USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 50:sc= -0.216 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0.0459 USER MOD Set 1.3: A 60 GLN : amide:sc= -0.632 K(o=-0.5,f=-4.1!) USER MOD Set 1.4: A 82 THR OG1 : rot -135:sc= 0.302 USER MOD Set 2.1: A 46 SER OG : rot -129:sc= 0.99 USER MOD Set 2.2: A 63 GLN : amide:sc= -1.1 K(o=-0.11,f=-7!) USER MOD Set 3.1: A 25 CYS SG : rot 180:sc= 0.525 USER MOD Set 3.2: A 27 CYS SG : rot 109:sc= 0.599 USER MOD Set 4.1: A 12 ASN : amide:sc= 0.591 K(o=1.1,f=-6.4!) USER MOD Set 4.2: A 16 SER OG : rot 49:sc= 0.547 USER MOD Single : A 7 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 13 HIS : no HE2:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= -0.321 K(o=-0.32,f=-5.5) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= 0.94 (180deg=-0.673) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.3!) USER MOD Single : A 26 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.52) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 20:sc= -0.575 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -3.38! C(o=-4.4!,f=-3.4!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 0.0111 (180deg=-1.31!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -164:sc= 1.96 USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.61 (180deg=1.38) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 64 THR OG1 : rot 7:sc= -0.428 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -8.4! C(o=-10!,f=-8.4!) USER MOD Single : A 66 GLN : amide:sc= -0.618 K(o=-0.62,f=-3.7!) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.011 (180deg=-0.156) USER MOD Single : A 72 GLN : amide:sc= -0.949 K(o=-0.95,f=-1.6) USER MOD Single : A 74 SER OG : rot 180:sc= 0.334 USER MOD Single : A 75 SER OG : rot 49:sc= -2.1! USER MOD Single : A 76 GLN : amide:sc= -0.0399 K(o=-0.04,f=-6.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A 3 -3.343 -6.677 12.867 1.00 0.00 N ATOM 33 CA PRO A 3 -4.103 -6.444 11.614 1.00 0.00 C ATOM 34 C PRO A 3 -4.857 -5.099 11.699 1.00 0.00 C ATOM 35 O PRO A 3 -5.888 -4.993 12.354 1.00 0.00 O ATOM 36 CB PRO A 3 -5.076 -7.626 11.538 1.00 0.00 C ATOM 37 CG PRO A 3 -5.241 -8.142 12.983 1.00 0.00 C ATOM 38 CD PRO A 3 -4.024 -7.637 13.778 1.00 0.00 C ATOM 0 HA PRO A 3 -3.468 -6.385 10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.035 -7.315 11.124 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.687 -8.409 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.169 -7.774 13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.290 -9.231 13.001 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.331 -7.152 14.705 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.362 -8.459 14.052 1.00 0.00 H new ATOM 46 N VAL A 4 -4.349 -4.073 11.044 1.00 0.00 N ATOM 47 CA VAL A 4 -5.023 -2.731 11.085 1.00 0.00 C ATOM 48 C VAL A 4 -4.835 -1.975 9.794 1.00 0.00 C ATOM 49 O VAL A 4 -3.768 -1.417 9.587 1.00 0.00 O ATOM 50 CB VAL A 4 -4.459 -1.816 12.196 1.00 0.00 C ATOM 51 CG1 VAL A 4 -5.525 -1.651 13.260 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.177 -2.382 12.809 1.00 0.00 C ATOM 0 H VAL A 4 -3.497 -4.109 10.484 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.074 -2.955 11.270 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.198 -0.851 11.761 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.149 -1.008 14.056 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.413 -1.199 12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.781 -2.627 13.673 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.816 -1.707 13.585 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.383 -3.359 13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.417 -2.484 12.034 1.00 0.00 H new ATOM 62 N ASP A 5 -5.878 -1.871 8.963 1.00 0.00 N ATOM 63 CA ASP A 5 -5.769 -1.041 7.710 1.00 0.00 C ATOM 64 C ASP A 5 -4.496 -1.464 6.890 1.00 0.00 C ATOM 65 O ASP A 5 -3.803 -2.403 7.266 1.00 0.00 O ATOM 66 CB ASP A 5 -5.612 0.411 8.269 1.00 0.00 C ATOM 67 CG ASP A 5 -6.801 1.313 7.934 1.00 0.00 C ATOM 68 OD1 ASP A 5 -6.793 1.945 6.899 1.00 0.00 O ATOM 69 OD2 ASP A 5 -7.704 1.365 8.745 1.00 0.00 O ATOM 0 H ASP A 5 -6.781 -2.322 9.106 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.617 -1.151 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.491 0.366 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.702 0.854 7.864 1.00 0.00 H new ATOM 74 N PRO A 6 -4.132 -0.722 5.859 1.00 0.00 N ATOM 75 CA PRO A 6 -2.860 -0.976 5.188 1.00 0.00 C ATOM 76 C PRO A 6 -1.785 -0.258 6.059 1.00 0.00 C ATOM 77 O PRO A 6 -0.649 -0.692 6.139 1.00 0.00 O ATOM 78 CB PRO A 6 -3.020 -0.341 3.815 1.00 0.00 C ATOM 79 CG PRO A 6 -4.126 0.718 3.955 1.00 0.00 C ATOM 80 CD PRO A 6 -4.904 0.384 5.247 1.00 0.00 C ATOM 0 HA PRO A 6 -2.575 -2.022 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.086 0.114 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.290 -1.089 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.698 1.719 4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.789 0.701 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.961 1.246 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.928 0.082 5.029 1.00 0.00 H new ATOM 88 N ASN A 7 -2.180 0.839 6.738 1.00 0.00 N ATOM 89 CA ASN A 7 -1.288 1.600 7.617 1.00 0.00 C ATOM 90 C ASN A 7 -1.923 1.837 8.997 1.00 0.00 C ATOM 91 O ASN A 7 -2.571 0.973 9.538 1.00 0.00 O ATOM 92 CB ASN A 7 -1.021 2.955 6.973 1.00 0.00 C ATOM 93 CG ASN A 7 0.376 3.454 7.361 1.00 0.00 C ATOM 94 OD1 ASN A 7 0.943 4.254 6.681 1.00 0.00 O ATOM 95 ND2 ASN A 7 0.961 2.994 8.448 1.00 0.00 N ATOM 0 H ASN A 7 -3.126 1.216 6.688 1.00 0.00 H new ATOM 0 HA ASN A 7 -0.368 1.031 7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.099 2.873 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.775 3.674 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.892 3.322 8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.482 2.310 9.034 1.00 0.00 H new ATOM 102 N ILE A 8 -1.731 3.043 9.564 1.00 0.00 N ATOM 103 CA ILE A 8 -2.279 3.400 10.861 1.00 0.00 C ATOM 104 C ILE A 8 -1.677 2.480 11.941 1.00 0.00 C ATOM 105 O ILE A 8 -2.327 2.184 12.918 1.00 0.00 O ATOM 106 CB ILE A 8 -3.817 3.366 10.771 1.00 0.00 C ATOM 107 CG1 ILE A 8 -4.321 3.600 9.311 1.00 0.00 C ATOM 108 CG2 ILE A 8 -4.309 4.497 11.610 1.00 0.00 C ATOM 109 CD1 ILE A 8 -3.858 4.980 8.789 1.00 0.00 C ATOM 0 H ILE A 8 -1.190 3.788 9.126 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.009 4.414 11.155 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.179 2.392 11.100 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.942 2.813 8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.409 3.541 9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.398 4.522 11.584 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.974 4.360 12.638 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.915 5.436 11.222 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.219 5.124 7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.259 5.765 9.430 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.769 5.026 8.797 1.00 0.00 H new ATOM 121 N GLU A 9 -0.391 2.079 11.731 1.00 0.00 N ATOM 122 CA GLU A 9 0.409 1.201 12.669 1.00 0.00 C ATOM 123 C GLU A 9 1.436 0.306 11.882 1.00 0.00 C ATOM 124 O GLU A 9 2.627 0.480 12.069 1.00 0.00 O ATOM 125 CB GLU A 9 -0.488 0.284 13.480 1.00 0.00 C ATOM 126 CG GLU A 9 -0.688 0.860 14.900 1.00 0.00 C ATOM 127 CD GLU A 9 -1.730 0.060 15.684 1.00 0.00 C ATOM 128 OE1 GLU A 9 -2.849 -0.072 15.213 1.00 0.00 O ATOM 129 OE2 GLU A 9 -1.397 -0.400 16.760 1.00 0.00 O ATOM 0 H GLU A 9 0.135 2.353 10.901 1.00 0.00 H new ATOM 0 HA GLU A 9 0.942 1.878 13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.452 0.174 12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.045 -0.710 13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.261 0.848 15.436 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.003 1.901 14.831 1.00 0.00 H new ATOM 136 N PRO A 10 0.949 -0.655 11.048 1.00 0.00 N ATOM 137 CA PRO A 10 1.819 -1.613 10.286 1.00 0.00 C ATOM 138 C PRO A 10 2.662 -0.956 9.171 1.00 0.00 C ATOM 139 O PRO A 10 3.871 -1.096 9.182 1.00 0.00 O ATOM 140 CB PRO A 10 0.828 -2.635 9.708 1.00 0.00 C ATOM 141 CG PRO A 10 -0.547 -1.941 9.687 1.00 0.00 C ATOM 142 CD PRO A 10 -0.497 -0.859 10.777 1.00 0.00 C ATOM 0 HA PRO A 10 2.571 -2.054 10.940 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.125 -2.940 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.799 -3.537 10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.746 -1.501 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.347 -2.655 9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.970 0.063 10.440 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.026 -1.178 11.675 1.00 0.00 H new ATOM 150 N TRP A 11 2.057 -0.242 8.220 1.00 0.00 N ATOM 151 CA TRP A 11 2.878 0.425 7.117 1.00 0.00 C ATOM 152 C TRP A 11 3.965 1.374 7.719 1.00 0.00 C ATOM 153 O TRP A 11 4.948 1.655 7.065 1.00 0.00 O ATOM 154 CB TRP A 11 1.966 1.266 6.234 1.00 0.00 C ATOM 155 CG TRP A 11 1.998 0.772 4.836 1.00 0.00 C ATOM 156 CD1 TRP A 11 0.942 0.788 4.021 1.00 0.00 C ATOM 157 CD2 TRP A 11 3.092 0.188 4.083 1.00 0.00 C ATOM 158 NE1 TRP A 11 1.307 0.265 2.795 1.00 0.00 N ATOM 159 CE2 TRP A 11 2.621 -0.126 2.796 1.00 0.00 C ATOM 160 CE3 TRP A 11 4.433 -0.099 4.391 1.00 0.00 C ATOM 161 CZ2 TRP A 11 3.441 -0.700 1.855 1.00 0.00 C ATOM 162 CZ3 TRP A 11 5.258 -0.687 3.439 1.00 0.00 C ATOM 163 CH2 TRP A 11 4.758 -0.982 2.175 1.00 0.00 C ATOM 0 H TRP A 11 1.050 -0.093 8.159 1.00 0.00 H new ATOM 0 HA TRP A 11 3.360 -0.365 6.541 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.946 1.230 6.616 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.281 2.309 6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.042 1.152 4.278 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.681 0.181 1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.823 0.138 5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.060 -0.930 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.286 -0.914 3.681 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.403 -1.435 1.437 1.00 0.00 H new ATOM 174 N ASN A 12 3.737 1.865 8.957 1.00 0.00 N ATOM 175 CA ASN A 12 4.631 2.827 9.728 1.00 0.00 C ATOM 176 C ASN A 12 3.721 4.003 10.160 1.00 0.00 C ATOM 177 O ASN A 12 3.535 4.960 9.428 1.00 0.00 O ATOM 178 CB ASN A 12 5.843 3.357 8.922 1.00 0.00 C ATOM 179 CG ASN A 12 6.856 3.986 9.874 1.00 0.00 C ATOM 180 OD1 ASN A 12 6.753 5.142 10.209 1.00 0.00 O ATOM 181 ND2 ASN A 12 7.838 3.272 10.332 1.00 0.00 N ATOM 0 H ASN A 12 2.903 1.608 9.486 1.00 0.00 H new ATOM 0 HA ASN A 12 5.074 2.297 10.571 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.308 2.542 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.512 4.093 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.516 3.688 10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.932 2.295 10.054 1.00 0.00 H new ATOM 188 N HIS A 13 3.104 3.879 11.327 1.00 0.00 N ATOM 189 CA HIS A 13 2.128 4.922 11.854 1.00 0.00 C ATOM 190 C HIS A 13 2.643 6.392 11.748 1.00 0.00 C ATOM 191 O HIS A 13 1.885 7.235 11.300 1.00 0.00 O ATOM 192 CB HIS A 13 1.792 4.613 13.330 1.00 0.00 C ATOM 193 CG HIS A 13 0.355 4.924 13.629 1.00 0.00 C ATOM 194 ND1 HIS A 13 -0.343 5.934 12.990 1.00 0.00 N ATOM 195 CD2 HIS A 13 -0.529 4.350 14.500 1.00 0.00 C ATOM 196 CE1 HIS A 13 -1.588 5.927 13.479 1.00 0.00 C ATOM 197 NE2 HIS A 13 -1.759 4.984 14.403 1.00 0.00 N ATOM 0 H HIS A 13 3.237 3.083 11.951 1.00 0.00 H new ATOM 0 HA HIS A 13 1.244 4.856 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.992 3.562 13.540 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.438 5.198 13.984 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.024 6.566 12.278 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.304 3.528 15.163 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.364 6.607 13.161 1.00 0.00 H new ATOM 205 N PRO A 14 3.875 6.685 12.177 1.00 0.00 N ATOM 206 CA PRO A 14 4.410 8.075 12.128 1.00 0.00 C ATOM 207 C PRO A 14 4.775 8.530 10.692 1.00 0.00 C ATOM 208 O PRO A 14 4.505 9.662 10.327 1.00 0.00 O ATOM 209 CB PRO A 14 5.645 8.021 13.036 1.00 0.00 C ATOM 210 CG PRO A 14 6.077 6.540 13.108 1.00 0.00 C ATOM 211 CD PRO A 14 4.839 5.702 12.742 1.00 0.00 C ATOM 0 HA PRO A 14 3.671 8.806 12.455 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.448 8.639 12.635 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.413 8.405 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.897 6.342 12.418 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.433 6.289 14.107 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.085 4.926 12.017 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.427 5.200 13.617 1.00 0.00 H new ATOM 219 N GLY A 15 5.386 7.672 9.888 1.00 0.00 N ATOM 220 CA GLY A 15 5.777 8.061 8.485 1.00 0.00 C ATOM 221 C GLY A 15 7.305 8.140 8.380 1.00 0.00 C ATOM 222 O GLY A 15 7.877 9.215 8.370 1.00 0.00 O ATOM 0 H GLY A 15 5.630 6.716 10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.391 7.331 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.334 9.023 8.227 1.00 0.00 H new ATOM 226 N SER A 16 7.965 7.000 8.310 1.00 0.00 N ATOM 227 CA SER A 16 9.469 6.968 8.218 1.00 0.00 C ATOM 228 C SER A 16 9.932 7.228 6.765 1.00 0.00 C ATOM 229 O SER A 16 10.070 6.309 5.967 1.00 0.00 O ATOM 230 CB SER A 16 9.985 5.602 8.715 1.00 0.00 C ATOM 231 OG SER A 16 9.379 4.548 7.961 1.00 0.00 O ATOM 0 H SER A 16 7.521 6.082 8.313 1.00 0.00 H new ATOM 0 HA SER A 16 9.881 7.756 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.069 5.555 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.757 5.481 9.774 1.00 0.00 H new ATOM 0 HG SER A 16 9.455 4.745 7.004 1.00 0.00 H new ATOM 237 N GLN A 17 10.169 8.484 6.420 1.00 0.00 N ATOM 238 CA GLN A 17 10.624 8.835 5.026 1.00 0.00 C ATOM 239 C GLN A 17 11.927 9.684 5.082 1.00 0.00 C ATOM 240 O GLN A 17 11.889 10.889 4.872 1.00 0.00 O ATOM 241 CB GLN A 17 9.501 9.617 4.313 1.00 0.00 C ATOM 242 CG GLN A 17 8.491 8.638 3.692 1.00 0.00 C ATOM 243 CD GLN A 17 7.309 8.427 4.645 1.00 0.00 C ATOM 244 OE1 GLN A 17 7.293 7.485 5.401 1.00 0.00 O ATOM 245 NE2 GLN A 17 6.311 9.262 4.640 1.00 0.00 N ATOM 0 H GLN A 17 10.066 9.281 7.048 1.00 0.00 H new ATOM 0 HA GLN A 17 10.838 7.922 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.996 10.272 5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.926 10.254 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.134 9.027 2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.977 7.684 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.317 10.060 4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.523 9.119 5.271 1.00 0.00 H new ATOM 254 N PRO A 18 13.062 9.033 5.354 1.00 0.00 N ATOM 255 CA PRO A 18 14.384 9.720 5.424 1.00 0.00 C ATOM 256 C PRO A 18 14.977 9.918 3.995 1.00 0.00 C ATOM 257 O PRO A 18 16.080 9.470 3.701 1.00 0.00 O ATOM 258 CB PRO A 18 15.234 8.746 6.262 1.00 0.00 C ATOM 259 CG PRO A 18 14.583 7.350 6.111 1.00 0.00 C ATOM 260 CD PRO A 18 13.138 7.576 5.632 1.00 0.00 C ATOM 0 HA PRO A 18 14.337 10.719 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 18 16.266 8.732 5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.256 9.052 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 18 15.136 6.742 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.595 6.814 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.919 6.990 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 18 12.416 7.279 6.393 1.00 0.00 H new ATOM 268 N LYS A 19 14.240 10.587 3.107 1.00 0.00 N ATOM 269 CA LYS A 19 14.704 10.828 1.689 1.00 0.00 C ATOM 270 C LYS A 19 14.953 9.470 0.980 1.00 0.00 C ATOM 271 O LYS A 19 16.073 8.968 0.929 1.00 0.00 O ATOM 272 CB LYS A 19 15.976 11.705 1.701 1.00 0.00 C ATOM 273 CG LYS A 19 16.245 12.299 0.301 1.00 0.00 C ATOM 274 CD LYS A 19 17.243 11.429 -0.493 1.00 0.00 C ATOM 275 CE LYS A 19 18.577 11.298 0.267 1.00 0.00 C ATOM 276 NZ LYS A 19 18.708 9.917 0.843 1.00 0.00 N ATOM 0 H LYS A 19 13.322 10.979 3.317 1.00 0.00 H new ATOM 0 HA LYS A 19 13.933 11.360 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.861 12.510 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 19 16.831 11.109 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.308 12.377 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.640 13.310 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.817 10.440 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.419 11.872 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.410 11.500 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.625 12.039 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.028 9.982 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.786 9.438 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.401 9.374 0.289 1.00 0.00 H new ATOM 290 N THR A 20 13.906 8.871 0.441 1.00 0.00 N ATOM 291 CA THR A 20 14.044 7.543 -0.264 1.00 0.00 C ATOM 292 C THR A 20 14.713 7.760 -1.639 1.00 0.00 C ATOM 293 O THR A 20 14.051 7.981 -2.634 1.00 0.00 O ATOM 294 CB THR A 20 12.654 6.883 -0.444 1.00 0.00 C ATOM 295 OG1 THR A 20 11.922 6.940 0.777 1.00 0.00 O ATOM 296 CG2 THR A 20 12.823 5.419 -0.855 1.00 0.00 C ATOM 0 H THR A 20 12.958 9.247 0.459 1.00 0.00 H new ATOM 0 HA THR A 20 14.664 6.880 0.339 1.00 0.00 H new ATOM 0 HB THR A 20 12.111 7.423 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.045 6.522 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.842 4.961 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.371 5.366 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.377 4.886 -0.082 1.00 0.00 H new ATOM 304 N ALA A 21 16.033 7.701 -1.681 1.00 0.00 N ATOM 305 CA ALA A 21 16.792 7.908 -2.972 1.00 0.00 C ATOM 306 C ALA A 21 16.671 6.678 -3.911 1.00 0.00 C ATOM 307 O ALA A 21 16.749 6.823 -5.115 1.00 0.00 O ATOM 308 CB ALA A 21 18.270 8.175 -2.648 1.00 0.00 C ATOM 0 H ALA A 21 16.622 7.517 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 21 16.360 8.763 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.824 8.325 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.351 9.068 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.685 7.322 -2.112 1.00 0.00 H new ATOM 314 N CYS A 22 16.482 5.478 -3.374 1.00 0.00 N ATOM 315 CA CYS A 22 16.353 4.255 -4.244 1.00 0.00 C ATOM 316 C CYS A 22 14.859 3.984 -4.543 1.00 0.00 C ATOM 317 O CYS A 22 14.432 4.122 -5.674 1.00 0.00 O ATOM 318 CB CYS A 22 17.002 3.049 -3.537 1.00 0.00 C ATOM 319 SG CYS A 22 16.989 1.610 -4.640 1.00 0.00 S ATOM 0 H CYS A 22 16.413 5.300 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 22 16.868 4.419 -5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.026 3.291 -3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.461 2.820 -2.619 1.00 0.00 H new ATOM 0 HG CYS A 22 17.540 0.597 -4.039 1.00 0.00 H new ATOM 325 N ASN A 23 14.071 3.613 -3.530 1.00 0.00 N ATOM 326 CA ASN A 23 12.593 3.331 -3.706 1.00 0.00 C ATOM 327 C ASN A 23 12.376 2.101 -4.644 1.00 0.00 C ATOM 328 O ASN A 23 12.231 0.992 -4.168 1.00 0.00 O ATOM 329 CB ASN A 23 11.881 4.620 -4.223 1.00 0.00 C ATOM 330 CG ASN A 23 10.452 4.320 -4.704 1.00 0.00 C ATOM 331 OD1 ASN A 23 10.201 4.268 -5.890 1.00 0.00 O ATOM 332 ND2 ASN A 23 9.505 4.122 -3.837 1.00 0.00 N ATOM 0 H ASN A 23 14.404 3.494 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 23 12.146 3.067 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.849 5.364 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.458 5.053 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.556 3.924 -4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.710 4.165 -2.839 1.00 0.00 H new ATOM 339 N ARG A 24 12.358 2.308 -5.951 1.00 0.00 N ATOM 340 CA ARG A 24 12.149 1.195 -6.956 1.00 0.00 C ATOM 341 C ARG A 24 12.150 1.818 -8.368 1.00 0.00 C ATOM 342 O ARG A 24 12.919 1.426 -9.227 1.00 0.00 O ATOM 343 CB ARG A 24 10.796 0.488 -6.708 1.00 0.00 C ATOM 344 CG ARG A 24 10.932 -1.014 -6.988 1.00 0.00 C ATOM 345 CD ARG A 24 10.628 -1.297 -8.463 1.00 0.00 C ATOM 346 NE ARG A 24 10.738 -2.770 -8.714 1.00 0.00 N ATOM 347 CZ ARG A 24 11.797 -3.263 -9.279 1.00 0.00 C ATOM 348 NH1 ARG A 24 12.870 -3.459 -8.576 1.00 0.00 N ATOM 349 NH2 ARG A 24 11.774 -3.554 -10.543 1.00 0.00 N ATOM 0 H ARG A 24 12.483 3.228 -6.374 1.00 0.00 H new ATOM 0 HA ARG A 24 12.946 0.457 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.476 0.647 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.028 0.918 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.940 -1.349 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.247 -1.575 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.627 -0.947 -8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.325 -0.754 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 24 9.976 -3.389 -8.439 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.879 -3.226 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.705 -3.846 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.926 -3.395 -11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.604 -3.942 -10.992 1.00 0.00 H new ATOM 363 N CYS A 25 11.294 2.806 -8.579 1.00 0.00 N ATOM 364 CA CYS A 25 11.215 3.523 -9.897 1.00 0.00 C ATOM 365 C CYS A 25 11.750 4.965 -9.728 1.00 0.00 C ATOM 366 O CYS A 25 12.470 5.455 -10.577 1.00 0.00 O ATOM 367 CB CYS A 25 9.756 3.552 -10.376 1.00 0.00 C ATOM 368 SG CYS A 25 9.704 3.315 -12.170 1.00 0.00 S ATOM 0 H CYS A 25 10.638 3.147 -7.877 1.00 0.00 H new ATOM 0 HA CYS A 25 11.821 3.002 -10.638 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.183 2.769 -9.878 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.294 4.503 -10.111 1.00 0.00 H new ATOM 0 HG CYS A 25 8.469 3.338 -12.575 1.00 0.00 H new ATOM 374 N HIS A 26 11.400 5.634 -8.625 1.00 0.00 N ATOM 375 CA HIS A 26 11.874 7.041 -8.350 1.00 0.00 C ATOM 376 C HIS A 26 11.475 8.006 -9.504 1.00 0.00 C ATOM 377 O HIS A 26 12.275 8.798 -9.982 1.00 0.00 O ATOM 378 CB HIS A 26 13.403 7.022 -8.136 1.00 0.00 C ATOM 379 CG HIS A 26 13.782 8.064 -7.123 1.00 0.00 C ATOM 380 ND1 HIS A 26 13.972 9.390 -7.467 1.00 0.00 N ATOM 381 CD2 HIS A 26 14.005 7.988 -5.774 1.00 0.00 C ATOM 382 CE1 HIS A 26 14.298 10.056 -6.343 1.00 0.00 C ATOM 383 NE2 HIS A 26 14.331 9.248 -5.283 1.00 0.00 N ATOM 0 H HIS A 26 10.796 5.249 -7.899 1.00 0.00 H new ATOM 0 HA HIS A 26 11.391 7.414 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.721 6.036 -7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.915 7.214 -9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.938 7.087 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.507 11.115 -6.305 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.549 9.500 -4.319 1.00 0.00 H new ATOM 391 N CYS A 27 10.226 7.943 -9.940 1.00 0.00 N ATOM 392 CA CYS A 27 9.736 8.838 -11.052 1.00 0.00 C ATOM 393 C CYS A 27 8.880 10.003 -10.499 1.00 0.00 C ATOM 394 O CYS A 27 8.902 11.093 -11.041 1.00 0.00 O ATOM 395 CB CYS A 27 8.897 8.009 -12.036 1.00 0.00 C ATOM 396 SG CYS A 27 9.981 6.903 -12.974 1.00 0.00 S ATOM 0 H CYS A 27 9.522 7.305 -9.569 1.00 0.00 H new ATOM 0 HA CYS A 27 10.602 9.263 -11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.150 7.429 -11.494 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.357 8.669 -12.716 1.00 0.00 H new ATOM 0 HG CYS A 27 9.784 5.676 -12.592 1.00 0.00 H new ATOM 402 N LYS A 28 8.117 9.777 -9.440 1.00 0.00 N ATOM 403 CA LYS A 28 7.249 10.865 -8.852 1.00 0.00 C ATOM 404 C LYS A 28 6.862 10.512 -7.395 1.00 0.00 C ATOM 405 O LYS A 28 7.030 9.384 -6.955 1.00 0.00 O ATOM 406 CB LYS A 28 5.976 11.053 -9.712 1.00 0.00 C ATOM 407 CG LYS A 28 5.283 9.705 -9.965 1.00 0.00 C ATOM 408 CD LYS A 28 4.028 9.923 -10.825 1.00 0.00 C ATOM 409 CE LYS A 28 4.254 9.386 -12.247 1.00 0.00 C ATOM 410 NZ LYS A 28 5.050 10.376 -13.044 1.00 0.00 N ATOM 0 H LYS A 28 8.059 8.881 -8.957 1.00 0.00 H new ATOM 0 HA LYS A 28 7.811 11.799 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.288 11.731 -9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.240 11.515 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.967 9.022 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.010 9.241 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.175 9.419 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.786 10.985 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.780 8.432 -12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.296 9.201 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.200 10.008 -14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.533 11.277 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.970 10.531 -12.585 1.00 0.00 H new ATOM 424 N LYS A 29 6.349 11.475 -6.650 1.00 0.00 N ATOM 425 CA LYS A 29 5.950 11.221 -5.219 1.00 0.00 C ATOM 426 C LYS A 29 4.489 10.718 -5.156 1.00 0.00 C ATOM 427 O LYS A 29 3.553 11.498 -5.082 1.00 0.00 O ATOM 428 CB LYS A 29 6.114 12.517 -4.400 1.00 0.00 C ATOM 429 CG LYS A 29 7.607 12.786 -4.147 1.00 0.00 C ATOM 430 CD LYS A 29 8.038 14.082 -4.852 1.00 0.00 C ATOM 431 CE LYS A 29 7.914 15.268 -3.888 1.00 0.00 C ATOM 432 NZ LYS A 29 7.947 16.549 -4.660 1.00 0.00 N ATOM 0 H LYS A 29 6.190 12.429 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 29 6.595 10.452 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.669 13.356 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.585 12.428 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.793 12.866 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.202 11.949 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.067 13.992 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.417 14.251 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.984 15.195 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.728 15.247 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.863 17.352 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.846 16.619 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.156 16.568 -5.334 1.00 0.00 H new ATOM 446 N CYS A 30 4.309 9.409 -5.187 1.00 0.00 N ATOM 447 CA CYS A 30 2.932 8.790 -5.124 1.00 0.00 C ATOM 448 C CYS A 30 3.036 7.356 -4.550 1.00 0.00 C ATOM 449 O CYS A 30 4.000 6.647 -4.813 1.00 0.00 O ATOM 450 CB CYS A 30 2.298 8.767 -6.530 1.00 0.00 C ATOM 451 SG CYS A 30 3.258 7.714 -7.656 1.00 0.00 S ATOM 0 H CYS A 30 5.070 8.733 -5.254 1.00 0.00 H new ATOM 0 HA CYS A 30 2.295 9.386 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.274 8.399 -6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.248 9.781 -6.927 1.00 0.00 H new ATOM 0 HG CYS A 30 3.997 6.899 -6.964 1.00 0.00 H new ATOM 457 N CYS A 31 2.066 6.932 -3.760 1.00 0.00 N ATOM 458 CA CYS A 31 2.111 5.555 -3.153 1.00 0.00 C ATOM 459 C CYS A 31 0.812 4.772 -3.468 1.00 0.00 C ATOM 460 O CYS A 31 -0.237 5.025 -2.898 1.00 0.00 O ATOM 461 CB CYS A 31 2.301 5.688 -1.634 1.00 0.00 C ATOM 462 SG CYS A 31 4.049 5.990 -1.260 1.00 0.00 S ATOM 0 H CYS A 31 1.245 7.483 -3.510 1.00 0.00 H new ATOM 0 HA CYS A 31 2.945 5.000 -3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.691 6.506 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.964 4.779 -1.135 1.00 0.00 H new ATOM 0 HG CYS A 31 4.204 6.104 0.026 1.00 0.00 H new ATOM 468 N TYR A 32 0.898 3.811 -4.372 1.00 0.00 N ATOM 469 CA TYR A 32 -0.298 2.970 -4.753 1.00 0.00 C ATOM 470 C TYR A 32 -0.168 1.554 -4.141 1.00 0.00 C ATOM 471 O TYR A 32 0.913 1.166 -3.725 1.00 0.00 O ATOM 472 CB TYR A 32 -0.361 2.870 -6.287 1.00 0.00 C ATOM 473 CG TYR A 32 -1.795 2.714 -6.735 1.00 0.00 C ATOM 474 CD1 TYR A 32 -2.677 3.799 -6.653 1.00 0.00 C ATOM 475 CD2 TYR A 32 -2.241 1.487 -7.239 1.00 0.00 C ATOM 476 CE1 TYR A 32 -4.000 3.656 -7.076 1.00 0.00 C ATOM 477 CE2 TYR A 32 -3.568 1.346 -7.658 1.00 0.00 C ATOM 478 CZ TYR A 32 -4.444 2.430 -7.577 1.00 0.00 C ATOM 479 OH TYR A 32 -5.742 2.296 -8.001 1.00 0.00 O ATOM 0 H TYR A 32 1.757 3.571 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.209 3.432 -4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.074 3.763 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.230 2.021 -6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.334 4.746 -6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.561 0.650 -7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.680 4.493 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.915 0.399 -8.044 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.964 3.029 -8.613 1.00 0.00 H new ATOM 489 N HIS A 33 -1.270 0.785 -4.083 1.00 0.00 N ATOM 490 CA HIS A 33 -1.240 -0.622 -3.496 1.00 0.00 C ATOM 491 C HIS A 33 -0.008 -1.380 -4.014 1.00 0.00 C ATOM 492 O HIS A 33 0.630 -2.062 -3.239 1.00 0.00 O ATOM 493 CB HIS A 33 -2.562 -1.372 -3.845 1.00 0.00 C ATOM 494 CG HIS A 33 -2.445 -2.905 -3.736 1.00 0.00 C ATOM 495 ND1 HIS A 33 -1.445 -3.827 -4.032 1.00 0.00 N flip ATOM 496 CD2 HIS A 33 -3.483 -3.662 -3.242 1.00 0.00 C flip ATOM 497 CE1 HIS A 33 -1.875 -5.108 -3.719 1.00 0.00 C flip ATOM 498 NE2 HIS A 33 -3.105 -4.954 -3.244 1.00 0.00 N flip ATOM 0 H HIS A 33 -2.187 1.080 -4.420 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.165 -0.563 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.353 -1.027 -3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.863 -1.109 -4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.438 -3.284 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.327 -6.031 -3.836 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.693 -5.722 -2.920 1.00 0.00 H new ATOM 506 N CYS A 34 0.329 -1.242 -5.312 1.00 0.00 N ATOM 507 CA CYS A 34 1.549 -1.928 -5.921 1.00 0.00 C ATOM 508 C CYS A 34 2.731 -1.919 -4.926 1.00 0.00 C ATOM 509 O CYS A 34 3.465 -2.885 -4.816 1.00 0.00 O ATOM 510 CB CYS A 34 1.958 -1.194 -7.208 1.00 0.00 C ATOM 511 SG CYS A 34 0.874 -1.699 -8.567 1.00 0.00 S ATOM 0 H CYS A 34 -0.201 -0.675 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 34 1.292 -2.962 -6.149 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.894 -0.116 -7.060 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.995 -1.421 -7.454 1.00 0.00 H new ATOM 0 HG CYS A 34 1.221 -1.075 -9.653 1.00 0.00 H new ATOM 517 N GLN A 35 2.848 -0.855 -4.151 1.00 0.00 N ATOM 518 CA GLN A 35 3.881 -0.772 -3.084 1.00 0.00 C ATOM 519 C GLN A 35 3.203 -1.353 -1.830 1.00 0.00 C ATOM 520 O GLN A 35 2.429 -0.668 -1.171 1.00 0.00 O ATOM 521 CB GLN A 35 4.300 0.702 -2.814 1.00 0.00 C ATOM 522 CG GLN A 35 4.200 1.585 -4.079 1.00 0.00 C ATOM 523 CD GLN A 35 5.479 1.453 -4.914 1.00 0.00 C ATOM 524 OE1 GLN A 35 6.403 2.218 -4.752 1.00 0.00 O ATOM 525 NE2 GLN A 35 5.578 0.510 -5.807 1.00 0.00 N ATOM 0 H GLN A 35 2.253 -0.030 -4.225 1.00 0.00 H new ATOM 0 HA GLN A 35 4.786 -1.309 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.666 1.120 -2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.323 0.723 -2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.336 1.287 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.048 2.626 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.805 -0.139 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.429 0.421 -6.363 1.00 0.00 H new ATOM 534 N VAL A 36 3.419 -2.625 -1.536 1.00 0.00 N ATOM 535 CA VAL A 36 2.711 -3.249 -0.362 1.00 0.00 C ATOM 536 C VAL A 36 3.649 -4.102 0.529 1.00 0.00 C ATOM 537 O VAL A 36 4.475 -4.863 0.058 1.00 0.00 O ATOM 538 CB VAL A 36 1.471 -4.072 -0.851 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.677 -4.700 -2.230 1.00 0.00 C ATOM 540 CG2 VAL A 36 1.117 -5.191 0.131 1.00 0.00 C ATOM 0 H VAL A 36 4.044 -3.246 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 36 2.362 -2.435 0.273 1.00 0.00 H new ATOM 0 HB VAL A 36 0.657 -3.350 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.784 -5.257 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.863 -3.915 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.531 -5.376 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.252 -5.741 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.964 -5.870 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.882 -4.760 1.104 1.00 0.00 H new ATOM 550 N CYS A 37 3.456 -3.972 1.834 1.00 0.00 N ATOM 551 CA CYS A 37 4.234 -4.745 2.864 1.00 0.00 C ATOM 552 C CYS A 37 3.420 -4.700 4.181 1.00 0.00 C ATOM 553 O CYS A 37 3.296 -3.658 4.807 1.00 0.00 O ATOM 554 CB CYS A 37 5.629 -4.126 3.058 1.00 0.00 C ATOM 555 SG CYS A 37 6.890 -5.412 2.883 1.00 0.00 S ATOM 0 H CYS A 37 2.765 -3.338 2.235 1.00 0.00 H new ATOM 0 HA CYS A 37 4.382 -5.777 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.794 -3.338 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.700 -3.664 4.043 1.00 0.00 H new ATOM 0 HG CYS A 37 8.069 -4.889 3.045 1.00 0.00 H new ATOM 561 N PHE A 38 2.817 -5.810 4.562 1.00 0.00 N ATOM 562 CA PHE A 38 1.948 -5.849 5.800 1.00 0.00 C ATOM 563 C PHE A 38 1.937 -7.285 6.408 1.00 0.00 C ATOM 564 O PHE A 38 2.894 -8.016 6.245 1.00 0.00 O ATOM 565 CB PHE A 38 0.511 -5.389 5.391 1.00 0.00 C ATOM 566 CG PHE A 38 -0.130 -6.398 4.439 1.00 0.00 C ATOM 567 CD1 PHE A 38 0.255 -6.434 3.099 1.00 0.00 C ATOM 568 CD2 PHE A 38 -1.089 -7.305 4.907 1.00 0.00 C ATOM 569 CE1 PHE A 38 -0.308 -7.371 2.230 1.00 0.00 C ATOM 570 CE2 PHE A 38 -1.656 -8.238 4.038 1.00 0.00 C ATOM 571 CZ PHE A 38 -1.261 -8.271 2.699 1.00 0.00 C ATOM 0 H PHE A 38 2.889 -6.699 4.066 1.00 0.00 H new ATOM 0 HA PHE A 38 2.339 -5.181 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.108 -5.278 6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.559 -4.411 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.991 -5.734 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.391 -7.282 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.004 -7.397 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.399 -8.933 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.695 -8.996 2.026 1.00 0.00 H new ATOM 581 N ILE A 39 0.857 -7.660 7.109 1.00 0.00 N ATOM 582 CA ILE A 39 0.699 -9.024 7.760 1.00 0.00 C ATOM 583 C ILE A 39 1.318 -10.153 6.885 1.00 0.00 C ATOM 584 O ILE A 39 2.443 -10.539 7.146 1.00 0.00 O ATOM 585 CB ILE A 39 -0.818 -9.288 8.056 1.00 0.00 C ATOM 586 CG1 ILE A 39 -1.293 -8.382 9.209 1.00 0.00 C ATOM 587 CG2 ILE A 39 -1.045 -10.751 8.481 1.00 0.00 C ATOM 588 CD1 ILE A 39 -1.870 -7.077 8.655 1.00 0.00 C ATOM 0 H ILE A 39 0.055 -7.047 7.256 1.00 0.00 H new ATOM 0 HA ILE A 39 1.247 -9.029 8.702 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.377 -9.077 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.048 -8.900 9.800 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.460 -8.165 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.104 -10.911 8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.722 -11.417 7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.469 -10.962 9.382 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.202 -6.447 9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.103 -6.554 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.717 -7.300 8.006 1.00 0.00 H new ATOM 600 N LYS A 40 0.621 -10.676 5.862 1.00 0.00 N ATOM 601 CA LYS A 40 1.233 -11.784 5.006 1.00 0.00 C ATOM 602 C LYS A 40 0.281 -12.395 3.924 1.00 0.00 C ATOM 603 O LYS A 40 0.741 -13.239 3.164 1.00 0.00 O ATOM 604 CB LYS A 40 1.685 -12.959 5.927 1.00 0.00 C ATOM 605 CG LYS A 40 2.764 -13.832 5.248 1.00 0.00 C ATOM 606 CD LYS A 40 4.072 -13.037 5.018 1.00 0.00 C ATOM 607 CE LYS A 40 4.151 -12.448 3.586 1.00 0.00 C ATOM 608 NZ LYS A 40 3.709 -13.450 2.554 1.00 0.00 N ATOM 0 H LYS A 40 -0.320 -10.389 5.592 1.00 0.00 H new ATOM 0 HA LYS A 40 2.058 -11.304 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.076 -12.559 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.823 -13.576 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.971 -14.704 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.388 -14.201 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.138 -12.229 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.928 -13.690 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.525 -11.558 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.174 -12.134 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.148 -13.223 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.999 -14.404 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.674 -13.417 2.459 1.00 0.00 H new ATOM 622 N LYS A 41 -1.012 -12.069 3.848 1.00 0.00 N ATOM 623 CA LYS A 41 -1.888 -12.780 2.823 1.00 0.00 C ATOM 624 C LYS A 41 -2.681 -11.877 1.854 1.00 0.00 C ATOM 625 O LYS A 41 -2.930 -12.278 0.733 1.00 0.00 O ATOM 626 CB LYS A 41 -2.898 -13.708 3.555 1.00 0.00 C ATOM 627 CG LYS A 41 -3.709 -12.950 4.642 1.00 0.00 C ATOM 628 CD LYS A 41 -2.962 -13.044 5.990 1.00 0.00 C ATOM 629 CE LYS A 41 -3.740 -13.929 6.977 1.00 0.00 C ATOM 630 NZ LYS A 41 -3.185 -15.319 6.958 1.00 0.00 N ATOM 0 H LYS A 41 -1.481 -11.371 4.426 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.179 -13.327 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.585 -14.141 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.360 -14.536 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.837 -11.906 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.706 -13.380 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.965 -13.455 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.832 -12.047 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.672 -13.514 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.797 -13.946 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.715 -15.913 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.272 -15.714 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.182 -15.296 7.234 1.00 0.00 H new ATOM 644 N GLY A 42 -3.164 -10.742 2.292 1.00 0.00 N ATOM 645 CA GLY A 42 -4.050 -9.890 1.410 1.00 0.00 C ATOM 646 C GLY A 42 -5.484 -10.028 1.955 1.00 0.00 C ATOM 647 O GLY A 42 -6.217 -9.067 1.943 1.00 0.00 O ATOM 0 H GLY A 42 -2.989 -10.360 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.728 -8.849 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.997 -10.222 0.373 1.00 0.00 H new ATOM 651 N LEU A 43 -5.824 -11.226 2.514 1.00 0.00 N ATOM 652 CA LEU A 43 -7.154 -11.538 3.195 1.00 0.00 C ATOM 653 C LEU A 43 -8.236 -10.455 2.930 1.00 0.00 C ATOM 654 O LEU A 43 -8.619 -10.243 1.782 1.00 0.00 O ATOM 655 CB LEU A 43 -6.876 -11.792 4.741 1.00 0.00 C ATOM 656 CG LEU A 43 -6.340 -10.552 5.564 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.574 -10.985 6.789 1.00 0.00 C ATOM 658 CD2 LEU A 43 -5.439 -9.640 4.772 1.00 0.00 C ATOM 0 H LEU A 43 -5.187 -12.023 2.514 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.580 -12.443 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.801 -12.137 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.153 -12.602 4.831 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.242 -10.004 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.222 -10.105 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.226 -11.571 7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.720 -11.592 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.112 -8.814 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.569 -10.199 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.983 -9.247 3.913 1.00 0.00 H new ATOM 670 N GLY A 44 -8.733 -9.778 3.943 1.00 0.00 N ATOM 671 CA GLY A 44 -9.725 -8.731 3.744 1.00 0.00 C ATOM 672 C GLY A 44 -9.021 -7.448 3.297 1.00 0.00 C ATOM 673 O GLY A 44 -8.367 -6.807 4.093 1.00 0.00 O ATOM 0 H GLY A 44 -8.469 -9.931 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.453 -9.041 2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.275 -8.555 4.668 1.00 0.00 H new ATOM 677 N ILE A 45 -9.157 -7.115 2.021 1.00 0.00 N ATOM 678 CA ILE A 45 -8.553 -5.919 1.359 1.00 0.00 C ATOM 679 C ILE A 45 -7.014 -6.096 1.220 1.00 0.00 C ATOM 680 O ILE A 45 -6.518 -6.128 0.110 1.00 0.00 O ATOM 681 CB ILE A 45 -9.049 -4.561 2.009 1.00 0.00 C ATOM 682 CG1 ILE A 45 -8.174 -4.040 3.156 1.00 0.00 C ATOM 683 CG2 ILE A 45 -10.467 -4.715 2.565 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.847 -3.598 2.599 1.00 0.00 C ATOM 0 H ILE A 45 -9.709 -7.679 1.375 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.918 -5.842 0.335 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.999 -3.841 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.668 -3.208 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.028 -4.821 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.789 -3.772 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.147 -4.988 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.476 -5.495 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.219 -3.226 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.355 -4.443 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.005 -2.805 1.868 1.00 0.00 H new ATOM 696 N SER A 46 -6.284 -6.234 2.322 1.00 0.00 N ATOM 697 CA SER A 46 -4.774 -6.424 2.309 1.00 0.00 C ATOM 698 C SER A 46 -4.191 -6.214 3.730 1.00 0.00 C ATOM 699 O SER A 46 -3.169 -5.573 3.906 1.00 0.00 O ATOM 700 CB SER A 46 -4.068 -5.463 1.327 1.00 0.00 C ATOM 701 OG SER A 46 -3.132 -6.205 0.555 1.00 0.00 O ATOM 0 H SER A 46 -6.685 -6.222 3.260 1.00 0.00 H new ATOM 0 HA SER A 46 -4.590 -7.445 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.799 -4.984 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.561 -4.669 1.875 1.00 0.00 H new ATOM 0 HG SER A 46 -2.257 -5.764 0.589 1.00 0.00 H new ATOM 707 N TYR A 47 -4.840 -6.748 4.748 1.00 0.00 N ATOM 708 CA TYR A 47 -4.337 -6.600 6.158 1.00 0.00 C ATOM 709 C TYR A 47 -5.079 -7.562 7.144 1.00 0.00 C ATOM 710 O TYR A 47 -4.465 -8.145 8.017 1.00 0.00 O ATOM 711 CB TYR A 47 -4.515 -5.127 6.591 1.00 0.00 C ATOM 712 CG TYR A 47 -5.839 -4.930 7.288 1.00 0.00 C ATOM 713 CD1 TYR A 47 -5.937 -5.186 8.656 1.00 0.00 C ATOM 714 CD2 TYR A 47 -6.966 -4.541 6.567 1.00 0.00 C ATOM 715 CE1 TYR A 47 -7.142 -5.025 9.308 1.00 0.00 C ATOM 716 CE2 TYR A 47 -8.181 -4.394 7.218 1.00 0.00 C ATOM 717 CZ TYR A 47 -8.268 -4.627 8.598 1.00 0.00 C ATOM 718 OH TYR A 47 -9.448 -4.426 9.263 1.00 0.00 O ATOM 0 H TYR A 47 -5.703 -7.284 4.659 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.282 -6.874 6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.702 -4.838 7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.458 -4.477 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.067 -5.511 9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.893 -4.355 5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.210 -5.208 10.370 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.060 -4.100 6.663 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.186 -4.403 8.619 1.00 0.00 H new ATOM 728 N GLY A 48 -6.399 -7.675 7.030 1.00 0.00 N ATOM 729 CA GLY A 48 -7.187 -8.524 7.979 1.00 0.00 C ATOM 730 C GLY A 48 -8.625 -8.691 7.492 1.00 0.00 C ATOM 731 O GLY A 48 -9.021 -9.779 7.104 1.00 0.00 O ATOM 0 H GLY A 48 -6.955 -7.209 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.715 -9.502 8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.184 -8.069 8.969 1.00 0.00 H new ATOM 735 N ARG A 49 -9.425 -7.634 7.547 1.00 0.00 N ATOM 736 CA ARG A 49 -10.866 -7.745 7.137 1.00 0.00 C ATOM 737 C ARG A 49 -11.553 -6.362 6.989 1.00 0.00 C ATOM 738 O ARG A 49 -11.303 -5.452 7.753 1.00 0.00 O ATOM 739 CB ARG A 49 -11.530 -8.629 8.208 1.00 0.00 C ATOM 740 CG ARG A 49 -12.125 -7.838 9.391 1.00 0.00 C ATOM 741 CD ARG A 49 -11.025 -7.565 10.425 1.00 0.00 C ATOM 742 NE ARG A 49 -10.955 -6.097 10.687 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.135 -5.624 11.877 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.339 -5.396 12.302 1.00 0.00 N ATOM 745 NH2 ARG A 49 -10.109 -5.377 12.632 1.00 0.00 N ATOM 0 H ARG A 49 -9.137 -6.706 7.858 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.962 -8.189 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.321 -9.215 7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.793 -9.335 8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.549 -6.898 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.938 -8.402 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.236 -8.102 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.065 -7.928 10.058 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.762 -5.458 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.138 -5.590 11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.487 -5.023 13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.166 -5.556 12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.245 -5.004 13.571 1.00 0.00 H new ATOM 759 N LYS A 50 -12.425 -6.204 6.003 1.00 0.00 N ATOM 760 CA LYS A 50 -13.129 -4.880 5.812 1.00 0.00 C ATOM 761 C LYS A 50 -14.430 -5.011 4.965 1.00 0.00 C ATOM 762 O LYS A 50 -14.835 -4.058 4.310 1.00 0.00 O ATOM 763 CB LYS A 50 -12.145 -3.910 5.132 1.00 0.00 C ATOM 764 CG LYS A 50 -12.070 -2.604 5.925 1.00 0.00 C ATOM 765 CD LYS A 50 -12.141 -1.416 4.958 1.00 0.00 C ATOM 766 CE LYS A 50 -13.500 -0.708 5.066 1.00 0.00 C ATOM 767 NZ LYS A 50 -14.421 -1.234 4.015 1.00 0.00 N ATOM 0 H LYS A 50 -12.676 -6.928 5.330 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.435 -4.505 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.157 -4.365 5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.468 -3.708 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.890 -2.553 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.143 -2.566 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.340 -0.711 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.986 -1.763 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.929 -0.870 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.372 0.368 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.269 -0.633 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.937 -1.228 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.700 -2.207 4.253 1.00 0.00 H new ATOM 781 N LYS A 51 -15.096 -6.168 4.999 1.00 0.00 N ATOM 782 CA LYS A 51 -16.384 -6.392 4.228 1.00 0.00 C ATOM 783 C LYS A 51 -16.195 -6.104 2.712 1.00 0.00 C ATOM 784 O LYS A 51 -16.462 -5.005 2.229 1.00 0.00 O ATOM 785 CB LYS A 51 -17.505 -5.507 4.811 1.00 0.00 C ATOM 786 CG LYS A 51 -18.104 -6.172 6.060 1.00 0.00 C ATOM 787 CD LYS A 51 -19.557 -5.706 6.250 1.00 0.00 C ATOM 788 CE LYS A 51 -19.689 -4.898 7.550 1.00 0.00 C ATOM 789 NZ LYS A 51 -20.995 -5.218 8.208 1.00 0.00 N ATOM 0 H LYS A 51 -14.791 -6.977 5.540 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.666 -7.440 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.108 -4.525 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.283 -5.352 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.070 -7.257 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.512 -5.916 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.865 -5.096 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.222 -6.569 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.864 -5.134 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.630 -3.831 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.084 -4.671 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.776 -4.972 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.034 -6.234 8.427 1.00 0.00 H new ATOM 803 N ARG A 52 -15.754 -7.093 1.955 1.00 0.00 N ATOM 804 CA ARG A 52 -15.559 -6.903 0.472 1.00 0.00 C ATOM 805 C ARG A 52 -16.878 -7.252 -0.261 1.00 0.00 C ATOM 806 O ARG A 52 -16.986 -8.273 -0.927 1.00 0.00 O ATOM 807 CB ARG A 52 -14.409 -7.802 -0.030 1.00 0.00 C ATOM 808 CG ARG A 52 -13.067 -7.333 0.555 1.00 0.00 C ATOM 809 CD ARG A 52 -12.237 -8.551 0.976 1.00 0.00 C ATOM 810 NE ARG A 52 -11.343 -8.967 -0.154 1.00 0.00 N ATOM 811 CZ ARG A 52 -11.360 -10.191 -0.591 1.00 0.00 C ATOM 812 NH1 ARG A 52 -12.246 -10.552 -1.467 1.00 0.00 N ATOM 813 NH2 ARG A 52 -10.486 -11.043 -0.154 1.00 0.00 N ATOM 0 H ARG A 52 -15.521 -8.024 2.301 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.297 -5.865 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.596 -8.837 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.367 -7.776 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.522 -6.746 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.240 -6.684 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.640 -8.310 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.896 -9.374 1.254 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.717 -8.285 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.928 -9.876 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.261 -11.512 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.788 -10.752 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.496 -12.004 -0.495 1.00 0.00 H new ATOM 827 N ARG A 53 -17.888 -6.410 -0.117 1.00 0.00 N ATOM 828 CA ARG A 53 -19.216 -6.678 -0.769 1.00 0.00 C ATOM 829 C ARG A 53 -19.561 -5.614 -1.833 1.00 0.00 C ATOM 830 O ARG A 53 -20.003 -5.963 -2.913 1.00 0.00 O ATOM 831 CB ARG A 53 -20.317 -6.707 0.309 1.00 0.00 C ATOM 832 CG ARG A 53 -21.074 -8.044 0.249 1.00 0.00 C ATOM 833 CD ARG A 53 -22.255 -7.941 -0.730 1.00 0.00 C ATOM 834 NE ARG A 53 -21.767 -8.132 -2.137 1.00 0.00 N ATOM 835 CZ ARG A 53 -21.617 -9.323 -2.631 1.00 0.00 C ATOM 836 NH1 ARG A 53 -22.652 -9.973 -3.074 1.00 0.00 N ATOM 837 NH2 ARG A 53 -20.433 -9.852 -2.684 1.00 0.00 N ATOM 0 H ARG A 53 -17.845 -5.548 0.426 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.154 -7.642 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -19.875 -6.574 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -21.010 -5.880 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -20.399 -8.839 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -21.437 -8.310 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -23.005 -8.695 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -22.737 -6.969 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 53 -21.551 -7.317 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -23.578 -9.547 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -22.538 -10.909 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.626 -9.332 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.309 -10.788 -3.071 1.00 0.00 H new ATOM 851 N GLN A 54 -19.399 -4.333 -1.533 1.00 0.00 N ATOM 852 CA GLN A 54 -19.761 -3.257 -2.540 1.00 0.00 C ATOM 853 C GLN A 54 -19.093 -1.892 -2.228 1.00 0.00 C ATOM 854 O GLN A 54 -18.679 -1.202 -3.140 1.00 0.00 O ATOM 855 CB GLN A 54 -21.300 -3.074 -2.594 1.00 0.00 C ATOM 856 CG GLN A 54 -21.926 -3.170 -1.184 1.00 0.00 C ATOM 857 CD GLN A 54 -23.261 -2.424 -1.145 1.00 0.00 C ATOM 858 OE1 GLN A 54 -23.344 -1.345 -0.602 1.00 0.00 O ATOM 859 NE2 GLN A 54 -24.316 -2.952 -1.691 1.00 0.00 N ATOM 0 H GLN A 54 -19.036 -3.988 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 54 -19.385 -3.593 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -21.538 -2.106 -3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -21.737 -3.835 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.078 -4.216 -0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.244 -2.748 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -24.252 -3.861 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -25.208 -2.458 -1.661 1.00 0.00 H new ATOM 868 N ARG A 55 -19.011 -1.483 -0.968 1.00 0.00 N ATOM 869 CA ARG A 55 -18.397 -0.145 -0.620 1.00 0.00 C ATOM 870 C ARG A 55 -16.863 -0.144 -0.854 1.00 0.00 C ATOM 871 O ARG A 55 -16.089 -0.502 0.024 1.00 0.00 O ATOM 872 CB ARG A 55 -18.720 0.202 0.850 1.00 0.00 C ATOM 873 CG ARG A 55 -19.790 1.304 0.911 1.00 0.00 C ATOM 874 CD ARG A 55 -21.160 0.732 0.525 1.00 0.00 C ATOM 875 NE ARG A 55 -22.228 1.723 0.877 1.00 0.00 N ATOM 876 CZ ARG A 55 -23.442 1.325 1.100 1.00 0.00 C ATOM 877 NH1 ARG A 55 -23.776 0.914 2.284 1.00 0.00 N ATOM 878 NH2 ARG A 55 -24.310 1.342 0.135 1.00 0.00 N ATOM 0 H ARG A 55 -19.344 -2.020 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 55 -18.826 0.612 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -19.073 -0.687 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -17.816 0.534 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.833 1.724 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -19.524 2.118 0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -21.188 0.514 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -21.334 -0.209 1.047 1.00 0.00 H new ATOM 0 HE ARG A 55 -21.999 2.715 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -23.085 0.905 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -24.729 0.600 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -24.036 1.667 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -25.266 1.030 0.304 1.00 0.00 H new ATOM 892 N ARG A 56 -16.446 0.268 -2.049 1.00 0.00 N ATOM 893 CA ARG A 56 -14.977 0.338 -2.432 1.00 0.00 C ATOM 894 C ARG A 56 -14.837 0.645 -3.940 1.00 0.00 C ATOM 895 O ARG A 56 -15.744 0.391 -4.719 1.00 0.00 O ATOM 896 CB ARG A 56 -14.271 -1.002 -2.162 1.00 0.00 C ATOM 897 CG ARG A 56 -12.933 -0.746 -1.453 1.00 0.00 C ATOM 898 CD ARG A 56 -12.099 -2.034 -1.426 1.00 0.00 C ATOM 899 NE ARG A 56 -12.563 -2.921 -0.302 1.00 0.00 N ATOM 900 CZ ARG A 56 -13.778 -3.383 -0.281 1.00 0.00 C ATOM 901 NH1 ARG A 56 -14.160 -4.241 -1.178 1.00 0.00 N ATOM 902 NH2 ARG A 56 -14.607 -2.954 0.618 1.00 0.00 N ATOM 0 H ARG A 56 -17.079 0.565 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.520 1.125 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.904 -1.640 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.102 -1.531 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.384 0.042 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.112 -0.397 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.193 -2.558 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.044 -1.792 -1.298 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.918 -3.162 0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.507 -4.551 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.113 -4.604 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.304 -2.260 1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.562 -3.311 0.642 1.00 0.00 H new ATOM 916 N ARG A 57 -13.690 1.148 -4.360 1.00 0.00 N ATOM 917 CA ARG A 57 -13.470 1.427 -5.819 1.00 0.00 C ATOM 918 C ARG A 57 -12.674 0.263 -6.460 1.00 0.00 C ATOM 919 O ARG A 57 -11.803 -0.310 -5.818 1.00 0.00 O ATOM 920 CB ARG A 57 -12.721 2.759 -6.047 1.00 0.00 C ATOM 921 CG ARG A 57 -11.422 2.836 -5.218 1.00 0.00 C ATOM 922 CD ARG A 57 -11.529 3.974 -4.193 1.00 0.00 C ATOM 923 NE ARG A 57 -11.070 5.261 -4.813 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.018 6.350 -4.109 1.00 0.00 C ATOM 925 NH1 ARG A 57 -9.955 6.622 -3.437 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.032 7.157 -4.082 1.00 0.00 N ATOM 0 H ARG A 57 -12.901 1.375 -3.754 1.00 0.00 H new ATOM 0 HA ARG A 57 -14.449 1.513 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.483 2.866 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.372 3.592 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.248 1.889 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.569 3.005 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.559 4.072 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.922 3.745 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.797 5.280 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.160 5.983 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.907 7.476 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.873 6.937 -4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.989 8.012 -3.528 1.00 0.00 H new ATOM 940 N PRO A 58 -12.992 -0.055 -7.714 1.00 0.00 N ATOM 941 CA PRO A 58 -12.315 -1.148 -8.462 1.00 0.00 C ATOM 942 C PRO A 58 -10.911 -0.700 -8.962 1.00 0.00 C ATOM 943 O PRO A 58 -10.672 -0.571 -10.153 1.00 0.00 O ATOM 944 CB PRO A 58 -13.282 -1.425 -9.627 1.00 0.00 C ATOM 945 CG PRO A 58 -14.129 -0.146 -9.819 1.00 0.00 C ATOM 946 CD PRO A 58 -14.052 0.637 -8.499 1.00 0.00 C ATOM 0 HA PRO A 58 -12.124 -2.034 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.732 -1.665 -10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.919 -2.281 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.746 0.451 -10.646 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -15.162 -0.398 -10.060 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.798 1.683 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.007 0.624 -7.974 1.00 0.00 H new ATOM 954 N SER A 59 -9.985 -0.464 -8.045 1.00 0.00 N ATOM 955 CA SER A 59 -8.592 -0.023 -8.430 1.00 0.00 C ATOM 956 C SER A 59 -7.678 0.005 -7.184 1.00 0.00 C ATOM 957 O SER A 59 -6.757 -0.788 -7.072 1.00 0.00 O ATOM 958 CB SER A 59 -8.639 1.374 -9.087 1.00 0.00 C ATOM 959 OG SER A 59 -9.356 2.288 -8.250 1.00 0.00 O ATOM 0 H SER A 59 -10.137 -0.559 -7.041 1.00 0.00 H new ATOM 0 HA SER A 59 -8.184 -0.735 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.626 1.740 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.120 1.309 -10.063 1.00 0.00 H new ATOM 0 HG SER A 59 -9.379 3.171 -8.674 1.00 0.00 H new ATOM 965 N GLN A 60 -7.936 0.904 -6.248 1.00 0.00 N ATOM 966 CA GLN A 60 -7.102 0.994 -4.998 1.00 0.00 C ATOM 967 C GLN A 60 -7.881 0.364 -3.822 1.00 0.00 C ATOM 968 O GLN A 60 -8.710 1.006 -3.194 1.00 0.00 O ATOM 969 CB GLN A 60 -6.727 2.473 -4.696 1.00 0.00 C ATOM 970 CG GLN A 60 -7.978 3.387 -4.671 1.00 0.00 C ATOM 971 CD GLN A 60 -7.847 4.521 -5.698 1.00 0.00 C ATOM 972 OE1 GLN A 60 -8.026 5.668 -5.367 1.00 0.00 O ATOM 973 NE2 GLN A 60 -7.559 4.259 -6.938 1.00 0.00 N ATOM 0 H GLN A 60 -8.696 1.583 -6.301 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.172 0.444 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.215 2.530 -3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.028 2.833 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.869 2.797 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.107 3.807 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.405 3.295 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.487 5.018 -7.616 1.00 0.00 H new ATOM 982 N GLY A 61 -7.637 -0.906 -3.539 1.00 0.00 N ATOM 983 CA GLY A 61 -8.376 -1.596 -2.421 1.00 0.00 C ATOM 984 C GLY A 61 -7.455 -2.507 -1.590 1.00 0.00 C ATOM 985 O GLY A 61 -7.895 -3.545 -1.132 1.00 0.00 O ATOM 0 H GLY A 61 -6.961 -1.489 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.827 -0.847 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.190 -2.189 -2.838 1.00 0.00 H new ATOM 989 N GLY A 62 -6.207 -2.124 -1.366 1.00 0.00 N ATOM 990 CA GLY A 62 -5.283 -2.987 -0.525 1.00 0.00 C ATOM 991 C GLY A 62 -4.321 -2.101 0.266 1.00 0.00 C ATOM 992 O GLY A 62 -4.733 -1.396 1.168 1.00 0.00 O ATOM 0 H GLY A 62 -5.791 -1.264 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.868 -3.603 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.722 -3.666 -1.166 1.00 0.00 H new ATOM 996 N GLN A 63 -3.051 -2.090 -0.092 1.00 0.00 N ATOM 997 CA GLN A 63 -2.081 -1.183 0.609 1.00 0.00 C ATOM 998 C GLN A 63 -2.316 0.211 0.038 1.00 0.00 C ATOM 999 O GLN A 63 -2.697 0.327 -1.114 1.00 0.00 O ATOM 1000 CB GLN A 63 -0.633 -1.643 0.368 1.00 0.00 C ATOM 1001 CG GLN A 63 -0.086 -2.332 1.638 1.00 0.00 C ATOM 1002 CD GLN A 63 -1.008 -3.466 2.088 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -1.380 -4.301 1.306 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -1.393 -3.528 3.324 1.00 0.00 N ATOM 0 H GLN A 63 -2.650 -2.665 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.234 -1.195 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.596 -2.332 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.008 -0.788 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.911 -2.726 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.013 -1.600 2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.081 -2.823 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.008 -4.282 3.629 1.00 0.00 H new ATOM 1013 N THR A 64 -2.157 1.258 0.837 1.00 0.00 N ATOM 1014 CA THR A 64 -2.430 2.665 0.345 1.00 0.00 C ATOM 1015 C THR A 64 -3.787 2.669 -0.406 1.00 0.00 C ATOM 1016 O THR A 64 -3.854 2.942 -1.595 1.00 0.00 O ATOM 1017 CB THR A 64 -1.264 3.153 -0.556 1.00 0.00 C ATOM 1018 OG1 THR A 64 -1.213 2.421 -1.749 1.00 0.00 O ATOM 1019 CG2 THR A 64 0.064 2.990 0.177 1.00 0.00 C ATOM 0 H THR A 64 -1.850 1.198 1.808 1.00 0.00 H new ATOM 0 HA THR A 64 -2.494 3.358 1.184 1.00 0.00 H new ATOM 0 HB THR A 64 -1.437 4.204 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.995 1.833 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.877 3.335 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.048 3.579 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.217 1.939 0.424 1.00 0.00 H new ATOM 1027 N HIS A 65 -4.853 2.262 0.276 1.00 0.00 N ATOM 1028 CA HIS A 65 -6.185 2.129 -0.396 1.00 0.00 C ATOM 1029 C HIS A 65 -7.279 3.064 0.201 1.00 0.00 C ATOM 1030 O HIS A 65 -8.200 3.436 -0.505 1.00 0.00 O ATOM 1031 CB HIS A 65 -6.590 0.654 -0.303 1.00 0.00 C ATOM 1032 CG HIS A 65 -7.281 0.262 0.989 1.00 0.00 C ATOM 1033 ND1 HIS A 65 -7.041 0.572 2.303 1.00 0.00 N flip ATOM 1034 CD2 HIS A 65 -8.320 -0.653 1.011 1.00 0.00 C flip ATOM 1035 CE1 HIS A 65 -7.895 -0.148 3.119 1.00 0.00 C flip ATOM 1036 NE2 HIS A 65 -8.647 -0.868 2.293 1.00 0.00 N flip ATOM 0 H HIS A 65 -4.846 2.019 1.267 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.095 2.447 -1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.252 0.421 -1.137 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.698 0.039 -0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.784 -1.111 0.150 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.941 -0.129 4.198 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.383 -1.506 2.597 1.00 0.00 H new ATOM 1044 N GLN A 66 -7.166 3.441 1.474 1.00 0.00 N ATOM 1045 CA GLN A 66 -8.148 4.359 2.160 1.00 0.00 C ATOM 1046 C GLN A 66 -9.557 3.737 2.246 1.00 0.00 C ATOM 1047 O GLN A 66 -10.415 3.991 1.406 1.00 0.00 O ATOM 1048 CB GLN A 66 -8.195 5.690 1.415 1.00 0.00 C ATOM 1049 CG GLN A 66 -9.030 6.710 2.195 1.00 0.00 C ATOM 1050 CD GLN A 66 -9.451 7.843 1.256 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -8.632 8.629 0.828 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -10.695 7.957 0.901 1.00 0.00 N ATOM 0 H GLN A 66 -6.404 3.135 2.079 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.809 4.520 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.183 6.071 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.622 5.544 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.911 6.228 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.452 7.109 3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.389 7.300 1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.978 8.704 0.266 1.00 0.00 H new ATOM 1061 N ASP A 67 -9.796 2.931 3.260 1.00 0.00 N ATOM 1062 CA ASP A 67 -11.130 2.296 3.421 1.00 0.00 C ATOM 1063 C ASP A 67 -11.552 2.183 4.930 1.00 0.00 C ATOM 1064 O ASP A 67 -12.613 2.678 5.270 1.00 0.00 O ATOM 1065 CB ASP A 67 -11.064 0.927 2.719 1.00 0.00 C ATOM 1066 CG ASP A 67 -12.409 0.488 2.100 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -13.282 1.309 1.888 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -12.551 -0.706 1.870 1.00 0.00 O ATOM 0 H ASP A 67 -9.115 2.691 3.981 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.905 2.911 2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.307 0.965 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.741 0.174 3.438 1.00 0.00 H new ATOM 1073 N PRO A 68 -10.757 1.524 5.805 1.00 0.00 N ATOM 1074 CA PRO A 68 -11.115 1.359 7.243 1.00 0.00 C ATOM 1075 C PRO A 68 -10.519 2.459 8.174 1.00 0.00 C ATOM 1076 O PRO A 68 -10.540 2.284 9.386 1.00 0.00 O ATOM 1077 CB PRO A 68 -10.487 -0.002 7.584 1.00 0.00 C ATOM 1078 CG PRO A 68 -9.349 -0.236 6.558 1.00 0.00 C ATOM 1079 CD PRO A 68 -9.479 0.857 5.483 1.00 0.00 C ATOM 0 HA PRO A 68 -12.192 1.431 7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.097 -0.004 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.230 -0.797 7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.375 -0.184 7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.430 -1.227 6.112 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.643 1.556 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.493 0.431 4.480 1.00 0.00 H new ATOM 1087 N ILE A 69 -10.004 3.580 7.658 1.00 0.00 N ATOM 1088 CA ILE A 69 -9.429 4.646 8.570 1.00 0.00 C ATOM 1089 C ILE A 69 -10.572 5.233 9.482 1.00 0.00 C ATOM 1090 O ILE A 69 -11.731 4.885 9.291 1.00 0.00 O ATOM 1091 CB ILE A 69 -8.729 5.735 7.718 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -9.763 6.556 6.953 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -7.741 5.099 6.728 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -9.915 7.901 7.640 1.00 0.00 C ATOM 0 H ILE A 69 -9.960 3.794 6.662 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.676 4.217 9.230 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.178 6.390 8.393 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.448 6.693 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.719 6.033 6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.261 5.881 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.983 4.541 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.277 4.423 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.651 8.501 7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.247 7.749 8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.956 8.419 7.641 1.00 0.00 H new ATOM 1106 N PRO A 70 -10.238 6.072 10.474 1.00 0.00 N ATOM 1107 CA PRO A 70 -11.256 6.627 11.415 1.00 0.00 C ATOM 1108 C PRO A 70 -12.283 7.584 10.744 1.00 0.00 C ATOM 1109 O PRO A 70 -12.169 8.797 10.811 1.00 0.00 O ATOM 1110 CB PRO A 70 -10.414 7.309 12.505 1.00 0.00 C ATOM 1111 CG PRO A 70 -9.029 7.577 11.884 1.00 0.00 C ATOM 1112 CD PRO A 70 -8.859 6.558 10.743 1.00 0.00 C ATOM 0 HA PRO A 70 -11.903 5.846 11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.880 8.239 12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.328 6.671 13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.964 8.597 11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.241 7.462 12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.421 7.021 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.199 5.741 11.035 1.00 0.00 H new ATOM 1120 N LYS A 71 -13.323 6.994 10.158 1.00 0.00 N ATOM 1121 CA LYS A 71 -14.474 7.738 9.502 1.00 0.00 C ATOM 1122 C LYS A 71 -14.027 8.997 8.707 1.00 0.00 C ATOM 1123 O LYS A 71 -14.522 10.096 8.939 1.00 0.00 O ATOM 1124 CB LYS A 71 -15.506 8.123 10.591 1.00 0.00 C ATOM 1125 CG LYS A 71 -15.631 6.996 11.636 1.00 0.00 C ATOM 1126 CD LYS A 71 -16.842 7.231 12.546 1.00 0.00 C ATOM 1127 CE LYS A 71 -16.755 8.594 13.265 1.00 0.00 C ATOM 1128 NZ LYS A 71 -15.508 8.667 14.095 1.00 0.00 N ATOM 0 H LYS A 71 -13.422 5.980 10.108 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.920 7.068 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.201 9.048 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -16.476 8.311 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.730 6.035 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.723 6.948 12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.756 7.189 11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.903 6.432 13.285 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.759 9.400 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.630 8.735 13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.544 9.511 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.436 7.816 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.678 8.724 13.471 1.00 0.00 H new ATOM 1142 N GLN A 72 -13.118 8.840 7.761 1.00 0.00 N ATOM 1143 CA GLN A 72 -12.658 10.017 6.941 1.00 0.00 C ATOM 1144 C GLN A 72 -12.272 9.580 5.505 1.00 0.00 C ATOM 1145 O GLN A 72 -11.780 8.480 5.312 1.00 0.00 O ATOM 1146 CB GLN A 72 -11.448 10.698 7.627 1.00 0.00 C ATOM 1147 CG GLN A 72 -11.913 11.760 8.640 1.00 0.00 C ATOM 1148 CD GLN A 72 -12.637 12.908 7.924 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -12.018 13.712 7.265 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -13.929 13.011 8.015 1.00 0.00 N ATOM 0 H GLN A 72 -12.678 7.951 7.523 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.483 10.726 6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.843 9.947 8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.813 11.163 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.578 11.304 9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.054 12.149 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.457 12.336 8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.416 13.766 7.532 1.00 0.00 H new ATOM 1159 N PRO A 73 -12.481 10.468 4.528 1.00 0.00 N ATOM 1160 CA PRO A 73 -12.127 10.195 3.105 1.00 0.00 C ATOM 1161 C PRO A 73 -10.612 10.475 2.854 1.00 0.00 C ATOM 1162 O PRO A 73 -10.235 11.111 1.878 1.00 0.00 O ATOM 1163 CB PRO A 73 -13.020 11.183 2.333 1.00 0.00 C ATOM 1164 CG PRO A 73 -13.363 12.330 3.314 1.00 0.00 C ATOM 1165 CD PRO A 73 -13.100 11.801 4.736 1.00 0.00 C ATOM 0 HA PRO A 73 -12.285 9.159 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.503 11.567 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.926 10.691 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.750 13.208 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.404 12.635 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.436 12.465 5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.024 11.724 5.308 1.00 0.00 H new ATOM 1173 N SER A 74 -9.748 9.985 3.734 1.00 0.00 N ATOM 1174 CA SER A 74 -8.264 10.185 3.604 1.00 0.00 C ATOM 1175 C SER A 74 -7.539 9.345 4.698 1.00 0.00 C ATOM 1176 O SER A 74 -8.070 8.355 5.162 1.00 0.00 O ATOM 1177 CB SER A 74 -7.932 11.686 3.731 1.00 0.00 C ATOM 1178 OG SER A 74 -6.561 11.909 3.397 1.00 0.00 O ATOM 0 H SER A 74 -10.024 9.443 4.553 1.00 0.00 H new ATOM 0 HA SER A 74 -7.920 9.847 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.576 12.267 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.128 12.026 4.748 1.00 0.00 H new ATOM 0 HG SER A 74 -6.356 12.864 3.478 1.00 0.00 H new ATOM 1184 N SER A 75 -6.325 9.713 5.077 1.00 0.00 N ATOM 1185 CA SER A 75 -5.521 8.939 6.094 1.00 0.00 C ATOM 1186 C SER A 75 -4.153 9.649 6.350 1.00 0.00 C ATOM 1187 O SER A 75 -3.960 10.798 5.965 1.00 0.00 O ATOM 1188 CB SER A 75 -5.273 7.528 5.534 1.00 0.00 C ATOM 1189 OG SER A 75 -4.678 6.721 6.539 1.00 0.00 O ATOM 0 H SER A 75 -5.848 10.538 4.713 1.00 0.00 H new ATOM 0 HA SER A 75 -6.065 8.885 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.213 7.085 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.622 7.580 4.661 1.00 0.00 H new ATOM 0 HG SER A 75 -5.187 6.808 7.372 1.00 0.00 H new ATOM 1195 N GLN A 76 -3.202 8.965 6.983 1.00 0.00 N ATOM 1196 CA GLN A 76 -1.836 9.562 7.260 1.00 0.00 C ATOM 1197 C GLN A 76 -1.032 9.712 5.929 1.00 0.00 C ATOM 1198 O GLN A 76 -1.359 9.062 4.956 1.00 0.00 O ATOM 1199 CB GLN A 76 -1.070 8.665 8.272 1.00 0.00 C ATOM 1200 CG GLN A 76 -0.815 7.254 7.698 1.00 0.00 C ATOM 1201 CD GLN A 76 0.163 6.496 8.603 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -0.239 5.677 9.405 1.00 0.00 O ATOM 1203 NE2 GLN A 76 1.437 6.733 8.514 1.00 0.00 N ATOM 0 H GLN A 76 -3.319 8.010 7.321 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.957 10.554 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.119 9.133 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.643 8.585 9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.754 6.706 7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.408 7.329 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.782 7.419 7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.092 6.233 9.115 1.00 0.00 H new ATOM 1212 N PRO A 77 -0.002 10.567 5.916 1.00 0.00 N ATOM 1213 CA PRO A 77 0.835 10.806 4.699 1.00 0.00 C ATOM 1214 C PRO A 77 1.808 9.623 4.440 1.00 0.00 C ATOM 1215 O PRO A 77 3.023 9.746 4.539 1.00 0.00 O ATOM 1216 CB PRO A 77 1.573 12.114 5.029 1.00 0.00 C ATOM 1217 CG PRO A 77 1.577 12.237 6.569 1.00 0.00 C ATOM 1218 CD PRO A 77 0.427 11.358 7.090 1.00 0.00 C ATOM 0 HA PRO A 77 0.252 10.881 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.590 12.095 4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.072 12.968 4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.531 11.908 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.439 13.274 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.759 10.712 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.391 11.965 7.479 1.00 0.00 H new ATOM 1226 N ARG A 78 1.254 8.470 4.135 1.00 0.00 N ATOM 1227 CA ARG A 78 2.062 7.241 3.878 1.00 0.00 C ATOM 1228 C ARG A 78 1.437 6.370 2.744 1.00 0.00 C ATOM 1229 O ARG A 78 1.722 5.184 2.633 1.00 0.00 O ATOM 1230 CB ARG A 78 2.089 6.474 5.194 1.00 0.00 C ATOM 1231 CG ARG A 78 3.227 5.443 5.208 1.00 0.00 C ATOM 1232 CD ARG A 78 4.576 6.145 5.359 1.00 0.00 C ATOM 1233 NE ARG A 78 5.605 5.382 4.588 1.00 0.00 N ATOM 1234 CZ ARG A 78 6.157 4.333 5.105 1.00 0.00 C ATOM 1235 NH1 ARG A 78 7.210 4.466 5.855 1.00 0.00 N ATOM 1236 NH2 ARG A 78 5.653 3.163 4.866 1.00 0.00 N ATOM 0 H ARG A 78 0.247 8.331 4.053 1.00 0.00 H new ATOM 0 HA ARG A 78 3.066 7.500 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.215 7.171 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.135 5.969 5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.081 4.741 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.213 4.863 4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.512 7.169 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.857 6.201 6.411 1.00 0.00 H new ATOM 0 HE ARG A 78 5.872 5.689 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.596 5.393 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.651 3.643 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.827 3.075 4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.082 2.331 5.270 1.00 0.00 H new ATOM 1250 N GLY A 79 0.594 6.942 1.904 1.00 0.00 N ATOM 1251 CA GLY A 79 -0.042 6.168 0.785 1.00 0.00 C ATOM 1252 C GLY A 79 -1.450 5.689 1.176 1.00 0.00 C ATOM 1253 O GLY A 79 -2.339 5.730 0.354 1.00 0.00 O ATOM 0 H GLY A 79 0.319 7.923 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.101 6.793 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.581 5.310 0.532 1.00 0.00 H new ATOM 1257 N ASP A 80 -1.653 5.240 2.425 1.00 0.00 N ATOM 1258 CA ASP A 80 -3.010 4.754 2.921 1.00 0.00 C ATOM 1259 C ASP A 80 -4.174 5.569 2.297 1.00 0.00 C ATOM 1260 O ASP A 80 -5.064 4.968 1.751 1.00 0.00 O ATOM 1261 CB ASP A 80 -3.032 4.861 4.459 1.00 0.00 C ATOM 1262 CG ASP A 80 -4.135 3.983 5.064 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -5.280 4.101 4.657 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -3.814 3.226 5.946 1.00 0.00 O ATOM 0 H ASP A 80 -0.916 5.192 3.129 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.153 3.718 2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.064 4.560 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.190 5.899 4.751 1.00 0.00 H new ATOM 1269 N PRO A 81 -4.129 6.898 2.345 1.00 0.00 N ATOM 1270 CA PRO A 81 -5.191 7.727 1.740 1.00 0.00 C ATOM 1271 C PRO A 81 -5.100 7.705 0.205 1.00 0.00 C ATOM 1272 O PRO A 81 -4.045 7.850 -0.364 1.00 0.00 O ATOM 1273 CB PRO A 81 -4.942 9.111 2.306 1.00 0.00 C ATOM 1274 CG PRO A 81 -3.474 9.139 2.777 1.00 0.00 C ATOM 1275 CD PRO A 81 -3.039 7.693 2.968 1.00 0.00 C ATOM 0 HA PRO A 81 -6.194 7.368 1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.121 9.876 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.619 9.318 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.843 9.637 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.379 9.696 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.080 7.499 2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.922 7.449 4.024 1.00 0.00 H new ATOM 1283 N THR A 82 -6.214 7.530 -0.452 1.00 0.00 N ATOM 1284 CA THR A 82 -6.243 7.489 -1.947 1.00 0.00 C ATOM 1285 C THR A 82 -7.146 8.628 -2.485 1.00 0.00 C ATOM 1286 O THR A 82 -7.801 8.491 -3.509 1.00 0.00 O ATOM 1287 CB THR A 82 -6.756 6.103 -2.414 1.00 0.00 C ATOM 1288 OG1 THR A 82 -8.015 5.821 -1.789 1.00 0.00 O ATOM 1289 CG2 THR A 82 -5.739 5.002 -2.060 1.00 0.00 C ATOM 0 H THR A 82 -7.125 7.411 -0.009 1.00 0.00 H new ATOM 0 HA THR A 82 -5.238 7.637 -2.342 1.00 0.00 H new ATOM 0 HB THR A 82 -6.883 6.122 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.015 4.900 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.117 4.036 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.790 5.212 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.590 4.978 -0.981 1.00 0.00 H new ATOM 1297 N GLY A 83 -7.173 9.763 -1.796 1.00 0.00 N ATOM 1298 CA GLY A 83 -8.001 10.927 -2.238 1.00 0.00 C ATOM 1299 C GLY A 83 -7.076 12.111 -2.574 1.00 0.00 C ATOM 1300 O GLY A 83 -6.399 12.071 -3.582 1.00 0.00 O ATOM 0 H GLY A 83 -6.646 9.922 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.595 10.655 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.701 11.209 -1.452 1.00 0.00 H new ATOM 1304 N PRO A 84 -7.062 13.139 -1.729 1.00 0.00 N ATOM 1305 CA PRO A 84 -6.223 14.339 -1.926 1.00 0.00 C ATOM 1306 C PRO A 84 -5.040 14.212 -0.938 1.00 0.00 C ATOM 1307 O PRO A 84 -4.792 15.105 -0.129 1.00 0.00 O ATOM 1308 CB PRO A 84 -7.188 15.452 -1.461 1.00 0.00 C ATOM 1309 CG PRO A 84 -8.190 14.770 -0.469 1.00 0.00 C ATOM 1310 CD PRO A 84 -7.876 13.260 -0.502 1.00 0.00 C ATOM 0 HA PRO A 84 -5.824 14.501 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.644 16.260 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -7.715 15.890 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.072 15.169 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -9.221 14.959 -0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.328 12.938 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.782 12.656 -0.553 1.00 0.00 H new ATOM 1318 N LYS A 85 -4.394 13.052 -0.893 1.00 0.00 N ATOM 1319 CA LYS A 85 -3.369 12.836 0.146 1.00 0.00 C ATOM 1320 C LYS A 85 -2.289 11.806 -0.277 1.00 0.00 C ATOM 1321 O LYS A 85 -1.230 12.204 -0.724 1.00 0.00 O ATOM 1322 CB LYS A 85 -4.208 12.374 1.357 1.00 0.00 C ATOM 1323 CG LYS A 85 -3.365 12.108 2.594 1.00 0.00 C ATOM 1324 CD LYS A 85 -2.569 13.355 3.033 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.402 14.620 2.815 1.00 0.00 C ATOM 1326 NZ LYS A 85 -3.019 15.663 3.817 1.00 0.00 N ATOM 0 H LYS A 85 -4.545 12.270 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.778 13.727 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.953 13.135 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.751 11.467 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.011 11.785 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.674 11.290 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.295 13.268 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.640 13.420 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.245 14.999 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.463 14.387 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.589 16.519 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.190 15.302 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.011 15.894 3.709 1.00 0.00 H new ATOM 1340 N GLU A 86 -2.544 10.513 -0.099 1.00 0.00 N ATOM 1341 CA GLU A 86 -1.522 9.432 -0.446 1.00 0.00 C ATOM 1342 C GLU A 86 -0.253 9.602 0.453 1.00 0.00 C ATOM 1343 O GLU A 86 -0.421 9.884 1.639 1.00 0.00 O ATOM 1344 CB GLU A 86 -1.196 9.500 -1.964 1.00 0.00 C ATOM 1345 CG GLU A 86 -1.631 8.188 -2.645 1.00 0.00 C ATOM 1346 CD GLU A 86 -1.515 8.312 -4.167 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -2.459 8.784 -4.777 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -0.490 7.920 -4.701 1.00 0.00 O ATOM 1349 OXT GLU A 86 0.859 9.399 -0.019 1.00 0.00 O ATOM 0 H GLU A 86 -3.423 10.154 0.275 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.928 8.441 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.711 10.346 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.128 9.661 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.010 7.365 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.659 7.952 -2.370 1.00 0.00 H new