USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 683 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 51 THR OG1 : rot 180:sc= 0.88 USER MOD Set 1.2: A 52 HIS : no HE2:sc= 1.13 K(o=2,f=-8.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -3.07 K(o=-3.1,f=-6!) USER MOD Single : A 16 CYS SG : rot 49:sc= 1.05 USER MOD Single : A 19 SER OG : rot 180:sc= -0.935 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.334) USER MOD Single : A 29 HIS : no HE2:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -152:sc= -0.0545 (180deg=-1.66) USER MOD Single : A 34 MET CE :methyl -135:sc= 0 (180deg=-0.0881) USER MOD Single : A 35 THR OG1 : rot 178:sc= 0.00251 USER MOD Single : A 37 MET CE :methyl 150:sc= -0.0342 (180deg=-0.382) USER MOD Single : A 38 GLN : amide:sc= -0.962 X(o=-0.96,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -74:sc= -0.193 USER MOD Single : A 58 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0056 (180deg=-0.541) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -2.49! C(o=-4!,f=-2.5!) USER MOD Single : A 82 SER OG : rot 83:sc= 0.242 USER MOD Single : A 84 GLN : amide:sc= -0.592 K(o=-0.59,f=-3.9!) USER MOD Single : A 85 MET CE :methyl -174:sc= -4.45! (180deg=-4.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -116:sc= -1.91 (180deg=-4.65!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -129:sc= 0.00258 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -1.732 18.731 -4.672 1.00 0.00 N ATOM 87 CA LYS A 9 -1.040 17.555 -4.157 1.00 0.00 C ATOM 88 C LYS A 9 -1.764 16.276 -4.565 1.00 0.00 C ATOM 89 O LYS A 9 -2.920 16.313 -4.987 1.00 0.00 O ATOM 90 CB LYS A 9 -0.932 17.629 -2.632 1.00 0.00 C ATOM 91 CG LYS A 9 0.125 18.605 -2.144 1.00 0.00 C ATOM 92 CD LYS A 9 0.105 18.737 -0.631 1.00 0.00 C ATOM 93 CE LYS A 9 0.757 20.034 -0.176 1.00 0.00 C ATOM 94 NZ LYS A 9 2.242 19.971 -0.268 1.00 0.00 N ATOM 0 HA LYS A 9 -0.038 17.537 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.899 17.918 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.705 16.636 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.110 18.268 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.043 19.582 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.925 18.702 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.626 17.890 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.390 20.859 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.466 20.245 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.648 20.874 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.595 19.200 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.522 19.795 -1.254 1.00 0.00 H new ATOM 108 N VAL A 10 -1.078 15.145 -4.434 1.00 0.00 N ATOM 109 CA VAL A 10 -1.656 13.854 -4.787 1.00 0.00 C ATOM 110 C VAL A 10 -1.371 12.812 -3.711 1.00 0.00 C ATOM 111 O VAL A 10 -0.260 12.710 -3.190 1.00 0.00 O ATOM 112 CB VAL A 10 -1.114 13.345 -6.135 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.364 13.005 -6.023 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.912 12.140 -6.609 1.00 0.00 C ATOM 0 H VAL A 10 -0.121 15.097 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.733 14.002 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.224 14.139 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.729 12.647 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.921 13.896 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.503 12.228 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.515 11.793 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.836 11.340 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.958 12.422 -6.732 1.00 0.00 H new ATOM 124 N PRO A 11 -2.397 12.019 -3.369 1.00 0.00 N ATOM 125 CA PRO A 11 -2.282 10.969 -2.352 1.00 0.00 C ATOM 126 C PRO A 11 -1.410 9.807 -2.816 1.00 0.00 C ATOM 127 O PRO A 11 -1.252 9.557 -4.011 1.00 0.00 O ATOM 128 CB PRO A 11 -3.727 10.508 -2.153 1.00 0.00 C ATOM 129 CG PRO A 11 -4.410 10.836 -3.436 1.00 0.00 C ATOM 130 CD PRO A 11 -3.749 12.086 -3.948 1.00 0.00 C ATOM 0 HA PRO A 11 -1.808 11.334 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.776 9.440 -1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.194 11.022 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.309 10.020 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.477 10.994 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.719 12.107 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.280 12.982 -3.626 1.00 0.00 H new ATOM 138 N PRO A 12 -0.831 9.079 -1.850 1.00 0.00 N ATOM 139 CA PRO A 12 0.034 7.930 -2.135 1.00 0.00 C ATOM 140 C PRO A 12 -0.744 6.745 -2.698 1.00 0.00 C ATOM 141 O PRO A 12 -0.156 5.758 -3.141 1.00 0.00 O ATOM 142 CB PRO A 12 0.624 7.582 -0.767 1.00 0.00 C ATOM 143 CG PRO A 12 -0.372 8.091 0.217 1.00 0.00 C ATOM 144 CD PRO A 12 -0.975 9.321 -0.404 1.00 0.00 C ATOM 0 HA PRO A 12 0.784 8.162 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.771 6.507 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.597 8.052 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.137 7.342 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.105 8.328 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.020 9.444 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.452 10.225 -0.094 1.00 0.00 H new ATOM 152 N PHE A 13 -2.068 6.849 -2.677 1.00 0.00 N ATOM 153 CA PHE A 13 -2.927 5.785 -3.185 1.00 0.00 C ATOM 154 C PHE A 13 -3.852 6.309 -4.280 1.00 0.00 C ATOM 155 O PHE A 13 -4.806 5.638 -4.672 1.00 0.00 O ATOM 156 CB PHE A 13 -3.753 5.182 -2.048 1.00 0.00 C ATOM 157 CG PHE A 13 -2.919 4.638 -0.924 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.715 4.003 -1.181 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.340 4.761 0.391 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.945 3.501 -0.149 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.574 4.262 1.427 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.375 3.630 1.157 1.00 0.00 C ATOM 0 H PHE A 13 -2.570 7.659 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.290 5.010 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.426 5.944 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.376 4.382 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.374 3.899 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.277 5.252 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.008 3.008 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.912 4.366 2.447 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.776 3.238 1.965 1.00 0.00 H new ATOM 172 N GLN A 14 -3.562 7.511 -4.767 1.00 0.00 N ATOM 173 CA GLN A 14 -4.368 8.125 -5.815 1.00 0.00 C ATOM 174 C GLN A 14 -4.890 7.072 -6.787 1.00 0.00 C ATOM 175 O GLN A 14 -4.113 6.403 -7.469 1.00 0.00 O ATOM 176 CB GLN A 14 -3.549 9.172 -6.571 1.00 0.00 C ATOM 177 CG GLN A 14 -4.234 9.692 -7.824 1.00 0.00 C ATOM 178 CD GLN A 14 -3.907 8.867 -9.053 1.00 0.00 C ATOM 179 OE1 GLN A 14 -4.802 8.365 -9.734 1.00 0.00 O ATOM 180 NE2 GLN A 14 -2.619 8.723 -9.344 1.00 0.00 N ATOM 0 H GLN A 14 -2.775 8.079 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.221 8.613 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.343 10.010 -5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.587 8.739 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.313 9.694 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.934 10.726 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.911 9.157 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.338 8.179 -10.160 1.00 0.00 H new ATOM 189 N ASP A 15 -6.210 6.931 -6.846 1.00 0.00 N ATOM 190 CA ASP A 15 -6.836 5.959 -7.735 1.00 0.00 C ATOM 191 C ASP A 15 -6.116 4.616 -7.667 1.00 0.00 C ATOM 192 O ASP A 15 -5.853 3.989 -8.693 1.00 0.00 O ATOM 193 CB ASP A 15 -6.835 6.479 -9.174 1.00 0.00 C ATOM 194 CG ASP A 15 -7.752 5.680 -10.079 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.761 5.142 -9.576 1.00 0.00 O ATOM 196 OD2 ASP A 15 -7.461 5.592 -11.290 1.00 0.00 O ATOM 0 H ASP A 15 -6.867 7.477 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.866 5.815 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.144 7.524 -9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.820 6.445 -9.569 1.00 0.00 H new ATOM 201 N CYS A 16 -5.801 4.182 -6.452 1.00 0.00 N ATOM 202 CA CYS A 16 -5.110 2.913 -6.249 1.00 0.00 C ATOM 203 C CYS A 16 -5.734 2.132 -5.097 1.00 0.00 C ATOM 204 O CYS A 16 -5.822 2.628 -3.974 1.00 0.00 O ATOM 205 CB CYS A 16 -3.626 3.156 -5.970 1.00 0.00 C ATOM 206 SG CYS A 16 -2.735 3.931 -7.340 1.00 0.00 S ATOM 0 H CYS A 16 -6.013 4.689 -5.593 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.210 2.324 -7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.532 3.787 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.151 2.204 -5.734 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.402 4.963 -7.763 1.00 0.00 H new ATOM 212 N ILE A 17 -6.167 0.909 -5.386 1.00 0.00 N ATOM 213 CA ILE A 17 -6.784 0.060 -4.374 1.00 0.00 C ATOM 214 C ILE A 17 -5.746 -0.823 -3.690 1.00 0.00 C ATOM 215 O ILE A 17 -4.746 -1.209 -4.297 1.00 0.00 O ATOM 216 CB ILE A 17 -7.881 -0.834 -4.983 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.823 -0.001 -5.854 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.656 -1.544 -3.883 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.441 -0.782 -6.993 1.00 0.00 C ATOM 0 H ILE A 17 -6.102 0.485 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.235 0.724 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.408 -1.588 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.618 0.406 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.273 0.847 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.428 -2.172 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.975 -2.164 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.121 -0.805 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.097 -0.129 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.653 -1.166 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.019 -1.615 -6.592 1.00 0.00 H new ATOM 231 N LEU A 18 -5.990 -1.140 -2.423 1.00 0.00 N ATOM 232 CA LEU A 18 -5.077 -1.979 -1.655 1.00 0.00 C ATOM 233 C LEU A 18 -5.837 -3.081 -0.923 1.00 0.00 C ATOM 234 O LEU A 18 -6.810 -2.815 -0.218 1.00 0.00 O ATOM 235 CB LEU A 18 -4.295 -1.130 -0.652 1.00 0.00 C ATOM 236 CG LEU A 18 -3.396 -0.046 -1.247 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.501 -0.629 -2.329 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.235 1.096 -1.803 1.00 0.00 C ATOM 0 H LEU A 18 -6.812 -0.829 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.378 -2.445 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.006 -0.654 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.678 -1.794 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.761 0.349 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.868 0.157 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.875 -1.411 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.117 -1.051 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.579 1.859 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.895 0.716 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.832 1.532 -1.002 1.00 0.00 H new ATOM 250 N SER A 19 -5.383 -4.319 -1.094 1.00 0.00 N ATOM 251 CA SER A 19 -6.021 -5.462 -0.450 1.00 0.00 C ATOM 252 C SER A 19 -5.144 -6.013 0.670 1.00 0.00 C ATOM 253 O SER A 19 -3.917 -5.930 0.613 1.00 0.00 O ATOM 254 CB SER A 19 -6.304 -6.559 -1.478 1.00 0.00 C ATOM 255 OG SER A 19 -5.305 -6.588 -2.482 1.00 0.00 O ATOM 0 H SER A 19 -4.577 -4.556 -1.672 1.00 0.00 H new ATOM 0 HA SER A 19 -6.964 -5.126 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.350 -7.527 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.279 -6.390 -1.936 1.00 0.00 H new ATOM 0 HG SER A 19 -5.508 -7.299 -3.125 1.00 0.00 H new ATOM 261 N PHE A 20 -5.784 -6.576 1.690 1.00 0.00 N ATOM 262 CA PHE A 20 -5.064 -7.141 2.826 1.00 0.00 C ATOM 263 C PHE A 20 -5.490 -8.584 3.076 1.00 0.00 C ATOM 264 O PHE A 20 -6.675 -8.873 3.249 1.00 0.00 O ATOM 265 CB PHE A 20 -5.309 -6.300 4.081 1.00 0.00 C ATOM 266 CG PHE A 20 -5.173 -4.822 3.848 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.960 -4.276 3.463 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.260 -3.979 4.014 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.832 -2.917 3.247 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.139 -2.619 3.800 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.923 -2.087 3.417 1.00 0.00 C ATOM 0 H PHE A 20 -6.799 -6.653 1.753 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.999 -7.130 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.309 -6.510 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.605 -6.604 4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.103 -4.920 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.213 -4.389 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.880 -2.505 2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.994 -1.973 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.826 -1.024 3.251 1.00 0.00 H new ATOM 281 N LEU A 21 -4.516 -9.487 3.094 1.00 0.00 N ATOM 282 CA LEU A 21 -4.788 -10.902 3.323 1.00 0.00 C ATOM 283 C LEU A 21 -3.987 -11.426 4.511 1.00 0.00 C ATOM 284 O LEU A 21 -2.759 -11.344 4.529 1.00 0.00 O ATOM 285 CB LEU A 21 -4.455 -11.715 2.070 1.00 0.00 C ATOM 286 CG LEU A 21 -4.260 -13.217 2.278 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.513 -13.841 2.872 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.897 -13.894 0.964 1.00 0.00 C ATOM 0 H LEU A 21 -3.531 -9.265 2.953 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.849 -11.011 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.255 -11.570 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.545 -11.308 1.628 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.439 -13.364 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.355 -14.910 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.730 -13.376 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.353 -13.684 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.762 -14.963 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.698 -13.738 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.971 -13.467 0.578 1.00 0.00 H new ATOM 300 N GLY A 22 -4.691 -11.966 5.501 1.00 0.00 N ATOM 301 CA GLY A 22 -4.028 -12.497 6.678 1.00 0.00 C ATOM 302 C GLY A 22 -4.433 -11.774 7.947 1.00 0.00 C ATOM 303 O GLY A 22 -4.745 -12.405 8.957 1.00 0.00 O ATOM 0 H GLY A 22 -5.708 -12.045 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.263 -13.557 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.948 -12.421 6.549 1.00 0.00 H new ATOM 307 N PHE A 23 -4.427 -10.446 7.897 1.00 0.00 N ATOM 308 CA PHE A 23 -4.794 -9.636 9.052 1.00 0.00 C ATOM 309 C PHE A 23 -6.217 -9.949 9.507 1.00 0.00 C ATOM 310 O PHE A 23 -7.060 -10.353 8.707 1.00 0.00 O ATOM 311 CB PHE A 23 -4.669 -8.148 8.719 1.00 0.00 C ATOM 312 CG PHE A 23 -3.407 -7.803 7.981 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.333 -7.943 6.605 1.00 0.00 C ATOM 314 CD2 PHE A 23 -2.295 -7.338 8.664 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.173 -7.626 5.923 1.00 0.00 C ATOM 316 CE2 PHE A 23 -1.133 -7.019 7.988 1.00 0.00 C ATOM 317 CZ PHE A 23 -1.071 -7.165 6.616 1.00 0.00 C ATOM 0 H PHE A 23 -4.172 -9.908 7.069 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.110 -9.878 9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.526 -7.845 8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.709 -7.572 9.644 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.192 -8.304 6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.337 -7.224 9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.129 -7.739 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.274 -6.656 8.532 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.163 -6.919 6.086 1.00 0.00 H new ATOM 327 N SER A 24 -6.474 -9.761 10.797 1.00 0.00 N ATOM 328 CA SER A 24 -7.793 -10.027 11.360 1.00 0.00 C ATOM 329 C SER A 24 -8.760 -8.891 11.040 1.00 0.00 C ATOM 330 O SER A 24 -8.360 -7.731 10.940 1.00 0.00 O ATOM 331 CB SER A 24 -7.695 -10.217 12.875 1.00 0.00 C ATOM 332 OG SER A 24 -7.136 -11.479 13.196 1.00 0.00 O ATOM 0 H SER A 24 -5.787 -9.426 11.472 1.00 0.00 H new ATOM 0 HA SER A 24 -8.175 -10.943 10.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.083 -9.425 13.305 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.686 -10.131 13.320 1.00 0.00 H new ATOM 0 HG SER A 24 -7.083 -11.575 14.170 1.00 0.00 H new ATOM 338 N ASP A 25 -10.033 -9.234 10.881 1.00 0.00 N ATOM 339 CA ASP A 25 -11.059 -8.244 10.574 1.00 0.00 C ATOM 340 C ASP A 25 -10.776 -6.928 11.291 1.00 0.00 C ATOM 341 O ASP A 25 -11.061 -5.852 10.766 1.00 0.00 O ATOM 342 CB ASP A 25 -12.440 -8.769 10.970 1.00 0.00 C ATOM 343 CG ASP A 25 -12.522 -9.127 12.441 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.745 -9.997 12.884 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.365 -8.537 13.149 1.00 0.00 O ATOM 0 H ASP A 25 -10.380 -10.190 10.960 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.043 -8.062 9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.192 -8.014 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.677 -9.648 10.371 1.00 0.00 H new ATOM 350 N GLU A 26 -10.215 -7.023 12.492 1.00 0.00 N ATOM 351 CA GLU A 26 -9.896 -5.839 13.281 1.00 0.00 C ATOM 352 C GLU A 26 -8.724 -5.076 12.669 1.00 0.00 C ATOM 353 O GLU A 26 -8.860 -3.915 12.284 1.00 0.00 O ATOM 354 CB GLU A 26 -9.565 -6.233 14.722 1.00 0.00 C ATOM 355 CG GLU A 26 -10.790 -6.369 15.612 1.00 0.00 C ATOM 356 CD GLU A 26 -10.435 -6.745 17.038 1.00 0.00 C ATOM 357 OE1 GLU A 26 -9.782 -5.931 17.722 1.00 0.00 O ATOM 358 OE2 GLU A 26 -10.812 -7.856 17.468 1.00 0.00 O ATOM 0 H GLU A 26 -9.972 -7.907 12.940 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.770 -5.188 13.281 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.024 -7.179 14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.896 -5.486 15.150 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.339 -5.428 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.455 -7.125 15.195 1.00 0.00 H new ATOM 365 N GLU A 27 -7.575 -5.739 12.584 1.00 0.00 N ATOM 366 CA GLU A 27 -6.379 -5.123 12.020 1.00 0.00 C ATOM 367 C GLU A 27 -6.652 -4.590 10.616 1.00 0.00 C ATOM 368 O GLU A 27 -6.170 -3.522 10.240 1.00 0.00 O ATOM 369 CB GLU A 27 -5.230 -6.132 11.980 1.00 0.00 C ATOM 370 CG GLU A 27 -4.746 -6.558 13.355 1.00 0.00 C ATOM 371 CD GLU A 27 -3.650 -7.605 13.290 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.928 -8.727 12.817 1.00 0.00 O ATOM 373 OE2 GLU A 27 -2.515 -7.301 13.713 1.00 0.00 O ATOM 0 H GLU A 27 -7.447 -6.701 12.898 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.096 -4.286 12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.552 -7.015 11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.396 -5.698 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.377 -5.685 13.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.587 -6.952 13.926 1.00 0.00 H new ATOM 380 N LYS A 28 -7.429 -5.343 9.844 1.00 0.00 N ATOM 381 CA LYS A 28 -7.767 -4.949 8.482 1.00 0.00 C ATOM 382 C LYS A 28 -8.653 -3.707 8.480 1.00 0.00 C ATOM 383 O LYS A 28 -8.448 -2.824 7.648 1.00 0.00 O ATOM 384 CB LYS A 28 -8.477 -6.095 7.759 1.00 0.00 C ATOM 385 CG LYS A 28 -8.400 -6.000 6.245 1.00 0.00 C ATOM 386 CD LYS A 28 -8.671 -7.343 5.587 1.00 0.00 C ATOM 387 CE LYS A 28 -10.158 -7.562 5.360 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.821 -8.155 6.555 1.00 0.00 N ATOM 0 H LYS A 28 -7.836 -6.230 10.139 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.841 -4.715 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.039 -7.041 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.524 -6.110 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.123 -5.267 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.413 -5.643 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.145 -7.395 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.276 -8.143 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.632 -6.611 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.301 -8.219 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.425 -8.948 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.098 -8.500 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.403 -7.432 7.024 1.00 0.00 H new ATOM 402 N HIS A 29 -9.605 -3.664 9.400 1.00 0.00 N ATOM 403 CA HIS A 29 -10.506 -2.529 9.493 1.00 0.00 C ATOM 404 C HIS A 29 -9.699 -1.229 9.473 1.00 0.00 C ATOM 405 O HIS A 29 -9.899 -0.350 8.635 1.00 0.00 O ATOM 406 CB HIS A 29 -11.406 -2.649 10.725 1.00 0.00 C ATOM 407 CG HIS A 29 -12.237 -1.418 11.000 1.00 0.00 C ATOM 408 ND1 HIS A 29 -12.950 -1.242 12.174 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.461 -0.306 10.243 1.00 0.00 C ATOM 410 CE1 HIS A 29 -13.571 -0.073 12.114 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.267 0.505 10.917 1.00 0.00 N ATOM 0 H HIS A 29 -9.772 -4.398 10.088 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.170 -2.517 8.629 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.071 -3.502 10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.786 -2.859 11.597 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.990 -1.900 12.952 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.052 -0.117 9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.206 0.348 12.879 1.00 0.00 H new ATOM 419 N SER A 30 -8.774 -1.128 10.422 1.00 0.00 N ATOM 420 CA SER A 30 -7.925 0.052 10.539 1.00 0.00 C ATOM 421 C SER A 30 -7.277 0.389 9.200 1.00 0.00 C ATOM 422 O SER A 30 -7.188 1.556 8.818 1.00 0.00 O ATOM 423 CB SER A 30 -6.845 -0.175 11.598 1.00 0.00 C ATOM 424 OG SER A 30 -7.402 -0.184 12.901 1.00 0.00 O ATOM 0 H SER A 30 -8.593 -1.849 11.121 1.00 0.00 H new ATOM 0 HA SER A 30 -8.551 0.892 10.842 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.339 -1.122 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.091 0.609 11.527 1.00 0.00 H new ATOM 0 HG SER A 30 -6.692 -0.333 13.559 1.00 0.00 H new ATOM 430 N MET A 31 -6.827 -0.641 8.491 1.00 0.00 N ATOM 431 CA MET A 31 -6.188 -0.455 7.193 1.00 0.00 C ATOM 432 C MET A 31 -7.173 0.120 6.180 1.00 0.00 C ATOM 433 O MET A 31 -6.928 1.173 5.593 1.00 0.00 O ATOM 434 CB MET A 31 -5.628 -1.783 6.681 1.00 0.00 C ATOM 435 CG MET A 31 -4.594 -2.404 7.606 1.00 0.00 C ATOM 436 SD MET A 31 -4.193 -4.104 7.159 1.00 0.00 S ATOM 437 CE MET A 31 -2.521 -3.908 6.548 1.00 0.00 C ATOM 0 H MET A 31 -6.893 -1.613 8.793 1.00 0.00 H new ATOM 0 HA MET A 31 -5.368 0.252 7.318 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.450 -2.486 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.178 -1.624 5.701 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.685 -1.803 7.584 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.967 -2.380 8.630 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.310 -4.682 5.810 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.415 -2.927 6.085 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.818 -3.996 7.377 1.00 0.00 H new ATOM 447 N GLU A 32 -8.286 -0.579 5.981 1.00 0.00 N ATOM 448 CA GLU A 32 -9.306 -0.138 5.037 1.00 0.00 C ATOM 449 C GLU A 32 -9.607 1.347 5.218 1.00 0.00 C ATOM 450 O GLU A 32 -9.430 2.143 4.296 1.00 0.00 O ATOM 451 CB GLU A 32 -10.587 -0.955 5.217 1.00 0.00 C ATOM 452 CG GLU A 32 -10.484 -2.373 4.681 1.00 0.00 C ATOM 453 CD GLU A 32 -11.572 -3.281 5.222 1.00 0.00 C ATOM 454 OE1 GLU A 32 -11.999 -3.071 6.377 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.996 -4.200 4.491 1.00 0.00 O ATOM 0 H GLU A 32 -8.504 -1.452 6.461 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.924 -0.294 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.838 -0.993 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.408 -0.444 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.542 -2.351 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.509 -2.786 4.940 1.00 0.00 H new ATOM 462 N GLU A 33 -10.064 1.712 6.411 1.00 0.00 N ATOM 463 CA GLU A 33 -10.392 3.101 6.712 1.00 0.00 C ATOM 464 C GLU A 33 -9.238 4.025 6.335 1.00 0.00 C ATOM 465 O GLU A 33 -9.448 5.096 5.766 1.00 0.00 O ATOM 466 CB GLU A 33 -10.723 3.260 8.197 1.00 0.00 C ATOM 467 CG GLU A 33 -12.016 2.576 8.609 1.00 0.00 C ATOM 468 CD GLU A 33 -13.242 3.413 8.300 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.164 4.652 8.436 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.280 2.829 7.922 1.00 0.00 O ATOM 0 H GLU A 33 -10.216 1.066 7.185 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.265 3.378 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.903 2.854 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.792 4.322 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.096 1.618 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.986 2.363 9.678 1.00 0.00 H new ATOM 477 N MET A 34 -8.020 3.604 6.657 1.00 0.00 N ATOM 478 CA MET A 34 -6.833 4.393 6.351 1.00 0.00 C ATOM 479 C MET A 34 -6.714 4.638 4.851 1.00 0.00 C ATOM 480 O MET A 34 -6.726 5.782 4.394 1.00 0.00 O ATOM 481 CB MET A 34 -5.577 3.686 6.866 1.00 0.00 C ATOM 482 CG MET A 34 -4.303 4.490 6.668 1.00 0.00 C ATOM 483 SD MET A 34 -3.976 5.622 8.033 1.00 0.00 S ATOM 484 CE MET A 34 -3.363 4.485 9.275 1.00 0.00 C ATOM 0 H MET A 34 -7.829 2.721 7.130 1.00 0.00 H new ATOM 0 HA MET A 34 -6.930 5.357 6.851 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.700 3.472 7.928 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.475 2.728 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.461 3.807 6.558 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.377 5.058 5.740 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.829 4.708 10.235 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.604 3.463 8.983 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.282 4.591 9.364 1.00 0.00 H new ATOM 494 N THR A 35 -6.598 3.556 4.086 1.00 0.00 N ATOM 495 CA THR A 35 -6.475 3.654 2.637 1.00 0.00 C ATOM 496 C THR A 35 -7.343 4.780 2.086 1.00 0.00 C ATOM 497 O THR A 35 -7.010 5.392 1.073 1.00 0.00 O ATOM 498 CB THR A 35 -6.870 2.333 1.950 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.168 1.239 2.551 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.561 2.384 0.461 1.00 0.00 C ATOM 0 H THR A 35 -6.587 2.602 4.447 1.00 0.00 H new ATOM 0 HA THR A 35 -5.428 3.868 2.422 1.00 0.00 H new ATOM 0 HB THR A 35 -7.943 2.189 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.448 0.400 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.848 1.440 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.120 3.199 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.493 2.549 0.316 1.00 0.00 H new ATOM 508 N GLU A 36 -8.457 5.047 2.762 1.00 0.00 N ATOM 509 CA GLU A 36 -9.372 6.100 2.338 1.00 0.00 C ATOM 510 C GLU A 36 -8.829 7.476 2.712 1.00 0.00 C ATOM 511 O GLU A 36 -8.521 8.290 1.843 1.00 0.00 O ATOM 512 CB GLU A 36 -10.750 5.893 2.971 1.00 0.00 C ATOM 513 CG GLU A 36 -11.682 5.034 2.133 1.00 0.00 C ATOM 514 CD GLU A 36 -12.396 5.827 1.056 1.00 0.00 C ATOM 515 OE1 GLU A 36 -11.792 6.781 0.522 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.559 5.493 0.747 1.00 0.00 O ATOM 0 H GLU A 36 -8.747 4.549 3.604 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.467 6.049 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.625 5.430 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.215 6.865 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.110 4.231 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.420 4.565 2.783 1.00 0.00 H new ATOM 523 N MET A 37 -8.716 7.727 4.013 1.00 0.00 N ATOM 524 CA MET A 37 -8.210 9.004 4.503 1.00 0.00 C ATOM 525 C MET A 37 -6.977 9.438 3.716 1.00 0.00 C ATOM 526 O MET A 37 -6.784 10.624 3.453 1.00 0.00 O ATOM 527 CB MET A 37 -7.871 8.905 5.991 1.00 0.00 C ATOM 528 CG MET A 37 -6.524 8.255 6.266 1.00 0.00 C ATOM 529 SD MET A 37 -5.972 8.494 7.966 1.00 0.00 S ATOM 530 CE MET A 37 -7.345 7.785 8.871 1.00 0.00 C ATOM 0 H MET A 37 -8.968 7.064 4.746 1.00 0.00 H new ATOM 0 HA MET A 37 -8.990 9.753 4.365 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.878 9.905 6.424 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.650 8.334 6.496 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.590 7.187 6.056 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.780 8.668 5.585 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.985 7.370 9.812 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.085 8.559 9.075 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.803 6.994 8.277 1.00 0.00 H new ATOM 540 N GLN A 38 -6.146 8.469 3.345 1.00 0.00 N ATOM 541 CA GLN A 38 -4.932 8.753 2.589 1.00 0.00 C ATOM 542 C GLN A 38 -5.265 9.190 1.167 1.00 0.00 C ATOM 543 O GLN A 38 -4.795 10.226 0.699 1.00 0.00 O ATOM 544 CB GLN A 38 -4.026 7.520 2.558 1.00 0.00 C ATOM 545 CG GLN A 38 -3.484 7.129 3.923 1.00 0.00 C ATOM 546 CD GLN A 38 -2.829 8.289 4.646 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.214 9.156 4.024 1.00 0.00 O ATOM 548 NE2 GLN A 38 -2.958 8.313 5.967 1.00 0.00 N ATOM 0 H GLN A 38 -6.291 7.482 3.555 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.407 9.569 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.584 6.680 2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.190 7.711 1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.298 6.738 4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.759 6.324 3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.476 7.574 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.539 9.070 6.507 1.00 0.00 H new ATOM 557 N GLY A 39 -6.079 8.392 0.483 1.00 0.00 N ATOM 558 CA GLY A 39 -6.461 8.713 -0.880 1.00 0.00 C ATOM 559 C GLY A 39 -6.562 7.482 -1.759 1.00 0.00 C ATOM 560 O GLY A 39 -6.080 7.479 -2.891 1.00 0.00 O ATOM 0 H GLY A 39 -6.481 7.529 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.420 9.230 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.731 9.401 -1.306 1.00 0.00 H new ATOM 564 N GLY A 40 -7.189 6.433 -1.237 1.00 0.00 N ATOM 565 CA GLY A 40 -7.338 5.205 -1.995 1.00 0.00 C ATOM 566 C GLY A 40 -8.508 4.367 -1.518 1.00 0.00 C ATOM 567 O GLY A 40 -9.069 4.622 -0.452 1.00 0.00 O ATOM 0 H GLY A 40 -7.597 6.412 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.474 5.447 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.421 4.621 -1.918 1.00 0.00 H new ATOM 571 N SER A 41 -8.878 3.365 -2.309 1.00 0.00 N ATOM 572 CA SER A 41 -9.992 2.490 -1.964 1.00 0.00 C ATOM 573 C SER A 41 -9.490 1.117 -1.526 1.00 0.00 C ATOM 574 O SER A 41 -8.322 0.780 -1.721 1.00 0.00 O ATOM 575 CB SER A 41 -10.940 2.342 -3.155 1.00 0.00 C ATOM 576 OG SER A 41 -11.753 3.493 -3.305 1.00 0.00 O ATOM 0 H SER A 41 -8.422 3.139 -3.193 1.00 0.00 H new ATOM 0 HA SER A 41 -10.532 2.942 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.363 2.179 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.570 1.463 -3.016 1.00 0.00 H new ATOM 0 HG SER A 41 -12.349 3.375 -4.074 1.00 0.00 H new ATOM 582 N TYR A 42 -10.381 0.330 -0.934 1.00 0.00 N ATOM 583 CA TYR A 42 -10.029 -1.006 -0.466 1.00 0.00 C ATOM 584 C TYR A 42 -11.051 -2.035 -0.938 1.00 0.00 C ATOM 585 O TYR A 42 -12.259 -1.807 -0.865 1.00 0.00 O ATOM 586 CB TYR A 42 -9.936 -1.026 1.061 1.00 0.00 C ATOM 587 CG TYR A 42 -11.095 -0.338 1.747 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.311 -0.987 1.917 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.972 0.960 2.226 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.373 -0.362 2.543 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.028 1.592 2.855 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.226 0.927 3.010 1.00 0.00 C ATOM 593 OH TYR A 42 -14.280 1.553 3.635 1.00 0.00 O ATOM 0 H TYR A 42 -11.352 0.593 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.058 -1.267 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.886 -2.061 1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.007 -0.545 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.429 -1.997 1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.036 1.484 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.313 -0.880 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.916 2.601 3.223 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.011 2.456 3.905 1.00 0.00 H new ATOM 603 N LEU A 43 -10.557 -3.170 -1.421 1.00 0.00 N ATOM 604 CA LEU A 43 -11.426 -4.237 -1.905 1.00 0.00 C ATOM 605 C LEU A 43 -11.052 -5.573 -1.271 1.00 0.00 C ATOM 606 O LEU A 43 -9.934 -5.772 -0.795 1.00 0.00 O ATOM 607 CB LEU A 43 -11.339 -4.341 -3.429 1.00 0.00 C ATOM 608 CG LEU A 43 -12.191 -3.347 -4.219 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.750 -3.306 -5.674 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.665 -3.709 -4.116 1.00 0.00 C ATOM 0 H LEU A 43 -9.560 -3.375 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.450 -3.995 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.298 -4.211 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.629 -5.350 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.051 -2.355 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.367 -2.593 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.706 -2.999 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.861 -4.296 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.257 -2.991 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.823 -4.709 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.973 -3.686 -3.071 1.00 0.00 H new ATOM 622 N PRO A 44 -12.009 -6.514 -1.265 1.00 0.00 N ATOM 623 CA PRO A 44 -11.803 -7.849 -0.695 1.00 0.00 C ATOM 624 C PRO A 44 -10.841 -8.692 -1.526 1.00 0.00 C ATOM 625 O PRO A 44 -10.818 -8.597 -2.753 1.00 0.00 O ATOM 626 CB PRO A 44 -13.205 -8.462 -0.713 1.00 0.00 C ATOM 627 CG PRO A 44 -13.918 -7.745 -1.807 1.00 0.00 C ATOM 628 CD PRO A 44 -13.364 -6.347 -1.815 1.00 0.00 C ATOM 0 HA PRO A 44 -11.356 -7.804 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.166 -9.535 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.709 -8.326 0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.754 -8.235 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.994 -7.738 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.340 -5.930 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.965 -5.673 -1.205 1.00 0.00 H new ATOM 636 N VAL A 45 -10.049 -9.518 -0.850 1.00 0.00 N ATOM 637 CA VAL A 45 -9.087 -10.379 -1.526 1.00 0.00 C ATOM 638 C VAL A 45 -9.778 -11.286 -2.539 1.00 0.00 C ATOM 639 O VAL A 45 -10.826 -11.864 -2.256 1.00 0.00 O ATOM 640 CB VAL A 45 -8.309 -11.250 -0.521 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.315 -12.144 -1.246 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.604 -10.376 0.506 1.00 0.00 C ATOM 0 H VAL A 45 -10.055 -9.609 0.166 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.387 -9.724 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.018 -11.889 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.775 -12.752 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.849 -12.795 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.608 -11.527 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.059 -11.007 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.905 -9.710 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.342 -9.784 1.047 1.00 0.00 H new ATOM 652 N GLY A 46 -9.181 -11.406 -3.721 1.00 0.00 N ATOM 653 CA GLY A 46 -9.753 -12.244 -4.758 1.00 0.00 C ATOM 654 C GLY A 46 -10.153 -11.453 -5.988 1.00 0.00 C ATOM 655 O GLY A 46 -9.900 -11.876 -7.116 1.00 0.00 O ATOM 0 H GLY A 46 -8.312 -10.938 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.031 -13.010 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.627 -12.761 -4.362 1.00 0.00 H new ATOM 659 N ASP A 47 -10.781 -10.303 -5.771 1.00 0.00 N ATOM 660 CA ASP A 47 -11.218 -9.451 -6.871 1.00 0.00 C ATOM 661 C ASP A 47 -10.031 -9.013 -7.724 1.00 0.00 C ATOM 662 O ASP A 47 -8.895 -8.978 -7.251 1.00 0.00 O ATOM 663 CB ASP A 47 -11.954 -8.224 -6.332 1.00 0.00 C ATOM 664 CG ASP A 47 -12.767 -7.520 -7.401 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.172 -7.091 -8.412 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.997 -7.399 -7.228 1.00 0.00 O ATOM 0 H ASP A 47 -10.999 -9.939 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.899 -10.028 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.614 -8.528 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.230 -7.526 -5.911 1.00 0.00 H new ATOM 671 N GLU A 48 -10.303 -8.681 -8.982 1.00 0.00 N ATOM 672 CA GLU A 48 -9.257 -8.248 -9.900 1.00 0.00 C ATOM 673 C GLU A 48 -9.112 -6.729 -9.883 1.00 0.00 C ATOM 674 O GLU A 48 -8.000 -6.201 -9.907 1.00 0.00 O ATOM 675 CB GLU A 48 -9.565 -8.726 -11.321 1.00 0.00 C ATOM 676 CG GLU A 48 -10.825 -8.113 -11.909 1.00 0.00 C ATOM 677 CD GLU A 48 -11.300 -8.839 -13.153 1.00 0.00 C ATOM 678 OE1 GLU A 48 -11.387 -10.084 -13.118 1.00 0.00 O ATOM 679 OE2 GLU A 48 -11.585 -8.160 -14.162 1.00 0.00 O ATOM 0 H GLU A 48 -11.238 -8.704 -9.388 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.316 -8.689 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.720 -8.488 -11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.667 -9.811 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.616 -8.128 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.637 -7.067 -12.152 1.00 0.00 H new ATOM 686 N ARG A 49 -10.244 -6.033 -9.841 1.00 0.00 N ATOM 687 CA ARG A 49 -10.244 -4.576 -9.822 1.00 0.00 C ATOM 688 C ARG A 49 -9.059 -4.042 -9.022 1.00 0.00 C ATOM 689 O ARG A 49 -8.455 -3.033 -9.386 1.00 0.00 O ATOM 690 CB ARG A 49 -11.552 -4.052 -9.227 1.00 0.00 C ATOM 691 CG ARG A 49 -12.775 -4.368 -10.072 1.00 0.00 C ATOM 692 CD ARG A 49 -13.889 -3.359 -9.839 1.00 0.00 C ATOM 693 NE ARG A 49 -13.536 -2.031 -10.333 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.262 -0.943 -10.100 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.374 -1.026 -9.383 1.00 0.00 N ATOM 696 NH2 ARG A 49 -13.876 0.230 -10.584 1.00 0.00 N ATOM 0 H ARG A 49 -11.172 -6.455 -9.820 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.154 -4.225 -10.850 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.687 -4.480 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.477 -2.972 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.499 -4.370 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.134 -5.369 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.797 -3.701 -10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.110 -3.302 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.685 -1.933 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.674 -1.926 -9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.930 -0.189 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.021 0.298 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.434 1.065 -10.404 1.00 0.00 H new ATOM 710 N CYS A 50 -8.733 -4.726 -7.930 1.00 0.00 N ATOM 711 CA CYS A 50 -7.622 -4.320 -7.077 1.00 0.00 C ATOM 712 C CYS A 50 -6.328 -4.222 -7.880 1.00 0.00 C ATOM 713 O CYS A 50 -5.966 -5.145 -8.610 1.00 0.00 O ATOM 714 CB CYS A 50 -7.448 -5.311 -5.925 1.00 0.00 C ATOM 715 SG CYS A 50 -7.048 -6.993 -6.453 1.00 0.00 S ATOM 0 H CYS A 50 -9.222 -5.564 -7.615 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.850 -3.336 -6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.658 -4.951 -5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.366 -5.334 -5.338 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.111 -7.558 -6.944 1.00 0.00 H new ATOM 721 N THR A 51 -5.635 -3.096 -7.740 1.00 0.00 N ATOM 722 CA THR A 51 -4.384 -2.876 -8.454 1.00 0.00 C ATOM 723 C THR A 51 -3.204 -3.467 -7.691 1.00 0.00 C ATOM 724 O THR A 51 -2.334 -4.079 -8.308 1.00 0.00 O ATOM 725 CB THR A 51 -4.128 -1.375 -8.689 1.00 0.00 C ATOM 726 OG1 THR A 51 -3.929 -0.710 -7.437 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.294 -0.737 -9.428 1.00 0.00 C ATOM 0 H THR A 51 -5.919 -2.323 -7.139 1.00 0.00 H new ATOM 0 HA THR A 51 -4.478 -3.377 -9.418 1.00 0.00 H new ATOM 0 HB THR A 51 -3.231 -1.273 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.765 0.243 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.091 0.323 -9.583 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.424 -1.226 -10.393 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.204 -0.850 -8.838 1.00 0.00 H new ATOM 735 N HIS A 52 -3.200 -3.275 -6.380 1.00 0.00 N ATOM 736 CA HIS A 52 -2.126 -3.795 -5.551 1.00 0.00 C ATOM 737 C HIS A 52 -2.673 -4.880 -4.622 1.00 0.00 C ATOM 738 O HIS A 52 -3.881 -5.090 -4.502 1.00 0.00 O ATOM 739 CB HIS A 52 -1.428 -2.663 -4.794 1.00 0.00 C ATOM 740 CG HIS A 52 -0.714 -1.676 -5.686 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.378 -0.874 -6.598 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.610 -1.369 -5.796 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.483 -0.123 -7.224 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.748 -0.432 -6.726 1.00 0.00 N ATOM 0 H HIS A 52 -3.923 -2.767 -5.872 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.366 -4.256 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.167 -2.129 -4.197 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.709 -3.095 -4.098 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.385 -0.863 -6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.411 -1.813 -5.223 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.692 0.606 -7.993 1.00 0.00 H new ATOM 752 N LEU A 53 -1.751 -5.571 -3.961 1.00 0.00 N ATOM 753 CA LEU A 53 -2.112 -6.640 -3.036 1.00 0.00 C ATOM 754 C LEU A 53 -1.082 -6.764 -1.918 1.00 0.00 C ATOM 755 O LEU A 53 0.071 -7.120 -2.160 1.00 0.00 O ATOM 756 CB LEU A 53 -2.232 -7.969 -3.784 1.00 0.00 C ATOM 757 CG LEU A 53 -2.200 -9.231 -2.920 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.225 -9.138 -1.801 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.448 -10.467 -3.772 1.00 0.00 C ATOM 0 H LEU A 53 -0.748 -5.410 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.076 -6.392 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.165 -7.963 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.421 -8.029 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.210 -9.316 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.188 -10.045 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.002 -8.275 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.222 -9.028 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.422 -11.355 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.425 -10.390 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.675 -10.543 -4.537 1.00 0.00 H new ATOM 771 N ILE A 54 -1.507 -6.470 -0.694 1.00 0.00 N ATOM 772 CA ILE A 54 -0.623 -6.552 0.462 1.00 0.00 C ATOM 773 C ILE A 54 -0.973 -7.749 1.339 1.00 0.00 C ATOM 774 O ILE A 54 -1.966 -7.729 2.067 1.00 0.00 O ATOM 775 CB ILE A 54 -0.688 -5.270 1.313 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.281 -4.055 0.476 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.206 -5.400 2.537 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.429 -3.438 -0.292 1.00 0.00 C ATOM 0 H ILE A 54 -2.458 -6.173 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 54 0.389 -6.671 0.076 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.715 -5.128 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.153 -3.301 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.497 -4.352 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.149 -4.486 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.125 -6.244 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.236 -5.563 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.067 -2.582 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.849 -4.177 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.199 -3.109 0.406 1.00 0.00 H new ATOM 790 N VAL A 55 -0.151 -8.791 1.265 1.00 0.00 N ATOM 791 CA VAL A 55 -0.372 -9.997 2.054 1.00 0.00 C ATOM 792 C VAL A 55 0.634 -10.098 3.195 1.00 0.00 C ATOM 793 O VAL A 55 1.836 -9.936 2.991 1.00 0.00 O ATOM 794 CB VAL A 55 -0.273 -11.263 1.183 1.00 0.00 C ATOM 795 CG1 VAL A 55 0.964 -11.210 0.300 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.262 -12.509 2.056 1.00 0.00 C ATOM 0 H VAL A 55 0.674 -8.824 0.666 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.379 -9.927 2.466 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.149 -11.307 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.016 -12.113 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.909 -10.337 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.854 -11.141 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.192 -13.395 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.595 -12.474 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.181 -12.552 2.640 1.00 0.00 H new ATOM 806 N GLU A 56 0.133 -10.369 4.396 1.00 0.00 N ATOM 807 CA GLU A 56 0.988 -10.492 5.571 1.00 0.00 C ATOM 808 C GLU A 56 1.837 -11.758 5.495 1.00 0.00 C ATOM 809 O GLU A 56 1.424 -12.822 5.956 1.00 0.00 O ATOM 810 CB GLU A 56 0.143 -10.507 6.846 1.00 0.00 C ATOM 811 CG GLU A 56 0.915 -10.110 8.093 1.00 0.00 C ATOM 812 CD GLU A 56 2.313 -10.697 8.125 1.00 0.00 C ATOM 813 OE1 GLU A 56 3.111 -10.380 7.218 1.00 0.00 O ATOM 814 OE2 GLU A 56 2.609 -11.473 9.058 1.00 0.00 O ATOM 0 H GLU A 56 -0.860 -10.508 4.581 1.00 0.00 H new ATOM 0 HA GLU A 56 1.654 -9.629 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.701 -9.829 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.269 -11.506 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.980 -9.023 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.366 -10.439 8.976 1.00 0.00 H new ATOM 821 N GLU A 57 3.024 -11.634 4.910 1.00 0.00 N ATOM 822 CA GLU A 57 3.930 -12.769 4.773 1.00 0.00 C ATOM 823 C GLU A 57 4.427 -13.236 6.138 1.00 0.00 C ATOM 824 O GLU A 57 4.386 -14.425 6.451 1.00 0.00 O ATOM 825 CB GLU A 57 5.119 -12.396 3.885 1.00 0.00 C ATOM 826 CG GLU A 57 5.948 -11.245 4.430 1.00 0.00 C ATOM 827 CD GLU A 57 6.961 -11.695 5.465 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.598 -12.748 5.255 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.116 -10.992 6.486 1.00 0.00 O ATOM 0 H GLU A 57 3.381 -10.760 4.524 1.00 0.00 H new ATOM 0 HA GLU A 57 3.380 -13.586 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.760 -13.269 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.752 -12.131 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.468 -10.755 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.285 -10.503 4.875 1.00 0.00 H new ATOM 836 N ASN A 58 4.896 -12.291 6.945 1.00 0.00 N ATOM 837 CA ASN A 58 5.402 -12.606 8.277 1.00 0.00 C ATOM 838 C ASN A 58 4.547 -13.679 8.944 1.00 0.00 C ATOM 839 O ASN A 58 5.020 -14.417 9.809 1.00 0.00 O ATOM 840 CB ASN A 58 5.430 -11.346 9.145 1.00 0.00 C ATOM 841 CG ASN A 58 6.751 -10.608 9.050 1.00 0.00 C ATOM 842 OD1 ASN A 58 7.786 -11.103 9.496 1.00 0.00 O ATOM 843 ND2 ASN A 58 6.721 -9.415 8.466 1.00 0.00 N ATOM 0 H ASN A 58 4.937 -11.301 6.701 1.00 0.00 H new ATOM 0 HA ASN A 58 6.417 -12.989 8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.622 -10.680 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.243 -11.619 10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.579 -8.871 8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.840 -9.043 8.110 1.00 0.00 H new ATOM 850 N THR A 59 3.285 -13.760 8.536 1.00 0.00 N ATOM 851 CA THR A 59 2.363 -14.742 9.094 1.00 0.00 C ATOM 852 C THR A 59 1.795 -15.644 8.005 1.00 0.00 C ATOM 853 O THR A 59 1.330 -16.750 8.280 1.00 0.00 O ATOM 854 CB THR A 59 1.200 -14.060 9.839 1.00 0.00 C ATOM 855 OG1 THR A 59 0.339 -15.050 10.413 1.00 0.00 O ATOM 856 CG2 THR A 59 0.402 -13.170 8.899 1.00 0.00 C ATOM 0 H THR A 59 2.877 -13.157 7.821 1.00 0.00 H new ATOM 0 HA THR A 59 2.933 -15.345 9.800 1.00 0.00 H new ATOM 0 HB THR A 59 1.619 -13.440 10.631 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.397 -14.609 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.414 -12.700 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.054 -12.400 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.007 -13.772 8.087 1.00 0.00 H new ATOM 864 N VAL A 60 1.835 -15.165 6.765 1.00 0.00 N ATOM 865 CA VAL A 60 1.325 -15.929 5.633 1.00 0.00 C ATOM 866 C VAL A 60 2.441 -16.715 4.954 1.00 0.00 C ATOM 867 O VAL A 60 3.619 -16.382 5.085 1.00 0.00 O ATOM 868 CB VAL A 60 0.651 -15.012 4.595 1.00 0.00 C ATOM 869 CG1 VAL A 60 0.253 -15.806 3.360 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.556 -14.316 5.204 1.00 0.00 C ATOM 0 H VAL A 60 2.216 -14.251 6.519 1.00 0.00 H new ATOM 0 HA VAL A 60 0.584 -16.624 6.027 1.00 0.00 H new ATOM 0 HB VAL A 60 1.367 -14.248 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.222 -15.142 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.141 -16.253 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.446 -16.593 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.020 -13.672 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.277 -15.063 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.238 -13.714 6.055 1.00 0.00 H new ATOM 880 N LYS A 61 2.062 -17.759 4.225 1.00 0.00 N ATOM 881 CA LYS A 61 3.029 -18.593 3.521 1.00 0.00 C ATOM 882 C LYS A 61 2.616 -18.797 2.067 1.00 0.00 C ATOM 883 O LYS A 61 3.423 -18.625 1.153 1.00 0.00 O ATOM 884 CB LYS A 61 3.167 -19.948 4.218 1.00 0.00 C ATOM 885 CG LYS A 61 1.848 -20.514 4.715 1.00 0.00 C ATOM 886 CD LYS A 61 2.040 -21.366 5.959 1.00 0.00 C ATOM 887 CE LYS A 61 2.293 -22.822 5.603 1.00 0.00 C ATOM 888 NZ LYS A 61 3.659 -23.028 5.047 1.00 0.00 N ATOM 0 H LYS A 61 1.091 -18.048 4.106 1.00 0.00 H new ATOM 0 HA LYS A 61 3.992 -18.082 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.620 -20.658 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.849 -19.845 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.160 -19.697 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.389 -21.114 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.879 -20.981 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.155 -21.293 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.166 -23.440 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.551 -23.152 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.928 -24.028 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.667 -22.767 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.338 -22.434 5.564 1.00 0.00 H new ATOM 902 N ASP A 62 1.356 -19.162 1.861 1.00 0.00 N ATOM 903 CA ASP A 62 0.835 -19.387 0.517 1.00 0.00 C ATOM 904 C ASP A 62 -0.480 -18.641 0.312 1.00 0.00 C ATOM 905 O ASP A 62 -1.257 -18.462 1.251 1.00 0.00 O ATOM 906 CB ASP A 62 0.631 -20.882 0.270 1.00 0.00 C ATOM 907 CG ASP A 62 1.886 -21.690 0.539 1.00 0.00 C ATOM 908 OD1 ASP A 62 2.993 -21.128 0.405 1.00 0.00 O ATOM 909 OD2 ASP A 62 1.760 -22.883 0.884 1.00 0.00 O ATOM 0 H ASP A 62 0.676 -19.309 2.607 1.00 0.00 H new ATOM 0 HA ASP A 62 1.564 -19.005 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.175 -21.246 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.317 -21.037 -0.762 1.00 0.00 H new ATOM 914 N LEU A 63 -0.722 -18.206 -0.920 1.00 0.00 N ATOM 915 CA LEU A 63 -1.942 -17.478 -1.248 1.00 0.00 C ATOM 916 C LEU A 63 -3.105 -18.439 -1.477 1.00 0.00 C ATOM 917 O LEU A 63 -2.947 -19.518 -2.048 1.00 0.00 O ATOM 918 CB LEU A 63 -1.726 -16.616 -2.493 1.00 0.00 C ATOM 919 CG LEU A 63 -0.625 -15.559 -2.394 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.324 -14.972 -3.765 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.025 -14.462 -1.418 1.00 0.00 C ATOM 0 H LEU A 63 -0.089 -18.345 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.188 -16.833 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.496 -17.274 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.664 -16.114 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 63 0.280 -16.038 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.462 -14.222 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.007 -15.765 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.224 -14.508 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.230 -13.719 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.943 -13.985 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.189 -14.895 -0.431 1.00 0.00 H new ATOM 933 N PRO A 64 -4.302 -18.038 -1.024 1.00 0.00 N ATOM 934 CA PRO A 64 -5.515 -18.848 -1.170 1.00 0.00 C ATOM 935 C PRO A 64 -5.983 -18.934 -2.619 1.00 0.00 C ATOM 936 O PRO A 64 -6.829 -19.761 -2.960 1.00 0.00 O ATOM 937 CB PRO A 64 -6.545 -18.101 -0.319 1.00 0.00 C ATOM 938 CG PRO A 64 -6.065 -16.691 -0.294 1.00 0.00 C ATOM 939 CD PRO A 64 -4.563 -16.764 -0.334 1.00 0.00 C ATOM 0 HA PRO A 64 -5.355 -19.881 -0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.543 -18.172 -0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.604 -18.517 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.451 -16.132 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.407 -16.178 0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.134 -15.920 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.133 -16.754 0.668 1.00 0.00 H new ATOM 947 N PHE A 65 -5.428 -18.075 -3.467 1.00 0.00 N ATOM 948 CA PHE A 65 -5.789 -18.054 -4.880 1.00 0.00 C ATOM 949 C PHE A 65 -4.575 -17.735 -5.747 1.00 0.00 C ATOM 950 O PHE A 65 -3.521 -17.354 -5.240 1.00 0.00 O ATOM 951 CB PHE A 65 -6.894 -17.025 -5.130 1.00 0.00 C ATOM 952 CG PHE A 65 -6.386 -15.616 -5.243 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.781 -14.996 -4.162 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.514 -14.912 -6.429 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.312 -13.699 -4.262 1.00 0.00 C ATOM 956 CE2 PHE A 65 -6.047 -13.616 -6.535 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.446 -13.008 -5.450 1.00 0.00 C ATOM 0 H PHE A 65 -4.726 -17.384 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.156 -19.044 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.423 -17.287 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.619 -17.077 -4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.674 -15.532 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.984 -15.381 -7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.842 -13.227 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.152 -13.078 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.082 -11.994 -5.531 1.00 0.00 H new ATOM 967 N GLU A 66 -4.733 -17.895 -7.057 1.00 0.00 N ATOM 968 CA GLU A 66 -3.649 -17.626 -7.995 1.00 0.00 C ATOM 969 C GLU A 66 -3.913 -16.343 -8.778 1.00 0.00 C ATOM 970 O GLU A 66 -4.531 -16.352 -9.843 1.00 0.00 O ATOM 971 CB GLU A 66 -3.477 -18.800 -8.961 1.00 0.00 C ATOM 972 CG GLU A 66 -2.224 -18.706 -9.816 1.00 0.00 C ATOM 973 CD GLU A 66 -0.975 -19.128 -9.067 1.00 0.00 C ATOM 974 OE1 GLU A 66 -0.872 -20.320 -8.708 1.00 0.00 O ATOM 975 OE2 GLU A 66 -0.100 -18.266 -8.840 1.00 0.00 O ATOM 0 H GLU A 66 -5.600 -18.209 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.730 -17.499 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.448 -19.728 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.349 -18.854 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.343 -19.334 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.104 -17.681 -10.167 1.00 0.00 H new ATOM 982 N PRO A 67 -3.436 -15.212 -8.238 1.00 0.00 N ATOM 983 CA PRO A 67 -3.608 -13.899 -8.868 1.00 0.00 C ATOM 984 C PRO A 67 -2.782 -13.755 -10.142 1.00 0.00 C ATOM 985 O PRO A 67 -1.824 -14.497 -10.359 1.00 0.00 O ATOM 986 CB PRO A 67 -3.114 -12.924 -7.797 1.00 0.00 C ATOM 987 CG PRO A 67 -2.163 -13.719 -6.971 1.00 0.00 C ATOM 988 CD PRO A 67 -2.691 -15.127 -6.971 1.00 0.00 C ATOM 0 HA PRO A 67 -4.639 -13.727 -9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.623 -12.060 -8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.940 -12.545 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.157 -13.680 -7.388 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.103 -13.325 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.884 -15.859 -6.929 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.336 -15.314 -6.112 1.00 0.00 H new ATOM 996 N SER A 68 -3.160 -12.797 -10.982 1.00 0.00 N ATOM 997 CA SER A 68 -2.456 -12.558 -12.236 1.00 0.00 C ATOM 998 C SER A 68 -1.201 -11.722 -12.004 1.00 0.00 C ATOM 999 O SER A 68 -1.044 -11.092 -10.958 1.00 0.00 O ATOM 1000 CB SER A 68 -3.375 -11.852 -13.235 1.00 0.00 C ATOM 1001 OG SER A 68 -4.232 -12.777 -13.882 1.00 0.00 O ATOM 0 H SER A 68 -3.950 -12.174 -10.817 1.00 0.00 H new ATOM 0 HA SER A 68 -2.158 -13.523 -12.646 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.971 -11.100 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.775 -11.327 -13.978 1.00 0.00 H new ATOM 0 HG SER A 68 -4.810 -12.301 -14.514 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.308 -11.722 -12.988 1.00 0.00 N ATOM 1008 CA LYS A 69 0.934 -10.964 -12.894 1.00 0.00 C ATOM 1009 C LYS A 69 0.651 -9.476 -12.718 1.00 0.00 C ATOM 1010 O LYS A 69 1.238 -8.819 -11.859 1.00 0.00 O ATOM 1011 CB LYS A 69 1.788 -11.188 -14.145 1.00 0.00 C ATOM 1012 CG LYS A 69 2.644 -12.440 -14.080 1.00 0.00 C ATOM 1013 CD LYS A 69 3.856 -12.334 -14.990 1.00 0.00 C ATOM 1014 CE LYS A 69 3.479 -12.547 -16.448 1.00 0.00 C ATOM 1015 NZ LYS A 69 4.573 -12.134 -17.371 1.00 0.00 N ATOM 0 H LYS A 69 -0.421 -12.239 -13.860 1.00 0.00 H new ATOM 0 HA LYS A 69 1.481 -11.317 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.134 -11.250 -15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.435 -10.323 -14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.972 -12.605 -13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.047 -13.306 -14.367 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.316 -11.353 -14.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.600 -13.073 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.243 -13.598 -16.612 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.577 -11.979 -16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.277 -12.295 -18.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.781 -11.124 -17.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.426 -12.694 -17.171 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.253 -8.949 -13.538 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.616 -7.539 -13.472 1.00 0.00 C ATOM 1031 C LYS A 70 -0.734 -7.074 -12.023 1.00 0.00 C ATOM 1032 O LYS A 70 -0.201 -6.028 -11.651 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.938 -7.297 -14.205 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.106 -8.075 -13.625 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.218 -8.253 -14.645 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.189 -7.082 -14.622 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.434 -7.379 -15.384 1.00 0.00 N ATOM 0 H LYS A 70 -0.747 -9.478 -14.256 1.00 0.00 H new ATOM 0 HA LYS A 70 0.173 -6.964 -13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.171 -6.233 -14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.817 -7.568 -15.254 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.761 -9.052 -13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.494 -7.553 -12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.787 -8.350 -15.641 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.757 -9.178 -14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.444 -6.841 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.706 -6.201 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.070 -6.557 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.194 -7.584 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.909 -8.204 -14.965 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.433 -7.859 -11.210 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.619 -7.529 -9.802 1.00 0.00 C ATOM 1053 C LEU A 71 -0.285 -7.528 -9.062 1.00 0.00 C ATOM 1054 O LEU A 71 0.392 -8.553 -8.979 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.577 -8.524 -9.146 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.881 -8.289 -7.666 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.950 -7.219 -7.504 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.316 -9.585 -6.999 1.00 0.00 C ATOM 0 H LEU A 71 -1.880 -8.728 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.048 -6.529 -9.743 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.518 -8.508 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.160 -9.525 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.970 -7.941 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.153 -7.065 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.601 -6.286 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.863 -7.538 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.528 -9.399 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.213 -9.963 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.518 -10.323 -7.083 1.00 0.00 H new ATOM 1070 N PHE A 72 0.087 -6.370 -8.524 1.00 0.00 N ATOM 1071 CA PHE A 72 1.340 -6.236 -7.790 1.00 0.00 C ATOM 1072 C PHE A 72 1.163 -6.651 -6.332 1.00 0.00 C ATOM 1073 O PHE A 72 0.330 -6.097 -5.614 1.00 0.00 O ATOM 1074 CB PHE A 72 1.847 -4.794 -7.864 1.00 0.00 C ATOM 1075 CG PHE A 72 2.222 -4.362 -9.252 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.445 -4.719 -9.797 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.352 -3.598 -10.014 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.794 -4.321 -11.074 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.695 -3.198 -11.292 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.917 -3.561 -11.822 1.00 0.00 C ATOM 0 H PHE A 72 -0.461 -5.512 -8.583 1.00 0.00 H new ATOM 0 HA PHE A 72 2.075 -6.896 -8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.076 -4.126 -7.480 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.714 -4.688 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.134 -5.315 -9.217 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.395 -3.312 -9.604 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.751 -4.604 -11.486 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.008 -2.602 -11.875 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.187 -3.251 -12.821 1.00 0.00 H new ATOM 1090 N VAL A 73 1.952 -7.630 -5.902 1.00 0.00 N ATOM 1091 CA VAL A 73 1.884 -8.119 -4.530 1.00 0.00 C ATOM 1092 C VAL A 73 3.111 -7.692 -3.732 1.00 0.00 C ATOM 1093 O VAL A 73 4.236 -8.077 -4.050 1.00 0.00 O ATOM 1094 CB VAL A 73 1.766 -9.654 -4.487 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.434 -10.125 -3.079 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.719 -10.136 -5.480 1.00 0.00 C ATOM 0 H VAL A 73 2.646 -8.100 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 73 0.993 -7.680 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 73 2.727 -10.083 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.355 -11.212 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.223 -9.812 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.486 -9.689 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.649 -11.223 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.248 -9.700 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.005 -9.831 -6.487 1.00 0.00 H new ATOM 1106 N VAL A 74 2.887 -6.894 -2.693 1.00 0.00 N ATOM 1107 CA VAL A 74 3.974 -6.415 -1.848 1.00 0.00 C ATOM 1108 C VAL A 74 3.780 -6.855 -0.402 1.00 0.00 C ATOM 1109 O VAL A 74 2.833 -7.573 -0.081 1.00 0.00 O ATOM 1110 CB VAL A 74 4.087 -4.880 -1.895 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.526 -4.419 -3.277 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.765 -4.236 -1.505 1.00 0.00 C ATOM 0 H VAL A 74 1.962 -6.565 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 74 4.894 -6.851 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 74 4.844 -4.567 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.600 -3.332 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.498 -4.852 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.795 -4.742 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.863 -3.151 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.987 -4.555 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.497 -4.540 -0.493 1.00 0.00 H new ATOM 1122 N LYS A 75 4.683 -6.418 0.470 1.00 0.00 N ATOM 1123 CA LYS A 75 4.612 -6.765 1.884 1.00 0.00 C ATOM 1124 C LYS A 75 3.778 -5.745 2.653 1.00 0.00 C ATOM 1125 O LYS A 75 3.371 -4.722 2.103 1.00 0.00 O ATOM 1126 CB LYS A 75 6.019 -6.844 2.483 1.00 0.00 C ATOM 1127 CG LYS A 75 6.888 -7.918 1.852 1.00 0.00 C ATOM 1128 CD LYS A 75 8.363 -7.563 1.937 1.00 0.00 C ATOM 1129 CE LYS A 75 9.149 -8.168 0.785 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.565 -8.439 1.160 1.00 0.00 N ATOM 0 H LYS A 75 5.473 -5.822 0.221 1.00 0.00 H new ATOM 0 HA LYS A 75 4.132 -7.740 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.509 -5.877 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.939 -7.035 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.713 -8.870 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.604 -8.050 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.479 -6.479 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.770 -7.919 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.673 -9.096 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.123 -7.490 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.067 -8.851 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.027 -7.549 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.591 -9.106 1.957 1.00 0.00 H new ATOM 1144 N GLN A 76 3.530 -6.030 3.927 1.00 0.00 N ATOM 1145 CA GLN A 76 2.745 -5.136 4.771 1.00 0.00 C ATOM 1146 C GLN A 76 3.449 -3.794 4.945 1.00 0.00 C ATOM 1147 O GLN A 76 2.802 -2.752 5.042 1.00 0.00 O ATOM 1148 CB GLN A 76 2.498 -5.777 6.138 1.00 0.00 C ATOM 1149 CG GLN A 76 3.755 -5.919 6.980 1.00 0.00 C ATOM 1150 CD GLN A 76 4.671 -7.019 6.480 1.00 0.00 C ATOM 1151 OE1 GLN A 76 4.121 -8.216 6.310 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.860 -6.797 6.250 1.00 0.00 N flip ATOM 0 H GLN A 76 3.861 -6.872 4.398 1.00 0.00 H new ATOM 0 HA GLN A 76 1.787 -4.962 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.770 -5.177 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.055 -6.762 5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.296 -4.973 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.475 -6.126 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.241 -5.862 6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.464 -7.548 5.915 1.00 0.00 H new ATOM 1161 N GLU A 77 4.777 -3.829 4.984 1.00 0.00 N ATOM 1162 CA GLU A 77 5.568 -2.615 5.148 1.00 0.00 C ATOM 1163 C GLU A 77 5.173 -1.565 4.114 1.00 0.00 C ATOM 1164 O GLU A 77 4.988 -0.393 4.444 1.00 0.00 O ATOM 1165 CB GLU A 77 7.060 -2.931 5.025 1.00 0.00 C ATOM 1166 CG GLU A 77 7.949 -1.992 5.823 1.00 0.00 C ATOM 1167 CD GLU A 77 7.885 -2.255 7.315 1.00 0.00 C ATOM 1168 OE1 GLU A 77 6.861 -1.899 7.936 1.00 0.00 O ATOM 1169 OE2 GLU A 77 8.857 -2.817 7.861 1.00 0.00 O ATOM 0 H GLU A 77 5.327 -4.684 4.904 1.00 0.00 H new ATOM 0 HA GLU A 77 5.370 -2.214 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.235 -3.954 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.347 -2.885 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.979 -2.097 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.652 -0.962 5.626 1.00 0.00 H new ATOM 1176 N TRP A 78 5.046 -1.993 2.863 1.00 0.00 N ATOM 1177 CA TRP A 78 4.673 -1.090 1.780 1.00 0.00 C ATOM 1178 C TRP A 78 3.516 -0.189 2.197 1.00 0.00 C ATOM 1179 O TRP A 78 3.649 1.035 2.229 1.00 0.00 O ATOM 1180 CB TRP A 78 4.292 -1.887 0.532 1.00 0.00 C ATOM 1181 CG TRP A 78 4.069 -1.028 -0.676 1.00 0.00 C ATOM 1182 CD1 TRP A 78 4.988 -0.708 -1.635 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.850 -0.379 -1.053 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.414 0.101 -2.585 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.103 0.317 -2.252 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.570 -0.319 -0.496 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.122 1.063 -2.900 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.598 0.422 -1.140 1.00 0.00 C ATOM 1189 CH2 TRP A 78 0.877 1.104 -2.332 1.00 0.00 C ATOM 0 H TRP A 78 5.196 -2.960 2.573 1.00 0.00 H new ATOM 0 HA TRP A 78 5.534 -0.462 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.080 -2.608 0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.386 -2.457 0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.015 -1.042 -1.645 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.887 0.480 -3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.345 -0.842 0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.336 1.590 -3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.394 0.477 -0.717 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.095 1.673 -2.812 1.00 0.00 H new ATOM 1200 N PHE A 79 2.380 -0.801 2.516 1.00 0.00 N ATOM 1201 CA PHE A 79 1.199 -0.054 2.930 1.00 0.00 C ATOM 1202 C PHE A 79 1.541 0.931 4.044 1.00 0.00 C ATOM 1203 O PHE A 79 1.251 2.124 3.943 1.00 0.00 O ATOM 1204 CB PHE A 79 0.102 -1.011 3.400 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.127 -0.313 3.908 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.965 0.365 3.037 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.444 -0.334 5.257 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.095 1.009 3.503 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.573 0.308 5.728 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.401 0.980 4.850 1.00 0.00 C ATOM 0 H PHE A 79 2.253 -1.813 2.496 1.00 0.00 H new ATOM 0 HA PHE A 79 0.837 0.509 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.177 -1.665 2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.501 -1.648 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.732 0.390 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.801 -0.858 5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.739 1.535 2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.808 0.284 6.782 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.285 1.481 5.215 1.00 0.00 H new ATOM 1220 N TRP A 80 2.158 0.424 5.104 1.00 0.00 N ATOM 1221 CA TRP A 80 2.540 1.258 6.238 1.00 0.00 C ATOM 1222 C TRP A 80 3.405 2.429 5.785 1.00 0.00 C ATOM 1223 O TRP A 80 2.985 3.584 5.844 1.00 0.00 O ATOM 1224 CB TRP A 80 3.289 0.427 7.280 1.00 0.00 C ATOM 1225 CG TRP A 80 2.431 -0.607 7.945 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.663 -1.951 8.001 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.203 -0.379 8.645 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.653 -2.574 8.695 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.745 -1.631 9.101 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.447 0.760 8.933 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.434 -1.773 9.827 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.724 0.617 9.654 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.155 -0.641 10.095 1.00 0.00 C ATOM 0 H TRP A 80 2.405 -0.561 5.203 1.00 0.00 H new ATOM 0 HA TRP A 80 1.630 1.655 6.688 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.135 -0.067 6.801 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.697 1.093 8.040 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.515 -2.451 7.564 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.590 -3.575 8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.771 1.734 8.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.768 -2.742 10.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.317 1.491 9.881 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.074 -0.719 10.657 1.00 0.00 H new ATOM 1244 N GLY A 81 4.618 2.123 5.334 1.00 0.00 N ATOM 1245 CA GLY A 81 5.524 3.161 4.878 1.00 0.00 C ATOM 1246 C GLY A 81 4.811 4.252 4.103 1.00 0.00 C ATOM 1247 O GLY A 81 4.702 5.386 4.571 1.00 0.00 O ATOM 0 H GLY A 81 4.989 1.175 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.030 3.601 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.294 2.716 4.248 1.00 0.00 H new ATOM 1251 N SER A 82 4.327 3.911 2.913 1.00 0.00 N ATOM 1252 CA SER A 82 3.626 4.872 2.069 1.00 0.00 C ATOM 1253 C SER A 82 2.814 5.848 2.915 1.00 0.00 C ATOM 1254 O SER A 82 2.819 7.054 2.668 1.00 0.00 O ATOM 1255 CB SER A 82 2.707 4.144 1.086 1.00 0.00 C ATOM 1256 OG SER A 82 3.454 3.343 0.187 1.00 0.00 O ATOM 0 H SER A 82 4.407 2.977 2.512 1.00 0.00 H new ATOM 0 HA SER A 82 4.371 5.437 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.003 3.519 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.118 4.871 0.527 1.00 0.00 H new ATOM 0 HG SER A 82 3.669 2.487 0.613 1.00 0.00 H new ATOM 1262 N ILE A 83 2.117 5.316 3.914 1.00 0.00 N ATOM 1263 CA ILE A 83 1.300 6.139 4.798 1.00 0.00 C ATOM 1264 C ILE A 83 2.169 7.050 5.659 1.00 0.00 C ATOM 1265 O ILE A 83 1.930 8.254 5.741 1.00 0.00 O ATOM 1266 CB ILE A 83 0.416 5.274 5.715 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.497 4.374 4.879 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.406 6.156 6.643 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.944 3.125 5.606 1.00 0.00 C ATOM 0 H ILE A 83 2.102 4.320 4.131 1.00 0.00 H new ATOM 0 HA ILE A 83 0.660 6.748 4.160 1.00 0.00 H new ATOM 0 HB ILE A 83 1.060 4.640 6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.376 4.943 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.026 4.086 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.026 5.530 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.262 6.758 7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.044 6.812 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.588 2.535 4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.071 2.534 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.495 3.404 6.504 1.00 0.00 H new ATOM 1281 N GLN A 84 3.178 6.466 6.297 1.00 0.00 N ATOM 1282 CA GLN A 84 4.083 7.225 7.151 1.00 0.00 C ATOM 1283 C GLN A 84 4.688 8.402 6.393 1.00 0.00 C ATOM 1284 O GLN A 84 4.734 9.522 6.901 1.00 0.00 O ATOM 1285 CB GLN A 84 5.195 6.320 7.684 1.00 0.00 C ATOM 1286 CG GLN A 84 5.789 6.795 9.000 1.00 0.00 C ATOM 1287 CD GLN A 84 4.880 6.522 10.182 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.711 6.909 10.184 1.00 0.00 O ATOM 1289 NE2 GLN A 84 5.414 5.852 11.197 1.00 0.00 N ATOM 0 H GLN A 84 3.389 5.470 6.239 1.00 0.00 H new ATOM 0 HA GLN A 84 3.508 7.615 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.800 5.313 7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.988 6.256 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.747 6.301 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.988 7.865 8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.387 5.550 11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.851 5.639 12.020 1.00 0.00 H new ATOM 1298 N MET A 85 5.150 8.140 5.175 1.00 0.00 N ATOM 1299 CA MET A 85 5.752 9.179 4.347 1.00 0.00 C ATOM 1300 C MET A 85 4.711 9.814 3.431 1.00 0.00 C ATOM 1301 O MET A 85 5.020 10.724 2.662 1.00 0.00 O ATOM 1302 CB MET A 85 6.895 8.597 3.513 1.00 0.00 C ATOM 1303 CG MET A 85 6.435 7.593 2.468 1.00 0.00 C ATOM 1304 SD MET A 85 7.750 7.131 1.324 1.00 0.00 S ATOM 1305 CE MET A 85 7.462 5.369 1.173 1.00 0.00 C ATOM 0 H MET A 85 5.119 7.218 4.740 1.00 0.00 H new ATOM 0 HA MET A 85 6.149 9.951 5.006 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.422 9.411 3.015 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.610 8.114 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.063 6.699 2.968 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.601 8.015 1.906 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.260 4.919 0.582 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.446 4.917 2.165 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.505 5.198 0.681 1.00 0.00 H new ATOM 1315 N ASP A 86 3.477 9.330 3.519 1.00 0.00 N ATOM 1316 CA ASP A 86 2.390 9.851 2.699 1.00 0.00 C ATOM 1317 C ASP A 86 2.804 9.927 1.232 1.00 0.00 C ATOM 1318 O ASP A 86 2.455 10.873 0.527 1.00 0.00 O ATOM 1319 CB ASP A 86 1.967 11.235 3.194 1.00 0.00 C ATOM 1320 CG ASP A 86 0.985 11.162 4.347 1.00 0.00 C ATOM 1321 OD1 ASP A 86 1.434 10.983 5.498 1.00 0.00 O ATOM 1322 OD2 ASP A 86 -0.233 11.284 4.098 1.00 0.00 O ATOM 0 H ASP A 86 3.205 8.577 4.151 1.00 0.00 H new ATOM 0 HA ASP A 86 1.544 9.169 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.850 11.791 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.516 11.790 2.371 1.00 0.00 H new ATOM 1327 N ALA A 87 3.552 8.925 0.781 1.00 0.00 N ATOM 1328 CA ALA A 87 4.013 8.878 -0.601 1.00 0.00 C ATOM 1329 C ALA A 87 4.103 7.440 -1.100 1.00 0.00 C ATOM 1330 O ALA A 87 4.693 6.581 -0.445 1.00 0.00 O ATOM 1331 CB ALA A 87 5.362 9.569 -0.731 1.00 0.00 C ATOM 0 H ALA A 87 3.851 8.135 1.353 1.00 0.00 H new ATOM 0 HA ALA A 87 3.286 9.405 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.694 9.526 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.269 10.610 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.091 9.066 -0.096 1.00 0.00 H new ATOM 1337 N ARG A 88 3.514 7.186 -2.264 1.00 0.00 N ATOM 1338 CA ARG A 88 3.526 5.851 -2.851 1.00 0.00 C ATOM 1339 C ARG A 88 4.954 5.334 -2.998 1.00 0.00 C ATOM 1340 O ARG A 88 5.768 5.925 -3.707 1.00 0.00 O ATOM 1341 CB ARG A 88 2.834 5.864 -4.215 1.00 0.00 C ATOM 1342 CG ARG A 88 2.593 4.477 -4.789 1.00 0.00 C ATOM 1343 CD ARG A 88 1.391 4.460 -5.720 1.00 0.00 C ATOM 1344 NE ARG A 88 1.460 3.365 -6.683 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.248 3.375 -7.752 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.031 4.417 -7.993 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.254 2.340 -8.583 1.00 0.00 N ATOM 0 H ARG A 88 3.023 7.887 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 88 2.983 5.183 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.879 6.381 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.441 6.437 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.479 4.148 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.435 3.768 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.478 4.368 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.332 5.409 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 88 0.871 2.547 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.029 5.214 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.635 4.422 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.653 1.536 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.859 2.348 -9.404 1.00 0.00 H new ATOM 1361 N ALA A 89 5.251 4.229 -2.322 1.00 0.00 N ATOM 1362 CA ALA A 89 6.580 3.633 -2.378 1.00 0.00 C ATOM 1363 C ALA A 89 6.656 2.564 -3.464 1.00 0.00 C ATOM 1364 O ALA A 89 5.635 2.043 -3.909 1.00 0.00 O ATOM 1365 CB ALA A 89 6.951 3.042 -1.026 1.00 0.00 C ATOM 0 H ALA A 89 4.589 3.728 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 89 7.294 4.418 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.946 2.600 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.945 3.828 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.228 2.273 -0.754 1.00 0.00 H new ATOM 1371 N GLY A 90 7.875 2.243 -3.886 1.00 0.00 N ATOM 1372 CA GLY A 90 8.062 1.238 -4.917 1.00 0.00 C ATOM 1373 C GLY A 90 7.528 -0.120 -4.507 1.00 0.00 C ATOM 1374 O GLY A 90 7.204 -0.339 -3.340 1.00 0.00 O ATOM 0 H GLY A 90 8.736 2.660 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.562 1.561 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.124 1.153 -5.148 1.00 0.00 H new ATOM 1378 N GLU A 91 7.433 -1.032 -5.469 1.00 0.00 N ATOM 1379 CA GLU A 91 6.932 -2.375 -5.201 1.00 0.00 C ATOM 1380 C GLU A 91 8.061 -3.400 -5.260 1.00 0.00 C ATOM 1381 O GLU A 91 8.089 -4.356 -4.484 1.00 0.00 O ATOM 1382 CB GLU A 91 5.839 -2.745 -6.206 1.00 0.00 C ATOM 1383 CG GLU A 91 4.594 -1.882 -6.097 1.00 0.00 C ATOM 1384 CD GLU A 91 4.721 -0.575 -6.856 1.00 0.00 C ATOM 1385 OE1 GLU A 91 4.781 -0.617 -8.103 1.00 0.00 O ATOM 1386 OE2 GLU A 91 4.762 0.489 -6.204 1.00 0.00 O ATOM 0 H GLU A 91 7.696 -0.866 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 91 6.510 -2.384 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.242 -2.661 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.561 -3.789 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.737 -2.437 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.394 -1.670 -5.047 1.00 0.00 H new ATOM 1393 N THR A 92 8.992 -3.193 -6.186 1.00 0.00 N ATOM 1394 CA THR A 92 10.122 -4.099 -6.349 1.00 0.00 C ATOM 1395 C THR A 92 10.949 -4.181 -5.070 1.00 0.00 C ATOM 1396 O THR A 92 11.813 -5.046 -4.934 1.00 0.00 O ATOM 1397 CB THR A 92 11.034 -3.656 -7.508 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.294 -3.638 -8.734 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.227 -4.590 -7.645 1.00 0.00 C ATOM 0 H THR A 92 8.986 -2.406 -6.835 1.00 0.00 H new ATOM 0 HA THR A 92 9.709 -5.082 -6.576 1.00 0.00 H new ATOM 0 HB THR A 92 11.400 -2.653 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.880 -3.354 -9.466 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.857 -4.257 -8.470 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.805 -4.580 -6.721 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.875 -5.603 -7.843 1.00 0.00 H new ATOM 1407 N MET A 93 10.676 -3.276 -4.136 1.00 0.00 N ATOM 1408 CA MET A 93 11.395 -3.249 -2.867 1.00 0.00 C ATOM 1409 C MET A 93 10.599 -3.958 -1.776 1.00 0.00 C ATOM 1410 O MET A 93 11.116 -4.225 -0.691 1.00 0.00 O ATOM 1411 CB MET A 93 11.680 -1.805 -2.449 1.00 0.00 C ATOM 1412 CG MET A 93 10.644 -0.811 -2.950 1.00 0.00 C ATOM 1413 SD MET A 93 10.902 0.849 -2.297 1.00 0.00 S ATOM 1414 CE MET A 93 11.266 1.752 -3.801 1.00 0.00 C ATOM 0 H MET A 93 9.963 -2.553 -4.233 1.00 0.00 H new ATOM 0 HA MET A 93 12.340 -3.774 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 93 11.725 -1.753 -1.361 1.00 0.00 H new ATOM 0 HB3 MET A 93 12.661 -1.514 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 93 10.675 -0.778 -4.039 1.00 0.00 H new ATOM 0 HG3 MET A 93 9.649 -1.157 -2.670 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.287 2.132 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.161 1.088 -4.659 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.572 2.587 -3.901 1.00 0.00 H new ATOM 1424 N TYR A 94 9.339 -4.261 -2.071 1.00 0.00 N ATOM 1425 CA TYR A 94 8.472 -4.937 -1.114 1.00 0.00 C ATOM 1426 C TYR A 94 7.767 -6.125 -1.762 1.00 0.00 C ATOM 1427 O TYR A 94 6.920 -6.772 -1.145 1.00 0.00 O ATOM 1428 CB TYR A 94 7.437 -3.960 -0.554 1.00 0.00 C ATOM 1429 CG TYR A 94 8.047 -2.740 0.100 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.416 -2.757 1.439 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.254 -1.572 -0.623 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.973 -1.644 2.039 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.812 -0.455 -0.031 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.169 -0.496 1.301 1.00 0.00 C ATOM 1435 OH TYR A 94 9.725 0.614 1.895 1.00 0.00 O ATOM 0 H TYR A 94 8.896 -4.049 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 94 9.093 -5.307 -0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.779 -3.638 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.816 -4.480 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.265 -3.655 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.974 -1.536 -1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.254 -1.673 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.968 0.445 -0.608 1.00 0.00 H new ATOM 0 HH TYR A 94 9.795 1.337 1.237 1.00 0.00 H new ATOM 1445 N LEU A 95 8.124 -6.406 -3.010 1.00 0.00 N ATOM 1446 CA LEU A 95 7.528 -7.517 -3.744 1.00 0.00 C ATOM 1447 C LEU A 95 7.575 -8.801 -2.922 1.00 0.00 C ATOM 1448 O LEU A 95 8.638 -9.395 -2.740 1.00 0.00 O ATOM 1449 CB LEU A 95 8.254 -7.723 -5.075 1.00 0.00 C ATOM 1450 CG LEU A 95 7.707 -6.937 -6.267 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.450 -7.312 -7.540 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.213 -7.182 -6.427 1.00 0.00 C ATOM 0 H LEU A 95 8.823 -5.880 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 95 6.484 -7.272 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.302 -7.456 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.225 -8.784 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 95 7.863 -5.875 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.047 -6.743 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.510 -7.085 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.327 -8.378 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.841 -6.615 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.034 -8.245 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.693 -6.862 -5.524 1.00 0.00 H new ATOM 1464 N TYR A 96 6.416 -9.225 -2.430 1.00 0.00 N ATOM 1465 CA TYR A 96 6.325 -10.439 -1.627 1.00 0.00 C ATOM 1466 C TYR A 96 6.764 -11.658 -2.431 1.00 0.00 C ATOM 1467 O TYR A 96 6.044 -12.126 -3.312 1.00 0.00 O ATOM 1468 CB TYR A 96 4.895 -10.635 -1.121 1.00 0.00 C ATOM 1469 CG TYR A 96 4.649 -11.998 -0.514 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.486 -12.500 0.475 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.581 -12.782 -0.929 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.266 -13.745 1.032 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.352 -14.028 -0.376 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.197 -14.504 0.604 1.00 0.00 C ATOM 1475 OH TYR A 96 3.974 -15.745 1.156 1.00 0.00 O ATOM 0 H TYR A 96 5.527 -8.746 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 96 6.993 -10.330 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.674 -9.870 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.202 -10.485 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.323 -11.907 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.918 -12.412 -1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.927 -14.122 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.516 -14.625 -0.710 1.00 0.00 H new ATOM 0 HH TYR A 96 3.877 -16.408 0.441 1.00 0.00 H new