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.209 -11.840 7.974 1.00 0.00 C ATOM 967 C ASP 1 70 -5.969 -10.538 8.090 1.00 0.00 C ATOM 968 O ASP 1 70 -7.023 -10.376 7.482 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.761 -12.069 6.534 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.741 -11.045 6.085 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.748 -9.925 6.635 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.938 -11.360 5.184 1.00 0.00 O ATOM 0 H ASP 1 70 -6.906 -13.051 7.878 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.315 -11.799 8.597 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.336 -13.068 6.442 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.628 -12.030 5.875 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.461 -9.627 8.907 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.146 -8.367 9.125 1.00 0.00 C ATOM 979 C TYR 1 71 -5.225 -7.163 9.051 1.00 0.00 C ATOM 980 O TYR 1 71 -4.082 -7.203 9.505 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.817 -8.395 10.487 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.050 -9.251 10.520 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.226 -8.790 9.966 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.042 -10.509 11.106 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.371 -9.547 9.988 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.183 -11.282 11.137 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.350 -10.797 10.577 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.494 -11.562 10.604 1.00 0.00 O ATOM 0 H TYR 1 71 -4.588 -9.736 9.423 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.877 -8.259 8.324 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.107 -8.763 11.227 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.081 -7.378 10.776 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.246 -7.813 9.505 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.130 -10.887 11.543 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.282 -9.168 9.548 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.165 -12.260 11.596 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.308 -12.413 11.053 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.758 -6.083 8.497 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.018 -4.838 8.379 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.788 -4.234 9.761 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.466 -4.600 10.724 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.783 -3.855 7.495 1.00 0.00 C ATOM 1003 SG CYS 1 72 -4.793 -2.430 6.943 1.00 0.00 S ATOM 0 H CYS 1 72 -6.705 -6.046 8.121 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.051 -5.044 7.920 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.157 -4.385 6.619 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.652 -3.490 8.043 1.00 0.00 H new ATOM 1008 N THR 1 73 -3.831 -3.317 9.858 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.518 -2.675 11.132 1.00 0.00 C ATOM 1010 C THR 1 73 -3.696 -1.158 11.056 1.00 0.00 C ATOM 1011 O THR 1 73 -3.291 -0.433 11.963 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.085 -3.010 11.550 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.152 -2.284 10.770 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.754 -4.481 11.413 1.00 0.00 C ATOM 0 H THR 1 73 -3.260 -3.002 9.074 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.215 -3.058 11.878 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.017 -2.734 12.602 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.242 -2.511 11.054 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.724 -4.653 11.725 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.426 -5.065 12.042 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.874 -4.786 10.373 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.307 -0.684 9.972 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.530 0.742 9.804 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.275 1.568 10.020 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.354 2.749 10.359 1.00 0.00 O ATOM 0 H GLY 1 74 -4.652 -1.263 9.207 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -4.913 0.929 8.801 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.299 1.069 10.504 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.113 0.949 9.827 1.00 0.00 N ATOM 1030 CA LYS 1 75 -0.842 1.644 10.010 1.00 0.00 C ATOM 1031 C LYS 1 75 0.113 1.399 8.841 1.00 0.00 C ATOM 1032 O LYS 1 75 1.217 1.942 8.815 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.183 1.201 11.317 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.125 1.223 12.510 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.522 1.976 13.686 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.978 1.393 15.013 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -0.433 0.026 15.238 1.00 0.00 N ATOM 0 H LYS 1 75 -2.025 -0.027 9.545 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.055 2.712 10.051 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 0.209 0.192 11.193 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.668 1.850 11.524 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.067 1.691 12.222 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -1.355 0.201 12.811 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 0.566 1.938 13.625 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.807 3.027 13.632 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.661 2.048 15.825 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.067 1.358 15.038 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -0.408 -0.174 16.258 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -1.040 -0.672 14.763 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.530 -0.032 14.850 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.308 0.584 7.875 1.00 0.00 N ATOM 1052 CA SER 1 76 0.528 0.285 6.718 1.00 0.00 C ATOM 1053 C SER 1 76 -0.291 -0.347 5.597 1.00 0.00 C ATOM 1054 O SER 1 76 -1.460 -0.685 5.781 1.00 0.00 O ATOM 1055 CB SER 1 76 1.670 -0.652 7.116 1.00 0.00 C ATOM 1056 OG SER 1 76 2.221 -0.283 8.369 1.00 0.00 O ATOM 0 H SER 1 76 -1.218 0.122 7.872 1.00 0.00 H new ATOM 0 HA SER 1 76 0.944 1.224 6.354 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.303 -1.677 7.165 1.00 0.00 H new ATOM 0 HB3 SER 1 76 2.447 -0.628 6.352 1.00 0.00 H new ATOM 0 HG SER 1 76 2.340 0.689 8.401 1.00 0.00 H new ATOM 1062 N SER 1 77 0.338 -0.506 4.436 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.322 -1.102 3.279 1.00 0.00 C ATOM 1064 C SER 1 77 -0.202 -2.625 3.299 1.00 0.00 C ATOM 1065 O SER 1 77 -0.525 -3.292 2.316 1.00 0.00 O ATOM 1066 CB SER 1 77 0.281 -0.547 1.986 1.00 0.00 C ATOM 1067 OG SER 1 77 1.384 -1.327 1.555 1.00 0.00 O ATOM 0 H SER 1 77 1.306 -0.230 4.272 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.380 -0.844 3.323 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.480 -0.528 1.206 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.601 0.483 2.144 1.00 0.00 H new ATOM 0 HG SER 1 77 1.804 -0.900 0.779 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.263 -3.170 4.420 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.425 -4.612 4.557 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.643 -5.201 5.471 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.076 -4.565 6.432 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.816 -4.939 5.103 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.920 -4.257 4.319 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.841 -3.025 4.130 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.863 -4.956 3.892 1.00 0.00 O ATOM 0 H ASP 1 78 0.534 -2.635 5.245 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.313 -5.058 3.569 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.874 -4.634 6.148 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.969 -6.018 5.077 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.059 -6.424 5.163 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.072 -7.115 5.949 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.528 -8.448 6.467 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.485 -9.433 5.731 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.324 -7.350 5.099 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.818 -6.537 5.750 1.00 0.00 S ATOM 0 H CYS 1 79 -0.707 -6.959 4.369 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.336 -6.493 6.804 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.138 -6.990 4.087 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.507 -8.422 5.027 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.093 -8.497 7.740 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.542 -9.721 8.339 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.588 -10.820 8.510 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.658 -10.591 9.071 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.035 -9.251 9.706 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.837 -8.035 10.013 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.094 -7.369 8.691 1.00 0.00 C ATOM 0 HA PRO 1 80 0.228 -10.165 7.708 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.176 -10.020 10.466 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.031 -9.024 9.676 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.773 -8.298 10.507 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.297 -7.370 10.687 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.046 -6.839 8.686 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.321 -6.639 8.451 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.262 -12.015 8.019 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.164 -13.166 8.107 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.849 -14.059 9.304 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.658 -14.900 9.697 1.00 0.00 O ATOM 1113 CB TRP 1 81 -2.121 -13.988 6.820 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.779 -14.570 6.488 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.447 -14.193 6.961 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.542 -15.647 5.585 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.429 -14.967 6.391 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 0.843 -15.869 5.543 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.377 -16.441 4.807 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.410 -16.856 4.746 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.817 -17.425 4.016 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.568 -17.624 3.989 1.00 0.00 C ATOM 0 H TRP 1 81 -0.376 -12.213 7.554 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.169 -12.767 8.247 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.843 -14.800 6.900 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.442 -13.357 5.992 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.619 -13.403 7.677 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.430 -14.884 6.570 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.446 -16.291 4.821 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.479 -17.012 4.725 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.457 -18.049 3.410 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.980 -18.398 3.359 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.678 -13.864 9.876 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.240 -14.638 11.033 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.146 -16.124 10.698 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.487 -16.977 11.517 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.200 -14.427 12.206 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.203 -12.994 12.700 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.149 -12.377 12.855 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.391 -12.458 12.952 1.00 0.00 N ATOM 0 H ASN 1 82 -0.002 -13.169 9.558 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.753 -14.288 11.315 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.209 -14.705 11.901 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -0.920 -15.090 13.025 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.456 -11.497 13.288 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.239 -13.007 12.809 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.319 -16.426 9.491 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.457 -17.808 9.047 1.00 0.00 C ATOM 1149 C HIS 1 83 1.836 -18.053 8.444 1.00 0.00 C ATOM 1150 O HIS 1 83 2.038 -19.133 7.851 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.628 -18.144 8.024 1.00 0.00 C ATOM 1152 CG HIS 1 83 -2.002 -17.760 8.475 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.965 -17.259 7.624 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.571 -17.799 9.701 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -4.065 -17.006 8.310 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.850 -17.326 9.572 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.703 -17.163 8.570 1.00 0.00 O ATOM 0 H HIS 1 83 0.607 -15.731 8.802 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.343 -18.456 9.916 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -0.405 -17.635 7.087 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -0.606 -19.214 7.819 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.846 -17.108 6.622 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.104 -18.140 10.613 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -4.983 -16.606 7.907 1.00 0.00 H new TER 1166 HIS 1 83