USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=38 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 28:sc= 0.511 USER MOD Set 1.2: A 100 CYS SG : rot -53:sc= -3.77! USER MOD Set 1.3: A 113 HIS :FLIP no HD1:sc= -3.11 F(o=-8.1!,f=-7.1) USER MOD Set 1.4: A 114 MET CE :methyl -114:sc= -0.86 (180deg=-0.495) USER MOD Set 1.5: A 118 HIS : no HD1:sc= 0.0998 K(o=-7.1,f=-10) USER MOD Set 2.1: A 69 CYS SG : rot -130:sc= 0.227 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 72 CYS SG : rot -36:sc= -1.76! USER MOD Set 2.4: A 85 HIS :FLIP no HE2:sc= -2.17 F(o=-12,f=-11) USER MOD Set 2.5: A 86 MET CE :methyl 150:sc= -2.6 (180deg=-1.99!) USER MOD Set 2.6: A 89 HIS : no HD1:sc= -4.49! C(o=-11!,f=-13!) USER MOD Set 3.1: A 38 CYS SG : rot 27:sc= -4.98! USER MOD Set 3.2: A 41 CYS SG : rot -68:sc= -2.07! USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -1.82 F(o=-10!,f=-8.9) USER MOD Set 4.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 45 TYR OH : rot 0:sc= -0.608 USER MOD Set 5.1: A 10 CYS SG : rot 161:sc= 0.279 USER MOD Set 5.2: A 12 THR OG1 : rot 90:sc= 0.118 USER MOD Set 5.3: A 13 CYS SG : rot -38:sc= -1.79 USER MOD Set 5.4: A 26 HIS : no HE2:sc= -3.34 K(o=-4.7,f=-5.7!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0649 (180deg=-0.343) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 20 LYS NZ :NH3+ -126:sc=-0.00636 (180deg=-1.06) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.25! C(o=-4.3!,f=-8.7!) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 0.942 (180deg=-0.685!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.00427 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.746 K(o=-0.75,f=-2.6!) USER MOD Single : A 58 ASN : amide:sc= -0.125 K(o=-0.13,f=-2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.195 F(o=-1.1,f=-0.2) USER MOD Single : A 75 THR OG1 : rot 36:sc= 0.103 USER MOD Single : A 80 MET CE :methyl -145:sc= -0.219 (180deg=-1.37) USER MOD Single : A 88 SER OG : rot -68:sc= 1.23 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 0:sc= -0.208 USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= -0.329 (180deg=-0.341) USER MOD Single : A 98 SER OG : rot 180:sc= 0 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=-0.57) USER MOD Single : A 103 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 105 MET CE :methyl 155:sc= -1.92! (180deg=-2.01!) USER MOD Single : A 106 GLN : amide:sc= -0.867 K(o=-0.87,f=-3.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.12) USER MOD Single : A 112 SER OG : rot 180:sc= -0.764 USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= -0.027 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.443 -7.948 34.544 1.00 0.00 N ATOM 60 CA GLY A 7 -5.199 -7.716 33.327 1.00 0.00 C ATOM 61 C GLY A 7 -4.624 -8.458 32.137 1.00 0.00 C ATOM 62 O GLY A 7 -3.591 -9.118 32.247 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.232 -8.027 33.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.216 -6.648 33.112 1.00 0.00 H new ATOM 66 N VAL A 8 -5.296 -8.352 30.995 1.00 0.00 N ATOM 67 CA VAL A 8 -4.846 -9.019 29.779 1.00 0.00 C ATOM 68 C VAL A 8 -4.102 -8.052 28.864 1.00 0.00 C ATOM 69 O VAL A 8 -4.094 -6.844 29.098 1.00 0.00 O ATOM 70 CB VAL A 8 -6.028 -9.632 29.005 1.00 0.00 C ATOM 71 CG1 VAL A 8 -6.734 -10.680 29.852 1.00 0.00 C ATOM 72 CG2 VAL A 8 -6.999 -8.546 28.568 1.00 0.00 C ATOM 0 H VAL A 8 -6.154 -7.811 30.887 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.170 -9.816 30.088 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.640 -10.122 28.112 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.566 -11.102 29.289 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.032 -11.472 30.111 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.111 -10.217 30.764 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.828 -8.997 28.023 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.382 -8.026 29.446 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.483 -7.835 27.922 1.00 0.00 H new ATOM 82 N GLU A 9 -3.479 -8.592 27.822 1.00 0.00 N ATOM 83 CA GLU A 9 -2.732 -7.777 26.872 1.00 0.00 C ATOM 84 C GLU A 9 -3.018 -8.211 25.438 1.00 0.00 C ATOM 85 O GLU A 9 -3.112 -9.404 25.145 1.00 0.00 O ATOM 86 CB GLU A 9 -1.231 -7.871 27.155 1.00 0.00 C ATOM 87 CG GLU A 9 -0.370 -7.173 26.116 1.00 0.00 C ATOM 88 CD GLU A 9 1.075 -7.032 26.554 1.00 0.00 C ATOM 89 OE1 GLU A 9 1.311 -6.812 27.760 1.00 0.00 O ATOM 90 OE2 GLU A 9 1.969 -7.142 25.689 1.00 0.00 O ATOM 0 H GLU A 9 -3.477 -9.591 27.614 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.053 -6.742 26.990 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.027 -7.438 28.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.945 -8.921 27.205 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.409 -7.733 25.182 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.782 -6.185 25.913 1.00 0.00 H new ATOM 97 N CYS A 10 -3.157 -7.235 24.547 1.00 0.00 N ATOM 98 CA CYS A 10 -3.434 -7.515 23.143 1.00 0.00 C ATOM 99 C CYS A 10 -2.138 -7.641 22.347 1.00 0.00 C ATOM 100 O CYS A 10 -1.374 -6.686 22.201 1.00 0.00 O ATOM 101 CB CYS A 10 -4.307 -6.410 22.544 1.00 0.00 C ATOM 102 SG CYS A 10 -4.627 -6.600 20.761 1.00 0.00 S ATOM 0 H CYS A 10 -3.082 -6.243 24.772 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.969 -8.463 23.086 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.260 -6.388 23.073 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.825 -5.448 22.715 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.658 -5.882 20.426 1.00 0.00 H new ATOM 107 N PRO A 11 -1.882 -8.848 21.820 1.00 0.00 N ATOM 108 CA PRO A 11 -0.680 -9.128 21.030 1.00 0.00 C ATOM 109 C PRO A 11 -0.702 -8.432 19.674 1.00 0.00 C ATOM 110 O PRO A 11 0.182 -8.641 18.842 1.00 0.00 O ATOM 111 CB PRO A 11 -0.719 -10.648 20.852 1.00 0.00 C ATOM 112 CG PRO A 11 -2.160 -11.007 20.973 1.00 0.00 C ATOM 113 CD PRO A 11 -2.748 -10.031 21.955 1.00 0.00 C ATOM 0 HA PRO A 11 0.223 -8.765 21.520 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.318 -10.943 19.883 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.121 -11.151 21.612 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.662 -10.940 20.008 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.279 -12.032 21.323 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.786 -9.798 21.718 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.734 -10.425 22.971 1.00 0.00 H new ATOM 121 N THR A 12 -1.718 -7.602 19.456 1.00 0.00 N ATOM 122 CA THR A 12 -1.856 -6.876 18.200 1.00 0.00 C ATOM 123 C THR A 12 -1.403 -5.428 18.350 1.00 0.00 C ATOM 124 O THR A 12 -0.520 -4.964 17.628 1.00 0.00 O ATOM 125 CB THR A 12 -3.311 -6.897 17.695 1.00 0.00 C ATOM 126 OG1 THR A 12 -3.872 -8.202 17.875 1.00 0.00 O ATOM 127 CG2 THR A 12 -3.380 -6.507 16.226 1.00 0.00 C ATOM 0 H THR A 12 -2.457 -7.416 20.134 1.00 0.00 H new ATOM 0 HA THR A 12 -1.220 -7.380 17.472 1.00 0.00 H new ATOM 0 HB THR A 12 -3.884 -6.172 18.273 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.299 -8.256 18.755 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.417 -6.529 15.892 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.979 -5.502 16.097 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.794 -7.210 15.635 1.00 0.00 H new ATOM 135 N CYS A 13 -2.013 -4.717 19.293 1.00 0.00 N ATOM 136 CA CYS A 13 -1.673 -3.321 19.539 1.00 0.00 C ATOM 137 C CYS A 13 -1.110 -3.138 20.946 1.00 0.00 C ATOM 138 O CYS A 13 -1.024 -2.018 21.451 1.00 0.00 O ATOM 139 CB CYS A 13 -2.905 -2.433 19.351 1.00 0.00 C ATOM 140 SG CYS A 13 -4.317 -2.889 20.408 1.00 0.00 S ATOM 0 H CYS A 13 -2.746 -5.085 19.899 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.909 -3.027 18.820 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.629 -1.399 19.557 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.216 -2.478 18.307 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.388 -4.184 20.502 1.00 0.00 H new ATOM 145 N HIS A 14 -0.727 -4.245 21.573 1.00 0.00 N ATOM 146 CA HIS A 14 -0.171 -4.208 22.921 1.00 0.00 C ATOM 147 C HIS A 14 -1.084 -3.428 23.863 1.00 0.00 C ATOM 148 O HIS A 14 -0.624 -2.828 24.835 1.00 0.00 O ATOM 149 CB HIS A 14 1.222 -3.577 22.903 1.00 0.00 C ATOM 150 CG HIS A 14 2.254 -4.423 22.224 1.00 0.00 C ATOM 151 ND1 HIS A 14 2.514 -5.728 22.584 1.00 0.00 N ATOM 152 CD2 HIS A 14 3.092 -4.143 21.198 1.00 0.00 C ATOM 153 CE1 HIS A 14 3.469 -6.214 21.812 1.00 0.00 C ATOM 154 NE2 HIS A 14 3.837 -5.272 20.962 1.00 0.00 N ATOM 0 H HIS A 14 -0.791 -5.179 21.169 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.093 -5.233 23.285 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.168 -2.611 22.400 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.538 -3.386 23.928 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.161 -3.206 20.665 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.879 -7.212 21.866 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.558 -5.368 20.247 1.00 0.00 H new ATOM 162 N LYS A 15 -2.379 -3.442 23.569 1.00 0.00 N ATOM 163 CA LYS A 15 -3.358 -2.737 24.389 1.00 0.00 C ATOM 164 C LYS A 15 -3.924 -3.655 25.468 1.00 0.00 C ATOM 165 O LYS A 15 -4.616 -4.628 25.170 1.00 0.00 O ATOM 166 CB LYS A 15 -4.493 -2.198 23.516 1.00 0.00 C ATOM 167 CG LYS A 15 -5.444 -1.274 24.256 1.00 0.00 C ATOM 168 CD LYS A 15 -6.163 -0.334 23.303 1.00 0.00 C ATOM 169 CE LYS A 15 -5.238 0.764 22.799 1.00 0.00 C ATOM 170 NZ LYS A 15 -4.821 1.683 23.894 1.00 0.00 N ATOM 0 H LYS A 15 -2.776 -3.934 22.769 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.854 -1.901 24.874 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.065 -1.662 22.669 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.058 -3.037 23.110 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.176 -1.867 24.805 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.889 -0.693 24.992 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.552 -0.900 22.457 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.019 0.113 23.808 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.354 0.315 22.345 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.742 1.334 22.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.458 2.568 23.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.639 1.892 24.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.075 1.232 24.461 1.00 0.00 H new ATOM 184 N LYS A 16 -3.627 -3.337 26.724 1.00 0.00 N ATOM 185 CA LYS A 16 -4.109 -4.130 27.849 1.00 0.00 C ATOM 186 C LYS A 16 -5.540 -3.748 28.211 1.00 0.00 C ATOM 187 O LYS A 16 -6.024 -2.682 27.830 1.00 0.00 O ATOM 188 CB LYS A 16 -3.196 -3.939 29.062 1.00 0.00 C ATOM 189 CG LYS A 16 -1.815 -4.545 28.886 1.00 0.00 C ATOM 190 CD LYS A 16 -1.199 -4.926 30.222 1.00 0.00 C ATOM 191 CE LYS A 16 0.315 -4.783 30.199 1.00 0.00 C ATOM 192 NZ LYS A 16 0.934 -5.224 31.479 1.00 0.00 N ATOM 0 H LYS A 16 -3.055 -2.535 26.988 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.096 -5.179 27.554 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.093 -2.873 29.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.670 -4.384 29.937 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.882 -5.428 28.250 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.167 -3.833 28.375 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.613 -4.295 31.008 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.465 -5.955 30.466 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.723 -5.371 29.377 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.578 -3.743 30.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.966 -5.111 31.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.564 -4.646 32.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.704 -6.224 31.649 1.00 0.00 H new ATOM 206 N PHE A 17 -6.213 -4.625 28.948 1.00 0.00 N ATOM 207 CA PHE A 17 -7.590 -4.379 29.362 1.00 0.00 C ATOM 208 C PHE A 17 -7.840 -4.919 30.767 1.00 0.00 C ATOM 209 O PHE A 17 -7.013 -5.642 31.324 1.00 0.00 O ATOM 210 CB PHE A 17 -8.565 -5.024 28.375 1.00 0.00 C ATOM 211 CG PHE A 17 -8.543 -4.391 27.012 1.00 0.00 C ATOM 212 CD1 PHE A 17 -7.578 -4.747 26.084 1.00 0.00 C ATOM 213 CD2 PHE A 17 -9.489 -3.441 26.660 1.00 0.00 C ATOM 214 CE1 PHE A 17 -7.556 -4.167 24.829 1.00 0.00 C ATOM 215 CE2 PHE A 17 -9.472 -2.859 25.407 1.00 0.00 C ATOM 216 CZ PHE A 17 -8.504 -3.221 24.491 1.00 0.00 C ATOM 0 H PHE A 17 -5.828 -5.512 29.271 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.753 -3.301 29.371 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.325 -6.083 28.279 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.575 -4.961 28.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.834 -5.486 26.344 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.247 -3.153 27.373 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.799 -4.453 24.114 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.216 -2.121 25.144 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.488 -2.765 23.512 1.00 0.00 H new ATOM 226 N LEU A 18 -8.987 -4.562 31.336 1.00 0.00 N ATOM 227 CA LEU A 18 -9.348 -5.010 32.676 1.00 0.00 C ATOM 228 C LEU A 18 -9.444 -6.531 32.735 1.00 0.00 C ATOM 229 O LEU A 18 -8.812 -7.172 33.574 1.00 0.00 O ATOM 230 CB LEU A 18 -10.678 -4.386 33.103 1.00 0.00 C ATOM 231 CG LEU A 18 -10.625 -2.919 33.529 1.00 0.00 C ATOM 232 CD1 LEU A 18 -10.223 -2.037 32.357 1.00 0.00 C ATOM 233 CD2 LEU A 18 -11.967 -2.479 34.095 1.00 0.00 C ATOM 0 H LEU A 18 -9.682 -3.964 30.890 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.566 -4.688 33.363 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.382 -4.478 32.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.081 -4.970 33.931 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.872 -2.814 34.310 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.191 -0.996 32.679 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.239 -2.336 31.997 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.951 -2.145 31.553 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.911 -1.432 34.393 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.739 -2.599 33.335 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.214 -3.090 34.963 1.00 0.00 H new ATOM 245 N SER A 19 -10.239 -7.104 31.836 1.00 0.00 N ATOM 246 CA SER A 19 -10.420 -8.550 31.787 1.00 0.00 C ATOM 247 C SER A 19 -10.621 -9.023 30.350 1.00 0.00 C ATOM 248 O SER A 19 -10.848 -8.220 29.445 1.00 0.00 O ATOM 249 CB SER A 19 -11.617 -8.965 32.644 1.00 0.00 C ATOM 250 OG SER A 19 -11.671 -10.373 32.797 1.00 0.00 O ATOM 0 H SER A 19 -10.768 -6.589 31.132 1.00 0.00 H new ATOM 0 HA SER A 19 -9.519 -9.018 32.183 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.548 -8.492 33.624 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.539 -8.611 32.183 1.00 0.00 H new ATOM 0 HG SER A 19 -12.444 -10.613 33.350 1.00 0.00 H new ATOM 256 N LYS A 20 -10.534 -10.334 30.148 1.00 0.00 N ATOM 257 CA LYS A 20 -10.707 -10.917 28.823 1.00 0.00 C ATOM 258 C LYS A 20 -11.893 -10.286 28.101 1.00 0.00 C ATOM 259 O LYS A 20 -11.745 -9.726 27.015 1.00 0.00 O ATOM 260 CB LYS A 20 -10.909 -12.430 28.932 1.00 0.00 C ATOM 261 CG LYS A 20 -9.638 -13.190 29.271 1.00 0.00 C ATOM 262 CD LYS A 20 -9.196 -12.929 30.701 1.00 0.00 C ATOM 263 CE LYS A 20 -8.276 -14.028 31.210 1.00 0.00 C ATOM 264 NZ LYS A 20 -6.977 -14.045 30.482 1.00 0.00 N ATOM 0 H LYS A 20 -10.345 -11.013 30.886 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.805 -10.717 28.245 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.659 -12.634 29.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.305 -12.804 27.988 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.803 -14.258 29.130 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.844 -12.897 28.585 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.682 -11.969 30.755 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.072 -12.858 31.346 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.094 -13.885 32.275 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.768 -14.994 31.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.805 -14.997 30.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.008 -13.359 29.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.209 -13.791 31.136 1.00 0.00 H new ATOM 278 N TYR A 21 -13.069 -10.380 28.712 1.00 0.00 N ATOM 279 CA TYR A 21 -14.281 -9.819 28.126 1.00 0.00 C ATOM 280 C TYR A 21 -13.965 -8.568 27.313 1.00 0.00 C ATOM 281 O TYR A 21 -14.218 -8.515 26.109 1.00 0.00 O ATOM 282 CB TYR A 21 -15.295 -9.486 29.222 1.00 0.00 C ATOM 283 CG TYR A 21 -16.403 -8.565 28.762 1.00 0.00 C ATOM 284 CD1 TYR A 21 -17.150 -8.857 27.628 1.00 0.00 C ATOM 285 CD2 TYR A 21 -16.702 -7.403 29.463 1.00 0.00 C ATOM 286 CE1 TYR A 21 -18.163 -8.018 27.205 1.00 0.00 C ATOM 287 CE2 TYR A 21 -17.714 -6.559 29.047 1.00 0.00 C ATOM 288 CZ TYR A 21 -18.441 -6.871 27.917 1.00 0.00 C ATOM 289 OH TYR A 21 -19.449 -6.033 27.499 1.00 0.00 O ATOM 0 H TYR A 21 -13.209 -10.839 29.612 1.00 0.00 H new ATOM 0 HA TYR A 21 -14.710 -10.565 27.457 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -15.734 -10.412 29.593 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -14.773 -9.023 30.060 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -16.935 -9.755 27.068 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -16.134 -7.155 30.348 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -18.734 -8.260 26.321 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -17.935 -5.660 29.604 1.00 0.00 H new ATOM 0 HH TYR A 21 -19.516 -5.271 28.111 1.00 0.00 H new ATOM 299 N TYR A 22 -13.409 -7.562 27.979 1.00 0.00 N ATOM 300 CA TYR A 22 -13.058 -6.310 27.320 1.00 0.00 C ATOM 301 C TYR A 22 -12.130 -6.559 26.135 1.00 0.00 C ATOM 302 O TYR A 22 -12.339 -6.024 25.045 1.00 0.00 O ATOM 303 CB TYR A 22 -12.391 -5.356 28.313 1.00 0.00 C ATOM 304 CG TYR A 22 -13.353 -4.745 29.306 1.00 0.00 C ATOM 305 CD1 TYR A 22 -14.333 -3.851 28.893 1.00 0.00 C ATOM 306 CD2 TYR A 22 -13.282 -5.061 30.657 1.00 0.00 C ATOM 307 CE1 TYR A 22 -15.214 -3.289 29.797 1.00 0.00 C ATOM 308 CE2 TYR A 22 -14.160 -4.506 31.568 1.00 0.00 C ATOM 309 CZ TYR A 22 -15.124 -3.620 31.133 1.00 0.00 C ATOM 310 OH TYR A 22 -15.999 -3.064 32.037 1.00 0.00 O ATOM 0 H TYR A 22 -13.192 -7.589 28.975 1.00 0.00 H new ATOM 0 HA TYR A 22 -13.976 -5.854 26.949 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.615 -5.895 28.856 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.897 -4.557 27.760 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.407 -3.591 27.847 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.527 -5.753 31.001 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -15.969 -2.594 29.459 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.092 -4.764 32.614 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.801 -3.403 32.935 1.00 0.00 H new ATOM 320 N LEU A 23 -11.105 -7.374 26.356 1.00 0.00 N ATOM 321 CA LEU A 23 -10.144 -7.697 25.306 1.00 0.00 C ATOM 322 C LEU A 23 -10.854 -8.199 24.053 1.00 0.00 C ATOM 323 O LEU A 23 -10.586 -7.733 22.946 1.00 0.00 O ATOM 324 CB LEU A 23 -9.153 -8.751 25.802 1.00 0.00 C ATOM 325 CG LEU A 23 -8.168 -9.287 24.762 1.00 0.00 C ATOM 326 CD1 LEU A 23 -7.241 -8.179 24.285 1.00 0.00 C ATOM 327 CD2 LEU A 23 -7.365 -10.445 25.336 1.00 0.00 C ATOM 0 H LEU A 23 -10.917 -7.823 27.252 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.600 -6.787 25.052 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.583 -8.325 26.628 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.718 -9.591 26.205 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.735 -9.653 23.906 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.547 -8.578 23.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.830 -7.380 23.835 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.681 -7.784 25.132 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.669 -10.814 24.583 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.808 -10.104 26.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.042 -11.247 25.629 1.00 0.00 H new ATOM 339 N LYS A 24 -11.763 -9.151 24.236 1.00 0.00 N ATOM 340 CA LYS A 24 -12.516 -9.715 23.122 1.00 0.00 C ATOM 341 C LYS A 24 -13.219 -8.618 22.330 1.00 0.00 C ATOM 342 O LYS A 24 -12.892 -8.368 21.170 1.00 0.00 O ATOM 343 CB LYS A 24 -13.542 -10.728 23.633 1.00 0.00 C ATOM 344 CG LYS A 24 -13.015 -11.621 24.743 1.00 0.00 C ATOM 345 CD LYS A 24 -11.709 -12.290 24.348 1.00 0.00 C ATOM 346 CE LYS A 24 -11.950 -13.645 23.702 1.00 0.00 C ATOM 347 NZ LYS A 24 -10.752 -14.128 22.962 1.00 0.00 N ATOM 0 H LYS A 24 -11.996 -9.548 25.146 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.813 -10.222 22.461 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.420 -10.192 23.995 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.870 -11.352 22.801 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.863 -11.030 25.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.757 -12.383 24.982 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.165 -11.647 23.656 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.081 -12.413 25.230 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.219 -14.370 24.470 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.796 -13.576 23.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.957 -15.054 22.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.510 -13.449 22.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.951 -14.219 23.619 1.00 0.00 H new ATOM 361 N VAL A 25 -14.188 -7.965 22.964 1.00 0.00 N ATOM 362 CA VAL A 25 -14.936 -6.892 22.319 1.00 0.00 C ATOM 363 C VAL A 25 -14.010 -5.973 21.531 1.00 0.00 C ATOM 364 O VAL A 25 -14.358 -5.504 20.447 1.00 0.00 O ATOM 365 CB VAL A 25 -15.718 -6.056 23.349 1.00 0.00 C ATOM 366 CG1 VAL A 25 -16.419 -4.890 22.669 1.00 0.00 C ATOM 367 CG2 VAL A 25 -16.717 -6.928 24.095 1.00 0.00 C ATOM 0 H VAL A 25 -14.473 -8.160 23.924 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.641 -7.364 21.635 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.012 -5.651 24.074 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.966 -4.311 23.413 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.679 -4.253 22.185 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.115 -5.270 21.921 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.261 -6.321 24.819 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.421 -7.364 23.386 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.186 -7.725 24.616 1.00 0.00 H new ATOM 377 N HIS A 26 -12.828 -5.718 22.084 1.00 0.00 N ATOM 378 CA HIS A 26 -11.850 -4.854 21.432 1.00 0.00 C ATOM 379 C HIS A 26 -11.277 -5.525 20.187 1.00 0.00 C ATOM 380 O HIS A 26 -11.412 -5.013 19.076 1.00 0.00 O ATOM 381 CB HIS A 26 -10.721 -4.504 22.402 1.00 0.00 C ATOM 382 CG HIS A 26 -9.402 -4.280 21.729 1.00 0.00 C ATOM 383 ND1 HIS A 26 -8.979 -3.042 21.294 1.00 0.00 N ATOM 384 CD2 HIS A 26 -8.408 -5.145 21.419 1.00 0.00 C ATOM 385 CE1 HIS A 26 -7.783 -3.155 20.745 1.00 0.00 C ATOM 386 NE2 HIS A 26 -7.414 -4.421 20.808 1.00 0.00 N ATOM 0 H HIS A 26 -12.525 -6.097 22.981 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.356 -3.937 21.129 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.994 -3.606 22.956 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.616 -5.308 23.130 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -9.507 -2.174 21.382 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.399 -6.207 21.616 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.205 -2.349 20.317 1.00 0.00 H new ATOM 394 N ASN A 27 -10.636 -6.673 20.381 1.00 0.00 N ATOM 395 CA ASN A 27 -10.042 -7.413 19.274 1.00 0.00 C ATOM 396 C ASN A 27 -10.950 -7.383 18.049 1.00 0.00 C ATOM 397 O ASN A 27 -10.491 -7.165 16.928 1.00 0.00 O ATOM 398 CB ASN A 27 -9.773 -8.862 19.687 1.00 0.00 C ATOM 399 CG ASN A 27 -10.922 -9.786 19.336 1.00 0.00 C ATOM 400 OD1 ASN A 27 -11.691 -10.197 20.205 1.00 0.00 O ATOM 401 ND2 ASN A 27 -11.044 -10.119 18.056 1.00 0.00 N ATOM 0 H ASN A 27 -10.515 -7.111 21.294 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.098 -6.934 19.016 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.865 -9.214 19.197 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.592 -8.903 20.761 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.798 -10.739 17.760 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.384 -9.755 17.369 1.00 0.00 H new ATOM 543 N PHE A 36 -8.980 -14.408 8.322 1.00 0.00 N ATOM 544 CA PHE A 36 -7.789 -15.247 8.384 1.00 0.00 C ATOM 545 C PHE A 36 -6.839 -14.927 7.234 1.00 0.00 C ATOM 546 O PHE A 36 -7.181 -15.104 6.065 1.00 0.00 O ATOM 547 CB PHE A 36 -8.179 -16.726 8.343 1.00 0.00 C ATOM 548 CG PHE A 36 -9.272 -17.085 9.307 1.00 0.00 C ATOM 549 CD1 PHE A 36 -8.986 -17.322 10.642 1.00 0.00 C ATOM 550 CD2 PHE A 36 -10.586 -17.185 8.880 1.00 0.00 C ATOM 551 CE1 PHE A 36 -9.991 -17.653 11.532 1.00 0.00 C ATOM 552 CE2 PHE A 36 -11.595 -17.515 9.765 1.00 0.00 C ATOM 553 CZ PHE A 36 -11.297 -17.749 11.093 1.00 0.00 C ATOM 0 HA PHE A 36 -7.277 -15.040 9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.499 -16.981 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.299 -17.332 8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.967 -17.247 10.991 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.825 -17.003 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.755 -17.836 12.570 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.615 -17.590 9.418 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.084 -18.007 11.787 1.00 0.00 H new ATOM 563 N GLU A 37 -5.644 -14.456 7.575 1.00 0.00 N ATOM 564 CA GLU A 37 -4.644 -14.110 6.571 1.00 0.00 C ATOM 565 C GLU A 37 -3.333 -14.844 6.833 1.00 0.00 C ATOM 566 O GLU A 37 -2.983 -15.123 7.980 1.00 0.00 O ATOM 567 CB GLU A 37 -4.402 -12.599 6.559 1.00 0.00 C ATOM 568 CG GLU A 37 -3.319 -12.164 5.586 1.00 0.00 C ATOM 569 CD GLU A 37 -3.427 -10.699 5.209 1.00 0.00 C ATOM 570 OE1 GLU A 37 -2.877 -9.854 5.945 1.00 0.00 O ATOM 571 OE2 GLU A 37 -4.063 -10.399 4.177 1.00 0.00 O ATOM 0 H GLU A 37 -5.344 -14.305 8.538 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.024 -14.417 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.333 -12.092 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.128 -12.275 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.341 -12.350 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.380 -12.773 4.684 1.00 0.00 H new ATOM 578 N CYS A 38 -2.611 -15.156 5.762 1.00 0.00 N ATOM 579 CA CYS A 38 -1.339 -15.859 5.874 1.00 0.00 C ATOM 580 C CYS A 38 -0.312 -15.009 6.617 1.00 0.00 C ATOM 581 O CYS A 38 0.112 -13.952 6.149 1.00 0.00 O ATOM 582 CB CYS A 38 -0.808 -16.221 4.485 1.00 0.00 C ATOM 583 SG CYS A 38 0.328 -17.644 4.472 1.00 0.00 S ATOM 0 H CYS A 38 -2.886 -14.933 4.805 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.507 -16.774 6.441 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.652 -16.437 3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.294 -15.355 4.067 1.00 0.00 H new ATOM 0 HG CYS A 38 0.059 -18.423 5.477 1.00 0.00 H new ATOM 588 N PRO A 39 0.099 -15.481 7.804 1.00 0.00 N ATOM 589 CA PRO A 39 1.081 -14.781 8.637 1.00 0.00 C ATOM 590 C PRO A 39 2.480 -14.810 8.031 1.00 0.00 C ATOM 591 O PRO A 39 3.382 -14.108 8.490 1.00 0.00 O ATOM 592 CB PRO A 39 1.051 -15.563 9.953 1.00 0.00 C ATOM 593 CG PRO A 39 0.586 -16.926 9.573 1.00 0.00 C ATOM 594 CD PRO A 39 -0.365 -16.734 8.423 1.00 0.00 C ATOM 0 HA PRO A 39 0.842 -13.723 8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.037 -15.596 10.416 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.376 -15.101 10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.426 -17.558 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.091 -17.417 10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.323 -17.568 7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.397 -16.656 8.764 1.00 0.00 H new ATOM 602 N LYS A 40 2.656 -15.626 6.998 1.00 0.00 N ATOM 603 CA LYS A 40 3.945 -15.746 6.327 1.00 0.00 C ATOM 604 C LYS A 40 4.091 -14.690 5.237 1.00 0.00 C ATOM 605 O LYS A 40 5.122 -14.023 5.139 1.00 0.00 O ATOM 606 CB LYS A 40 4.100 -17.144 5.722 1.00 0.00 C ATOM 607 CG LYS A 40 3.846 -18.267 6.712 1.00 0.00 C ATOM 608 CD LYS A 40 2.417 -18.776 6.624 1.00 0.00 C ATOM 609 CE LYS A 40 2.212 -20.014 7.482 1.00 0.00 C ATOM 610 NZ LYS A 40 0.825 -20.095 8.017 1.00 0.00 N ATOM 0 H LYS A 40 1.921 -16.215 6.606 1.00 0.00 H new ATOM 0 HA LYS A 40 4.729 -15.588 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.410 -17.247 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.108 -17.247 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.538 -19.087 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.046 -17.913 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.730 -17.992 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.175 -19.007 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.426 -20.905 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.921 -20.003 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.594 -21.085 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.753 -19.525 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.157 -19.732 7.307 1.00 0.00 H new ATOM 624 N CYS A 41 3.054 -14.540 4.421 1.00 0.00 N ATOM 625 CA CYS A 41 3.066 -13.563 3.338 1.00 0.00 C ATOM 626 C CYS A 41 2.076 -12.435 3.612 1.00 0.00 C ATOM 627 O CYS A 41 2.406 -11.258 3.473 1.00 0.00 O ATOM 628 CB CYS A 41 2.729 -14.241 2.008 1.00 0.00 C ATOM 629 SG CYS A 41 1.079 -15.012 1.964 1.00 0.00 S ATOM 0 H CYS A 41 2.193 -15.083 4.489 1.00 0.00 H new ATOM 0 HA CYS A 41 4.067 -13.137 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.795 -13.503 1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 41 3.480 -15.003 1.800 1.00 0.00 H new ATOM 0 HG CYS A 41 1.054 -16.030 2.772 1.00 0.00 H new ATOM 634 N GLY A 42 0.860 -12.804 4.003 1.00 0.00 N ATOM 635 CA GLY A 42 -0.159 -11.812 4.291 1.00 0.00 C ATOM 636 C GLY A 42 -1.295 -11.840 3.288 1.00 0.00 C ATOM 637 O GLY A 42 -1.818 -10.794 2.901 1.00 0.00 O ATOM 0 H GLY A 42 0.563 -13.772 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.557 -11.984 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.294 -10.821 4.295 1.00 0.00 H new ATOM 641 N LYS A 43 -1.678 -13.039 2.863 1.00 0.00 N ATOM 642 CA LYS A 43 -2.759 -13.201 1.898 1.00 0.00 C ATOM 643 C LYS A 43 -4.070 -13.537 2.601 1.00 0.00 C ATOM 644 O LYS A 43 -4.180 -14.562 3.274 1.00 0.00 O ATOM 645 CB LYS A 43 -2.411 -14.300 0.891 1.00 0.00 C ATOM 646 CG LYS A 43 -3.460 -14.486 -0.192 1.00 0.00 C ATOM 647 CD LYS A 43 -3.381 -13.388 -1.239 1.00 0.00 C ATOM 648 CE LYS A 43 -3.955 -13.846 -2.571 1.00 0.00 C ATOM 649 NZ LYS A 43 -2.933 -14.531 -3.410 1.00 0.00 N ATOM 0 H LYS A 43 -1.255 -13.914 3.172 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.883 -12.257 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.456 -14.063 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.280 -15.242 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.323 -15.456 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.453 -14.490 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.925 -12.511 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.342 -13.086 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.791 -14.522 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.351 -12.986 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.364 -14.828 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.147 -13.878 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.574 -15.367 -2.906 1.00 0.00 H new ATOM 663 N CYS A 44 -5.062 -12.668 2.439 1.00 0.00 N ATOM 664 CA CYS A 44 -6.367 -12.873 3.058 1.00 0.00 C ATOM 665 C CYS A 44 -7.187 -13.890 2.271 1.00 0.00 C ATOM 666 O CYS A 44 -6.934 -14.127 1.090 1.00 0.00 O ATOM 667 CB CYS A 44 -7.125 -11.548 3.149 1.00 0.00 C ATOM 668 SG CYS A 44 -7.520 -10.812 1.545 1.00 0.00 S ATOM 0 H CYS A 44 -4.988 -11.815 1.885 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.208 -13.262 4.064 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.051 -11.709 3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.529 -10.840 3.725 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.163 -9.696 1.726 1.00 0.00 H new ATOM 674 N TYR A 45 -8.170 -14.489 2.935 1.00 0.00 N ATOM 675 CA TYR A 45 -9.026 -15.483 2.299 1.00 0.00 C ATOM 676 C TYR A 45 -10.323 -15.666 3.081 1.00 0.00 C ATOM 677 O TYR A 45 -10.324 -16.210 4.186 1.00 0.00 O ATOM 678 CB TYR A 45 -8.292 -16.821 2.187 1.00 0.00 C ATOM 679 CG TYR A 45 -7.264 -16.856 1.078 1.00 0.00 C ATOM 680 CD1 TYR A 45 -7.623 -16.590 -0.237 1.00 0.00 C ATOM 681 CD2 TYR A 45 -5.935 -17.157 1.346 1.00 0.00 C ATOM 682 CE1 TYR A 45 -6.688 -16.621 -1.254 1.00 0.00 C ATOM 683 CE2 TYR A 45 -4.993 -17.190 0.337 1.00 0.00 C ATOM 684 CZ TYR A 45 -5.374 -16.922 -0.961 1.00 0.00 C ATOM 685 OH TYR A 45 -4.438 -16.955 -1.970 1.00 0.00 O ATOM 0 H TYR A 45 -8.393 -14.303 3.913 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.273 -15.126 1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.799 -17.036 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.022 -17.613 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.651 -16.355 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.633 -17.369 2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.984 -16.411 -2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.963 -17.424 0.563 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.870 -16.744 -2.824 1.00 0.00 H new ATOM 695 N PHE A 46 -11.427 -15.209 2.500 1.00 0.00 N ATOM 696 CA PHE A 46 -12.732 -15.321 3.141 1.00 0.00 C ATOM 697 C PHE A 46 -12.887 -16.676 3.824 1.00 0.00 C ATOM 698 O PHE A 46 -13.079 -16.753 5.038 1.00 0.00 O ATOM 699 CB PHE A 46 -13.847 -15.124 2.113 1.00 0.00 C ATOM 700 CG PHE A 46 -15.104 -14.543 2.696 1.00 0.00 C ATOM 701 CD1 PHE A 46 -15.104 -13.274 3.251 1.00 0.00 C ATOM 702 CD2 PHE A 46 -16.285 -15.268 2.690 1.00 0.00 C ATOM 703 CE1 PHE A 46 -16.259 -12.737 3.788 1.00 0.00 C ATOM 704 CE2 PHE A 46 -17.443 -14.736 3.225 1.00 0.00 C ATOM 705 CZ PHE A 46 -17.430 -13.470 3.776 1.00 0.00 C ATOM 0 H PHE A 46 -11.444 -14.757 1.586 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.805 -14.541 3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.487 -14.469 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -14.080 -16.084 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.191 -12.697 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.301 -16.260 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.246 -11.746 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -18.358 -15.310 3.212 1.00 0.00 H new ATOM 0 HZ PHE A 46 -18.333 -13.054 4.197 1.00 0.00 H new ATOM 715 N ARG A 47 -12.804 -17.742 3.035 1.00 0.00 N ATOM 716 CA ARG A 47 -12.938 -19.095 3.563 1.00 0.00 C ATOM 717 C ARG A 47 -11.571 -19.685 3.898 1.00 0.00 C ATOM 718 O ARG A 47 -10.710 -19.819 3.028 1.00 0.00 O ATOM 719 CB ARG A 47 -13.658 -19.990 2.553 1.00 0.00 C ATOM 720 CG ARG A 47 -15.102 -19.587 2.303 1.00 0.00 C ATOM 721 CD ARG A 47 -15.984 -19.902 3.501 1.00 0.00 C ATOM 722 NE ARG A 47 -16.392 -21.305 3.526 1.00 0.00 N ATOM 723 CZ ARG A 47 -16.744 -21.948 4.633 1.00 0.00 C ATOM 724 NH1 ARG A 47 -16.738 -21.318 5.800 1.00 0.00 N ATOM 725 NH2 ARG A 47 -17.103 -23.224 4.575 1.00 0.00 N ATOM 0 H ARG A 47 -12.645 -17.695 2.029 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.527 -19.045 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.115 -19.968 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.634 -21.019 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.150 -18.520 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.480 -20.110 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.447 -19.664 4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.870 -19.267 3.476 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.407 -21.818 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.463 -20.337 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.009 -21.814 6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.109 -23.712 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.373 -23.717 5.426 1.00 0.00 H new ATOM 739 N LYS A 48 -11.379 -20.037 5.164 1.00 0.00 N ATOM 740 CA LYS A 48 -10.118 -20.613 5.616 1.00 0.00 C ATOM 741 C LYS A 48 -9.648 -21.708 4.663 1.00 0.00 C ATOM 742 O LYS A 48 -8.479 -21.751 4.282 1.00 0.00 O ATOM 743 CB LYS A 48 -10.270 -21.182 7.028 1.00 0.00 C ATOM 744 CG LYS A 48 -8.947 -21.400 7.742 1.00 0.00 C ATOM 745 CD LYS A 48 -9.156 -21.795 9.195 1.00 0.00 C ATOM 746 CE LYS A 48 -7.863 -21.699 9.990 1.00 0.00 C ATOM 747 NZ LYS A 48 -7.836 -22.664 11.123 1.00 0.00 N ATOM 0 H LYS A 48 -12.081 -19.933 5.896 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.370 -19.821 5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.885 -20.504 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.804 -22.131 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.380 -22.178 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.352 -20.488 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.909 -21.148 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.540 -22.814 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.016 -21.889 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.747 -20.685 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.939 -22.567 11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.629 -22.467 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.921 -23.633 10.756 1.00 0.00 H new ATOM 761 N GLU A 49 -10.568 -22.589 4.282 1.00 0.00 N ATOM 762 CA GLU A 49 -10.246 -23.683 3.373 1.00 0.00 C ATOM 763 C GLU A 49 -9.232 -23.238 2.323 1.00 0.00 C ATOM 764 O GLU A 49 -8.224 -23.905 2.096 1.00 0.00 O ATOM 765 CB GLU A 49 -11.515 -24.196 2.688 1.00 0.00 C ATOM 766 CG GLU A 49 -11.256 -25.300 1.676 1.00 0.00 C ATOM 767 CD GLU A 49 -12.376 -25.437 0.663 1.00 0.00 C ATOM 768 OE1 GLU A 49 -12.927 -24.398 0.243 1.00 0.00 O ATOM 769 OE2 GLU A 49 -12.701 -26.584 0.290 1.00 0.00 O ATOM 0 H GLU A 49 -11.541 -22.567 4.588 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.806 -24.490 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.204 -24.565 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.009 -23.364 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.321 -25.097 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.128 -26.247 2.201 1.00 0.00 H new ATOM 776 N ASN A 50 -9.509 -22.105 1.685 1.00 0.00 N ATOM 777 CA ASN A 50 -8.622 -21.570 0.658 1.00 0.00 C ATOM 778 C ASN A 50 -7.233 -21.297 1.227 1.00 0.00 C ATOM 779 O ASN A 50 -6.234 -21.823 0.735 1.00 0.00 O ATOM 780 CB ASN A 50 -9.206 -20.285 0.069 1.00 0.00 C ATOM 781 CG ASN A 50 -10.542 -20.515 -0.610 1.00 0.00 C ATOM 782 OD1 ASN A 50 -11.579 -20.604 0.048 1.00 0.00 O ATOM 783 ND2 ASN A 50 -10.523 -20.613 -1.934 1.00 0.00 N ATOM 0 H ASN A 50 -10.340 -21.540 1.861 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.531 -22.315 -0.132 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.327 -19.547 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.503 -19.866 -0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.391 -20.768 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.640 -20.533 -2.439 1.00 0.00 H new ATOM 790 N LEU A 51 -7.178 -20.471 2.266 1.00 0.00 N ATOM 791 CA LEU A 51 -5.911 -20.128 2.904 1.00 0.00 C ATOM 792 C LEU A 51 -5.059 -21.373 3.128 1.00 0.00 C ATOM 793 O LEU A 51 -3.919 -21.449 2.667 1.00 0.00 O ATOM 794 CB LEU A 51 -6.164 -19.423 4.238 1.00 0.00 C ATOM 795 CG LEU A 51 -4.951 -19.268 5.156 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.960 -18.275 4.568 1.00 0.00 C ATOM 797 CD2 LEU A 51 -5.387 -18.829 6.546 1.00 0.00 C ATOM 0 H LEU A 51 -7.995 -20.026 2.685 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.369 -19.454 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.567 -18.432 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.934 -19.974 4.777 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.457 -20.236 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.103 -18.178 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.623 -18.630 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.442 -17.304 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.511 -18.724 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.905 -17.872 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.058 -19.576 6.970 1.00 0.00 H new ATOM 809 N LEU A 52 -5.619 -22.347 3.836 1.00 0.00 N ATOM 810 CA LEU A 52 -4.911 -23.591 4.119 1.00 0.00 C ATOM 811 C LEU A 52 -4.195 -24.106 2.874 1.00 0.00 C ATOM 812 O LEU A 52 -3.004 -24.411 2.913 1.00 0.00 O ATOM 813 CB LEU A 52 -5.887 -24.650 4.634 1.00 0.00 C ATOM 814 CG LEU A 52 -6.414 -24.443 6.054 1.00 0.00 C ATOM 815 CD1 LEU A 52 -7.608 -25.347 6.318 1.00 0.00 C ATOM 816 CD2 LEU A 52 -5.314 -24.698 7.074 1.00 0.00 C ATOM 0 H LEU A 52 -6.561 -22.300 4.225 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.165 -23.389 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.738 -24.692 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.395 -25.622 4.589 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.740 -23.407 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.969 -25.185 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.403 -25.116 5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.309 -26.389 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.707 -24.546 8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.957 -25.723 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.489 -24.008 6.899 1.00 0.00 H new ATOM 828 N GLU A 53 -4.930 -24.197 1.770 1.00 0.00 N ATOM 829 CA GLU A 53 -4.364 -24.673 0.513 1.00 0.00 C ATOM 830 C GLU A 53 -3.140 -23.850 0.121 1.00 0.00 C ATOM 831 O GLU A 53 -2.017 -24.356 0.105 1.00 0.00 O ATOM 832 CB GLU A 53 -5.412 -24.611 -0.600 1.00 0.00 C ATOM 833 CG GLU A 53 -6.655 -25.436 -0.313 1.00 0.00 C ATOM 834 CD GLU A 53 -7.741 -25.236 -1.352 1.00 0.00 C ATOM 835 OE1 GLU A 53 -7.667 -25.885 -2.418 1.00 0.00 O ATOM 836 OE2 GLU A 53 -8.663 -24.433 -1.102 1.00 0.00 O ATOM 0 H GLU A 53 -5.918 -23.948 1.721 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.054 -25.709 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.704 -23.572 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.963 -24.958 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.385 -26.491 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.044 -25.170 0.670 1.00 0.00 H new ATOM 843 N HIS A 54 -3.365 -22.579 -0.194 1.00 0.00 N ATOM 844 CA HIS A 54 -2.282 -21.685 -0.586 1.00 0.00 C ATOM 845 C HIS A 54 -1.022 -21.968 0.227 1.00 0.00 C ATOM 846 O HIS A 54 0.068 -22.099 -0.327 1.00 0.00 O ATOM 847 CB HIS A 54 -2.704 -20.227 -0.403 1.00 0.00 C ATOM 848 CG HIS A 54 -1.572 -19.318 -0.031 1.00 0.00 C ATOM 849 ND1 HIS A 54 -0.925 -19.145 1.145 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -0.981 -18.449 -0.924 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 0.036 -18.185 0.943 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -0.018 -17.782 -0.314 1.00 0.00 N flip ATOM 0 H HIS A 54 -4.288 -22.145 -0.185 1.00 0.00 H new ATOM 0 HA HIS A 54 -2.061 -21.862 -1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.157 -19.870 -1.328 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.471 -20.174 0.370 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.262 -18.332 -1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.724 -17.819 1.690 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.582 -17.076 -0.741 1.00 0.00 H new ATOM 860 N GLU A 55 -1.182 -22.061 1.543 1.00 0.00 N ATOM 861 CA GLU A 55 -0.057 -22.328 2.432 1.00 0.00 C ATOM 862 C GLU A 55 0.806 -23.464 1.891 1.00 0.00 C ATOM 863 O GLU A 55 2.034 -23.385 1.903 1.00 0.00 O ATOM 864 CB GLU A 55 -0.558 -22.676 3.835 1.00 0.00 C ATOM 865 CG GLU A 55 -1.374 -21.570 4.482 1.00 0.00 C ATOM 866 CD GLU A 55 -0.507 -20.499 5.115 1.00 0.00 C ATOM 867 OE1 GLU A 55 0.689 -20.422 4.765 1.00 0.00 O ATOM 868 OE2 GLU A 55 -1.024 -19.739 5.960 1.00 0.00 O ATOM 0 H GLU A 55 -2.079 -21.956 2.017 1.00 0.00 H new ATOM 0 HA GLU A 55 0.553 -21.426 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.165 -23.580 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.297 -22.904 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.019 -21.113 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.025 -22.001 5.242 1.00 0.00 H new ATOM 875 N ALA A 56 0.154 -24.521 1.418 1.00 0.00 N ATOM 876 CA ALA A 56 0.860 -25.673 0.872 1.00 0.00 C ATOM 877 C ALA A 56 1.180 -25.471 -0.606 1.00 0.00 C ATOM 878 O ALA A 56 2.313 -25.680 -1.039 1.00 0.00 O ATOM 879 CB ALA A 56 0.037 -26.938 1.067 1.00 0.00 C ATOM 0 H ALA A 56 -0.863 -24.603 1.402 1.00 0.00 H new ATOM 0 HA ALA A 56 1.802 -25.779 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.577 -27.790 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.136 -27.099 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.920 -26.832 0.555 1.00 0.00 H new ATOM 885 N ARG A 57 0.175 -25.063 -1.374 1.00 0.00 N ATOM 886 CA ARG A 57 0.350 -24.835 -2.803 1.00 0.00 C ATOM 887 C ARG A 57 1.508 -23.876 -3.063 1.00 0.00 C ATOM 888 O ARG A 57 2.482 -24.230 -3.725 1.00 0.00 O ATOM 889 CB ARG A 57 -0.937 -24.275 -3.413 1.00 0.00 C ATOM 890 CG ARG A 57 -2.112 -25.236 -3.344 1.00 0.00 C ATOM 891 CD ARG A 57 -2.003 -26.325 -4.400 1.00 0.00 C ATOM 892 NE ARG A 57 -2.443 -25.862 -5.713 1.00 0.00 N ATOM 893 CZ ARG A 57 -2.912 -26.668 -6.658 1.00 0.00 C ATOM 894 NH1 ARG A 57 -3.002 -27.972 -6.437 1.00 0.00 N ATOM 895 NH2 ARG A 57 -3.293 -26.171 -7.828 1.00 0.00 N ATOM 0 H ARG A 57 -0.769 -24.884 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 57 0.581 -25.791 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.202 -23.352 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.752 -24.015 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.154 -25.690 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.043 -24.685 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.970 -26.666 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.604 -27.183 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.387 -24.864 -5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.711 -28.358 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.363 -28.589 -7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.226 -25.168 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.653 -26.792 -8.553 1.00 0.00 H new ATOM 909 N ASN A 58 1.393 -22.661 -2.537 1.00 0.00 N ATOM 910 CA ASN A 58 2.430 -21.651 -2.713 1.00 0.00 C ATOM 911 C ASN A 58 2.232 -20.493 -1.739 1.00 0.00 C ATOM 912 O ASN A 58 1.108 -20.193 -1.334 1.00 0.00 O ATOM 913 CB ASN A 58 2.424 -21.129 -4.151 1.00 0.00 C ATOM 914 CG ASN A 58 3.728 -20.452 -4.526 1.00 0.00 C ATOM 915 OD1 ASN A 58 4.279 -19.670 -3.751 1.00 0.00 O ATOM 916 ND2 ASN A 58 4.227 -20.751 -5.720 1.00 0.00 N ATOM 0 H ASN A 58 0.592 -22.352 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 58 3.394 -22.116 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.238 -21.957 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.603 -20.423 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.102 -20.327 -6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.735 -21.405 -6.329 1.00 0.00 H new ATOM 1031 N VAL A 66 5.659 -4.365 -6.077 1.00 0.00 N ATOM 1032 CA VAL A 66 4.888 -3.431 -6.890 1.00 0.00 C ATOM 1033 C VAL A 66 4.411 -2.244 -6.061 1.00 0.00 C ATOM 1034 O VAL A 66 4.452 -2.276 -4.831 1.00 0.00 O ATOM 1035 CB VAL A 66 3.668 -4.120 -7.530 1.00 0.00 C ATOM 1036 CG1 VAL A 66 4.114 -5.202 -8.502 1.00 0.00 C ATOM 1037 CG2 VAL A 66 2.758 -4.698 -6.457 1.00 0.00 C ATOM 0 HA VAL A 66 5.551 -3.076 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 66 3.104 -3.374 -8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.238 -5.677 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.721 -4.756 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.703 -5.949 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.902 -5.181 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.310 -5.431 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.410 -3.897 -5.805 1.00 0.00 H new ATOM 1047 N PHE A 67 3.958 -1.197 -6.742 1.00 0.00 N ATOM 1048 CA PHE A 67 3.473 0.002 -6.069 1.00 0.00 C ATOM 1049 C PHE A 67 1.970 0.170 -6.274 1.00 0.00 C ATOM 1050 O PHE A 67 1.415 -0.274 -7.279 1.00 0.00 O ATOM 1051 CB PHE A 67 4.211 1.237 -6.587 1.00 0.00 C ATOM 1052 CG PHE A 67 5.684 1.223 -6.292 1.00 0.00 C ATOM 1053 CD1 PHE A 67 6.517 0.299 -6.902 1.00 0.00 C ATOM 1054 CD2 PHE A 67 6.235 2.134 -5.405 1.00 0.00 C ATOM 1055 CE1 PHE A 67 7.873 0.284 -6.634 1.00 0.00 C ATOM 1056 CE2 PHE A 67 7.590 2.123 -5.133 1.00 0.00 C ATOM 1057 CZ PHE A 67 8.410 1.196 -5.747 1.00 0.00 C ATOM 0 H PHE A 67 3.917 -1.155 -7.760 1.00 0.00 H new ATOM 0 HA PHE A 67 3.667 -0.107 -5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.065 1.312 -7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.768 2.128 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.102 -0.418 -7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.599 2.860 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.512 -0.440 -7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.008 2.839 -4.441 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.469 1.185 -5.534 1.00 0.00 H new ATOM 1067 N THR A 68 1.316 0.815 -5.312 1.00 0.00 N ATOM 1068 CA THR A 68 -0.121 1.041 -5.385 1.00 0.00 C ATOM 1069 C THR A 68 -0.440 2.529 -5.480 1.00 0.00 C ATOM 1070 O THR A 68 -0.046 3.315 -4.618 1.00 0.00 O ATOM 1071 CB THR A 68 -0.846 0.450 -4.160 1.00 0.00 C ATOM 1072 OG1 THR A 68 -0.618 -0.962 -4.091 1.00 0.00 O ATOM 1073 CG2 THR A 68 -2.340 0.725 -4.230 1.00 0.00 C ATOM 0 H THR A 68 1.760 1.190 -4.474 1.00 0.00 H new ATOM 0 HA THR A 68 -0.474 0.538 -6.285 1.00 0.00 H new ATOM 0 HB THR A 68 -0.447 0.927 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.080 -1.330 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.830 0.298 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.511 1.801 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.751 0.273 -5.132 1.00 0.00 H new ATOM 1081 N CYS A 69 -1.156 2.909 -6.532 1.00 0.00 N ATOM 1082 CA CYS A 69 -1.528 4.303 -6.741 1.00 0.00 C ATOM 1083 C CYS A 69 -2.090 4.914 -5.460 1.00 0.00 C ATOM 1084 O CYS A 69 -2.267 4.223 -4.456 1.00 0.00 O ATOM 1085 CB CYS A 69 -2.558 4.415 -7.866 1.00 0.00 C ATOM 1086 SG CYS A 69 -2.605 6.048 -8.673 1.00 0.00 S ATOM 0 H CYS A 69 -1.491 2.271 -7.254 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.631 4.854 -7.023 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.342 3.656 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.546 4.192 -7.463 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.833 6.470 -8.727 1.00 0.00 H new ATOM 1091 N SER A 70 -2.369 6.213 -5.503 1.00 0.00 N ATOM 1092 CA SER A 70 -2.908 6.917 -4.345 1.00 0.00 C ATOM 1093 C SER A 70 -4.325 7.411 -4.621 1.00 0.00 C ATOM 1094 O SER A 70 -4.926 8.100 -3.796 1.00 0.00 O ATOM 1095 CB SER A 70 -2.007 8.097 -3.975 1.00 0.00 C ATOM 1096 OG SER A 70 -2.346 9.252 -4.725 1.00 0.00 O ATOM 0 H SER A 70 -2.231 6.799 -6.326 1.00 0.00 H new ATOM 0 HA SER A 70 -2.942 6.219 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.101 8.310 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.965 7.834 -4.157 1.00 0.00 H new ATOM 0 HG SER A 70 -1.757 9.993 -4.469 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.853 7.054 -5.787 1.00 0.00 N ATOM 1103 CA VAL A 71 -6.199 7.459 -6.173 1.00 0.00 C ATOM 1104 C VAL A 71 -7.036 6.256 -6.591 1.00 0.00 C ATOM 1105 O VAL A 71 -8.175 6.094 -6.150 1.00 0.00 O ATOM 1106 CB VAL A 71 -6.170 8.477 -7.328 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -7.584 8.842 -7.755 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.389 9.719 -6.924 1.00 0.00 C ATOM 0 H VAL A 71 -4.369 6.485 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.651 7.927 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.666 8.019 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.543 9.562 -8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.106 7.945 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.117 9.280 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.379 10.428 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.862 10.180 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.366 9.440 -6.673 1.00 0.00 H new ATOM 1118 N CYS A 72 -6.465 5.413 -7.445 1.00 0.00 N ATOM 1119 CA CYS A 72 -7.158 4.223 -7.924 1.00 0.00 C ATOM 1120 C CYS A 72 -6.472 2.955 -7.423 1.00 0.00 C ATOM 1121 O CYS A 72 -6.907 1.844 -7.722 1.00 0.00 O ATOM 1122 CB CYS A 72 -7.208 4.218 -9.453 1.00 0.00 C ATOM 1123 SG CYS A 72 -5.572 4.151 -10.251 1.00 0.00 S ATOM 0 H CYS A 72 -5.524 5.532 -7.820 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.175 4.243 -7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.797 3.362 -9.784 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.729 5.114 -9.792 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.719 4.837 -9.550 1.00 0.00 H new ATOM 1128 N GLN A 73 -5.398 3.132 -6.660 1.00 0.00 N ATOM 1129 CA GLN A 73 -4.652 2.003 -6.118 1.00 0.00 C ATOM 1130 C GLN A 73 -4.137 1.104 -7.237 1.00 0.00 C ATOM 1131 O GLN A 73 -4.034 -0.111 -7.071 1.00 0.00 O ATOM 1132 CB GLN A 73 -5.532 1.195 -5.162 1.00 0.00 C ATOM 1133 CG GLN A 73 -6.234 2.045 -4.116 1.00 0.00 C ATOM 1134 CD GLN A 73 -5.332 3.113 -3.530 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -5.431 4.327 -4.059 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 -4.554 2.850 -2.612 1.00 0.00 N flip ATOM 0 H GLN A 73 -5.025 4.046 -6.403 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.796 2.395 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.281 0.654 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.917 0.449 -4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.107 2.519 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.597 1.402 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.511 1.903 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.953 3.579 -2.228 1.00 0.00 H new ATOM 1145 N GLU A 74 -3.815 1.709 -8.376 1.00 0.00 N ATOM 1146 CA GLU A 74 -3.311 0.962 -9.522 1.00 0.00 C ATOM 1147 C GLU A 74 -2.116 0.100 -9.126 1.00 0.00 C ATOM 1148 O GLU A 74 -1.754 0.019 -7.952 1.00 0.00 O ATOM 1149 CB GLU A 74 -2.914 1.918 -10.648 1.00 0.00 C ATOM 1150 CG GLU A 74 -3.240 1.393 -12.036 1.00 0.00 C ATOM 1151 CD GLU A 74 -4.551 0.633 -12.079 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -4.540 -0.586 -11.809 1.00 0.00 O ATOM 1153 OE2 GLU A 74 -5.589 1.259 -12.383 1.00 0.00 O ATOM 0 H GLU A 74 -3.894 2.714 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.108 0.308 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.423 2.871 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.844 2.115 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.285 2.228 -12.735 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.435 0.740 -12.372 1.00 0.00 H new ATOM 1160 N THR A 75 -1.506 -0.545 -10.116 1.00 0.00 N ATOM 1161 CA THR A 75 -0.353 -1.403 -9.873 1.00 0.00 C ATOM 1162 C THR A 75 0.813 -1.028 -10.781 1.00 0.00 C ATOM 1163 O THR A 75 0.667 -0.967 -12.002 1.00 0.00 O ATOM 1164 CB THR A 75 -0.701 -2.888 -10.091 1.00 0.00 C ATOM 1165 OG1 THR A 75 -1.384 -3.052 -11.339 1.00 0.00 O ATOM 1166 CG2 THR A 75 -1.571 -3.412 -8.958 1.00 0.00 C ATOM 0 H THR A 75 -1.792 -0.489 -11.094 1.00 0.00 H new ATOM 0 HA THR A 75 -0.063 -1.254 -8.833 1.00 0.00 H new ATOM 0 HB THR A 75 0.228 -3.458 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.012 -2.431 -12.000 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.804 -4.462 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.037 -3.312 -8.013 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.496 -2.838 -8.914 1.00 0.00 H new ATOM 1174 N PHE A 76 1.970 -0.777 -10.177 1.00 0.00 N ATOM 1175 CA PHE A 76 3.162 -0.407 -10.931 1.00 0.00 C ATOM 1176 C PHE A 76 4.380 -1.183 -10.438 1.00 0.00 C ATOM 1177 O PHE A 76 4.774 -1.068 -9.277 1.00 0.00 O ATOM 1178 CB PHE A 76 3.419 1.096 -10.815 1.00 0.00 C ATOM 1179 CG PHE A 76 2.183 1.931 -10.994 1.00 0.00 C ATOM 1180 CD1 PHE A 76 1.375 2.237 -9.910 1.00 0.00 C ATOM 1181 CD2 PHE A 76 1.829 2.409 -12.245 1.00 0.00 C ATOM 1182 CE1 PHE A 76 0.237 3.006 -10.071 1.00 0.00 C ATOM 1183 CE2 PHE A 76 0.693 3.178 -12.412 1.00 0.00 C ATOM 1184 CZ PHE A 76 -0.105 3.476 -11.324 1.00 0.00 C ATOM 0 H PHE A 76 2.107 -0.823 -9.167 1.00 0.00 H new ATOM 0 HA PHE A 76 2.992 -0.659 -11.978 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.853 1.308 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.157 1.389 -11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.637 1.871 -8.928 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.448 2.178 -13.100 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.383 3.239 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.429 3.546 -13.392 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.994 4.075 -11.453 1.00 0.00 H new ATOM 1194 N ARG A 77 4.972 -1.972 -11.329 1.00 0.00 N ATOM 1195 CA ARG A 77 6.144 -2.767 -10.985 1.00 0.00 C ATOM 1196 C ARG A 77 7.226 -1.897 -10.352 1.00 0.00 C ATOM 1197 O ARG A 77 7.976 -2.351 -9.488 1.00 0.00 O ATOM 1198 CB ARG A 77 6.698 -3.463 -12.230 1.00 0.00 C ATOM 1199 CG ARG A 77 7.145 -2.500 -13.318 1.00 0.00 C ATOM 1200 CD ARG A 77 5.972 -2.036 -14.167 1.00 0.00 C ATOM 1201 NE ARG A 77 6.392 -1.624 -15.503 1.00 0.00 N ATOM 1202 CZ ARG A 77 6.326 -2.412 -16.570 1.00 0.00 C ATOM 1203 NH1 ARG A 77 5.857 -3.647 -16.458 1.00 0.00 N ATOM 1204 NH2 ARG A 77 6.728 -1.965 -17.753 1.00 0.00 N ATOM 0 H ARG A 77 4.659 -2.077 -12.294 1.00 0.00 H new ATOM 0 HA ARG A 77 5.839 -3.522 -10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.543 -4.088 -11.941 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.934 -4.127 -12.635 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.631 -1.636 -12.864 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.886 -2.985 -13.953 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.243 -2.842 -14.249 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.473 -1.203 -13.671 1.00 0.00 H new ATOM 0 HE ARG A 77 6.756 -0.679 -15.624 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.546 -3.994 -15.551 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.807 -4.250 -17.279 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.088 -1.015 -17.844 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.677 -2.571 -18.572 1.00 0.00 H new ATOM 1218 N ARG A 78 7.300 -0.644 -10.789 1.00 0.00 N ATOM 1219 CA ARG A 78 8.290 0.290 -10.266 1.00 0.00 C ATOM 1220 C ARG A 78 7.621 1.562 -9.753 1.00 0.00 C ATOM 1221 O ARG A 78 6.442 1.803 -10.013 1.00 0.00 O ATOM 1222 CB ARG A 78 9.313 0.640 -11.349 1.00 0.00 C ATOM 1223 CG ARG A 78 10.040 -0.569 -11.914 1.00 0.00 C ATOM 1224 CD ARG A 78 10.518 -0.318 -13.335 1.00 0.00 C ATOM 1225 NE ARG A 78 11.861 0.254 -13.368 1.00 0.00 N ATOM 1226 CZ ARG A 78 12.971 -0.475 -13.366 1.00 0.00 C ATOM 1227 NH1 ARG A 78 12.899 -1.799 -13.334 1.00 0.00 N ATOM 1228 NH2 ARG A 78 14.157 0.119 -13.398 1.00 0.00 N ATOM 0 H ARG A 78 6.687 -0.252 -11.504 1.00 0.00 H new ATOM 0 HA ARG A 78 8.802 -0.191 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.806 1.161 -12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.045 1.333 -10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.893 -0.811 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.376 -1.433 -11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.510 -1.255 -13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.824 0.357 -13.837 1.00 0.00 H new ATOM 0 HE ARG A 78 11.952 1.270 -13.394 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.989 -2.260 -13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.753 -2.356 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.217 1.137 -13.424 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.009 -0.442 -13.396 1.00 0.00 H new ATOM 1242 N ARG A 79 8.382 2.371 -9.024 1.00 0.00 N ATOM 1243 CA ARG A 79 7.863 3.617 -8.473 1.00 0.00 C ATOM 1244 C ARG A 79 7.669 4.658 -9.571 1.00 0.00 C ATOM 1245 O ARG A 79 6.546 5.073 -9.857 1.00 0.00 O ATOM 1246 CB ARG A 79 8.810 4.160 -7.402 1.00 0.00 C ATOM 1247 CG ARG A 79 8.353 5.477 -6.795 1.00 0.00 C ATOM 1248 CD ARG A 79 8.938 5.683 -5.407 1.00 0.00 C ATOM 1249 NE ARG A 79 10.218 6.385 -5.450 1.00 0.00 N ATOM 1250 CZ ARG A 79 11.160 6.253 -4.523 1.00 0.00 C ATOM 1251 NH1 ARG A 79 10.967 5.449 -3.487 1.00 0.00 N ATOM 1252 NH2 ARG A 79 12.299 6.925 -4.633 1.00 0.00 N ATOM 0 H ARG A 79 9.360 2.186 -8.801 1.00 0.00 H new ATOM 0 HA ARG A 79 6.894 3.408 -8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.910 3.419 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.799 4.295 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.652 6.301 -7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.265 5.495 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.234 6.250 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.071 4.716 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 79 10.398 7.011 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.093 4.930 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.692 5.350 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.451 7.543 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.022 6.823 -3.921 1.00 0.00 H new ATOM 1266 N MET A 80 8.772 5.077 -10.183 1.00 0.00 N ATOM 1267 CA MET A 80 8.723 6.070 -11.251 1.00 0.00 C ATOM 1268 C MET A 80 7.441 5.929 -12.066 1.00 0.00 C ATOM 1269 O MET A 80 6.745 6.911 -12.318 1.00 0.00 O ATOM 1270 CB MET A 80 9.941 5.927 -12.165 1.00 0.00 C ATOM 1271 CG MET A 80 9.978 6.947 -13.292 1.00 0.00 C ATOM 1272 SD MET A 80 10.841 8.461 -12.829 1.00 0.00 S ATOM 1273 CE MET A 80 9.468 9.491 -12.319 1.00 0.00 C ATOM 0 H MET A 80 9.710 4.745 -9.958 1.00 0.00 H new ATOM 0 HA MET A 80 8.735 7.060 -10.794 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.847 6.025 -11.567 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.948 4.924 -12.593 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.467 6.506 -14.161 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.958 7.191 -13.590 1.00 0.00 H new ATOM 0 HE1 MET A 80 9.669 10.527 -12.593 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.557 9.154 -12.814 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.341 9.420 -11.239 1.00 0.00 H new ATOM 1283 N GLU A 81 7.137 4.701 -12.475 1.00 0.00 N ATOM 1284 CA GLU A 81 5.940 4.434 -13.263 1.00 0.00 C ATOM 1285 C GLU A 81 4.711 5.065 -12.615 1.00 0.00 C ATOM 1286 O GLU A 81 3.930 5.751 -13.277 1.00 0.00 O ATOM 1287 CB GLU A 81 5.730 2.926 -13.417 1.00 0.00 C ATOM 1288 CG GLU A 81 6.889 2.217 -14.099 1.00 0.00 C ATOM 1289 CD GLU A 81 7.056 2.633 -15.547 1.00 0.00 C ATOM 1290 OE1 GLU A 81 6.031 2.791 -16.242 1.00 0.00 O ATOM 1291 OE2 GLU A 81 8.213 2.800 -15.986 1.00 0.00 O ATOM 0 H GLU A 81 7.703 3.876 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 81 6.079 4.877 -14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.575 2.487 -12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.820 2.751 -13.990 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.810 2.429 -13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.730 1.140 -14.050 1.00 0.00 H new ATOM 1298 N LEU A 82 4.545 4.829 -11.319 1.00 0.00 N ATOM 1299 CA LEU A 82 3.411 5.374 -10.580 1.00 0.00 C ATOM 1300 C LEU A 82 3.344 6.890 -10.727 1.00 0.00 C ATOM 1301 O LEU A 82 2.259 7.471 -10.786 1.00 0.00 O ATOM 1302 CB LEU A 82 3.512 4.997 -9.101 1.00 0.00 C ATOM 1303 CG LEU A 82 2.681 5.843 -8.135 1.00 0.00 C ATOM 1304 CD1 LEU A 82 1.199 5.713 -8.451 1.00 0.00 C ATOM 1305 CD2 LEU A 82 2.959 5.435 -6.696 1.00 0.00 C ATOM 0 H LEU A 82 5.181 4.264 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 82 2.498 4.947 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.212 3.955 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.558 5.061 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 82 2.967 6.888 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.624 6.322 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.013 6.054 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.897 4.670 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.360 6.047 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.701 4.385 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.016 5.580 -6.474 1.00 0.00 H new ATOM 1317 N ARG A 83 4.509 7.526 -10.788 1.00 0.00 N ATOM 1318 CA ARG A 83 4.582 8.975 -10.929 1.00 0.00 C ATOM 1319 C ARG A 83 4.042 9.417 -12.286 1.00 0.00 C ATOM 1320 O ARG A 83 3.273 10.376 -12.378 1.00 0.00 O ATOM 1321 CB ARG A 83 6.026 9.453 -10.763 1.00 0.00 C ATOM 1322 CG ARG A 83 6.711 8.902 -9.523 1.00 0.00 C ATOM 1323 CD ARG A 83 6.192 9.567 -8.258 1.00 0.00 C ATOM 1324 NE ARG A 83 6.315 8.696 -7.092 1.00 0.00 N ATOM 1325 CZ ARG A 83 5.519 8.774 -6.031 1.00 0.00 C ATOM 1326 NH1 ARG A 83 4.550 9.677 -5.989 1.00 0.00 N ATOM 1327 NH2 ARG A 83 5.693 7.946 -5.008 1.00 0.00 N ATOM 0 H ARG A 83 5.415 7.061 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 83 3.966 9.422 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.599 9.163 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.037 10.542 -10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.547 7.826 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.787 9.057 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.744 10.490 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.146 9.843 -8.396 1.00 0.00 H new ATOM 0 HE ARG A 83 7.051 7.990 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.413 10.315 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.941 9.734 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.438 7.250 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.082 8.006 -4.194 1.00 0.00 H new ATOM 1341 N LEU A 84 4.449 8.714 -13.337 1.00 0.00 N ATOM 1342 CA LEU A 84 4.006 9.033 -14.690 1.00 0.00 C ATOM 1343 C LEU A 84 2.524 8.718 -14.866 1.00 0.00 C ATOM 1344 O LEU A 84 1.898 9.149 -15.836 1.00 0.00 O ATOM 1345 CB LEU A 84 4.831 8.253 -15.715 1.00 0.00 C ATOM 1346 CG LEU A 84 6.318 8.090 -15.396 1.00 0.00 C ATOM 1347 CD1 LEU A 84 7.004 7.255 -16.466 1.00 0.00 C ATOM 1348 CD2 LEU A 84 6.988 9.451 -15.267 1.00 0.00 C ATOM 0 H LEU A 84 5.085 7.919 -13.278 1.00 0.00 H new ATOM 0 HA LEU A 84 4.153 10.101 -14.852 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.393 7.261 -15.825 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.739 8.751 -16.680 1.00 0.00 H new ATOM 0 HG LEU A 84 6.411 7.570 -14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.061 7.149 -16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.542 6.269 -16.510 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.902 7.747 -17.433 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.045 9.316 -15.040 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.885 9.998 -16.204 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.514 10.015 -14.464 1.00 0.00 H new ATOM 1360 N HIS A 85 1.968 7.965 -13.922 1.00 0.00 N ATOM 1361 CA HIS A 85 0.558 7.595 -13.973 1.00 0.00 C ATOM 1362 C HIS A 85 -0.303 8.636 -13.263 1.00 0.00 C ATOM 1363 O HIS A 85 -1.373 9.004 -13.746 1.00 0.00 O ATOM 1364 CB HIS A 85 0.347 6.221 -13.335 1.00 0.00 C ATOM 1365 CG HIS A 85 -1.083 5.930 -12.999 1.00 0.00 C ATOM 1366 ND1 HIS A 85 -1.821 6.253 -11.911 1.00 0.00 N flip ATOM 1367 CD2 HIS A 85 -1.923 5.223 -13.833 1.00 0.00 C flip ATOM 1368 CE1 HIS A 85 -3.080 5.742 -12.107 1.00 0.00 C flip ATOM 1369 NE2 HIS A 85 -3.116 5.125 -13.274 1.00 0.00 N flip ATOM 0 H HIS A 85 2.472 7.600 -13.114 1.00 0.00 H new ATOM 0 HA HIS A 85 0.256 7.552 -15.020 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.715 5.453 -14.015 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.946 6.156 -12.426 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -1.501 6.778 -11.097 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -1.648 4.813 -14.794 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -3.907 5.830 -11.418 1.00 0.00 H new ATOM 1377 N MET A 86 0.172 9.105 -12.114 1.00 0.00 N ATOM 1378 CA MET A 86 -0.555 10.104 -11.339 1.00 0.00 C ATOM 1379 C MET A 86 -0.971 11.278 -12.219 1.00 0.00 C ATOM 1380 O MET A 86 -1.991 11.922 -11.971 1.00 0.00 O ATOM 1381 CB MET A 86 0.305 10.603 -10.176 1.00 0.00 C ATOM 1382 CG MET A 86 0.613 9.531 -9.144 1.00 0.00 C ATOM 1383 SD MET A 86 -0.288 9.773 -7.601 1.00 0.00 S ATOM 1384 CE MET A 86 -1.978 9.589 -8.163 1.00 0.00 C ATOM 0 H MET A 86 1.056 8.810 -11.699 1.00 0.00 H new ATOM 0 HA MET A 86 -1.455 9.635 -10.941 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.242 10.996 -10.570 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.207 11.431 -9.686 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.364 8.553 -9.556 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.683 9.527 -8.938 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.588 9.186 -7.355 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.369 10.561 -8.464 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.007 8.908 -9.013 1.00 0.00 H new ATOM 1394 N VAL A 87 -0.176 11.552 -13.248 1.00 0.00 N ATOM 1395 CA VAL A 87 -0.463 12.649 -14.165 1.00 0.00 C ATOM 1396 C VAL A 87 -1.907 12.596 -14.649 1.00 0.00 C ATOM 1397 O VAL A 87 -2.538 13.631 -14.867 1.00 0.00 O ATOM 1398 CB VAL A 87 0.477 12.620 -15.385 1.00 0.00 C ATOM 1399 CG1 VAL A 87 1.926 12.486 -14.941 1.00 0.00 C ATOM 1400 CG2 VAL A 87 0.093 11.489 -16.327 1.00 0.00 C ATOM 0 H VAL A 87 0.672 11.030 -13.468 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.302 13.575 -13.613 1.00 0.00 H new ATOM 0 HB VAL A 87 0.373 13.562 -15.923 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.575 12.467 -15.817 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.193 13.334 -14.310 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.050 11.561 -14.378 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.768 11.484 -17.183 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.166 10.537 -15.801 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.930 11.635 -16.672 1.00 0.00 H new ATOM 1410 N SER A 88 -2.427 11.384 -14.815 1.00 0.00 N ATOM 1411 CA SER A 88 -3.797 11.196 -15.276 1.00 0.00 C ATOM 1412 C SER A 88 -4.795 11.651 -14.216 1.00 0.00 C ATOM 1413 O SER A 88 -5.914 12.056 -14.532 1.00 0.00 O ATOM 1414 CB SER A 88 -4.043 9.728 -15.627 1.00 0.00 C ATOM 1415 OG SER A 88 -4.007 8.913 -14.468 1.00 0.00 O ATOM 0 H SER A 88 -1.920 10.517 -14.637 1.00 0.00 H new ATOM 0 HA SER A 88 -3.939 11.805 -16.169 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.011 9.625 -16.117 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.289 9.389 -16.337 1.00 0.00 H new ATOM 0 HG SER A 88 -3.094 8.889 -14.113 1.00 0.00 H new ATOM 1421 N HIS A 89 -4.381 11.581 -12.954 1.00 0.00 N ATOM 1422 CA HIS A 89 -5.237 11.986 -11.845 1.00 0.00 C ATOM 1423 C HIS A 89 -5.164 13.494 -11.625 1.00 0.00 C ATOM 1424 O HIS A 89 -6.189 14.175 -11.565 1.00 0.00 O ATOM 1425 CB HIS A 89 -4.833 11.252 -10.567 1.00 0.00 C ATOM 1426 CG HIS A 89 -5.264 9.818 -10.538 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -6.552 9.413 -10.817 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -4.568 8.689 -10.263 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -6.631 8.098 -10.713 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -5.440 7.635 -10.378 1.00 0.00 N ATOM 0 H HIS A 89 -3.458 11.248 -12.675 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.264 11.723 -12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.750 11.299 -10.458 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.263 11.769 -9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.522 8.629 -10.002 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -7.518 7.503 -10.874 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -5.206 6.653 -10.229 1.00 0.00 H new ATOM 1438 N THR A 90 -3.945 14.011 -11.503 1.00 0.00 N ATOM 1439 CA THR A 90 -3.738 15.437 -11.286 1.00 0.00 C ATOM 1440 C THR A 90 -3.993 16.230 -12.564 1.00 0.00 C ATOM 1441 O THR A 90 -4.410 17.386 -12.516 1.00 0.00 O ATOM 1442 CB THR A 90 -2.309 15.729 -10.791 1.00 0.00 C ATOM 1443 OG1 THR A 90 -2.123 17.140 -10.635 1.00 0.00 O ATOM 1444 CG2 THR A 90 -1.277 15.181 -11.765 1.00 0.00 C ATOM 0 H THR A 90 -3.086 13.463 -11.551 1.00 0.00 H new ATOM 0 HA THR A 90 -4.450 15.747 -10.521 1.00 0.00 H new ATOM 0 HB THR A 90 -2.174 15.237 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.213 17.317 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.275 15.399 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.402 14.102 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.413 15.648 -12.740 1.00 0.00 H new ATOM 1452 N GLY A 91 -3.739 15.599 -13.706 1.00 0.00 N ATOM 1453 CA GLY A 91 -3.947 16.261 -14.981 1.00 0.00 C ATOM 1454 C GLY A 91 -2.780 16.074 -15.929 1.00 0.00 C ATOM 1455 O GLY A 91 -2.918 15.442 -16.976 1.00 0.00 O ATOM 0 H GLY A 91 -3.393 14.642 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.854 15.872 -15.445 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.107 17.326 -14.812 1.00 0.00 H new ATOM 1505 N TYR A 95 6.740 19.769 -15.224 1.00 0.00 N ATOM 1506 CA TYR A 95 7.812 20.149 -16.136 1.00 0.00 C ATOM 1507 C TYR A 95 7.597 19.536 -17.516 1.00 0.00 C ATOM 1508 O TYR A 95 6.994 18.471 -17.649 1.00 0.00 O ATOM 1509 CB TYR A 95 9.166 19.710 -15.575 1.00 0.00 C ATOM 1510 CG TYR A 95 9.445 20.236 -14.185 1.00 0.00 C ATOM 1511 CD1 TYR A 95 10.014 21.490 -13.997 1.00 0.00 C ATOM 1512 CD2 TYR A 95 9.143 19.478 -13.061 1.00 0.00 C ATOM 1513 CE1 TYR A 95 10.272 21.974 -12.729 1.00 0.00 C ATOM 1514 CE2 TYR A 95 9.396 19.955 -11.789 1.00 0.00 C ATOM 1515 CZ TYR A 95 9.960 21.203 -11.629 1.00 0.00 C ATOM 1516 OH TYR A 95 10.215 21.681 -10.364 1.00 0.00 O ATOM 0 HA TYR A 95 7.802 21.234 -16.236 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.207 18.621 -15.557 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.955 20.047 -16.247 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.259 22.096 -14.857 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.703 18.499 -13.183 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.715 22.950 -12.600 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.153 19.354 -10.925 1.00 0.00 H new ATOM 0 HH TYR A 95 10.615 22.573 -10.426 1.00 0.00 H new ATOM 1526 N LYS A 96 8.096 20.217 -18.543 1.00 0.00 N ATOM 1527 CA LYS A 96 7.962 19.740 -19.914 1.00 0.00 C ATOM 1528 C LYS A 96 9.095 20.272 -20.787 1.00 0.00 C ATOM 1529 O LYS A 96 9.652 21.337 -20.520 1.00 0.00 O ATOM 1530 CB LYS A 96 6.613 20.168 -20.495 1.00 0.00 C ATOM 1531 CG LYS A 96 5.522 19.125 -20.331 1.00 0.00 C ATOM 1532 CD LYS A 96 4.144 19.763 -20.271 1.00 0.00 C ATOM 1533 CE LYS A 96 3.690 19.976 -18.835 1.00 0.00 C ATOM 1534 NZ LYS A 96 4.449 21.070 -18.170 1.00 0.00 N ATOM 0 H LYS A 96 8.597 21.101 -18.451 1.00 0.00 H new ATOM 0 HA LYS A 96 8.016 18.651 -19.901 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.296 21.092 -20.012 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.737 20.388 -21.555 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.562 18.422 -21.163 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.699 18.553 -19.420 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.162 20.719 -20.794 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.426 19.129 -20.791 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.626 20.212 -18.822 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.818 19.051 -18.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.883 21.460 -17.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.343 20.694 -17.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.651 21.821 -18.860 1.00 0.00 H new ATOM 1548 N CYS A 97 9.430 19.524 -21.833 1.00 0.00 N ATOM 1549 CA CYS A 97 10.495 19.919 -22.747 1.00 0.00 C ATOM 1550 C CYS A 97 9.967 20.868 -23.819 1.00 0.00 C ATOM 1551 O CYS A 97 8.787 21.220 -23.826 1.00 0.00 O ATOM 1552 CB CYS A 97 11.116 18.685 -23.404 1.00 0.00 C ATOM 1553 SG CYS A 97 12.907 18.824 -23.704 1.00 0.00 S ATOM 0 H CYS A 97 8.979 18.640 -22.069 1.00 0.00 H new ATOM 0 HA CYS A 97 11.260 20.439 -22.171 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.931 17.817 -22.771 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.613 18.500 -24.353 1.00 0.00 H new ATOM 0 HG CYS A 97 13.431 19.636 -22.834 1.00 0.00 H new ATOM 1558 N SER A 98 10.850 21.280 -24.724 1.00 0.00 N ATOM 1559 CA SER A 98 10.475 22.191 -25.798 1.00 0.00 C ATOM 1560 C SER A 98 10.752 21.566 -27.162 1.00 0.00 C ATOM 1561 O SER A 98 9.925 21.640 -28.071 1.00 0.00 O ATOM 1562 CB SER A 98 11.236 23.511 -25.665 1.00 0.00 C ATOM 1563 OG SER A 98 10.929 24.156 -24.442 1.00 0.00 O ATOM 0 H SER A 98 11.830 20.997 -24.734 1.00 0.00 H new ATOM 0 HA SER A 98 9.406 22.387 -25.718 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.308 23.323 -25.722 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.983 24.166 -26.499 1.00 0.00 H new ATOM 0 HG SER A 98 11.429 24.996 -24.381 1.00 0.00 H new ATOM 1569 N SER A 99 11.922 20.950 -27.297 1.00 0.00 N ATOM 1570 CA SER A 99 12.312 20.315 -28.551 1.00 0.00 C ATOM 1571 C SER A 99 11.474 19.067 -28.810 1.00 0.00 C ATOM 1572 O SER A 99 10.939 18.880 -29.903 1.00 0.00 O ATOM 1573 CB SER A 99 13.797 19.950 -28.522 1.00 0.00 C ATOM 1574 OG SER A 99 14.593 21.010 -29.023 1.00 0.00 O ATOM 0 H SER A 99 12.617 20.877 -26.554 1.00 0.00 H new ATOM 0 HA SER A 99 12.136 21.024 -29.360 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.097 19.717 -27.500 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.966 19.052 -29.117 1.00 0.00 H new ATOM 0 HG SER A 99 15.538 20.752 -28.992 1.00 0.00 H new ATOM 1580 N CYS A 100 11.365 18.214 -27.797 1.00 0.00 N ATOM 1581 CA CYS A 100 10.594 16.982 -27.913 1.00 0.00 C ATOM 1582 C CYS A 100 9.236 17.124 -27.230 1.00 0.00 C ATOM 1583 O CYS A 100 8.316 16.349 -27.489 1.00 0.00 O ATOM 1584 CB CYS A 100 11.366 15.813 -27.300 1.00 0.00 C ATOM 1585 SG CYS A 100 11.546 15.908 -25.490 1.00 0.00 S ATOM 0 H CYS A 100 11.801 18.354 -26.886 1.00 0.00 H new ATOM 0 HA CYS A 100 10.429 16.784 -28.972 1.00 0.00 H new ATOM 0 HB2 CYS A 100 10.859 14.883 -27.556 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.357 15.770 -27.751 1.00 0.00 H new ATOM 0 HG CYS A 100 12.055 17.059 -25.164 1.00 0.00 H new ATOM 1590 N SER A 101 9.121 18.120 -26.357 1.00 0.00 N ATOM 1591 CA SER A 101 7.878 18.361 -25.634 1.00 0.00 C ATOM 1592 C SER A 101 7.612 17.250 -24.623 1.00 0.00 C ATOM 1593 O SER A 101 6.462 16.931 -24.325 1.00 0.00 O ATOM 1594 CB SER A 101 6.706 18.467 -26.612 1.00 0.00 C ATOM 1595 OG SER A 101 6.992 19.386 -27.653 1.00 0.00 O ATOM 0 H SER A 101 9.873 18.772 -26.134 1.00 0.00 H new ATOM 0 HA SER A 101 7.978 19.303 -25.094 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.493 17.486 -27.037 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.810 18.785 -26.078 1.00 0.00 H new ATOM 0 HG SER A 101 6.229 19.434 -28.265 1.00 0.00 H new ATOM 1601 N GLN A 102 8.685 16.665 -24.101 1.00 0.00 N ATOM 1602 CA GLN A 102 8.569 15.588 -23.125 1.00 0.00 C ATOM 1603 C GLN A 102 7.880 16.077 -21.855 1.00 0.00 C ATOM 1604 O GLN A 102 7.414 17.214 -21.790 1.00 0.00 O ATOM 1605 CB GLN A 102 9.951 15.027 -22.786 1.00 0.00 C ATOM 1606 CG GLN A 102 10.360 13.850 -23.657 1.00 0.00 C ATOM 1607 CD GLN A 102 9.941 12.516 -23.071 1.00 0.00 C ATOM 1608 OE1 GLN A 102 8.758 12.276 -22.828 1.00 0.00 O ATOM 1609 NE2 GLN A 102 10.912 11.640 -22.841 1.00 0.00 N ATOM 0 H GLN A 102 9.644 16.919 -24.337 1.00 0.00 H new ATOM 0 HA GLN A 102 7.962 14.797 -23.565 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.691 15.820 -22.890 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.962 14.716 -21.741 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.916 13.963 -24.646 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.442 13.860 -23.790 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.879 11.882 -23.058 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.691 10.725 -22.447 1.00 0.00 H new ATOM 1618 N GLN A 103 7.819 15.210 -20.849 1.00 0.00 N ATOM 1619 CA GLN A 103 7.186 15.555 -19.582 1.00 0.00 C ATOM 1620 C GLN A 103 7.972 14.982 -18.407 1.00 0.00 C ATOM 1621 O GLN A 103 8.525 13.885 -18.493 1.00 0.00 O ATOM 1622 CB GLN A 103 5.747 15.036 -19.549 1.00 0.00 C ATOM 1623 CG GLN A 103 4.871 15.602 -20.655 1.00 0.00 C ATOM 1624 CD GLN A 103 3.437 15.117 -20.571 1.00 0.00 C ATOM 1625 OE1 GLN A 103 2.888 14.594 -21.541 1.00 0.00 O ATOM 1626 NE2 GLN A 103 2.823 15.286 -19.406 1.00 0.00 N ATOM 0 H GLN A 103 8.200 14.265 -20.887 1.00 0.00 H new ATOM 0 HA GLN A 103 7.176 16.641 -19.494 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.760 13.949 -19.627 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.303 15.281 -18.584 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.886 16.691 -20.603 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.289 15.323 -21.622 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.316 15.724 -18.628 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.858 14.977 -19.289 1.00 0.00 H new ATOM 1635 N PHE A 104 8.018 15.732 -17.311 1.00 0.00 N ATOM 1636 CA PHE A 104 8.738 15.299 -16.119 1.00 0.00 C ATOM 1637 C PHE A 104 8.051 15.806 -14.854 1.00 0.00 C ATOM 1638 O PHE A 104 7.274 16.759 -14.897 1.00 0.00 O ATOM 1639 CB PHE A 104 10.184 15.798 -16.161 1.00 0.00 C ATOM 1640 CG PHE A 104 10.880 15.511 -17.461 1.00 0.00 C ATOM 1641 CD1 PHE A 104 10.558 16.221 -18.606 1.00 0.00 C ATOM 1642 CD2 PHE A 104 11.856 14.530 -17.538 1.00 0.00 C ATOM 1643 CE1 PHE A 104 11.196 15.957 -19.804 1.00 0.00 C ATOM 1644 CE2 PHE A 104 12.497 14.263 -18.732 1.00 0.00 C ATOM 1645 CZ PHE A 104 12.167 14.978 -19.867 1.00 0.00 C ATOM 0 H PHE A 104 7.566 16.642 -17.223 1.00 0.00 H new ATOM 0 HA PHE A 104 8.737 14.209 -16.101 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.194 16.873 -15.982 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.744 15.335 -15.348 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.800 16.989 -18.563 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.118 13.968 -16.654 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.935 16.517 -20.690 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.256 13.496 -18.778 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.668 14.771 -20.801 1.00 0.00 H new ATOM 1655 N MET A 105 8.342 15.160 -13.730 1.00 0.00 N ATOM 1656 CA MET A 105 7.753 15.545 -12.453 1.00 0.00 C ATOM 1657 C MET A 105 8.681 16.482 -11.686 1.00 0.00 C ATOM 1658 O MET A 105 8.231 17.273 -10.858 1.00 0.00 O ATOM 1659 CB MET A 105 7.452 14.303 -11.611 1.00 0.00 C ATOM 1660 CG MET A 105 6.054 13.748 -11.825 1.00 0.00 C ATOM 1661 SD MET A 105 4.764 14.951 -11.453 1.00 0.00 S ATOM 1662 CE MET A 105 3.463 14.405 -12.556 1.00 0.00 C ATOM 0 H MET A 105 8.982 14.368 -13.677 1.00 0.00 H new ATOM 0 HA MET A 105 6.821 16.072 -12.655 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.182 13.528 -11.847 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.579 14.549 -10.557 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.952 13.420 -12.860 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.917 12.868 -11.197 1.00 0.00 H new ATOM 0 HE1 MET A 105 2.497 14.720 -12.163 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.614 14.844 -13.542 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.485 13.318 -12.635 1.00 0.00 H new ATOM 1672 N GLN A 106 9.976 16.385 -11.968 1.00 0.00 N ATOM 1673 CA GLN A 106 10.966 17.224 -11.304 1.00 0.00 C ATOM 1674 C GLN A 106 11.696 18.108 -12.310 1.00 0.00 C ATOM 1675 O GLN A 106 11.752 17.795 -13.500 1.00 0.00 O ATOM 1676 CB GLN A 106 11.972 16.358 -10.544 1.00 0.00 C ATOM 1677 CG GLN A 106 11.326 15.261 -9.713 1.00 0.00 C ATOM 1678 CD GLN A 106 12.128 14.919 -8.473 1.00 0.00 C ATOM 1679 OE1 GLN A 106 13.179 15.508 -8.217 1.00 0.00 O ATOM 1680 NE2 GLN A 106 11.637 13.962 -7.695 1.00 0.00 N ATOM 0 H GLN A 106 10.364 15.734 -12.651 1.00 0.00 H new ATOM 0 HA GLN A 106 10.443 17.867 -10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.660 15.904 -11.257 1.00 0.00 H new ATOM 0 HB3 GLN A 106 12.566 16.996 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.325 15.576 -9.418 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.212 14.366 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.763 13.500 -7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.134 13.689 -6.847 1.00 0.00 H new ATOM 1689 N LYS A 107 12.253 19.212 -11.826 1.00 0.00 N ATOM 1690 CA LYS A 107 12.980 20.141 -12.683 1.00 0.00 C ATOM 1691 C LYS A 107 14.313 19.545 -13.125 1.00 0.00 C ATOM 1692 O LYS A 107 14.631 19.522 -14.314 1.00 0.00 O ATOM 1693 CB LYS A 107 13.219 21.463 -11.949 1.00 0.00 C ATOM 1694 CG LYS A 107 13.516 22.629 -12.876 1.00 0.00 C ATOM 1695 CD LYS A 107 14.186 23.774 -12.136 1.00 0.00 C ATOM 1696 CE LYS A 107 14.587 24.893 -13.085 1.00 0.00 C ATOM 1697 NZ LYS A 107 14.923 26.146 -12.355 1.00 0.00 N ATOM 0 H LYS A 107 12.215 19.486 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 107 12.374 20.328 -13.570 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.340 21.701 -11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.052 21.339 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 107 14.160 22.294 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.589 22.980 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.508 24.165 -11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 107 15.069 23.404 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.446 24.577 -13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.772 25.087 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.191 26.884 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.096 26.462 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.717 25.968 -11.708 1.00 0.00 H new ATOM 1711 N LYS A 108 15.089 19.062 -12.160 1.00 0.00 N ATOM 1712 CA LYS A 108 16.386 18.463 -12.449 1.00 0.00 C ATOM 1713 C LYS A 108 16.250 17.335 -13.467 1.00 0.00 C ATOM 1714 O LYS A 108 17.108 17.158 -14.331 1.00 0.00 O ATOM 1715 CB LYS A 108 17.022 17.929 -11.163 1.00 0.00 C ATOM 1716 CG LYS A 108 16.182 16.878 -10.460 1.00 0.00 C ATOM 1717 CD LYS A 108 17.016 16.050 -9.496 1.00 0.00 C ATOM 1718 CE LYS A 108 16.324 14.744 -9.139 1.00 0.00 C ATOM 1719 NZ LYS A 108 17.107 13.953 -8.150 1.00 0.00 N ATOM 0 H LYS A 108 14.841 19.074 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 108 17.029 19.235 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 108 17.997 17.504 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.194 18.761 -10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.371 17.363 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.723 16.223 -11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.987 15.838 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.202 16.624 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.335 14.956 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.177 14.152 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.601 13.070 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.042 13.728 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.226 14.507 -7.278 1.00 0.00 H new ATOM 1733 N ASP A 109 15.165 16.575 -13.359 1.00 0.00 N ATOM 1734 CA ASP A 109 14.915 15.466 -14.272 1.00 0.00 C ATOM 1735 C ASP A 109 14.867 15.952 -15.718 1.00 0.00 C ATOM 1736 O ASP A 109 15.341 15.271 -16.628 1.00 0.00 O ATOM 1737 CB ASP A 109 13.603 14.767 -13.912 1.00 0.00 C ATOM 1738 CG ASP A 109 13.620 13.291 -14.256 1.00 0.00 C ATOM 1739 OD1 ASP A 109 13.702 12.963 -15.458 1.00 0.00 O ATOM 1740 OD2 ASP A 109 13.550 12.463 -13.323 1.00 0.00 O ATOM 0 H ASP A 109 14.445 16.707 -12.648 1.00 0.00 H new ATOM 0 HA ASP A 109 15.735 14.755 -14.174 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.412 14.886 -12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.781 15.250 -14.439 1.00 0.00 H new ATOM 1745 N LEU A 110 14.291 17.131 -15.921 1.00 0.00 N ATOM 1746 CA LEU A 110 14.180 17.708 -17.256 1.00 0.00 C ATOM 1747 C LEU A 110 15.522 18.264 -17.723 1.00 0.00 C ATOM 1748 O LEU A 110 15.994 17.938 -18.812 1.00 0.00 O ATOM 1749 CB LEU A 110 13.125 18.816 -17.268 1.00 0.00 C ATOM 1750 CG LEU A 110 13.143 19.746 -18.481 1.00 0.00 C ATOM 1751 CD1 LEU A 110 12.880 18.964 -19.759 1.00 0.00 C ATOM 1752 CD2 LEU A 110 12.118 20.859 -18.315 1.00 0.00 C ATOM 0 H LEU A 110 13.894 17.706 -15.178 1.00 0.00 H new ATOM 0 HA LEU A 110 13.876 16.917 -17.942 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.140 18.353 -17.205 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.252 19.420 -16.370 1.00 0.00 H new ATOM 0 HG LEU A 110 14.133 20.197 -18.553 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.897 19.643 -20.611 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.651 18.204 -19.886 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.904 18.484 -19.697 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.145 21.511 -19.188 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.123 20.425 -18.216 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.351 21.438 -17.422 1.00 0.00 H new ATOM 1764 N GLN A 111 16.132 19.101 -16.890 1.00 0.00 N ATOM 1765 CA GLN A 111 17.420 19.700 -17.217 1.00 0.00 C ATOM 1766 C GLN A 111 18.411 18.639 -17.685 1.00 0.00 C ATOM 1767 O GLN A 111 19.047 18.786 -18.729 1.00 0.00 O ATOM 1768 CB GLN A 111 17.985 20.442 -16.004 1.00 0.00 C ATOM 1769 CG GLN A 111 17.119 21.604 -15.545 1.00 0.00 C ATOM 1770 CD GLN A 111 17.927 22.716 -14.906 1.00 0.00 C ATOM 1771 OE1 GLN A 111 18.859 23.248 -15.510 1.00 0.00 O ATOM 1772 NE2 GLN A 111 17.572 23.075 -13.678 1.00 0.00 N ATOM 0 H GLN A 111 15.755 19.379 -15.984 1.00 0.00 H new ATOM 0 HA GLN A 111 17.265 20.411 -18.029 1.00 0.00 H new ATOM 0 HB2 GLN A 111 18.101 19.738 -15.180 1.00 0.00 H new ATOM 0 HB3 GLN A 111 18.980 20.815 -16.247 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.570 22.003 -16.398 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.379 21.241 -14.832 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.793 22.607 -13.215 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.078 23.819 -13.198 1.00 0.00 H new ATOM 1781 N SER A 112 18.536 17.569 -16.906 1.00 0.00 N ATOM 1782 CA SER A 112 19.453 16.485 -17.239 1.00 0.00 C ATOM 1783 C SER A 112 19.052 15.818 -18.552 1.00 0.00 C ATOM 1784 O SER A 112 19.903 15.484 -19.376 1.00 0.00 O ATOM 1785 CB SER A 112 19.478 15.447 -16.114 1.00 0.00 C ATOM 1786 OG SER A 112 20.738 14.802 -16.045 1.00 0.00 O ATOM 0 H SER A 112 18.014 17.430 -16.041 1.00 0.00 H new ATOM 0 HA SER A 112 20.450 16.909 -17.356 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.261 15.932 -15.162 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.695 14.707 -16.280 1.00 0.00 H new ATOM 0 HG SER A 112 20.730 14.145 -15.318 1.00 0.00 H new ATOM 1792 N HIS A 113 17.750 15.629 -18.738 1.00 0.00 N ATOM 1793 CA HIS A 113 17.235 15.003 -19.951 1.00 0.00 C ATOM 1794 C HIS A 113 17.605 15.822 -21.184 1.00 0.00 C ATOM 1795 O HIS A 113 17.918 15.268 -22.237 1.00 0.00 O ATOM 1796 CB HIS A 113 15.716 14.847 -19.865 1.00 0.00 C ATOM 1797 CG HIS A 113 15.031 14.911 -21.195 1.00 0.00 C ATOM 1798 ND1 HIS A 113 14.559 15.967 -21.898 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 14.759 13.794 -21.956 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 14.018 15.474 -23.060 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 14.152 14.160 -23.070 1.00 0.00 N flip ATOM 0 H HIS A 113 17.033 15.900 -18.065 1.00 0.00 H new ATOM 0 HA HIS A 113 17.689 14.016 -20.042 1.00 0.00 H new ATOM 0 HB2 HIS A 113 15.483 13.893 -19.391 1.00 0.00 H new ATOM 0 HB3 HIS A 113 15.315 15.629 -19.221 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.004 12.778 -21.683 1.00 0.00 H new ATOM 0 HE1 HIS A 113 13.558 16.064 -23.839 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.840 13.534 -23.812 1.00 0.00 H new ATOM 1809 N MET A 114 17.564 17.143 -21.045 1.00 0.00 N ATOM 1810 CA MET A 114 17.896 18.037 -22.148 1.00 0.00 C ATOM 1811 C MET A 114 19.407 18.154 -22.318 1.00 0.00 C ATOM 1812 O MET A 114 19.901 18.374 -23.425 1.00 0.00 O ATOM 1813 CB MET A 114 17.289 19.422 -21.910 1.00 0.00 C ATOM 1814 CG MET A 114 15.780 19.401 -21.730 1.00 0.00 C ATOM 1815 SD MET A 114 15.024 21.011 -22.024 1.00 0.00 S ATOM 1816 CE MET A 114 15.213 21.156 -23.799 1.00 0.00 C ATOM 0 H MET A 114 17.304 17.618 -20.180 1.00 0.00 H new ATOM 0 HA MET A 114 17.477 17.616 -23.062 1.00 0.00 H new ATOM 0 HB2 MET A 114 17.746 19.863 -21.024 1.00 0.00 H new ATOM 0 HB3 MET A 114 17.537 20.068 -22.752 1.00 0.00 H new ATOM 0 HG2 MET A 114 15.347 18.670 -22.413 1.00 0.00 H new ATOM 0 HG3 MET A 114 15.543 19.072 -20.718 1.00 0.00 H new ATOM 0 HE1 MET A 114 15.898 21.973 -24.026 1.00 0.00 H new ATOM 0 HE2 MET A 114 15.613 20.225 -24.200 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.243 21.359 -24.253 1.00 0.00 H new ATOM 1826 N ILE A 115 20.135 18.005 -21.217 1.00 0.00 N ATOM 1827 CA ILE A 115 21.590 18.093 -21.246 1.00 0.00 C ATOM 1828 C ILE A 115 22.208 16.805 -21.779 1.00 0.00 C ATOM 1829 O ILE A 115 23.319 16.810 -22.310 1.00 0.00 O ATOM 1830 CB ILE A 115 22.164 18.384 -19.847 1.00 0.00 C ATOM 1831 CG1 ILE A 115 21.696 19.755 -19.354 1.00 0.00 C ATOM 1832 CG2 ILE A 115 23.684 18.315 -19.873 1.00 0.00 C ATOM 1833 CD1 ILE A 115 21.564 19.844 -17.850 1.00 0.00 C ATOM 0 H ILE A 115 19.742 17.823 -20.294 1.00 0.00 H new ATOM 0 HA ILE A 115 21.843 18.918 -21.912 1.00 0.00 H new ATOM 0 HB ILE A 115 21.797 17.626 -19.155 1.00 0.00 H new ATOM 0 HG12 ILE A 115 22.400 20.514 -19.694 1.00 0.00 H new ATOM 0 HG13 ILE A 115 20.733 19.986 -19.809 1.00 0.00 H new ATOM 0 HG21 ILE A 115 24.075 18.523 -18.877 1.00 0.00 H new ATOM 0 HG22 ILE A 115 23.998 17.319 -20.185 1.00 0.00 H new ATOM 0 HG23 ILE A 115 24.070 19.054 -20.576 1.00 0.00 H new ATOM 0 HD11 ILE A 115 21.229 20.843 -17.573 1.00 0.00 H new ATOM 0 HD12 ILE A 115 20.838 19.108 -17.504 1.00 0.00 H new ATOM 0 HD13 ILE A 115 22.531 19.644 -17.387 1.00 0.00 H new ATOM 1845 N LYS A 116 21.480 15.703 -21.636 1.00 0.00 N ATOM 1846 CA LYS A 116 21.954 14.406 -22.106 1.00 0.00 C ATOM 1847 C LYS A 116 21.487 14.141 -23.533 1.00 0.00 C ATOM 1848 O LYS A 116 22.298 13.911 -24.431 1.00 0.00 O ATOM 1849 CB LYS A 116 21.459 13.293 -21.180 1.00 0.00 C ATOM 1850 CG LYS A 116 22.375 13.033 -19.997 1.00 0.00 C ATOM 1851 CD LYS A 116 22.082 13.981 -18.846 1.00 0.00 C ATOM 1852 CE LYS A 116 23.153 13.899 -17.769 1.00 0.00 C ATOM 1853 NZ LYS A 116 24.455 14.446 -18.240 1.00 0.00 N ATOM 0 H LYS A 116 20.559 15.682 -21.198 1.00 0.00 H new ATOM 0 HA LYS A 116 23.044 14.420 -22.096 1.00 0.00 H new ATOM 0 HB2 LYS A 116 20.467 13.554 -20.810 1.00 0.00 H new ATOM 0 HB3 LYS A 116 21.353 12.373 -21.756 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.254 12.003 -19.661 1.00 0.00 H new ATOM 0 HG3 LYS A 116 23.414 13.147 -20.308 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.020 15.002 -19.222 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.111 13.741 -18.414 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.825 14.450 -16.888 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.284 12.860 -17.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 25.072 14.625 -17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 24.911 13.759 -18.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.292 15.336 -18.753 1.00 0.00 H new ATOM 1867 N LEU A 117 20.174 14.175 -23.737 1.00 0.00 N ATOM 1868 CA LEU A 117 19.598 13.940 -25.057 1.00 0.00 C ATOM 1869 C LEU A 117 19.753 15.170 -25.946 1.00 0.00 C ATOM 1870 O LEU A 117 20.291 15.086 -27.050 1.00 0.00 O ATOM 1871 CB LEU A 117 18.119 13.571 -24.931 1.00 0.00 C ATOM 1872 CG LEU A 117 17.776 12.530 -23.864 1.00 0.00 C ATOM 1873 CD1 LEU A 117 16.431 11.885 -24.161 1.00 0.00 C ATOM 1874 CD2 LEU A 117 18.869 11.474 -23.777 1.00 0.00 C ATOM 0 H LEU A 117 19.489 14.363 -23.005 1.00 0.00 H new ATOM 0 HA LEU A 117 20.135 13.111 -25.518 1.00 0.00 H new ATOM 0 HB2 LEU A 117 17.555 14.479 -24.718 1.00 0.00 H new ATOM 0 HB3 LEU A 117 17.774 13.200 -25.896 1.00 0.00 H new ATOM 0 HG LEU A 117 17.709 13.034 -22.900 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.203 11.147 -23.392 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.655 12.650 -24.171 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.469 11.395 -25.134 1.00 0.00 H new ATOM 0 HD21 LEU A 117 18.608 10.742 -23.013 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.969 10.973 -24.740 1.00 0.00 H new ATOM 0 HD23 LEU A 117 19.814 11.950 -23.516 1.00 0.00 H new ATOM 1886 N HIS A 118 19.280 16.311 -25.456 1.00 0.00 N ATOM 1887 CA HIS A 118 19.368 17.559 -26.205 1.00 0.00 C ATOM 1888 C HIS A 118 20.683 18.277 -25.912 1.00 0.00 C ATOM 1889 O HIS A 118 20.724 19.504 -25.819 1.00 0.00 O ATOM 1890 CB HIS A 118 18.189 18.470 -25.861 1.00 0.00 C ATOM 1891 CG HIS A 118 16.854 17.852 -26.142 1.00 0.00 C ATOM 1892 ND1 HIS A 118 16.518 17.308 -27.364 1.00 0.00 N ATOM 1893 CD2 HIS A 118 15.768 17.693 -25.350 1.00 0.00 C ATOM 1894 CE1 HIS A 118 15.283 16.842 -27.312 1.00 0.00 C ATOM 1895 NE2 HIS A 118 14.806 17.063 -26.100 1.00 0.00 N ATOM 0 H HIS A 118 18.832 16.397 -24.544 1.00 0.00 H new ATOM 0 HA HIS A 118 19.334 17.319 -27.268 1.00 0.00 H new ATOM 0 HB2 HIS A 118 18.242 18.737 -24.805 1.00 0.00 H new ATOM 0 HB3 HIS A 118 18.278 19.396 -26.429 1.00 0.00 H new ATOM 0 HD2 HIS A 118 15.675 18.004 -24.320 1.00 0.00 H new ATOM 0 HE1 HIS A 118 14.754 16.362 -28.122 1.00 0.00 H new ATOM 0 HE2 HIS A 118 13.874 16.807 -25.774 1.00 0.00 H new