USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 772 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 97 CYS SG : rot 30:sc= 1.04 USER MOD Set 1.2: A 98 SER OG : rot 180:sc=-0.00501 USER MOD Set 1.3: A 100 CYS SG : rot -57:sc= -4.21! USER MOD Set 1.4: A 113 HIS :FLIP no HD1:sc= -2.85 F(o=-7.3!,f=-6.3) USER MOD Set 1.5: A 114 MET CE :methyl -120:sc= -0.192 (180deg=-0.42) USER MOD Set 1.6: A 118 HIS : no HD1:sc= -0.079 K(o=-6.3,f=-7) USER MOD Set 2.1: A 107 LYS NZ :NH3+ 151:sc= 0.136 (180deg=-0.42) USER MOD Set 2.2: A 111 GLN :FLIP amide:sc= -0.767 F(o=-1.3,f=-0.63) USER MOD Set 3.1: A 96 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 3.2: A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 69 CYS SG : rot -130:sc= -2.67 USER MOD Set 4.2: A 72 CYS SG : rot -37:sc= -1.3! USER MOD Set 4.3: A 85 HIS : no HD1:sc= -1.33 K(o=-17,f=-19) USER MOD Set 4.4: A 86 MET CE :methyl 161:sc= -5.27 (180deg=-2.68!) USER MOD Set 4.5: A 89 HIS : no HD1:sc= -6.76! C(o=-17!,f=-20!) USER MOD Set 5.1: A 38 CYS SG : rot -130:sc= -0.559 USER MOD Set 5.2: A 41 CYS SG : rot 180:sc= -1.37 USER MOD Set 5.3: A 54 HIS :FLIP no HD1:sc= -2.92 F(o=-7.1!,f=-4.9) USER MOD Set 6.1: A 10 CYS SG : rot 120:sc= 0.283 USER MOD Set 6.2: A 12 THR OG1 : rot 90:sc= 0.223 USER MOD Set 6.3: A 13 CYS SG : rot -40:sc= -2.18 USER MOD Set 6.4: A 26 HIS : no HD1:sc= -3.48! K(o=-5.2!,f=-5.8) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.015 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.718) USER MOD Single : A 27 ASN : amide:sc= -3.51! C(o=-3.5!,f=-6.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.0267 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.132 (180deg=-0.384) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 58 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -12:sc= 0.87 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.239 F(o=-2.3,f=-0.24) USER MOD Single : A 75 THR OG1 : rot 39:sc= 0.109 USER MOD Single : A 80 MET CE :methyl -136:sc= -1.27 (180deg=-3.4) USER MOD Single : A 88 SER OG : rot -76:sc= 1.34 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.671 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 105 MET CE :methyl -168:sc= -0.739 (180deg=-0.861) USER MOD Single : A 106 GLN : amide:sc= -0.698 K(o=-0.7,f=-1.6!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= -0.999 USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= -0.0399 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.711 10.431 10.627 1.00 0.00 N ATOM 60 CA GLY A 7 3.213 9.069 10.571 1.00 0.00 C ATOM 61 C GLY A 7 1.744 8.974 10.932 1.00 0.00 C ATOM 62 O GLY A 7 1.144 9.949 11.385 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.364 8.671 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.792 8.445 11.252 1.00 0.00 H new ATOM 66 N VAL A 8 1.161 7.796 10.730 1.00 0.00 N ATOM 67 CA VAL A 8 -0.247 7.577 11.037 1.00 0.00 C ATOM 68 C VAL A 8 -0.444 7.258 12.515 1.00 0.00 C ATOM 69 O VAL A 8 0.522 7.104 13.260 1.00 0.00 O ATOM 70 CB VAL A 8 -0.833 6.430 10.193 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.760 6.766 8.711 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.108 5.126 10.489 1.00 0.00 C ATOM 0 H VAL A 8 1.643 6.979 10.355 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.772 8.501 10.795 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.882 6.304 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.179 5.944 8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.329 7.675 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.280 6.920 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.535 4.327 9.884 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.950 5.236 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.218 4.880 11.545 1.00 0.00 H new ATOM 82 N GLU A 9 -1.703 7.159 12.930 1.00 0.00 N ATOM 83 CA GLU A 9 -2.027 6.858 14.320 1.00 0.00 C ATOM 84 C GLU A 9 -3.305 6.031 14.414 1.00 0.00 C ATOM 85 O GLU A 9 -4.260 6.255 13.669 1.00 0.00 O ATOM 86 CB GLU A 9 -2.182 8.151 15.122 1.00 0.00 C ATOM 87 CG GLU A 9 -2.582 7.925 16.571 1.00 0.00 C ATOM 88 CD GLU A 9 -2.124 9.046 17.484 1.00 0.00 C ATOM 89 OE1 GLU A 9 -2.357 10.224 17.139 1.00 0.00 O ATOM 90 OE2 GLU A 9 -1.535 8.746 18.543 1.00 0.00 O ATOM 0 H GLU A 9 -2.514 7.283 12.325 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.207 6.275 14.740 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.241 8.700 15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.931 8.779 14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.666 7.830 16.634 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.158 6.983 16.918 1.00 0.00 H new ATOM 97 N CYS A 10 -3.317 5.073 15.335 1.00 0.00 N ATOM 98 CA CYS A 10 -4.477 4.211 15.528 1.00 0.00 C ATOM 99 C CYS A 10 -5.439 4.813 16.548 1.00 0.00 C ATOM 100 O CYS A 10 -5.132 4.928 17.735 1.00 0.00 O ATOM 101 CB CYS A 10 -4.034 2.820 15.987 1.00 0.00 C ATOM 102 SG CYS A 10 -5.408 1.717 16.450 1.00 0.00 S ATOM 0 H CYS A 10 -2.536 4.874 15.960 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.996 4.123 14.574 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.459 2.351 15.188 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.365 2.927 16.841 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.393 0.662 15.690 1.00 0.00 H new ATOM 107 N PRO A 11 -6.631 5.206 16.076 1.00 0.00 N ATOM 108 CA PRO A 11 -7.663 5.802 16.930 1.00 0.00 C ATOM 109 C PRO A 11 -8.269 4.791 17.898 1.00 0.00 C ATOM 110 O PRO A 11 -9.269 5.072 18.561 1.00 0.00 O ATOM 111 CB PRO A 11 -8.717 6.283 15.930 1.00 0.00 C ATOM 112 CG PRO A 11 -8.534 5.409 14.737 1.00 0.00 C ATOM 113 CD PRO A 11 -7.065 5.098 14.673 1.00 0.00 C ATOM 0 HA PRO A 11 -7.262 6.595 17.561 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.723 6.189 16.339 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.573 7.333 15.677 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.123 4.496 14.828 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.866 5.913 13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.883 4.101 14.272 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.533 5.802 14.033 1.00 0.00 H new ATOM 121 N THR A 12 -7.658 3.613 17.976 1.00 0.00 N ATOM 122 CA THR A 12 -8.138 2.560 18.862 1.00 0.00 C ATOM 123 C THR A 12 -7.242 2.422 20.088 1.00 0.00 C ATOM 124 O THR A 12 -7.693 2.593 21.221 1.00 0.00 O ATOM 125 CB THR A 12 -8.208 1.203 18.136 1.00 0.00 C ATOM 126 OG1 THR A 12 -8.700 1.385 16.804 1.00 0.00 O ATOM 127 CG2 THR A 12 -9.108 0.234 18.887 1.00 0.00 C ATOM 0 H THR A 12 -6.829 3.364 17.436 1.00 0.00 H new ATOM 0 HA THR A 12 -9.141 2.846 19.179 1.00 0.00 H new ATOM 0 HB THR A 12 -7.202 0.784 18.097 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.948 1.550 16.197 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.142 -0.717 18.356 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.714 0.075 19.891 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.114 0.649 18.953 1.00 0.00 H new ATOM 135 N CYS A 13 -5.971 2.114 19.854 1.00 0.00 N ATOM 136 CA CYS A 13 -5.010 1.954 20.939 1.00 0.00 C ATOM 137 C CYS A 13 -3.967 3.067 20.911 1.00 0.00 C ATOM 138 O CYS A 13 -2.947 2.994 21.596 1.00 0.00 O ATOM 139 CB CYS A 13 -4.321 0.591 20.840 1.00 0.00 C ATOM 140 SG CYS A 13 -3.412 0.328 19.284 1.00 0.00 S ATOM 0 H CYS A 13 -5.582 1.970 18.922 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.552 2.013 21.883 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.629 0.484 21.675 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.072 -0.192 20.946 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.102 0.808 18.292 1.00 0.00 H new ATOM 145 N HIS A 14 -4.231 4.097 20.113 1.00 0.00 N ATOM 146 CA HIS A 14 -3.315 5.227 19.996 1.00 0.00 C ATOM 147 C HIS A 14 -1.929 4.760 19.563 1.00 0.00 C ATOM 148 O HIS A 14 -0.920 5.381 19.898 1.00 0.00 O ATOM 149 CB HIS A 14 -3.222 5.975 21.326 1.00 0.00 C ATOM 150 CG HIS A 14 -4.501 6.642 21.729 1.00 0.00 C ATOM 151 ND1 HIS A 14 -5.238 7.434 20.875 1.00 0.00 N ATOM 152 CD2 HIS A 14 -5.173 6.629 22.904 1.00 0.00 C ATOM 153 CE1 HIS A 14 -6.308 7.882 21.507 1.00 0.00 C ATOM 154 NE2 HIS A 14 -6.293 7.408 22.740 1.00 0.00 N ATOM 0 H HIS A 14 -5.070 4.173 19.538 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.706 5.902 19.235 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.925 5.275 22.107 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.436 6.727 21.256 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.883 6.104 23.802 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.066 8.526 21.087 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.998 7.591 23.454 1.00 0.00 H new ATOM 162 N LYS A 15 -1.886 3.662 18.816 1.00 0.00 N ATOM 163 CA LYS A 15 -0.624 3.111 18.336 1.00 0.00 C ATOM 164 C LYS A 15 -0.258 3.695 16.975 1.00 0.00 C ATOM 165 O LYS A 15 -0.947 3.461 15.981 1.00 0.00 O ATOM 166 CB LYS A 15 -0.713 1.586 18.240 1.00 0.00 C ATOM 167 CG LYS A 15 0.579 0.929 17.787 1.00 0.00 C ATOM 168 CD LYS A 15 0.699 -0.490 18.319 1.00 0.00 C ATOM 169 CE LYS A 15 1.015 -0.502 19.807 1.00 0.00 C ATOM 170 NZ LYS A 15 0.683 -1.811 20.434 1.00 0.00 N ATOM 0 H LYS A 15 -2.711 3.136 18.530 1.00 0.00 H new ATOM 0 HA LYS A 15 0.155 3.380 19.049 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.993 1.185 19.214 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.509 1.320 17.545 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.619 0.915 16.698 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.428 1.520 18.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.232 -1.027 18.139 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.482 -1.019 17.775 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.073 -0.286 19.955 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.455 0.291 20.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.913 -1.779 21.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.332 -2.005 20.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.236 -2.565 19.978 1.00 0.00 H new ATOM 184 N LYS A 16 0.830 4.456 16.936 1.00 0.00 N ATOM 185 CA LYS A 16 1.290 5.072 15.697 1.00 0.00 C ATOM 186 C LYS A 16 2.286 4.168 14.978 1.00 0.00 C ATOM 187 O LYS A 16 2.911 3.304 15.592 1.00 0.00 O ATOM 188 CB LYS A 16 1.934 6.430 15.987 1.00 0.00 C ATOM 189 CG LYS A 16 0.973 7.444 16.583 1.00 0.00 C ATOM 190 CD LYS A 16 1.400 8.868 16.268 1.00 0.00 C ATOM 191 CE LYS A 16 0.900 9.845 17.321 1.00 0.00 C ATOM 192 NZ LYS A 16 1.775 11.046 17.424 1.00 0.00 N ATOM 0 H LYS A 16 1.410 4.661 17.749 1.00 0.00 H new ATOM 0 HA LYS A 16 0.425 5.218 15.050 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.770 6.287 16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.346 6.832 15.062 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.030 7.269 16.193 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.923 7.308 17.663 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.487 8.919 16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.015 9.157 15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.115 10.156 17.075 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.855 9.345 18.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.400 11.687 18.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.738 10.752 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.798 11.538 16.508 1.00 0.00 H new ATOM 206 N PHE A 17 2.430 4.375 13.673 1.00 0.00 N ATOM 207 CA PHE A 17 3.351 3.579 12.870 1.00 0.00 C ATOM 208 C PHE A 17 4.150 4.466 11.919 1.00 0.00 C ATOM 209 O PHE A 17 3.979 5.686 11.899 1.00 0.00 O ATOM 210 CB PHE A 17 2.583 2.521 12.074 1.00 0.00 C ATOM 211 CG PHE A 17 1.813 1.563 12.937 1.00 0.00 C ATOM 212 CD1 PHE A 17 0.652 1.967 13.578 1.00 0.00 C ATOM 213 CD2 PHE A 17 2.250 0.260 13.109 1.00 0.00 C ATOM 214 CE1 PHE A 17 -0.059 1.088 14.373 1.00 0.00 C ATOM 215 CE2 PHE A 17 1.543 -0.624 13.903 1.00 0.00 C ATOM 216 CZ PHE A 17 0.388 -0.209 14.536 1.00 0.00 C ATOM 0 H PHE A 17 1.921 5.087 13.149 1.00 0.00 H new ATOM 0 HA PHE A 17 4.047 3.082 13.546 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.893 3.020 11.394 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.286 1.959 11.459 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.299 2.980 13.455 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.153 -0.069 12.617 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.963 1.415 14.866 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.894 -1.638 14.028 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.165 -0.897 15.158 1.00 0.00 H new ATOM 226 N LEU A 18 5.022 3.845 11.134 1.00 0.00 N ATOM 227 CA LEU A 18 5.849 4.577 10.180 1.00 0.00 C ATOM 228 C LEU A 18 5.095 4.815 8.876 1.00 0.00 C ATOM 229 O LEU A 18 5.215 5.876 8.263 1.00 0.00 O ATOM 230 CB LEU A 18 7.143 3.809 9.902 1.00 0.00 C ATOM 231 CG LEU A 18 6.981 2.337 9.520 1.00 0.00 C ATOM 232 CD1 LEU A 18 8.107 1.898 8.598 1.00 0.00 C ATOM 233 CD2 LEU A 18 6.938 1.464 10.766 1.00 0.00 C ATOM 0 H LEU A 18 5.175 2.837 11.138 1.00 0.00 H new ATOM 0 HA LEU A 18 6.095 5.545 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.677 4.316 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.774 3.866 10.789 1.00 0.00 H new ATOM 0 HG LEU A 18 6.037 2.222 8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.975 0.848 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.091 2.502 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.064 2.028 9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.822 0.420 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.865 1.584 11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.096 1.762 11.390 1.00 0.00 H new ATOM 245 N SER A 19 4.317 3.822 8.458 1.00 0.00 N ATOM 246 CA SER A 19 3.545 3.922 7.226 1.00 0.00 C ATOM 247 C SER A 19 2.134 3.376 7.423 1.00 0.00 C ATOM 248 O SER A 19 1.803 2.846 8.484 1.00 0.00 O ATOM 249 CB SER A 19 4.244 3.163 6.097 1.00 0.00 C ATOM 250 OG SER A 19 3.725 3.536 4.832 1.00 0.00 O ATOM 0 H SER A 19 4.205 2.938 8.955 1.00 0.00 H new ATOM 0 HA SER A 19 3.474 4.976 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.315 3.365 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.117 2.090 6.243 1.00 0.00 H new ATOM 0 HG SER A 19 4.190 3.038 4.128 1.00 0.00 H new ATOM 256 N LYS A 20 1.305 3.509 6.393 1.00 0.00 N ATOM 257 CA LYS A 20 -0.070 3.029 6.449 1.00 0.00 C ATOM 258 C LYS A 20 -0.114 1.504 6.464 1.00 0.00 C ATOM 259 O LYS A 20 -0.766 0.900 7.316 1.00 0.00 O ATOM 260 CB LYS A 20 -0.868 3.562 5.256 1.00 0.00 C ATOM 261 CG LYS A 20 -1.549 4.892 5.526 1.00 0.00 C ATOM 262 CD LYS A 20 -2.707 4.739 6.497 1.00 0.00 C ATOM 263 CE LYS A 20 -3.685 5.898 6.385 1.00 0.00 C ATOM 264 NZ LYS A 20 -4.769 5.617 5.403 1.00 0.00 N ATOM 0 H LYS A 20 1.563 3.946 5.508 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.519 3.397 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.199 3.672 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.623 2.827 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.824 5.597 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.912 5.313 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.228 3.802 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.324 4.682 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.124 6.099 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.148 6.798 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.414 6.431 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.353 5.451 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.298 4.773 5.702 1.00 0.00 H new ATOM 278 N TYR A 21 0.584 0.888 5.516 1.00 0.00 N ATOM 279 CA TYR A 21 0.624 -0.566 5.420 1.00 0.00 C ATOM 280 C TYR A 21 0.618 -1.204 6.806 1.00 0.00 C ATOM 281 O TYR A 21 -0.249 -2.019 7.123 1.00 0.00 O ATOM 282 CB TYR A 21 1.865 -1.013 4.646 1.00 0.00 C ATOM 283 CG TYR A 21 2.250 -2.454 4.897 1.00 0.00 C ATOM 284 CD1 TYR A 21 1.579 -3.493 4.265 1.00 0.00 C ATOM 285 CD2 TYR A 21 3.284 -2.775 5.768 1.00 0.00 C ATOM 286 CE1 TYR A 21 1.927 -4.810 4.492 1.00 0.00 C ATOM 287 CE2 TYR A 21 3.639 -4.090 6.000 1.00 0.00 C ATOM 288 CZ TYR A 21 2.957 -5.104 5.361 1.00 0.00 C ATOM 289 OH TYR A 21 3.308 -6.415 5.589 1.00 0.00 O ATOM 0 H TYR A 21 1.129 1.373 4.804 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.267 -0.894 4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.687 -0.874 3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.702 -0.370 4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.771 -3.267 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.819 -1.984 6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.395 -5.606 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.447 -4.323 6.678 1.00 0.00 H new ATOM 0 HH TYR A 21 4.052 -6.448 6.226 1.00 0.00 H new ATOM 299 N TYR A 22 1.591 -0.828 7.627 1.00 0.00 N ATOM 300 CA TYR A 22 1.700 -1.363 8.979 1.00 0.00 C ATOM 301 C TYR A 22 0.417 -1.119 9.767 1.00 0.00 C ATOM 302 O TYR A 22 -0.020 -1.970 10.544 1.00 0.00 O ATOM 303 CB TYR A 22 2.887 -0.730 9.707 1.00 0.00 C ATOM 304 CG TYR A 22 4.217 -1.358 9.357 1.00 0.00 C ATOM 305 CD1 TYR A 22 4.395 -2.735 9.418 1.00 0.00 C ATOM 306 CD2 TYR A 22 5.297 -0.576 8.967 1.00 0.00 C ATOM 307 CE1 TYR A 22 5.608 -3.314 9.100 1.00 0.00 C ATOM 308 CE2 TYR A 22 6.514 -1.146 8.646 1.00 0.00 C ATOM 309 CZ TYR A 22 6.664 -2.515 8.714 1.00 0.00 C ATOM 310 OH TYR A 22 7.875 -3.087 8.396 1.00 0.00 O ATOM 0 H TYR A 22 2.316 -0.154 7.380 1.00 0.00 H new ATOM 0 HA TYR A 22 1.860 -2.439 8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.923 0.333 9.469 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.728 -0.811 10.782 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.570 -3.364 9.719 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.183 0.497 8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.729 -4.386 9.153 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.343 -0.523 8.344 1.00 0.00 H new ATOM 0 HH TYR A 22 8.512 -2.386 8.144 1.00 0.00 H new ATOM 320 N LEU A 23 -0.183 0.048 9.561 1.00 0.00 N ATOM 321 CA LEU A 23 -1.417 0.406 10.251 1.00 0.00 C ATOM 322 C LEU A 23 -2.575 -0.473 9.787 1.00 0.00 C ATOM 323 O LEU A 23 -3.162 -1.213 10.577 1.00 0.00 O ATOM 324 CB LEU A 23 -1.752 1.879 10.008 1.00 0.00 C ATOM 325 CG LEU A 23 -3.048 2.385 10.640 1.00 0.00 C ATOM 326 CD1 LEU A 23 -2.951 2.352 12.158 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.364 3.793 10.155 1.00 0.00 C ATOM 0 H LEU A 23 0.165 0.762 8.922 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.267 0.245 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.927 2.485 10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.807 2.046 8.932 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.860 1.725 10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.883 2.716 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.773 1.329 12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.128 2.988 12.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.290 4.137 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.551 4.464 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.478 3.787 9.071 1.00 0.00 H new ATOM 339 N LYS A 24 -2.897 -0.388 8.501 1.00 0.00 N ATOM 340 CA LYS A 24 -3.982 -1.177 7.930 1.00 0.00 C ATOM 341 C LYS A 24 -3.906 -2.627 8.399 1.00 0.00 C ATOM 342 O LYS A 24 -4.923 -3.237 8.728 1.00 0.00 O ATOM 343 CB LYS A 24 -3.930 -1.122 6.401 1.00 0.00 C ATOM 344 CG LYS A 24 -2.586 -1.528 5.823 1.00 0.00 C ATOM 345 CD LYS A 24 -2.604 -1.511 4.304 1.00 0.00 C ATOM 346 CE LYS A 24 -2.324 -0.119 3.758 1.00 0.00 C ATOM 347 NZ LYS A 24 -3.579 0.648 3.526 1.00 0.00 N ATOM 0 H LYS A 24 -2.422 0.220 7.834 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.926 -0.752 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.703 -1.776 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.166 -0.109 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.813 -0.851 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.325 -2.527 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.859 -2.209 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.575 -1.854 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.690 0.425 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.770 -0.200 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.647 0.906 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.397 0.063 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.570 1.512 4.105 1.00 0.00 H new ATOM 361 N VAL A 25 -2.693 -3.171 8.430 1.00 0.00 N ATOM 362 CA VAL A 25 -2.485 -4.548 8.862 1.00 0.00 C ATOM 363 C VAL A 25 -2.740 -4.700 10.357 1.00 0.00 C ATOM 364 O VAL A 25 -3.324 -5.689 10.801 1.00 0.00 O ATOM 365 CB VAL A 25 -1.055 -5.025 8.545 1.00 0.00 C ATOM 366 CG1 VAL A 25 -0.822 -6.422 9.100 1.00 0.00 C ATOM 367 CG2 VAL A 25 -0.801 -4.988 7.046 1.00 0.00 C ATOM 0 H VAL A 25 -1.841 -2.679 8.161 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.196 -5.163 8.311 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.350 -4.347 9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.193 -6.742 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.959 -6.411 10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.533 -7.115 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.214 -5.328 6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.512 -5.641 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.923 -3.968 6.681 1.00 0.00 H new ATOM 377 N HIS A 26 -2.299 -3.712 11.130 1.00 0.00 N ATOM 378 CA HIS A 26 -2.481 -3.735 12.577 1.00 0.00 C ATOM 379 C HIS A 26 -3.940 -3.485 12.945 1.00 0.00 C ATOM 380 O HIS A 26 -4.605 -4.352 13.511 1.00 0.00 O ATOM 381 CB HIS A 26 -1.588 -2.686 13.241 1.00 0.00 C ATOM 382 CG HIS A 26 -2.165 -2.120 14.502 1.00 0.00 C ATOM 383 ND1 HIS A 26 -1.861 -2.610 15.755 1.00 0.00 N ATOM 384 CD2 HIS A 26 -3.030 -1.098 14.699 1.00 0.00 C ATOM 385 CE1 HIS A 26 -2.516 -1.916 16.667 1.00 0.00 C ATOM 386 NE2 HIS A 26 -3.233 -0.992 16.053 1.00 0.00 N ATOM 0 H HIS A 26 -1.814 -2.887 10.779 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.198 -4.724 12.939 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.619 -3.134 13.463 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.410 -1.874 12.536 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.477 -0.481 13.934 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.473 -2.076 17.734 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.839 -0.311 16.510 1.00 0.00 H new ATOM 394 N ASN A 27 -4.431 -2.293 12.622 1.00 0.00 N ATOM 395 CA ASN A 27 -5.811 -1.929 12.920 1.00 0.00 C ATOM 396 C ASN A 27 -6.730 -3.143 12.813 1.00 0.00 C ATOM 397 O ASN A 27 -7.492 -3.439 13.733 1.00 0.00 O ATOM 398 CB ASN A 27 -6.288 -0.830 11.968 1.00 0.00 C ATOM 399 CG ASN A 27 -7.021 -1.386 10.762 1.00 0.00 C ATOM 400 OD1 ASN A 27 -6.469 -1.456 9.664 1.00 0.00 O ATOM 401 ND2 ASN A 27 -8.271 -1.786 10.963 1.00 0.00 N ATOM 0 H ASN A 27 -3.894 -1.563 12.154 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.848 -1.556 13.943 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.946 -0.147 12.506 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.430 -0.247 11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.814 -2.170 10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.688 -1.709 11.891 1.00 0.00 H new ATOM 543 N PHE A 36 -11.646 -15.909 11.286 1.00 0.00 N ATOM 544 CA PHE A 36 -10.241 -16.289 11.199 1.00 0.00 C ATOM 545 C PHE A 36 -9.610 -15.753 9.917 1.00 0.00 C ATOM 546 O PHE A 36 -10.260 -15.687 8.875 1.00 0.00 O ATOM 547 CB PHE A 36 -10.099 -17.812 11.252 1.00 0.00 C ATOM 548 CG PHE A 36 -10.764 -18.435 12.446 1.00 0.00 C ATOM 549 CD1 PHE A 36 -10.074 -18.589 13.638 1.00 0.00 C ATOM 550 CD2 PHE A 36 -12.079 -18.866 12.377 1.00 0.00 C ATOM 551 CE1 PHE A 36 -10.684 -19.162 14.738 1.00 0.00 C ATOM 552 CE2 PHE A 36 -12.694 -19.439 13.474 1.00 0.00 C ATOM 553 CZ PHE A 36 -11.996 -19.587 14.656 1.00 0.00 C ATOM 0 HA PHE A 36 -9.719 -15.852 12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.525 -18.240 10.345 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.040 -18.070 11.260 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.048 -18.258 13.708 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.630 -18.753 11.455 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.135 -19.277 15.661 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.720 -19.771 13.407 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.475 -20.034 15.515 1.00 0.00 H new ATOM 563 N GLU A 37 -8.340 -15.371 10.004 1.00 0.00 N ATOM 564 CA GLU A 37 -7.622 -14.839 8.852 1.00 0.00 C ATOM 565 C GLU A 37 -6.139 -15.190 8.925 1.00 0.00 C ATOM 566 O GLU A 37 -5.527 -15.130 9.992 1.00 0.00 O ATOM 567 CB GLU A 37 -7.795 -13.320 8.773 1.00 0.00 C ATOM 568 CG GLU A 37 -7.140 -12.697 7.551 1.00 0.00 C ATOM 569 CD GLU A 37 -7.848 -11.439 7.088 1.00 0.00 C ATOM 570 OE1 GLU A 37 -9.016 -11.541 6.656 1.00 0.00 O ATOM 571 OE2 GLU A 37 -7.236 -10.352 7.158 1.00 0.00 O ATOM 0 H GLU A 37 -7.787 -15.420 10.860 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.041 -15.293 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.859 -13.084 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.375 -12.867 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.101 -12.461 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.130 -13.424 6.739 1.00 0.00 H new ATOM 578 N CYS A 38 -5.568 -15.558 7.784 1.00 0.00 N ATOM 579 CA CYS A 38 -4.157 -15.921 7.716 1.00 0.00 C ATOM 580 C CYS A 38 -3.281 -14.803 8.274 1.00 0.00 C ATOM 581 O CYS A 38 -3.115 -13.747 7.663 1.00 0.00 O ATOM 582 CB CYS A 38 -3.756 -16.226 6.272 1.00 0.00 C ATOM 583 SG CYS A 38 -2.299 -17.308 6.117 1.00 0.00 S ATOM 0 H CYS A 38 -6.061 -15.613 6.893 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.007 -16.814 8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.599 -16.694 5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.554 -15.287 5.756 1.00 0.00 H new ATOM 0 HG CYS A 38 -1.449 -16.776 5.290 1.00 0.00 H new ATOM 588 N PRO A 39 -2.706 -15.039 9.463 1.00 0.00 N ATOM 589 CA PRO A 39 -1.836 -14.065 10.129 1.00 0.00 C ATOM 590 C PRO A 39 -0.504 -13.890 9.409 1.00 0.00 C ATOM 591 O PRO A 39 0.366 -13.145 9.862 1.00 0.00 O ATOM 592 CB PRO A 39 -1.618 -14.675 11.516 1.00 0.00 C ATOM 593 CG PRO A 39 -1.817 -16.138 11.322 1.00 0.00 C ATOM 594 CD PRO A 39 -2.860 -16.276 10.247 1.00 0.00 C ATOM 0 HA PRO A 39 -2.280 -13.070 10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.618 -14.458 11.891 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.325 -14.272 12.241 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.886 -16.623 11.027 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.145 -16.613 12.247 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.692 -17.163 9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.862 -16.363 10.668 1.00 0.00 H new ATOM 602 N LYS A 40 -0.349 -14.580 8.284 1.00 0.00 N ATOM 603 CA LYS A 40 0.877 -14.500 7.499 1.00 0.00 C ATOM 604 C LYS A 40 0.704 -13.555 6.314 1.00 0.00 C ATOM 605 O LYS A 40 1.640 -12.858 5.921 1.00 0.00 O ATOM 606 CB LYS A 40 1.280 -15.890 7.001 1.00 0.00 C ATOM 607 CG LYS A 40 1.564 -16.877 8.120 1.00 0.00 C ATOM 608 CD LYS A 40 2.910 -16.610 8.772 1.00 0.00 C ATOM 609 CE LYS A 40 3.444 -17.848 9.476 1.00 0.00 C ATOM 610 NZ LYS A 40 4.898 -17.731 9.776 1.00 0.00 N ATOM 0 H LYS A 40 -1.058 -15.202 7.895 1.00 0.00 H new ATOM 0 HA LYS A 40 1.665 -14.108 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.483 -16.286 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.167 -15.799 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.776 -16.814 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.546 -17.892 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.624 -16.284 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.813 -15.796 9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.893 -18.004 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.271 -18.724 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.224 -18.594 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.427 -17.607 8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.060 -16.910 10.393 1.00 0.00 H new ATOM 624 N CYS A 41 -0.499 -13.534 5.751 1.00 0.00 N ATOM 625 CA CYS A 41 -0.796 -12.674 4.612 1.00 0.00 C ATOM 626 C CYS A 41 -2.058 -11.854 4.864 1.00 0.00 C ATOM 627 O CYS A 41 -2.086 -10.648 4.622 1.00 0.00 O ATOM 628 CB CYS A 41 -0.964 -13.512 3.343 1.00 0.00 C ATOM 629 SG CYS A 41 -2.395 -14.638 3.379 1.00 0.00 S ATOM 0 H CYS A 41 -1.285 -14.103 6.065 1.00 0.00 H new ATOM 0 HA CYS A 41 0.041 -11.989 4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.064 -12.842 2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.058 -14.098 3.185 1.00 0.00 H new ATOM 0 HG CYS A 41 -2.453 -15.301 2.263 1.00 0.00 H new ATOM 634 N GLY A 42 -3.102 -12.519 5.351 1.00 0.00 N ATOM 635 CA GLY A 42 -4.352 -11.836 5.628 1.00 0.00 C ATOM 636 C GLY A 42 -5.501 -12.373 4.798 1.00 0.00 C ATOM 637 O GLY A 42 -6.239 -11.608 4.177 1.00 0.00 O ATOM 0 H GLY A 42 -3.104 -13.518 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.592 -11.939 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.232 -10.771 5.431 1.00 0.00 H new ATOM 641 N LYS A 43 -5.654 -13.693 4.785 1.00 0.00 N ATOM 642 CA LYS A 43 -6.721 -14.333 4.024 1.00 0.00 C ATOM 643 C LYS A 43 -7.842 -14.799 4.947 1.00 0.00 C ATOM 644 O LYS A 43 -7.616 -15.590 5.863 1.00 0.00 O ATOM 645 CB LYS A 43 -6.170 -15.521 3.234 1.00 0.00 C ATOM 646 CG LYS A 43 -7.226 -16.259 2.429 1.00 0.00 C ATOM 647 CD LYS A 43 -7.763 -15.402 1.295 1.00 0.00 C ATOM 648 CE LYS A 43 -6.739 -15.248 0.180 1.00 0.00 C ATOM 649 NZ LYS A 43 -7.205 -14.304 -0.873 1.00 0.00 N ATOM 0 H LYS A 43 -5.052 -14.341 5.293 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.128 -13.599 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.391 -15.167 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.699 -16.219 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.800 -17.176 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.046 -16.552 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.672 -15.852 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.036 -14.419 1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.798 -14.890 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.540 -16.222 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.480 -14.226 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.090 -14.658 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.371 -13.368 -0.451 1.00 0.00 H new ATOM 663 N CYS A 44 -9.050 -14.305 4.699 1.00 0.00 N ATOM 664 CA CYS A 44 -10.207 -14.671 5.508 1.00 0.00 C ATOM 665 C CYS A 44 -10.641 -16.104 5.218 1.00 0.00 C ATOM 666 O CYS A 44 -10.373 -16.639 4.142 1.00 0.00 O ATOM 667 CB CYS A 44 -11.367 -13.711 5.241 1.00 0.00 C ATOM 668 SG CYS A 44 -11.912 -13.671 3.518 1.00 0.00 S ATOM 0 H CYS A 44 -9.254 -13.650 3.944 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.922 -14.601 6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.210 -13.994 5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.069 -12.706 5.540 1.00 0.00 H new ATOM 0 HG CYS A 44 -12.897 -12.832 3.394 1.00 0.00 H new ATOM 674 N TYR A 45 -11.312 -16.721 6.184 1.00 0.00 N ATOM 675 CA TYR A 45 -11.779 -18.094 6.035 1.00 0.00 C ATOM 676 C TYR A 45 -12.623 -18.516 7.233 1.00 0.00 C ATOM 677 O TYR A 45 -12.110 -18.684 8.340 1.00 0.00 O ATOM 678 CB TYR A 45 -10.592 -19.045 5.873 1.00 0.00 C ATOM 679 CG TYR A 45 -10.147 -19.220 4.438 1.00 0.00 C ATOM 680 CD1 TYR A 45 -11.060 -19.549 3.443 1.00 0.00 C ATOM 681 CD2 TYR A 45 -8.816 -19.058 4.077 1.00 0.00 C ATOM 682 CE1 TYR A 45 -10.659 -19.711 2.131 1.00 0.00 C ATOM 683 CE2 TYR A 45 -8.406 -19.216 2.768 1.00 0.00 C ATOM 684 CZ TYR A 45 -9.331 -19.543 1.798 1.00 0.00 C ATOM 685 OH TYR A 45 -8.926 -19.703 0.493 1.00 0.00 O ATOM 0 H TYR A 45 -11.545 -16.292 7.079 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.400 -18.144 5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.754 -18.670 6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.859 -20.019 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.101 -19.680 3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.088 -18.804 4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.381 -19.968 1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.367 -19.084 2.505 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.960 -19.548 0.429 1.00 0.00 H new ATOM 695 N PHE A 46 -13.921 -18.686 7.004 1.00 0.00 N ATOM 696 CA PHE A 46 -14.838 -19.088 8.065 1.00 0.00 C ATOM 697 C PHE A 46 -14.426 -20.432 8.660 1.00 0.00 C ATOM 698 O PHE A 46 -14.467 -20.623 9.875 1.00 0.00 O ATOM 699 CB PHE A 46 -16.268 -19.174 7.526 1.00 0.00 C ATOM 700 CG PHE A 46 -16.529 -18.250 6.371 1.00 0.00 C ATOM 701 CD1 PHE A 46 -16.958 -16.950 6.590 1.00 0.00 C ATOM 702 CD2 PHE A 46 -16.346 -18.680 5.067 1.00 0.00 C ATOM 703 CE1 PHE A 46 -17.200 -16.099 5.529 1.00 0.00 C ATOM 704 CE2 PHE A 46 -16.586 -17.833 4.002 1.00 0.00 C ATOM 705 CZ PHE A 46 -17.013 -16.540 4.233 1.00 0.00 C ATOM 0 H PHE A 46 -14.362 -18.552 6.094 1.00 0.00 H new ATOM 0 HA PHE A 46 -14.797 -18.334 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -16.469 -20.199 7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -16.966 -18.943 8.331 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.105 -16.599 7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.012 -19.690 4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.535 -15.089 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.440 -18.182 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.200 -15.875 3.403 1.00 0.00 H new ATOM 715 N ARG A 47 -14.028 -21.359 7.794 1.00 0.00 N ATOM 716 CA ARG A 47 -13.610 -22.684 8.233 1.00 0.00 C ATOM 717 C ARG A 47 -12.131 -22.691 8.610 1.00 0.00 C ATOM 718 O ARG A 47 -11.272 -22.339 7.802 1.00 0.00 O ATOM 719 CB ARG A 47 -13.872 -23.715 7.133 1.00 0.00 C ATOM 720 CG ARG A 47 -15.346 -24.018 6.921 1.00 0.00 C ATOM 721 CD ARG A 47 -15.959 -23.098 5.876 1.00 0.00 C ATOM 722 NE ARG A 47 -17.412 -23.230 5.815 1.00 0.00 N ATOM 723 CZ ARG A 47 -18.132 -22.932 4.739 1.00 0.00 C ATOM 724 NH1 ARG A 47 -17.537 -22.489 3.641 1.00 0.00 N ATOM 725 NH2 ARG A 47 -19.451 -23.078 4.762 1.00 0.00 N ATOM 0 H ARG A 47 -13.987 -21.216 6.785 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.193 -22.948 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.446 -23.352 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.352 -24.640 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.464 -25.055 6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.881 -23.907 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.698 -22.065 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.533 -23.325 4.899 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.901 -23.569 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.523 -22.376 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.093 -22.261 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.912 -23.419 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.004 -22.849 3.936 1.00 0.00 H new ATOM 739 N LYS A 48 -11.842 -23.094 9.843 1.00 0.00 N ATOM 740 CA LYS A 48 -10.468 -23.148 10.328 1.00 0.00 C ATOM 741 C LYS A 48 -9.603 -24.012 9.417 1.00 0.00 C ATOM 742 O LYS A 48 -8.549 -23.579 8.953 1.00 0.00 O ATOM 743 CB LYS A 48 -10.431 -23.697 11.756 1.00 0.00 C ATOM 744 CG LYS A 48 -9.025 -23.881 12.300 1.00 0.00 C ATOM 745 CD LYS A 48 -8.550 -22.646 13.047 1.00 0.00 C ATOM 746 CE LYS A 48 -8.031 -21.582 12.092 1.00 0.00 C ATOM 747 NZ LYS A 48 -7.263 -20.524 12.804 1.00 0.00 N ATOM 0 H LYS A 48 -12.541 -23.388 10.525 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.068 -22.134 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.979 -23.020 12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.950 -24.655 11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.002 -24.742 12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.341 -24.096 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.371 -22.238 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.762 -22.924 13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.395 -22.048 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.869 -21.128 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.492 -20.184 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.896 -19.732 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.864 -20.916 13.681 1.00 0.00 H new ATOM 761 N GLU A 49 -10.057 -25.236 9.164 1.00 0.00 N ATOM 762 CA GLU A 49 -9.323 -26.160 8.307 1.00 0.00 C ATOM 763 C GLU A 49 -8.929 -25.489 6.994 1.00 0.00 C ATOM 764 O GLU A 49 -7.753 -25.443 6.637 1.00 0.00 O ATOM 765 CB GLU A 49 -10.166 -27.406 8.023 1.00 0.00 C ATOM 766 CG GLU A 49 -9.340 -28.632 7.670 1.00 0.00 C ATOM 767 CD GLU A 49 -10.195 -29.801 7.220 1.00 0.00 C ATOM 768 OE1 GLU A 49 -11.388 -29.838 7.587 1.00 0.00 O ATOM 769 OE2 GLU A 49 -9.671 -30.678 6.502 1.00 0.00 O ATOM 0 H GLU A 49 -10.928 -25.610 9.540 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.414 -26.456 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.776 -27.629 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.851 -27.192 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.636 -28.376 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.750 -28.930 8.537 1.00 0.00 H new ATOM 776 N ASN A 50 -9.923 -24.972 6.280 1.00 0.00 N ATOM 777 CA ASN A 50 -9.682 -24.304 5.006 1.00 0.00 C ATOM 778 C ASN A 50 -8.511 -23.332 5.114 1.00 0.00 C ATOM 779 O ASN A 50 -7.618 -23.321 4.266 1.00 0.00 O ATOM 780 CB ASN A 50 -10.938 -23.559 4.551 1.00 0.00 C ATOM 781 CG ASN A 50 -11.947 -24.477 3.887 1.00 0.00 C ATOM 782 OD1 ASN A 50 -12.378 -25.470 4.473 1.00 0.00 O ATOM 783 ND2 ASN A 50 -12.328 -24.147 2.659 1.00 0.00 N ATOM 0 H ASN A 50 -10.903 -25.003 6.562 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.432 -25.065 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.402 -23.075 5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.656 -22.769 3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.005 -24.726 2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.944 -23.314 2.212 1.00 0.00 H new ATOM 790 N LEU A 51 -8.522 -22.517 6.163 1.00 0.00 N ATOM 791 CA LEU A 51 -7.461 -21.540 6.384 1.00 0.00 C ATOM 792 C LEU A 51 -6.113 -22.232 6.561 1.00 0.00 C ATOM 793 O LEU A 51 -5.115 -21.833 5.959 1.00 0.00 O ATOM 794 CB LEU A 51 -7.774 -20.687 7.614 1.00 0.00 C ATOM 795 CG LEU A 51 -6.622 -19.839 8.155 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.245 -18.754 7.159 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.993 -19.228 9.498 1.00 0.00 C ATOM 0 H LEU A 51 -9.254 -22.513 6.874 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.406 -20.895 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.603 -20.023 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.118 -21.347 8.411 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.757 -20.486 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.424 -18.161 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.935 -19.213 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.105 -18.109 6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.161 -18.628 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.872 -18.595 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.212 -20.023 10.211 1.00 0.00 H new ATOM 809 N LEU A 52 -6.091 -23.271 7.388 1.00 0.00 N ATOM 810 CA LEU A 52 -4.865 -24.020 7.643 1.00 0.00 C ATOM 811 C LEU A 52 -4.265 -24.540 6.341 1.00 0.00 C ATOM 812 O LEU A 52 -3.058 -24.440 6.120 1.00 0.00 O ATOM 813 CB LEU A 52 -5.146 -25.188 8.591 1.00 0.00 C ATOM 814 CG LEU A 52 -5.534 -24.813 10.021 1.00 0.00 C ATOM 815 CD1 LEU A 52 -6.023 -26.037 10.780 1.00 0.00 C ATOM 816 CD2 LEU A 52 -4.358 -24.171 10.742 1.00 0.00 C ATOM 0 H LEU A 52 -6.908 -23.614 7.894 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.146 -23.346 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.948 -25.791 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.258 -25.819 8.630 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.347 -24.089 9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.295 -25.751 11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.894 -26.454 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.231 -26.785 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.653 -23.911 11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.524 -24.872 10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.053 -23.269 10.210 1.00 0.00 H new ATOM 828 N GLU A 53 -5.115 -25.093 5.482 1.00 0.00 N ATOM 829 CA GLU A 53 -4.667 -25.628 4.201 1.00 0.00 C ATOM 830 C GLU A 53 -3.972 -24.549 3.375 1.00 0.00 C ATOM 831 O GLU A 53 -2.844 -24.734 2.916 1.00 0.00 O ATOM 832 CB GLU A 53 -5.852 -26.199 3.420 1.00 0.00 C ATOM 833 CG GLU A 53 -6.439 -27.457 4.037 1.00 0.00 C ATOM 834 CD GLU A 53 -7.195 -28.303 3.031 1.00 0.00 C ATOM 835 OE1 GLU A 53 -7.862 -27.722 2.149 1.00 0.00 O ATOM 836 OE2 GLU A 53 -7.120 -29.546 3.126 1.00 0.00 O ATOM 0 H GLU A 53 -6.117 -25.182 5.649 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.952 -26.427 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.631 -25.440 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.533 -26.419 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.637 -28.051 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.110 -27.179 4.850 1.00 0.00 H new ATOM 843 N HIS A 54 -4.652 -23.422 3.191 1.00 0.00 N ATOM 844 CA HIS A 54 -4.100 -22.313 2.421 1.00 0.00 C ATOM 845 C HIS A 54 -2.663 -22.022 2.841 1.00 0.00 C ATOM 846 O HIS A 54 -1.757 -21.994 2.009 1.00 0.00 O ATOM 847 CB HIS A 54 -4.960 -21.062 2.600 1.00 0.00 C ATOM 848 CG HIS A 54 -4.188 -19.784 2.488 1.00 0.00 C ATOM 849 ND1 HIS A 54 -3.286 -19.218 3.324 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -4.305 -18.925 1.415 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -2.877 -18.041 2.746 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -3.507 -17.888 1.595 1.00 0.00 N flip ATOM 0 H HIS A 54 -5.586 -23.253 3.564 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.101 -22.598 1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.752 -21.065 1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -5.444 -21.100 3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.949 -19.077 0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.158 -17.353 3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.396 -17.102 0.954 1.00 0.00 H new ATOM 860 N GLU A 55 -2.463 -21.805 4.138 1.00 0.00 N ATOM 861 CA GLU A 55 -1.136 -21.514 4.667 1.00 0.00 C ATOM 862 C GLU A 55 -0.063 -22.277 3.895 1.00 0.00 C ATOM 863 O GLU A 55 0.997 -21.734 3.584 1.00 0.00 O ATOM 864 CB GLU A 55 -1.065 -21.874 6.152 1.00 0.00 C ATOM 865 CG GLU A 55 -1.479 -20.740 7.074 1.00 0.00 C ATOM 866 CD GLU A 55 -0.788 -20.802 8.423 1.00 0.00 C ATOM 867 OE1 GLU A 55 -1.322 -21.469 9.333 1.00 0.00 O ATOM 868 OE2 GLU A 55 0.287 -20.183 8.567 1.00 0.00 O ATOM 0 H GLU A 55 -3.202 -21.825 4.840 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.952 -20.446 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.706 -22.736 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.046 -22.176 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.251 -19.787 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.559 -20.772 7.221 1.00 0.00 H new ATOM 875 N ALA A 56 -0.347 -23.539 3.590 1.00 0.00 N ATOM 876 CA ALA A 56 0.592 -24.376 2.854 1.00 0.00 C ATOM 877 C ALA A 56 0.348 -24.285 1.352 1.00 0.00 C ATOM 878 O ALA A 56 1.288 -24.164 0.566 1.00 0.00 O ATOM 879 CB ALA A 56 0.488 -25.821 3.321 1.00 0.00 C ATOM 0 H ALA A 56 -1.219 -24.004 3.841 1.00 0.00 H new ATOM 0 HA ALA A 56 1.600 -24.012 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.195 -26.435 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.719 -25.877 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.524 -26.187 3.150 1.00 0.00 H new ATOM 885 N ARG A 57 -0.920 -24.344 0.958 1.00 0.00 N ATOM 886 CA ARG A 57 -1.287 -24.270 -0.451 1.00 0.00 C ATOM 887 C ARG A 57 -0.703 -23.018 -1.100 1.00 0.00 C ATOM 888 O ARG A 57 0.130 -23.106 -2.002 1.00 0.00 O ATOM 889 CB ARG A 57 -2.809 -24.273 -0.604 1.00 0.00 C ATOM 890 CG ARG A 57 -3.288 -24.874 -1.916 1.00 0.00 C ATOM 891 CD ARG A 57 -4.674 -25.483 -1.776 1.00 0.00 C ATOM 892 NE ARG A 57 -5.404 -25.479 -3.041 1.00 0.00 N ATOM 893 CZ ARG A 57 -6.394 -26.320 -3.321 1.00 0.00 C ATOM 894 NH1 ARG A 57 -6.770 -27.226 -2.430 1.00 0.00 N ATOM 895 NH2 ARG A 57 -7.010 -26.253 -4.495 1.00 0.00 N ATOM 0 H ARG A 57 -1.711 -24.443 1.595 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.876 -25.145 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.248 -24.831 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.175 -23.249 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.304 -24.103 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.585 -25.639 -2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.585 -26.507 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.240 -24.927 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.139 -24.793 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.299 -27.279 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.530 -27.870 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.723 -25.556 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.770 -26.899 -4.710 1.00 0.00 H new ATOM 909 N ASN A 58 -1.145 -21.855 -0.634 1.00 0.00 N ATOM 910 CA ASN A 58 -0.667 -20.586 -1.170 1.00 0.00 C ATOM 911 C ASN A 58 -0.633 -19.515 -0.084 1.00 0.00 C ATOM 912 O ASN A 58 -1.517 -19.454 0.771 1.00 0.00 O ATOM 913 CB ASN A 58 -1.558 -20.128 -2.326 1.00 0.00 C ATOM 914 CG ASN A 58 -1.347 -20.953 -3.581 1.00 0.00 C ATOM 915 OD1 ASN A 58 -1.908 -22.039 -3.725 1.00 0.00 O ATOM 916 ND2 ASN A 58 -0.534 -20.440 -4.497 1.00 0.00 N ATOM 0 H ASN A 58 -1.833 -21.765 0.113 1.00 0.00 H new ATOM 0 HA ASN A 58 0.347 -20.736 -1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.603 -20.193 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.354 -19.080 -2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.354 -20.950 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.090 -19.536 -4.336 1.00 0.00 H new ATOM 1031 N VAL A 66 -0.746 -6.863 -5.770 1.00 0.00 N ATOM 1032 CA VAL A 66 -0.463 -6.303 -7.086 1.00 0.00 C ATOM 1033 C VAL A 66 -1.475 -5.224 -7.453 1.00 0.00 C ATOM 1034 O VAL A 66 -2.568 -5.164 -6.889 1.00 0.00 O ATOM 1035 CB VAL A 66 -0.474 -7.393 -8.174 1.00 0.00 C ATOM 1036 CG1 VAL A 66 0.671 -8.371 -7.963 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -1.811 -8.120 -8.187 1.00 0.00 C ATOM 0 HA VAL A 66 0.532 -5.861 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.337 -6.914 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.646 -9.134 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.620 -7.836 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.569 -8.846 -6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.801 -8.887 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.981 -8.587 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.610 -7.408 -8.392 1.00 0.00 H new ATOM 1047 N PHE A 67 -1.105 -4.372 -8.404 1.00 0.00 N ATOM 1048 CA PHE A 67 -1.980 -3.293 -8.847 1.00 0.00 C ATOM 1049 C PHE A 67 -2.545 -3.586 -10.233 1.00 0.00 C ATOM 1050 O PHE A 67 -2.109 -4.517 -10.911 1.00 0.00 O ATOM 1051 CB PHE A 67 -1.220 -1.965 -8.863 1.00 0.00 C ATOM 1052 CG PHE A 67 -0.685 -1.564 -7.519 1.00 0.00 C ATOM 1053 CD1 PHE A 67 0.214 -2.376 -6.846 1.00 0.00 C ATOM 1054 CD2 PHE A 67 -1.081 -0.375 -6.927 1.00 0.00 C ATOM 1055 CE1 PHE A 67 0.709 -2.010 -5.608 1.00 0.00 C ATOM 1056 CE2 PHE A 67 -0.589 -0.004 -5.690 1.00 0.00 C ATOM 1057 CZ PHE A 67 0.306 -0.822 -5.029 1.00 0.00 C ATOM 0 H PHE A 67 -0.205 -4.408 -8.883 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.810 -3.220 -8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.392 -2.038 -9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.882 -1.181 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.532 -3.306 -7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.782 0.269 -7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.410 -2.652 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.904 0.926 -5.240 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.690 -0.534 -4.062 1.00 0.00 H new ATOM 1067 N THR A 68 -3.521 -2.784 -10.650 1.00 0.00 N ATOM 1068 CA THR A 68 -4.148 -2.957 -11.954 1.00 0.00 C ATOM 1069 C THR A 68 -4.276 -1.625 -12.684 1.00 0.00 C ATOM 1070 O THR A 68 -4.775 -0.646 -12.127 1.00 0.00 O ATOM 1071 CB THR A 68 -5.543 -3.596 -11.826 1.00 0.00 C ATOM 1072 OG1 THR A 68 -5.440 -4.874 -11.190 1.00 0.00 O ATOM 1073 CG2 THR A 68 -6.193 -3.755 -13.193 1.00 0.00 C ATOM 0 H THR A 68 -3.894 -2.008 -10.103 1.00 0.00 H new ATOM 0 HA THR A 68 -3.503 -3.622 -12.529 1.00 0.00 H new ATOM 0 HB THR A 68 -6.165 -2.938 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.332 -5.273 -11.111 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.177 -4.208 -13.077 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.297 -2.777 -13.662 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.571 -4.394 -13.820 1.00 0.00 H new ATOM 1081 N CYS A 69 -3.824 -1.593 -13.933 1.00 0.00 N ATOM 1082 CA CYS A 69 -3.889 -0.381 -14.740 1.00 0.00 C ATOM 1083 C CYS A 69 -5.336 0.050 -14.960 1.00 0.00 C ATOM 1084 O CYS A 69 -6.269 -0.688 -14.644 1.00 0.00 O ATOM 1085 CB CYS A 69 -3.200 -0.603 -16.088 1.00 0.00 C ATOM 1086 SG CYS A 69 -2.653 0.931 -16.905 1.00 0.00 S ATOM 0 H CYS A 69 -3.408 -2.394 -14.409 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.371 0.412 -14.201 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.336 -1.251 -15.940 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.885 -1.131 -16.751 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.068 0.938 -18.137 1.00 0.00 H new ATOM 1091 N SER A 70 -5.515 1.249 -15.505 1.00 0.00 N ATOM 1092 CA SER A 70 -6.848 1.779 -15.765 1.00 0.00 C ATOM 1093 C SER A 70 -7.104 1.895 -17.265 1.00 0.00 C ATOM 1094 O SER A 70 -8.136 2.412 -17.692 1.00 0.00 O ATOM 1095 CB SER A 70 -7.013 3.148 -15.101 1.00 0.00 C ATOM 1096 OG SER A 70 -8.254 3.738 -15.451 1.00 0.00 O ATOM 0 H SER A 70 -4.754 1.872 -15.775 1.00 0.00 H new ATOM 0 HA SER A 70 -7.576 1.087 -15.342 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.950 3.040 -14.018 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.197 3.804 -15.404 1.00 0.00 H new ATOM 0 HG SER A 70 -8.661 3.233 -16.186 1.00 0.00 H new ATOM 1102 N VAL A 71 -6.155 1.410 -18.060 1.00 0.00 N ATOM 1103 CA VAL A 71 -6.277 1.457 -19.512 1.00 0.00 C ATOM 1104 C VAL A 71 -6.138 0.065 -20.120 1.00 0.00 C ATOM 1105 O VAL A 71 -6.954 -0.347 -20.945 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.217 2.385 -20.134 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -5.330 2.383 -21.651 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.355 3.796 -19.582 1.00 0.00 C ATOM 0 H VAL A 71 -5.294 0.980 -17.723 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.269 1.850 -19.734 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.229 2.010 -19.867 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.573 3.044 -22.073 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.177 1.371 -22.026 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.320 2.732 -21.943 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.598 4.438 -20.032 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.346 4.183 -19.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.219 3.779 -18.501 1.00 0.00 H new ATOM 1118 N CYS A 72 -5.101 -0.654 -19.707 1.00 0.00 N ATOM 1119 CA CYS A 72 -4.854 -2.000 -20.210 1.00 0.00 C ATOM 1120 C CYS A 72 -5.035 -3.036 -19.105 1.00 0.00 C ATOM 1121 O CYS A 72 -4.929 -4.239 -19.345 1.00 0.00 O ATOM 1122 CB CYS A 72 -3.442 -2.099 -20.790 1.00 0.00 C ATOM 1123 SG CYS A 72 -2.117 -1.793 -19.578 1.00 0.00 S ATOM 0 H CYS A 72 -4.417 -0.327 -19.025 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.579 -2.205 -20.998 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.306 -3.092 -21.218 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.345 -1.383 -21.607 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.490 -0.859 -18.754 1.00 0.00 H new ATOM 1128 N GLN A 73 -5.310 -2.560 -17.894 1.00 0.00 N ATOM 1129 CA GLN A 73 -5.506 -3.445 -16.752 1.00 0.00 C ATOM 1130 C GLN A 73 -4.257 -4.282 -16.492 1.00 0.00 C ATOM 1131 O GLN A 73 -4.350 -5.452 -16.123 1.00 0.00 O ATOM 1132 CB GLN A 73 -6.707 -4.361 -16.990 1.00 0.00 C ATOM 1133 CG GLN A 73 -7.950 -3.624 -17.464 1.00 0.00 C ATOM 1134 CD GLN A 73 -8.141 -2.293 -16.763 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -7.782 -1.209 -17.443 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 -8.606 -2.238 -15.624 1.00 0.00 N flip ATOM 0 H GLN A 73 -5.402 -1.567 -17.679 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.697 -2.828 -15.874 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.437 -5.115 -17.730 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.939 -4.890 -16.066 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.882 -3.458 -18.539 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.826 -4.250 -17.293 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.869 -3.096 -15.138 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.729 -1.335 -15.166 1.00 0.00 H new ATOM 1145 N GLU A 74 -3.092 -3.674 -16.687 1.00 0.00 N ATOM 1146 CA GLU A 74 -1.825 -4.364 -16.474 1.00 0.00 C ATOM 1147 C GLU A 74 -1.714 -4.865 -15.037 1.00 0.00 C ATOM 1148 O GLU A 74 -2.626 -4.681 -14.230 1.00 0.00 O ATOM 1149 CB GLU A 74 -0.652 -3.436 -16.794 1.00 0.00 C ATOM 1150 CG GLU A 74 0.547 -4.154 -17.390 1.00 0.00 C ATOM 1151 CD GLU A 74 0.148 -5.252 -18.357 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -0.514 -4.939 -19.369 1.00 0.00 O ATOM 1153 OE2 GLU A 74 0.497 -6.423 -18.101 1.00 0.00 O ATOM 0 H GLU A 74 -2.999 -2.705 -16.992 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.792 -5.223 -17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.987 -2.667 -17.490 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.343 -2.927 -15.881 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.178 -3.431 -17.907 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.146 -4.583 -16.586 1.00 0.00 H new ATOM 1160 N THR A 75 -0.589 -5.500 -14.723 1.00 0.00 N ATOM 1161 CA THR A 75 -0.357 -6.030 -13.385 1.00 0.00 C ATOM 1162 C THR A 75 0.972 -5.540 -12.822 1.00 0.00 C ATOM 1163 O THR A 75 2.027 -5.750 -13.422 1.00 0.00 O ATOM 1164 CB THR A 75 -0.367 -7.570 -13.381 1.00 0.00 C ATOM 1165 OG1 THR A 75 0.451 -8.068 -14.445 1.00 0.00 O ATOM 1166 CG2 THR A 75 -1.784 -8.102 -13.533 1.00 0.00 C ATOM 0 H THR A 75 0.176 -5.660 -15.378 1.00 0.00 H new ATOM 0 HA THR A 75 -1.170 -5.667 -12.756 1.00 0.00 H new ATOM 0 HB THR A 75 0.032 -7.911 -12.426 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.251 -7.509 -14.532 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.766 -9.192 -13.527 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.397 -7.745 -12.706 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.205 -7.751 -14.475 1.00 0.00 H new ATOM 1174 N PHE A 76 0.915 -4.887 -11.666 1.00 0.00 N ATOM 1175 CA PHE A 76 2.116 -4.367 -11.022 1.00 0.00 C ATOM 1176 C PHE A 76 2.219 -4.863 -9.583 1.00 0.00 C ATOM 1177 O PHE A 76 1.321 -5.540 -9.083 1.00 0.00 O ATOM 1178 CB PHE A 76 2.112 -2.837 -11.047 1.00 0.00 C ATOM 1179 CG PHE A 76 1.737 -2.260 -12.383 1.00 0.00 C ATOM 1180 CD1 PHE A 76 0.409 -2.174 -12.767 1.00 0.00 C ATOM 1181 CD2 PHE A 76 2.714 -1.805 -13.254 1.00 0.00 C ATOM 1182 CE1 PHE A 76 0.061 -1.643 -13.995 1.00 0.00 C ATOM 1183 CE2 PHE A 76 2.371 -1.273 -14.483 1.00 0.00 C ATOM 1184 CZ PHE A 76 1.043 -1.193 -14.854 1.00 0.00 C ATOM 0 H PHE A 76 0.051 -4.705 -11.156 1.00 0.00 H new ATOM 0 HA PHE A 76 2.982 -4.730 -11.576 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.415 -2.471 -10.293 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.101 -2.474 -10.768 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.364 -2.526 -12.099 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.754 -1.867 -12.970 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.978 -1.580 -14.282 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.141 -0.920 -15.153 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.774 -0.779 -15.814 1.00 0.00 H new ATOM 1194 N ARG A 77 3.322 -4.521 -8.924 1.00 0.00 N ATOM 1195 CA ARG A 77 3.544 -4.932 -7.543 1.00 0.00 C ATOM 1196 C ARG A 77 3.627 -3.720 -6.621 1.00 0.00 C ATOM 1197 O ARG A 77 3.307 -3.806 -5.435 1.00 0.00 O ATOM 1198 CB ARG A 77 4.828 -5.757 -7.435 1.00 0.00 C ATOM 1199 CG ARG A 77 6.054 -5.050 -7.989 1.00 0.00 C ATOM 1200 CD ARG A 77 6.277 -5.389 -9.455 1.00 0.00 C ATOM 1201 NE ARG A 77 7.425 -4.678 -10.012 1.00 0.00 N ATOM 1202 CZ ARG A 77 8.080 -5.077 -11.097 1.00 0.00 C ATOM 1203 NH1 ARG A 77 7.702 -6.174 -11.738 1.00 0.00 N ATOM 1204 NH2 ARG A 77 9.115 -4.376 -11.543 1.00 0.00 N ATOM 0 H ARG A 77 4.075 -3.961 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 77 2.698 -5.545 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.004 -6.005 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.691 -6.699 -7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.935 -3.972 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.933 -5.336 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.430 -6.463 -9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.383 -5.137 -10.025 1.00 0.00 H new ATOM 0 HE ARG A 77 7.741 -3.829 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.906 -6.714 -11.399 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.207 -6.478 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.408 -3.531 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.618 -4.683 -12.376 1.00 0.00 H new ATOM 1218 N ARG A 78 4.058 -2.591 -7.173 1.00 0.00 N ATOM 1219 CA ARG A 78 4.184 -1.361 -6.400 1.00 0.00 C ATOM 1220 C ARG A 78 3.295 -0.263 -6.976 1.00 0.00 C ATOM 1221 O ARG A 78 2.906 -0.314 -8.143 1.00 0.00 O ATOM 1222 CB ARG A 78 5.641 -0.894 -6.380 1.00 0.00 C ATOM 1223 CG ARG A 78 6.602 -1.922 -5.805 1.00 0.00 C ATOM 1224 CD ARG A 78 8.048 -1.468 -5.938 1.00 0.00 C ATOM 1225 NE ARG A 78 8.944 -2.241 -5.083 1.00 0.00 N ATOM 1226 CZ ARG A 78 10.101 -1.778 -4.622 1.00 0.00 C ATOM 1227 NH1 ARG A 78 10.498 -0.551 -4.931 1.00 0.00 N ATOM 1228 NH2 ARG A 78 10.862 -2.542 -3.849 1.00 0.00 N ATOM 0 H ARG A 78 4.326 -2.502 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 78 3.861 -1.568 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.949 -0.649 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.712 0.024 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.368 -2.093 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.469 -2.874 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.364 -1.565 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.122 -0.412 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 78 8.667 -3.188 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.915 0.040 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.387 -0.198 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.559 -3.486 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.750 -2.186 -3.496 1.00 0.00 H new ATOM 1242 N ARG A 79 2.977 0.728 -6.150 1.00 0.00 N ATOM 1243 CA ARG A 79 2.132 1.837 -6.576 1.00 0.00 C ATOM 1244 C ARG A 79 2.876 2.742 -7.554 1.00 0.00 C ATOM 1245 O ARG A 79 2.348 3.102 -8.606 1.00 0.00 O ATOM 1246 CB ARG A 79 1.670 2.649 -5.365 1.00 0.00 C ATOM 1247 CG ARG A 79 0.974 3.949 -5.733 1.00 0.00 C ATOM 1248 CD ARG A 79 -0.533 3.768 -5.826 1.00 0.00 C ATOM 1249 NE ARG A 79 -0.974 3.554 -7.202 1.00 0.00 N ATOM 1250 CZ ARG A 79 -1.292 4.540 -8.033 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -1.218 5.801 -7.631 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -1.685 4.265 -9.271 1.00 0.00 N ATOM 0 H ARG A 79 3.292 0.786 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 79 1.260 1.423 -7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.992 2.040 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.533 2.874 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.205 4.710 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.358 4.311 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.835 2.919 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.030 4.649 -5.419 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.041 2.595 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.916 6.016 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.463 6.556 -8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.743 3.296 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.929 5.023 -9.909 1.00 0.00 H new ATOM 1266 N MET A 80 4.104 3.106 -7.199 1.00 0.00 N ATOM 1267 CA MET A 80 4.920 3.969 -8.046 1.00 0.00 C ATOM 1268 C MET A 80 5.067 3.376 -9.444 1.00 0.00 C ATOM 1269 O MET A 80 4.908 4.075 -10.443 1.00 0.00 O ATOM 1270 CB MET A 80 6.300 4.177 -7.419 1.00 0.00 C ATOM 1271 CG MET A 80 7.209 5.080 -8.237 1.00 0.00 C ATOM 1272 SD MET A 80 6.995 6.825 -7.839 1.00 0.00 S ATOM 1273 CE MET A 80 5.825 7.319 -9.103 1.00 0.00 C ATOM 0 H MET A 80 4.556 2.817 -6.331 1.00 0.00 H new ATOM 0 HA MET A 80 4.419 4.933 -8.131 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.177 4.604 -6.424 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.782 3.208 -7.293 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.247 4.797 -8.064 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.009 4.926 -9.297 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.131 8.274 -9.529 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.797 6.564 -9.888 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.834 7.420 -8.662 1.00 0.00 H new ATOM 1283 N GLU A 81 5.373 2.083 -9.504 1.00 0.00 N ATOM 1284 CA GLU A 81 5.543 1.399 -10.780 1.00 0.00 C ATOM 1285 C GLU A 81 4.413 1.752 -11.742 1.00 0.00 C ATOM 1286 O GLU A 81 4.654 2.206 -12.862 1.00 0.00 O ATOM 1287 CB GLU A 81 5.592 -0.116 -10.569 1.00 0.00 C ATOM 1288 CG GLU A 81 6.905 -0.606 -9.982 1.00 0.00 C ATOM 1289 CD GLU A 81 8.065 -0.467 -10.949 1.00 0.00 C ATOM 1290 OE1 GLU A 81 8.716 0.600 -10.943 1.00 0.00 O ATOM 1291 OE2 GLU A 81 8.321 -1.422 -11.711 1.00 0.00 O ATOM 0 H GLU A 81 5.508 1.490 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 81 6.485 1.729 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.776 -0.409 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.423 -0.613 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.125 -0.044 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.801 -1.652 -9.693 1.00 0.00 H new ATOM 1298 N LEU A 82 3.179 1.542 -11.299 1.00 0.00 N ATOM 1299 CA LEU A 82 2.009 1.837 -12.119 1.00 0.00 C ATOM 1300 C LEU A 82 2.076 3.258 -12.670 1.00 0.00 C ATOM 1301 O LEU A 82 1.763 3.498 -13.837 1.00 0.00 O ATOM 1302 CB LEU A 82 0.729 1.654 -11.303 1.00 0.00 C ATOM 1303 CG LEU A 82 -0.574 2.047 -12.000 1.00 0.00 C ATOM 1304 CD1 LEU A 82 -0.629 1.457 -13.401 1.00 0.00 C ATOM 1305 CD2 LEU A 82 -1.774 1.595 -11.182 1.00 0.00 C ATOM 0 H LEU A 82 2.962 1.168 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 82 1.999 1.141 -12.958 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.658 0.608 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.819 2.239 -10.388 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.605 3.133 -12.084 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.563 1.747 -13.882 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.211 1.830 -13.986 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.575 0.370 -13.340 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.692 1.883 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.748 0.511 -11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.743 2.066 -10.199 1.00 0.00 H new ATOM 1317 N ARG A 83 2.487 4.197 -11.824 1.00 0.00 N ATOM 1318 CA ARG A 83 2.596 5.594 -12.226 1.00 0.00 C ATOM 1319 C ARG A 83 3.582 5.752 -13.381 1.00 0.00 C ATOM 1320 O ARG A 83 3.337 6.510 -14.320 1.00 0.00 O ATOM 1321 CB ARG A 83 3.039 6.455 -11.042 1.00 0.00 C ATOM 1322 CG ARG A 83 2.172 6.283 -9.806 1.00 0.00 C ATOM 1323 CD ARG A 83 0.801 6.915 -9.995 1.00 0.00 C ATOM 1324 NE ARG A 83 0.771 8.302 -9.538 1.00 0.00 N ATOM 1325 CZ ARG A 83 -0.334 9.037 -9.494 1.00 0.00 C ATOM 1326 NH1 ARG A 83 -1.494 8.520 -9.876 1.00 0.00 N ATOM 1327 NH2 ARG A 83 -0.281 10.292 -9.066 1.00 0.00 N ATOM 0 H ARG A 83 2.750 4.015 -10.855 1.00 0.00 H new ATOM 0 HA ARG A 83 1.614 5.927 -12.561 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.070 6.208 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.027 7.503 -11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.057 5.222 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.667 6.736 -8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.525 6.874 -11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.056 6.337 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 83 1.647 8.729 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.539 7.555 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.341 9.087 -9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.609 10.693 -8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.130 10.856 -9.033 1.00 0.00 H new ATOM 1341 N LEU A 84 4.696 5.033 -13.303 1.00 0.00 N ATOM 1342 CA LEU A 84 5.719 5.093 -14.341 1.00 0.00 C ATOM 1343 C LEU A 84 5.251 4.387 -15.609 1.00 0.00 C ATOM 1344 O LEU A 84 5.844 4.547 -16.676 1.00 0.00 O ATOM 1345 CB LEU A 84 7.019 4.460 -13.841 1.00 0.00 C ATOM 1346 CG LEU A 84 7.409 4.780 -12.397 1.00 0.00 C ATOM 1347 CD1 LEU A 84 8.755 4.158 -12.058 1.00 0.00 C ATOM 1348 CD2 LEU A 84 7.445 6.285 -12.176 1.00 0.00 C ATOM 0 H LEU A 84 4.914 4.402 -12.532 1.00 0.00 H new ATOM 0 HA LEU A 84 5.900 6.142 -14.577 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.935 3.378 -13.942 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.830 4.780 -14.495 1.00 0.00 H new ATOM 0 HG LEU A 84 6.657 4.353 -11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.016 4.396 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.696 3.076 -12.177 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.518 4.556 -12.727 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.724 6.495 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.176 6.734 -12.848 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.460 6.706 -12.378 1.00 0.00 H new ATOM 1360 N HIS A 85 4.183 3.606 -15.485 1.00 0.00 N ATOM 1361 CA HIS A 85 3.633 2.876 -16.622 1.00 0.00 C ATOM 1362 C HIS A 85 2.549 3.694 -17.319 1.00 0.00 C ATOM 1363 O HIS A 85 2.494 3.750 -18.547 1.00 0.00 O ATOM 1364 CB HIS A 85 3.061 1.534 -16.166 1.00 0.00 C ATOM 1365 CG HIS A 85 2.128 0.911 -17.159 1.00 0.00 C ATOM 1366 ND1 HIS A 85 2.539 0.001 -18.109 1.00 0.00 N ATOM 1367 CD2 HIS A 85 0.797 1.072 -17.344 1.00 0.00 C ATOM 1368 CE1 HIS A 85 1.502 -0.371 -18.838 1.00 0.00 C ATOM 1369 NE2 HIS A 85 0.432 0.265 -18.394 1.00 0.00 N ATOM 0 H HIS A 85 3.681 3.462 -14.609 1.00 0.00 H new ATOM 0 HA HIS A 85 4.441 2.695 -17.331 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.883 0.846 -15.971 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.533 1.675 -15.223 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.144 1.715 -16.773 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.525 -1.075 -19.657 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -0.512 0.172 -18.770 1.00 0.00 H new ATOM 1377 N MET A 86 1.689 4.325 -16.526 1.00 0.00 N ATOM 1378 CA MET A 86 0.607 5.140 -17.068 1.00 0.00 C ATOM 1379 C MET A 86 1.134 6.119 -18.112 1.00 0.00 C ATOM 1380 O MET A 86 0.442 6.448 -19.075 1.00 0.00 O ATOM 1381 CB MET A 86 -0.096 5.903 -15.944 1.00 0.00 C ATOM 1382 CG MET A 86 -0.771 4.999 -14.925 1.00 0.00 C ATOM 1383 SD MET A 86 -2.525 4.756 -15.265 1.00 0.00 S ATOM 1384 CE MET A 86 -2.456 4.045 -16.907 1.00 0.00 C ATOM 0 H MET A 86 1.720 4.288 -15.507 1.00 0.00 H new ATOM 0 HA MET A 86 -0.110 4.475 -17.550 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.632 6.533 -15.433 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.843 6.568 -16.379 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.269 4.031 -14.915 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.654 5.429 -13.930 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.395 3.535 -17.122 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.296 4.836 -17.640 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.635 3.330 -16.960 1.00 0.00 H new ATOM 1394 N VAL A 87 2.364 6.583 -17.914 1.00 0.00 N ATOM 1395 CA VAL A 87 2.984 7.524 -18.839 1.00 0.00 C ATOM 1396 C VAL A 87 2.893 7.023 -20.276 1.00 0.00 C ATOM 1397 O VAL A 87 2.797 7.814 -21.215 1.00 0.00 O ATOM 1398 CB VAL A 87 4.463 7.767 -18.484 1.00 0.00 C ATOM 1399 CG1 VAL A 87 4.625 7.987 -16.988 1.00 0.00 C ATOM 1400 CG2 VAL A 87 5.322 6.604 -18.957 1.00 0.00 C ATOM 0 H VAL A 87 2.951 6.322 -17.121 1.00 0.00 H new ATOM 0 HA VAL A 87 2.437 8.463 -18.750 1.00 0.00 H new ATOM 0 HB VAL A 87 4.798 8.669 -18.997 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.677 8.157 -16.757 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.041 8.856 -16.683 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.273 7.106 -16.451 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.364 6.792 -18.698 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.988 5.685 -18.474 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.230 6.500 -20.038 1.00 0.00 H new ATOM 1410 N SER A 88 2.923 5.705 -20.441 1.00 0.00 N ATOM 1411 CA SER A 88 2.847 5.098 -21.764 1.00 0.00 C ATOM 1412 C SER A 88 1.479 5.341 -22.396 1.00 0.00 C ATOM 1413 O SER A 88 1.348 5.392 -23.619 1.00 0.00 O ATOM 1414 CB SER A 88 3.120 3.595 -21.676 1.00 0.00 C ATOM 1415 OG SER A 88 2.044 2.917 -21.051 1.00 0.00 O ATOM 0 H SER A 88 2.999 5.037 -19.674 1.00 0.00 H new ATOM 0 HA SER A 88 3.607 5.562 -22.393 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.276 3.191 -22.676 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.038 3.421 -21.115 1.00 0.00 H new ATOM 0 HG SER A 88 2.078 3.072 -20.084 1.00 0.00 H new ATOM 1421 N HIS A 89 0.463 5.492 -21.552 1.00 0.00 N ATOM 1422 CA HIS A 89 -0.895 5.730 -22.026 1.00 0.00 C ATOM 1423 C HIS A 89 -1.125 7.215 -22.292 1.00 0.00 C ATOM 1424 O HIS A 89 -1.533 7.605 -23.387 1.00 0.00 O ATOM 1425 CB HIS A 89 -1.912 5.220 -21.004 1.00 0.00 C ATOM 1426 CG HIS A 89 -2.018 3.727 -20.959 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -2.340 2.962 -22.061 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -1.842 2.857 -19.937 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -2.359 1.687 -21.718 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -2.060 1.596 -20.434 1.00 0.00 N ATOM 0 H HIS A 89 0.555 5.454 -20.537 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.027 5.186 -22.961 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.636 5.586 -20.015 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -2.891 5.639 -21.238 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.579 3.108 -18.920 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.581 0.859 -22.375 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.001 0.730 -19.899 1.00 0.00 H new ATOM 1438 N THR A 90 -0.860 8.040 -21.284 1.00 0.00 N ATOM 1439 CA THR A 90 -1.039 9.481 -21.408 1.00 0.00 C ATOM 1440 C THR A 90 -0.067 10.071 -22.424 1.00 0.00 C ATOM 1441 O THR A 90 -0.433 10.937 -23.217 1.00 0.00 O ATOM 1442 CB THR A 90 -0.843 10.190 -20.055 1.00 0.00 C ATOM 1443 OG1 THR A 90 -0.941 11.608 -20.226 1.00 0.00 O ATOM 1444 CG2 THR A 90 0.509 9.840 -19.451 1.00 0.00 C ATOM 0 H THR A 90 -0.520 7.734 -20.372 1.00 0.00 H new ATOM 0 HA THR A 90 -2.061 9.644 -21.750 1.00 0.00 H new ATOM 0 HB THR A 90 -1.626 9.851 -19.376 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.817 12.051 -19.361 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.625 10.353 -18.496 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.570 8.763 -19.295 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.303 10.153 -20.129 1.00 0.00 H new ATOM 1452 N GLY A 91 1.174 9.595 -22.393 1.00 0.00 N ATOM 1453 CA GLY A 91 2.180 10.086 -23.317 1.00 0.00 C ATOM 1454 C GLY A 91 3.450 10.521 -22.614 1.00 0.00 C ATOM 1455 O GLY A 91 4.553 10.264 -23.096 1.00 0.00 O ATOM 0 H GLY A 91 1.501 8.878 -21.745 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.418 9.305 -24.039 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.773 10.927 -23.879 1.00 0.00 H new ATOM 1505 N TYR A 95 5.092 16.131 -14.641 1.00 0.00 N ATOM 1506 CA TYR A 95 6.243 16.851 -14.109 1.00 0.00 C ATOM 1507 C TYR A 95 7.547 16.269 -14.648 1.00 0.00 C ATOM 1508 O TYR A 95 7.619 15.089 -14.990 1.00 0.00 O ATOM 1509 CB TYR A 95 6.242 16.799 -12.580 1.00 0.00 C ATOM 1510 CG TYR A 95 4.980 17.353 -11.957 1.00 0.00 C ATOM 1511 CD1 TYR A 95 4.837 18.716 -11.725 1.00 0.00 C ATOM 1512 CD2 TYR A 95 3.932 16.514 -11.599 1.00 0.00 C ATOM 1513 CE1 TYR A 95 3.687 19.226 -11.155 1.00 0.00 C ATOM 1514 CE2 TYR A 95 2.778 17.016 -11.030 1.00 0.00 C ATOM 1515 CZ TYR A 95 2.660 18.373 -10.810 1.00 0.00 C ATOM 1516 OH TYR A 95 1.513 18.876 -10.242 1.00 0.00 O ATOM 0 HA TYR A 95 6.169 17.890 -14.431 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.372 15.765 -12.260 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.099 17.359 -12.205 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.639 19.388 -11.995 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.021 15.451 -11.769 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.593 20.288 -10.980 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.972 16.350 -10.759 1.00 0.00 H new ATOM 0 HH TYR A 95 0.889 18.142 -10.060 1.00 0.00 H new ATOM 1526 N LYS A 96 8.576 17.107 -14.720 1.00 0.00 N ATOM 1527 CA LYS A 96 9.879 16.678 -15.214 1.00 0.00 C ATOM 1528 C LYS A 96 10.992 17.545 -14.635 1.00 0.00 C ATOM 1529 O LYS A 96 10.809 18.742 -14.413 1.00 0.00 O ATOM 1530 CB LYS A 96 9.912 16.739 -16.743 1.00 0.00 C ATOM 1531 CG LYS A 96 9.632 15.405 -17.411 1.00 0.00 C ATOM 1532 CD LYS A 96 9.336 15.574 -18.892 1.00 0.00 C ATOM 1533 CE LYS A 96 7.867 15.887 -19.134 1.00 0.00 C ATOM 1534 NZ LYS A 96 7.060 14.650 -19.325 1.00 0.00 N ATOM 0 H LYS A 96 8.533 18.088 -14.442 1.00 0.00 H new ATOM 0 HA LYS A 96 10.041 15.649 -14.894 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.178 17.468 -17.085 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.890 17.098 -17.063 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.491 14.746 -17.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.785 14.923 -16.922 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.952 16.376 -19.298 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.608 14.663 -19.425 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.472 16.451 -18.289 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.771 16.522 -20.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.107 14.905 -19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.519 14.042 -20.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.990 14.138 -18.422 1.00 0.00 H new ATOM 1548 N CYS A 97 12.147 16.934 -14.395 1.00 0.00 N ATOM 1549 CA CYS A 97 13.291 17.649 -13.843 1.00 0.00 C ATOM 1550 C CYS A 97 14.042 18.402 -14.938 1.00 0.00 C ATOM 1551 O CYS A 97 13.627 18.409 -16.097 1.00 0.00 O ATOM 1552 CB CYS A 97 14.237 16.675 -13.138 1.00 0.00 C ATOM 1553 SG CYS A 97 15.103 17.387 -11.702 1.00 0.00 S ATOM 0 H CYS A 97 12.316 15.944 -14.574 1.00 0.00 H new ATOM 0 HA CYS A 97 12.919 18.373 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.668 15.805 -12.811 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.977 16.320 -13.856 1.00 0.00 H new ATOM 0 HG CYS A 97 14.356 18.298 -11.153 1.00 0.00 H new ATOM 1558 N SER A 98 15.149 19.034 -14.562 1.00 0.00 N ATOM 1559 CA SER A 98 15.956 19.792 -15.511 1.00 0.00 C ATOM 1560 C SER A 98 17.395 19.286 -15.526 1.00 0.00 C ATOM 1561 O SER A 98 17.994 19.115 -16.588 1.00 0.00 O ATOM 1562 CB SER A 98 15.931 21.281 -15.158 1.00 0.00 C ATOM 1563 OG SER A 98 16.425 21.504 -13.849 1.00 0.00 O ATOM 0 H SER A 98 15.508 19.036 -13.607 1.00 0.00 H new ATOM 0 HA SER A 98 15.530 19.654 -16.505 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.532 21.838 -15.877 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.911 21.659 -15.234 1.00 0.00 H new ATOM 0 HG SER A 98 16.400 22.463 -13.649 1.00 0.00 H new ATOM 1569 N SER A 99 17.945 19.049 -14.339 1.00 0.00 N ATOM 1570 CA SER A 99 19.316 18.566 -14.215 1.00 0.00 C ATOM 1571 C SER A 99 19.426 17.117 -14.680 1.00 0.00 C ATOM 1572 O SER A 99 20.322 16.765 -15.446 1.00 0.00 O ATOM 1573 CB SER A 99 19.791 18.686 -12.766 1.00 0.00 C ATOM 1574 OG SER A 99 20.413 19.939 -12.535 1.00 0.00 O ATOM 0 H SER A 99 17.463 19.183 -13.450 1.00 0.00 H new ATOM 0 HA SER A 99 19.952 19.182 -14.851 1.00 0.00 H new ATOM 0 HB2 SER A 99 18.943 18.567 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 99 20.492 17.882 -12.542 1.00 0.00 H new ATOM 0 HG SER A 99 20.706 19.992 -11.601 1.00 0.00 H new ATOM 1580 N CYS A 100 18.507 16.280 -14.209 1.00 0.00 N ATOM 1581 CA CYS A 100 18.498 14.869 -14.575 1.00 0.00 C ATOM 1582 C CYS A 100 17.410 14.580 -15.605 1.00 0.00 C ATOM 1583 O CYS A 100 17.452 13.564 -16.299 1.00 0.00 O ATOM 1584 CB CYS A 100 18.284 14.001 -13.334 1.00 0.00 C ATOM 1585 SG CYS A 100 16.614 14.127 -12.616 1.00 0.00 S ATOM 0 H CYS A 100 17.759 16.555 -13.573 1.00 0.00 H new ATOM 0 HA CYS A 100 19.465 14.628 -15.017 1.00 0.00 H new ATOM 0 HB2 CYS A 100 18.478 12.960 -13.594 1.00 0.00 H new ATOM 0 HB3 CYS A 100 19.016 14.282 -12.577 1.00 0.00 H new ATOM 0 HG CYS A 100 16.357 15.369 -12.331 1.00 0.00 H new ATOM 1590 N SER A 101 16.437 15.481 -15.698 1.00 0.00 N ATOM 1591 CA SER A 101 15.336 15.322 -16.641 1.00 0.00 C ATOM 1592 C SER A 101 14.425 14.172 -16.222 1.00 0.00 C ATOM 1593 O SER A 101 13.835 13.496 -17.065 1.00 0.00 O ATOM 1594 CB SER A 101 15.875 15.074 -18.051 1.00 0.00 C ATOM 1595 OG SER A 101 16.849 16.041 -18.402 1.00 0.00 O ATOM 0 H SER A 101 16.389 16.328 -15.132 1.00 0.00 H new ATOM 0 HA SER A 101 14.753 16.243 -16.640 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.312 14.077 -18.107 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.054 15.103 -18.768 1.00 0.00 H new ATOM 0 HG SER A 101 17.179 15.859 -19.307 1.00 0.00 H new ATOM 1601 N GLN A 102 14.316 13.956 -14.915 1.00 0.00 N ATOM 1602 CA GLN A 102 13.478 12.888 -14.385 1.00 0.00 C ATOM 1603 C GLN A 102 12.006 13.152 -14.681 1.00 0.00 C ATOM 1604 O GLN A 102 11.666 14.112 -15.372 1.00 0.00 O ATOM 1605 CB GLN A 102 13.689 12.747 -12.876 1.00 0.00 C ATOM 1606 CG GLN A 102 14.792 11.768 -12.505 1.00 0.00 C ATOM 1607 CD GLN A 102 14.278 10.356 -12.308 1.00 0.00 C ATOM 1608 OE1 GLN A 102 13.721 9.752 -13.225 1.00 0.00 O ATOM 1609 NE2 GLN A 102 14.461 9.821 -11.106 1.00 0.00 N ATOM 0 H GLN A 102 14.798 14.507 -14.204 1.00 0.00 H new ATOM 0 HA GLN A 102 13.767 11.958 -14.874 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.927 13.725 -12.458 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.756 12.422 -12.416 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.551 11.768 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 102 15.278 12.105 -11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.928 10.357 -10.375 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.135 8.874 -10.914 1.00 0.00 H new ATOM 1618 N GLN A 103 11.138 12.294 -14.155 1.00 0.00 N ATOM 1619 CA GLN A 103 9.702 12.436 -14.365 1.00 0.00 C ATOM 1620 C GLN A 103 8.929 12.079 -13.100 1.00 0.00 C ATOM 1621 O GLN A 103 9.340 11.208 -12.333 1.00 0.00 O ATOM 1622 CB GLN A 103 9.245 11.547 -15.523 1.00 0.00 C ATOM 1623 CG GLN A 103 9.983 11.816 -16.825 1.00 0.00 C ATOM 1624 CD GLN A 103 9.353 11.112 -18.010 1.00 0.00 C ATOM 1625 OE1 GLN A 103 9.919 10.166 -18.558 1.00 0.00 O ATOM 1626 NE2 GLN A 103 8.173 11.570 -18.412 1.00 0.00 N ATOM 0 H GLN A 103 11.404 11.494 -13.581 1.00 0.00 H new ATOM 0 HA GLN A 103 9.498 13.478 -14.612 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.385 10.502 -15.245 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.177 11.694 -15.683 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.001 12.890 -17.013 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.019 11.493 -16.724 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.740 12.357 -17.929 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.700 11.135 -19.204 1.00 0.00 H new ATOM 1635 N PHE A 104 7.807 12.759 -12.887 1.00 0.00 N ATOM 1636 CA PHE A 104 6.977 12.515 -11.713 1.00 0.00 C ATOM 1637 C PHE A 104 5.502 12.737 -12.035 1.00 0.00 C ATOM 1638 O PHE A 104 5.162 13.355 -13.043 1.00 0.00 O ATOM 1639 CB PHE A 104 7.403 13.429 -10.562 1.00 0.00 C ATOM 1640 CG PHE A 104 8.878 13.394 -10.283 1.00 0.00 C ATOM 1641 CD1 PHE A 104 9.769 14.057 -11.111 1.00 0.00 C ATOM 1642 CD2 PHE A 104 9.374 12.698 -9.192 1.00 0.00 C ATOM 1643 CE1 PHE A 104 11.127 14.025 -10.857 1.00 0.00 C ATOM 1644 CE2 PHE A 104 10.731 12.663 -8.933 1.00 0.00 C ATOM 1645 CZ PHE A 104 11.609 13.329 -9.766 1.00 0.00 C ATOM 0 H PHE A 104 7.452 13.483 -13.512 1.00 0.00 H new ATOM 0 HA PHE A 104 7.113 11.476 -11.412 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.109 14.453 -10.794 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.864 13.139 -9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.398 14.605 -11.965 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.692 12.177 -8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.811 14.544 -11.512 1.00 0.00 H new ATOM 0 HE2 PHE A 104 11.105 12.116 -8.080 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.670 13.305 -9.564 1.00 0.00 H new ATOM 1655 N MET A 105 4.631 12.228 -11.170 1.00 0.00 N ATOM 1656 CA MET A 105 3.192 12.371 -11.361 1.00 0.00 C ATOM 1657 C MET A 105 2.650 13.545 -10.552 1.00 0.00 C ATOM 1658 O MET A 105 1.648 14.155 -10.923 1.00 0.00 O ATOM 1659 CB MET A 105 2.472 11.082 -10.958 1.00 0.00 C ATOM 1660 CG MET A 105 2.405 10.049 -12.071 1.00 0.00 C ATOM 1661 SD MET A 105 1.585 10.674 -13.550 1.00 0.00 S ATOM 1662 CE MET A 105 2.506 9.827 -14.832 1.00 0.00 C ATOM 0 H MET A 105 4.896 11.713 -10.330 1.00 0.00 H new ATOM 0 HA MET A 105 3.008 12.566 -12.418 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.980 10.645 -10.098 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.459 11.326 -10.639 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.416 9.731 -12.327 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.875 9.167 -11.712 1.00 0.00 H new ATOM 0 HE1 MET A 105 2.266 10.264 -15.801 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.574 9.930 -14.641 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.239 8.770 -14.834 1.00 0.00 H new ATOM 1672 N GLN A 106 3.318 13.853 -9.445 1.00 0.00 N ATOM 1673 CA GLN A 106 2.901 14.953 -8.584 1.00 0.00 C ATOM 1674 C GLN A 106 3.984 16.025 -8.507 1.00 0.00 C ATOM 1675 O GLN A 106 5.171 15.736 -8.663 1.00 0.00 O ATOM 1676 CB GLN A 106 2.578 14.437 -7.181 1.00 0.00 C ATOM 1677 CG GLN A 106 1.750 13.162 -7.178 1.00 0.00 C ATOM 1678 CD GLN A 106 0.853 13.052 -5.960 1.00 0.00 C ATOM 1679 OE1 GLN A 106 1.314 12.739 -4.862 1.00 0.00 O ATOM 1680 NE2 GLN A 106 -0.436 13.308 -6.149 1.00 0.00 N ATOM 0 H GLN A 106 4.149 13.357 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 106 2.004 15.398 -9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.510 14.256 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.040 15.211 -6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 106 1.138 13.128 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.417 12.300 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.774 13.564 -7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.088 13.249 -5.367 1.00 0.00 H new ATOM 1689 N LYS A 107 3.568 17.263 -8.266 1.00 0.00 N ATOM 1690 CA LYS A 107 4.501 18.379 -8.168 1.00 0.00 C ATOM 1691 C LYS A 107 5.439 18.201 -6.978 1.00 0.00 C ATOM 1692 O LYS A 107 6.660 18.232 -7.126 1.00 0.00 O ATOM 1693 CB LYS A 107 3.738 19.699 -8.037 1.00 0.00 C ATOM 1694 CG LYS A 107 4.444 20.877 -8.686 1.00 0.00 C ATOM 1695 CD LYS A 107 3.456 21.943 -9.129 1.00 0.00 C ATOM 1696 CE LYS A 107 3.203 22.961 -8.028 1.00 0.00 C ATOM 1697 NZ LYS A 107 4.409 23.790 -7.751 1.00 0.00 N ATOM 0 H LYS A 107 2.589 17.519 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 107 5.099 18.401 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.752 19.585 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.583 19.916 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.156 21.309 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.017 20.530 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.840 22.451 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.515 21.472 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.375 23.609 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.901 22.444 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.115 24.726 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.993 23.323 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.962 23.901 -8.625 1.00 0.00 H new ATOM 1711 N LYS A 108 4.859 18.013 -5.797 1.00 0.00 N ATOM 1712 CA LYS A 108 5.641 17.827 -4.581 1.00 0.00 C ATOM 1713 C LYS A 108 6.689 16.734 -4.770 1.00 0.00 C ATOM 1714 O LYS A 108 7.816 16.851 -4.288 1.00 0.00 O ATOM 1715 CB LYS A 108 4.724 17.471 -3.409 1.00 0.00 C ATOM 1716 CG LYS A 108 4.000 16.147 -3.583 1.00 0.00 C ATOM 1717 CD LYS A 108 3.376 15.677 -2.280 1.00 0.00 C ATOM 1718 CE LYS A 108 2.119 14.858 -2.528 1.00 0.00 C ATOM 1719 NZ LYS A 108 0.919 15.723 -2.703 1.00 0.00 N ATOM 0 H LYS A 108 3.849 17.985 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 108 6.153 18.764 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.315 17.435 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 108 3.987 18.264 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.224 16.252 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.700 15.394 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.098 15.078 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.133 16.540 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.256 14.243 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.958 14.178 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.083 15.127 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.773 16.292 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.062 16.355 -3.517 1.00 0.00 H new ATOM 1733 N ASP A 109 6.310 15.674 -5.475 1.00 0.00 N ATOM 1734 CA ASP A 109 7.218 14.561 -5.730 1.00 0.00 C ATOM 1735 C ASP A 109 8.504 15.049 -6.390 1.00 0.00 C ATOM 1736 O ASP A 109 9.590 14.541 -6.110 1.00 0.00 O ATOM 1737 CB ASP A 109 6.540 13.515 -6.616 1.00 0.00 C ATOM 1738 CG ASP A 109 7.050 12.112 -6.348 1.00 0.00 C ATOM 1739 OD1 ASP A 109 8.201 11.978 -5.885 1.00 0.00 O ATOM 1740 OD2 ASP A 109 6.297 11.148 -6.603 1.00 0.00 O ATOM 0 H ASP A 109 5.381 15.562 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 109 7.473 14.105 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.463 13.545 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.708 13.766 -7.663 1.00 0.00 H new ATOM 1745 N LEU A 110 8.373 16.037 -7.268 1.00 0.00 N ATOM 1746 CA LEU A 110 9.524 16.594 -7.970 1.00 0.00 C ATOM 1747 C LEU A 110 10.304 17.546 -7.069 1.00 0.00 C ATOM 1748 O LEU A 110 11.518 17.418 -6.918 1.00 0.00 O ATOM 1749 CB LEU A 110 9.071 17.326 -9.234 1.00 0.00 C ATOM 1750 CG LEU A 110 10.110 18.233 -9.894 1.00 0.00 C ATOM 1751 CD1 LEU A 110 11.305 17.420 -10.366 1.00 0.00 C ATOM 1752 CD2 LEU A 110 9.491 18.998 -11.055 1.00 0.00 C ATOM 0 H LEU A 110 7.481 16.469 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 110 10.180 15.770 -8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.750 16.583 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.197 17.928 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 110 10.456 18.954 -9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.034 18.082 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.764 16.919 -9.514 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.975 16.675 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.245 19.638 -11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.116 18.293 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.668 19.612 -10.689 1.00 0.00 H new ATOM 1764 N GLN A 111 9.596 18.499 -6.471 1.00 0.00 N ATOM 1765 CA GLN A 111 10.221 19.472 -5.583 1.00 0.00 C ATOM 1766 C GLN A 111 11.113 18.778 -4.558 1.00 0.00 C ATOM 1767 O GLN A 111 12.275 19.145 -4.383 1.00 0.00 O ATOM 1768 CB GLN A 111 9.154 20.302 -4.868 1.00 0.00 C ATOM 1769 CG GLN A 111 8.238 21.061 -5.815 1.00 0.00 C ATOM 1770 CD GLN A 111 7.430 22.133 -5.111 1.00 0.00 C ATOM 1771 OE1 GLN A 111 6.194 22.331 -5.556 1.00 0.00 O flip ATOM 1772 NE2 GLN A 111 7.911 22.777 -4.179 1.00 0.00 N flip ATOM 0 H GLN A 111 8.589 18.618 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 111 10.840 20.134 -6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 111 8.551 19.643 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.644 21.013 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.836 21.520 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.559 20.359 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.865 22.592 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.355 23.496 -3.716 1.00 0.00 H new ATOM 1781 N SER A 112 10.562 17.775 -3.883 1.00 0.00 N ATOM 1782 CA SER A 112 11.306 17.033 -2.873 1.00 0.00 C ATOM 1783 C SER A 112 12.501 16.316 -3.496 1.00 0.00 C ATOM 1784 O SER A 112 13.588 16.279 -2.918 1.00 0.00 O ATOM 1785 CB SER A 112 10.395 16.019 -2.179 1.00 0.00 C ATOM 1786 OG SER A 112 10.901 15.668 -0.903 1.00 0.00 O ATOM 0 H SER A 112 9.602 17.457 -4.017 1.00 0.00 H new ATOM 0 HA SER A 112 11.675 17.745 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 112 9.394 16.437 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 112 10.304 15.125 -2.796 1.00 0.00 H new ATOM 0 HG SER A 112 10.300 15.020 -0.480 1.00 0.00 H new ATOM 1792 N HIS A 113 12.291 15.747 -4.678 1.00 0.00 N ATOM 1793 CA HIS A 113 13.349 15.031 -5.381 1.00 0.00 C ATOM 1794 C HIS A 113 14.533 15.951 -5.662 1.00 0.00 C ATOM 1795 O HIS A 113 15.689 15.548 -5.532 1.00 0.00 O ATOM 1796 CB HIS A 113 12.818 14.449 -6.691 1.00 0.00 C ATOM 1797 CG HIS A 113 13.852 14.362 -7.771 1.00 0.00 C ATOM 1798 ND1 HIS A 113 14.235 15.264 -8.705 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 14.628 13.242 -7.981 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 15.226 14.679 -9.454 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 15.445 13.459 -8.997 1.00 0.00 N flip ATOM 0 H HIS A 113 11.397 15.768 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 113 13.688 14.216 -4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.419 13.453 -6.501 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.989 15.063 -7.042 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.576 12.330 -7.405 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.743 15.141 -10.282 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.128 12.797 -9.365 1.00 0.00 H new ATOM 1809 N MET A 114 14.237 17.187 -6.049 1.00 0.00 N ATOM 1810 CA MET A 114 15.277 18.164 -6.349 1.00 0.00 C ATOM 1811 C MET A 114 15.888 18.719 -5.065 1.00 0.00 C ATOM 1812 O MET A 114 17.037 19.161 -5.055 1.00 0.00 O ATOM 1813 CB MET A 114 14.707 19.307 -7.191 1.00 0.00 C ATOM 1814 CG MET A 114 14.097 18.847 -8.505 1.00 0.00 C ATOM 1815 SD MET A 114 13.982 20.174 -9.720 1.00 0.00 S ATOM 1816 CE MET A 114 15.707 20.380 -10.159 1.00 0.00 C ATOM 0 H MET A 114 13.285 17.536 -6.162 1.00 0.00 H new ATOM 0 HA MET A 114 16.060 17.661 -6.916 1.00 0.00 H new ATOM 0 HB2 MET A 114 13.947 19.831 -6.611 1.00 0.00 H new ATOM 0 HB3 MET A 114 15.500 20.025 -7.400 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.698 18.035 -8.915 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.102 18.444 -8.318 1.00 0.00 H new ATOM 0 HE1 MET A 114 16.022 21.397 -9.928 1.00 0.00 H new ATOM 0 HE2 MET A 114 16.314 19.674 -9.591 1.00 0.00 H new ATOM 0 HE3 MET A 114 15.836 20.194 -11.225 1.00 0.00 H new ATOM 1826 N ILE A 115 15.112 18.692 -3.987 1.00 0.00 N ATOM 1827 CA ILE A 115 15.578 19.191 -2.699 1.00 0.00 C ATOM 1828 C ILE A 115 16.408 18.140 -1.969 1.00 0.00 C ATOM 1829 O ILE A 115 17.226 18.466 -1.109 1.00 0.00 O ATOM 1830 CB ILE A 115 14.401 19.614 -1.800 1.00 0.00 C ATOM 1831 CG1 ILE A 115 13.664 20.805 -2.415 1.00 0.00 C ATOM 1832 CG2 ILE A 115 14.897 19.956 -0.403 1.00 0.00 C ATOM 1833 CD1 ILE A 115 12.191 20.848 -2.071 1.00 0.00 C ATOM 0 H ILE A 115 14.158 18.330 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 115 16.199 20.062 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 115 13.704 18.779 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 115 14.135 21.728 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 115 13.775 20.770 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 115 14.053 20.253 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 115 15.382 19.083 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 115 15.612 20.777 -0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 115 11.733 21.718 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.706 19.942 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 115 12.072 20.915 -0.990 1.00 0.00 H new ATOM 1845 N LYS A 116 16.193 16.876 -2.320 1.00 0.00 N ATOM 1846 CA LYS A 116 16.923 15.776 -1.702 1.00 0.00 C ATOM 1847 C LYS A 116 18.161 15.417 -2.518 1.00 0.00 C ATOM 1848 O LYS A 116 19.282 15.442 -2.008 1.00 0.00 O ATOM 1849 CB LYS A 116 16.017 14.550 -1.564 1.00 0.00 C ATOM 1850 CG LYS A 116 15.221 14.524 -0.271 1.00 0.00 C ATOM 1851 CD LYS A 116 13.945 15.341 -0.386 1.00 0.00 C ATOM 1852 CE LYS A 116 13.276 15.523 0.968 1.00 0.00 C ATOM 1853 NZ LYS A 116 14.084 16.385 1.875 1.00 0.00 N ATOM 0 H LYS A 116 15.519 16.589 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 116 17.244 16.097 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.326 14.523 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.628 13.649 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.973 13.494 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.833 14.915 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.174 16.317 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.255 14.847 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.290 15.966 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.125 14.548 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.487 16.721 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.880 15.836 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.450 17.201 1.344 1.00 0.00 H new ATOM 1867 N LEU A 117 17.952 15.086 -3.787 1.00 0.00 N ATOM 1868 CA LEU A 117 19.051 14.724 -4.675 1.00 0.00 C ATOM 1869 C LEU A 117 19.797 15.966 -5.153 1.00 0.00 C ATOM 1870 O LEU A 117 21.016 16.064 -5.010 1.00 0.00 O ATOM 1871 CB LEU A 117 18.525 13.938 -5.877 1.00 0.00 C ATOM 1872 CG LEU A 117 17.513 12.834 -5.566 1.00 0.00 C ATOM 1873 CD1 LEU A 117 17.419 11.854 -6.725 1.00 0.00 C ATOM 1874 CD2 LEU A 117 17.891 12.110 -4.282 1.00 0.00 C ATOM 0 H LEU A 117 17.031 15.061 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 117 19.746 14.098 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 117 18.064 14.640 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 117 19.374 13.490 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 117 16.535 13.294 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.694 11.076 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 117 17.100 12.383 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.395 11.400 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.160 11.328 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.879 11.663 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.905 12.820 -3.455 1.00 0.00 H new ATOM 1886 N HIS A 118 19.056 16.914 -5.718 1.00 0.00 N ATOM 1887 CA HIS A 118 19.647 18.152 -6.214 1.00 0.00 C ATOM 1888 C HIS A 118 19.704 19.206 -5.113 1.00 0.00 C ATOM 1889 O HIS A 118 19.495 20.393 -5.365 1.00 0.00 O ATOM 1890 CB HIS A 118 18.846 18.683 -7.403 1.00 0.00 C ATOM 1891 CG HIS A 118 18.771 17.724 -8.551 1.00 0.00 C ATOM 1892 ND1 HIS A 118 19.883 17.136 -9.115 1.00 0.00 N ATOM 1893 CD2 HIS A 118 17.707 17.249 -9.240 1.00 0.00 C ATOM 1894 CE1 HIS A 118 19.507 16.343 -10.102 1.00 0.00 C ATOM 1895 NE2 HIS A 118 18.191 16.393 -10.199 1.00 0.00 N ATOM 0 H HIS A 118 18.046 16.849 -5.844 1.00 0.00 H new ATOM 0 HA HIS A 118 20.665 17.935 -6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 118 17.835 18.921 -7.072 1.00 0.00 H new ATOM 0 HB3 HIS A 118 19.296 19.614 -7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 118 16.670 17.497 -9.068 1.00 0.00 H new ATOM 0 HE1 HIS A 118 20.164 15.754 -10.724 1.00 0.00 H new ATOM 0 HE2 HIS A 118 17.626 15.880 -10.876 1.00 0.00 H new