USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1006 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: B 50 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 1.2: B 51 LYS NZ :NH3+ -116:sc= -1.16 (180deg=-4.42!) USER MOD Set 2.1: B 9 LYS NZ :NH3+ -174:sc= -1.65 (180deg=-1.76) USER MOD Set 2.2: B 11 LYS NZ :NH3+ -160:sc= -0.018 (180deg=0) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 45 MET CE :methyl -120:sc= -2 (180deg=-6.95!) USER MOD Set 4.1: A 49 GLN : amide:sc= -0.587 X(o=-5.1,f=-5!) USER MOD Set 4.2: A 50 ASN : amide:sc= -3.02 X(o=-5.1,f=-5) USER MOD Set 4.3: B 49 GLN : amide:sc= -1.51 X(o=-5.1,f=-5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 177:sc= -0.0429 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 23 THR OG1 : rot -76:sc= -0.596 USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= -0.0852 (180deg=-0.685) USER MOD Single : A 28 SER OG : rot 100:sc= -0.847 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 35 MET CE :methyl 180:sc= -0.0649 (180deg=-0.0649) USER MOD Single : A 36 THR OG1 : rot 81:sc= 0.0944 USER MOD Single : A 45 MET CE :methyl -128:sc= -2.04 (180deg=-6.71!) USER MOD Single : A 51 LYS NZ :NH3+ -141:sc= -2.86! (180deg=-4.62!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -46:sc= 1.04 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot -76:sc= 0.234 USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : B 23 THR OG1 : rot -63:sc= -0.229 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -63:sc= 0.345 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.015) USER MOD Single : B 35 MET CE :methyl -138:sc= -1.76 (180deg=-3.03!) USER MOD Single : B 36 THR OG1 : rot 77:sc= 0.108 USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot -130:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 9 1.579 10.220 -14.820 1.00 0.00 N ATOM 136 CA LYS A 9 1.275 8.971 -14.133 1.00 0.00 C ATOM 137 C LYS A 9 1.083 7.844 -15.135 1.00 0.00 C ATOM 138 O LYS A 9 0.453 8.028 -16.177 1.00 0.00 O ATOM 139 CB LYS A 9 0.017 9.133 -13.290 1.00 0.00 C ATOM 140 CG LYS A 9 -1.160 9.580 -14.113 1.00 0.00 C ATOM 141 CD LYS A 9 -1.981 10.648 -13.403 1.00 0.00 C ATOM 142 CE LYS A 9 -3.438 10.236 -13.271 1.00 0.00 C ATOM 143 NZ LYS A 9 -4.331 11.411 -13.073 1.00 0.00 N ATOM 0 HA LYS A 9 2.113 8.721 -13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.219 8.186 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.202 9.859 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.807 9.969 -15.068 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.795 8.722 -14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.563 10.831 -12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.916 11.585 -13.955 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.744 9.694 -14.165 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.547 9.551 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.316 11.088 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.055 11.914 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.247 12.052 -13.887 1.00 0.00 H new ATOM 157 N LYS A 10 1.634 6.676 -14.822 1.00 0.00 N ATOM 158 CA LYS A 10 1.523 5.529 -15.711 1.00 0.00 C ATOM 159 C LYS A 10 0.865 4.358 -14.992 1.00 0.00 C ATOM 160 O LYS A 10 1.207 4.052 -13.856 1.00 0.00 O ATOM 161 CB LYS A 10 2.911 5.125 -16.218 1.00 0.00 C ATOM 162 CG LYS A 10 3.625 6.221 -16.992 1.00 0.00 C ATOM 163 CD LYS A 10 5.062 6.388 -16.516 1.00 0.00 C ATOM 164 CE LYS A 10 5.988 6.764 -17.662 1.00 0.00 C ATOM 165 NZ LYS A 10 7.413 6.810 -17.233 1.00 0.00 N ATOM 0 H LYS A 10 2.158 6.501 -13.965 1.00 0.00 H new ATOM 0 HA LYS A 10 0.900 5.805 -16.562 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.527 4.833 -15.368 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.813 4.247 -16.857 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.617 5.982 -18.056 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.088 7.162 -16.873 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.104 7.158 -15.745 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.405 5.460 -16.059 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.876 6.042 -18.471 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.697 7.736 -18.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.011 7.070 -18.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.526 7.517 -16.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.699 5.875 -16.877 1.00 0.00 H new ATOM 179 N LYS A 11 -0.082 3.697 -15.647 1.00 0.00 N ATOM 180 CA LYS A 11 -0.752 2.566 -15.022 1.00 0.00 C ATOM 181 C LYS A 11 0.255 1.465 -14.738 1.00 0.00 C ATOM 182 O LYS A 11 0.733 0.794 -15.653 1.00 0.00 O ATOM 183 CB LYS A 11 -1.878 2.035 -15.909 1.00 0.00 C ATOM 184 CG LYS A 11 -2.980 3.050 -16.167 1.00 0.00 C ATOM 185 CD LYS A 11 -2.686 3.898 -17.395 1.00 0.00 C ATOM 186 CE LYS A 11 -2.530 5.368 -17.036 1.00 0.00 C ATOM 187 NZ LYS A 11 -2.538 6.239 -18.243 1.00 0.00 N ATOM 0 H LYS A 11 -0.398 3.919 -16.591 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.193 2.903 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.458 1.717 -16.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.312 1.151 -15.441 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.929 2.531 -16.302 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.091 3.696 -15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.774 3.541 -17.875 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.493 3.783 -18.119 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.338 5.666 -16.368 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.597 5.511 -16.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.429 7.232 -17.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.752 5.972 -18.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.439 6.122 -18.750 1.00 0.00 H new ATOM 201 N THR A 12 0.582 1.294 -13.466 1.00 0.00 N ATOM 202 CA THR A 12 1.542 0.287 -13.061 1.00 0.00 C ATOM 203 C THR A 12 0.854 -0.873 -12.353 1.00 0.00 C ATOM 204 O THR A 12 -0.152 -0.680 -11.674 1.00 0.00 O ATOM 205 CB THR A 12 2.607 0.900 -12.149 1.00 0.00 C ATOM 206 OG1 THR A 12 2.919 2.219 -12.558 1.00 0.00 O ATOM 207 CG2 THR A 12 3.898 0.111 -12.122 1.00 0.00 C ATOM 0 H THR A 12 0.194 1.842 -12.698 1.00 0.00 H new ATOM 0 HA THR A 12 2.023 -0.097 -13.960 1.00 0.00 H new ATOM 0 HB THR A 12 2.172 0.889 -11.150 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.562 2.612 -11.932 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.610 0.600 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.700 -0.899 -11.762 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.316 0.062 -13.128 1.00 0.00 H new ATOM 215 N THR A 13 1.394 -2.080 -12.511 1.00 0.00 N ATOM 216 CA THR A 13 0.806 -3.252 -11.874 1.00 0.00 C ATOM 217 C THR A 13 1.744 -3.879 -10.851 1.00 0.00 C ATOM 218 O THR A 13 2.963 -3.894 -11.019 1.00 0.00 O ATOM 219 CB THR A 13 0.418 -4.309 -12.907 1.00 0.00 C ATOM 220 OG1 THR A 13 0.162 -3.718 -14.168 1.00 0.00 O ATOM 221 CG2 THR A 13 -0.807 -5.099 -12.505 1.00 0.00 C ATOM 0 H THR A 13 2.227 -2.269 -13.068 1.00 0.00 H new ATOM 0 HA THR A 13 -0.088 -2.902 -11.358 1.00 0.00 H new ATOM 0 HB THR A 13 1.270 -4.987 -12.966 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.083 -4.415 -14.812 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.035 -5.834 -13.277 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.617 -5.610 -11.561 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.654 -4.423 -12.387 1.00 0.00 H new ATOM 229 N LEU A 14 1.142 -4.417 -9.801 1.00 0.00 N ATOM 230 CA LEU A 14 1.866 -5.087 -8.734 1.00 0.00 C ATOM 231 C LEU A 14 1.082 -6.318 -8.317 1.00 0.00 C ATOM 232 O LEU A 14 -0.129 -6.239 -8.122 1.00 0.00 O ATOM 233 CB LEU A 14 2.051 -4.157 -7.532 1.00 0.00 C ATOM 234 CG LEU A 14 2.253 -2.677 -7.867 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.563 -1.807 -6.832 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.735 -2.339 -7.945 1.00 0.00 C ATOM 0 H LEU A 14 0.131 -4.400 -9.666 1.00 0.00 H new ATOM 0 HA LEU A 14 2.855 -5.372 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.178 -4.249 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.911 -4.502 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 14 1.808 -2.480 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.714 -0.757 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.496 -2.028 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.983 -2.010 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.855 -1.282 -8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.207 -2.550 -6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.205 -2.942 -8.721 1.00 0.00 H new ATOM 248 N ALA A 15 1.747 -7.457 -8.194 1.00 0.00 N ATOM 249 CA ALA A 15 1.039 -8.671 -7.821 1.00 0.00 C ATOM 250 C ALA A 15 0.943 -8.810 -6.304 1.00 0.00 C ATOM 251 O ALA A 15 1.837 -9.348 -5.652 1.00 0.00 O ATOM 252 CB ALA A 15 1.733 -9.878 -8.438 1.00 0.00 C ATOM 0 H ALA A 15 2.750 -7.566 -8.343 1.00 0.00 H new ATOM 0 HA ALA A 15 0.021 -8.615 -8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.201 -10.787 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.736 -9.780 -9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.760 -9.932 -8.076 1.00 0.00 H new ATOM 258 N PHE A 16 -0.173 -8.323 -5.771 1.00 0.00 N ATOM 259 CA PHE A 16 -0.473 -8.367 -4.352 1.00 0.00 C ATOM 260 C PHE A 16 -1.943 -8.118 -4.144 1.00 0.00 C ATOM 261 O PHE A 16 -2.663 -7.780 -5.075 1.00 0.00 O ATOM 262 CB PHE A 16 0.315 -7.326 -3.576 1.00 0.00 C ATOM 263 CG PHE A 16 1.798 -7.395 -3.800 1.00 0.00 C ATOM 264 CD1 PHE A 16 2.395 -6.662 -4.814 1.00 0.00 C ATOM 265 CD2 PHE A 16 2.596 -8.195 -2.998 1.00 0.00 C ATOM 266 CE1 PHE A 16 3.760 -6.724 -5.021 1.00 0.00 C ATOM 267 CE2 PHE A 16 3.961 -8.263 -3.201 1.00 0.00 C ATOM 268 CZ PHE A 16 4.544 -7.526 -4.214 1.00 0.00 C ATOM 0 H PHE A 16 -0.905 -7.880 -6.327 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.192 -9.354 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.039 -6.334 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.112 -7.449 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.787 -6.035 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.145 -8.773 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.213 -6.146 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.571 -8.891 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.611 -7.577 -4.375 1.00 0.00 H new ATOM 278 N ASP A 17 -2.367 -8.239 -2.912 1.00 0.00 N ATOM 279 CA ASP A 17 -3.741 -7.981 -2.541 1.00 0.00 C ATOM 280 C ASP A 17 -4.042 -8.664 -1.252 1.00 0.00 C ATOM 281 O ASP A 17 -4.702 -8.116 -0.377 1.00 0.00 O ATOM 282 CB ASP A 17 -4.732 -8.439 -3.599 1.00 0.00 C ATOM 283 CG ASP A 17 -5.437 -7.269 -4.266 1.00 0.00 C ATOM 284 OD1 ASP A 17 -6.663 -7.130 -4.078 1.00 0.00 O ATOM 285 OD2 ASP A 17 -4.762 -6.495 -4.976 1.00 0.00 O ATOM 0 H ASP A 17 -1.770 -8.520 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.851 -6.901 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.210 -9.026 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.473 -9.095 -3.142 1.00 0.00 H new ATOM 290 N GLU A 18 -3.544 -9.868 -1.122 1.00 0.00 N ATOM 291 CA GLU A 18 -3.781 -10.599 0.097 1.00 0.00 C ATOM 292 C GLU A 18 -3.444 -9.716 1.300 1.00 0.00 C ATOM 293 O GLU A 18 -4.314 -9.387 2.112 1.00 0.00 O ATOM 294 CB GLU A 18 -2.965 -11.888 0.129 1.00 0.00 C ATOM 295 CG GLU A 18 -3.482 -12.916 1.123 1.00 0.00 C ATOM 296 CD GLU A 18 -3.491 -12.401 2.549 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.511 -12.659 3.280 1.00 0.00 O ATOM 298 OE2 GLU A 18 -4.478 -11.740 2.936 1.00 0.00 O ATOM 0 H GLU A 18 -2.986 -10.353 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.835 -10.874 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.961 -12.330 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.931 -11.647 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.493 -13.211 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.862 -13.811 1.069 1.00 0.00 H new ATOM 305 N ASP A 19 -2.183 -9.305 1.386 1.00 0.00 N ATOM 306 CA ASP A 19 -1.737 -8.448 2.478 1.00 0.00 C ATOM 307 C ASP A 19 -1.990 -6.977 2.177 1.00 0.00 C ATOM 308 O ASP A 19 -2.496 -6.246 3.028 1.00 0.00 O ATOM 309 CB ASP A 19 -0.252 -8.675 2.762 1.00 0.00 C ATOM 310 CG ASP A 19 0.056 -10.118 3.110 1.00 0.00 C ATOM 311 OD1 ASP A 19 1.045 -10.660 2.575 1.00 0.00 O ATOM 312 OD2 ASP A 19 -0.692 -10.706 3.919 1.00 0.00 O ATOM 0 H ASP A 19 -1.455 -9.550 0.715 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.317 -8.715 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.331 -8.382 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.060 -8.031 3.584 1.00 0.00 H new ATOM 317 N VAL A 20 -1.636 -6.537 0.975 1.00 0.00 N ATOM 318 CA VAL A 20 -1.840 -5.144 0.608 1.00 0.00 C ATOM 319 C VAL A 20 -3.325 -4.793 0.618 1.00 0.00 C ATOM 320 O VAL A 20 -3.714 -3.773 1.178 1.00 0.00 O ATOM 321 CB VAL A 20 -1.221 -4.799 -0.764 1.00 0.00 C ATOM 322 CG1 VAL A 20 0.222 -5.271 -0.831 1.00 0.00 C ATOM 323 CG2 VAL A 20 -2.026 -5.406 -1.894 1.00 0.00 C ATOM 0 H VAL A 20 -1.213 -7.115 0.249 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.325 -4.544 1.358 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.241 -3.715 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.642 -5.020 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.802 -4.782 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.259 -6.351 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.567 -5.147 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.047 -6.490 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.044 -5.019 -1.864 1.00 0.00 H new ATOM 333 N TYR A 21 -4.159 -5.643 0.019 1.00 0.00 N ATOM 334 CA TYR A 21 -5.595 -5.384 0.003 1.00 0.00 C ATOM 335 C TYR A 21 -6.145 -5.411 1.424 1.00 0.00 C ATOM 336 O TYR A 21 -6.927 -4.538 1.802 1.00 0.00 O ATOM 337 CB TYR A 21 -6.355 -6.385 -0.881 1.00 0.00 C ATOM 338 CG TYR A 21 -7.637 -5.827 -1.457 1.00 0.00 C ATOM 339 CD1 TYR A 21 -8.873 -6.231 -0.969 1.00 0.00 C ATOM 340 CD2 TYR A 21 -7.611 -4.896 -2.488 1.00 0.00 C ATOM 341 CE1 TYR A 21 -10.047 -5.724 -1.492 1.00 0.00 C ATOM 342 CE2 TYR A 21 -8.782 -4.384 -3.016 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.996 -4.801 -2.515 1.00 0.00 C ATOM 344 OH TYR A 21 -11.164 -4.293 -3.038 1.00 0.00 O ATOM 0 H TYR A 21 -3.871 -6.500 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.745 -4.394 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.707 -6.702 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.586 -7.274 -0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.917 -6.953 -0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.661 -4.567 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -11.000 -6.049 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.745 -3.661 -3.817 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.953 -3.654 -3.750 1.00 0.00 H new ATOM 354 N HIS A 22 -5.729 -6.397 2.227 1.00 0.00 N ATOM 355 CA HIS A 22 -6.196 -6.469 3.604 1.00 0.00 C ATOM 356 C HIS A 22 -5.675 -5.277 4.395 1.00 0.00 C ATOM 357 O HIS A 22 -6.432 -4.616 5.104 1.00 0.00 O ATOM 358 CB HIS A 22 -5.754 -7.776 4.264 1.00 0.00 C ATOM 359 CG HIS A 22 -6.743 -8.891 4.112 1.00 0.00 C ATOM 360 ND1 HIS A 22 -7.165 -9.362 2.887 1.00 0.00 N ATOM 361 CD2 HIS A 22 -7.393 -9.630 5.042 1.00 0.00 C ATOM 362 CE1 HIS A 22 -8.034 -10.342 3.069 1.00 0.00 C ATOM 363 NE2 HIS A 22 -8.188 -10.524 4.368 1.00 0.00 N ATOM 0 H HIS A 22 -5.085 -7.138 1.950 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.286 -6.444 3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.801 -8.086 3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.582 -7.597 5.325 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.303 -9.534 6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.532 -10.898 2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.799 -11.217 4.801 1.00 0.00 H new ATOM 372 N THR A 23 -4.383 -4.989 4.257 1.00 0.00 N ATOM 373 CA THR A 23 -3.793 -3.854 4.954 1.00 0.00 C ATOM 374 C THR A 23 -4.438 -2.562 4.476 1.00 0.00 C ATOM 375 O THR A 23 -4.805 -1.707 5.276 1.00 0.00 O ATOM 376 CB THR A 23 -2.286 -3.791 4.734 1.00 0.00 C ATOM 377 OG1 THR A 23 -1.978 -3.789 3.352 1.00 0.00 O ATOM 378 CG2 THR A 23 -1.536 -4.939 5.374 1.00 0.00 C ATOM 0 H THR A 23 -3.733 -5.519 3.676 1.00 0.00 H new ATOM 0 HA THR A 23 -3.975 -3.981 6.021 1.00 0.00 H new ATOM 0 HB THR A 23 -1.966 -2.864 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.081 -4.695 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.469 -4.831 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.710 -4.932 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.888 -5.882 4.956 1.00 0.00 H new ATOM 386 N LEU A 24 -4.607 -2.436 3.163 1.00 0.00 N ATOM 387 CA LEU A 24 -5.247 -1.257 2.593 1.00 0.00 C ATOM 388 C LEU A 24 -6.625 -1.065 3.222 1.00 0.00 C ATOM 389 O LEU A 24 -7.198 0.021 3.164 1.00 0.00 O ATOM 390 CB LEU A 24 -5.373 -1.384 1.071 1.00 0.00 C ATOM 391 CG LEU A 24 -4.300 -0.645 0.263 1.00 0.00 C ATOM 392 CD1 LEU A 24 -4.147 0.786 0.752 1.00 0.00 C ATOM 393 CD2 LEU A 24 -2.969 -1.375 0.340 1.00 0.00 C ATOM 0 H LEU A 24 -4.311 -3.132 2.478 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.627 -0.387 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.340 -2.441 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.352 -1.011 0.771 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.620 -0.621 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.380 1.291 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.095 1.312 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.855 0.782 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.223 -0.833 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.647 -1.435 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.082 -2.381 -0.064 1.00 0.00 H new ATOM 405 N LYS A 25 -7.150 -2.133 3.824 1.00 0.00 N ATOM 406 CA LYS A 25 -8.453 -2.084 4.460 1.00 0.00 C ATOM 407 C LYS A 25 -8.446 -1.189 5.695 1.00 0.00 C ATOM 408 O LYS A 25 -9.324 -0.341 5.849 1.00 0.00 O ATOM 409 CB LYS A 25 -8.920 -3.492 4.839 1.00 0.00 C ATOM 410 CG LYS A 25 -10.407 -3.579 5.145 1.00 0.00 C ATOM 411 CD LYS A 25 -11.250 -3.014 4.010 1.00 0.00 C ATOM 412 CE LYS A 25 -11.905 -1.698 4.402 1.00 0.00 C ATOM 413 NZ LYS A 25 -11.680 -0.637 3.380 1.00 0.00 N ATOM 0 H LYS A 25 -6.687 -3.040 3.881 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.150 -1.657 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.685 -4.175 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.358 -3.830 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.682 -4.619 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.622 -3.034 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.623 -2.862 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.019 -3.735 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.976 -1.852 4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.508 -1.367 5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.444 0.258 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.895 -0.916 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.543 -0.511 2.814 1.00 0.00 H new ATOM 427 N LEU A 26 -7.462 -1.366 6.577 1.00 0.00 N ATOM 428 CA LEU A 26 -7.392 -0.543 7.780 1.00 0.00 C ATOM 429 C LEU A 26 -7.061 0.894 7.409 1.00 0.00 C ATOM 430 O LEU A 26 -7.685 1.832 7.897 1.00 0.00 O ATOM 431 CB LEU A 26 -6.373 -1.094 8.777 1.00 0.00 C ATOM 432 CG LEU A 26 -4.965 -1.239 8.229 1.00 0.00 C ATOM 433 CD1 LEU A 26 -4.196 0.060 8.393 1.00 0.00 C ATOM 434 CD2 LEU A 26 -4.237 -2.389 8.908 1.00 0.00 C ATOM 0 H LEU A 26 -6.718 -2.057 6.483 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.368 -0.567 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.344 -0.438 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.715 -2.069 9.125 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.032 -1.466 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.188 -0.061 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.707 0.856 7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.140 0.319 9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.230 -2.474 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.179 -2.200 9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.780 -3.318 8.732 1.00 0.00 H new ATOM 446 N VAL A 27 -6.094 1.050 6.516 1.00 0.00 N ATOM 447 CA VAL A 27 -5.688 2.372 6.040 1.00 0.00 C ATOM 448 C VAL A 27 -6.822 3.037 5.284 1.00 0.00 C ATOM 449 O VAL A 27 -7.103 4.216 5.481 1.00 0.00 O ATOM 450 CB VAL A 27 -4.454 2.303 5.122 1.00 0.00 C ATOM 451 CG1 VAL A 27 -3.189 2.662 5.872 1.00 0.00 C ATOM 452 CG2 VAL A 27 -4.326 0.950 4.512 1.00 0.00 C ATOM 0 H VAL A 27 -5.572 0.277 6.103 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.431 2.957 6.923 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.594 3.034 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.336 2.604 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.273 3.676 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.046 1.965 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.448 0.923 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.221 0.204 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.216 0.731 3.922 1.00 0.00 H new ATOM 462 N SER A 28 -7.476 2.286 4.412 1.00 0.00 N ATOM 463 CA SER A 28 -8.571 2.845 3.640 1.00 0.00 C ATOM 464 C SER A 28 -9.711 3.288 4.547 1.00 0.00 C ATOM 465 O SER A 28 -10.364 4.299 4.283 1.00 0.00 O ATOM 466 CB SER A 28 -9.080 1.845 2.601 1.00 0.00 C ATOM 467 OG SER A 28 -8.141 1.670 1.556 1.00 0.00 O ATOM 0 H SER A 28 -7.272 1.305 4.224 1.00 0.00 H new ATOM 0 HA SER A 28 -8.188 3.720 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.277 0.886 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.026 2.195 2.188 1.00 0.00 H new ATOM 0 HG SER A 28 -7.633 0.846 1.707 1.00 0.00 H new ATOM 473 N VAL A 29 -9.938 2.537 5.620 1.00 0.00 N ATOM 474 CA VAL A 29 -10.989 2.861 6.567 1.00 0.00 C ATOM 475 C VAL A 29 -10.527 3.973 7.499 1.00 0.00 C ATOM 476 O VAL A 29 -11.237 4.954 7.725 1.00 0.00 O ATOM 477 CB VAL A 29 -11.392 1.606 7.379 1.00 0.00 C ATOM 478 CG1 VAL A 29 -11.074 1.752 8.859 1.00 0.00 C ATOM 479 CG2 VAL A 29 -12.865 1.283 7.173 1.00 0.00 C ATOM 0 H VAL A 29 -9.405 1.699 5.852 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.863 3.207 6.015 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.795 0.775 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.375 0.847 9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.003 1.908 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.616 2.606 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.128 0.398 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.472 2.126 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.052 1.093 6.116 1.00 0.00 H new ATOM 489 N TYR A 30 -9.327 3.802 8.036 1.00 0.00 N ATOM 490 CA TYR A 30 -8.751 4.780 8.949 1.00 0.00 C ATOM 491 C TYR A 30 -8.388 6.069 8.221 1.00 0.00 C ATOM 492 O TYR A 30 -8.355 7.138 8.830 1.00 0.00 O ATOM 493 CB TYR A 30 -7.507 4.212 9.638 1.00 0.00 C ATOM 494 CG TYR A 30 -7.803 3.496 10.936 1.00 0.00 C ATOM 495 CD1 TYR A 30 -7.746 2.110 11.017 1.00 0.00 C ATOM 496 CD2 TYR A 30 -8.139 4.207 12.081 1.00 0.00 C ATOM 497 CE1 TYR A 30 -8.015 1.454 12.203 1.00 0.00 C ATOM 498 CE2 TYR A 30 -8.409 3.557 13.271 1.00 0.00 C ATOM 499 CZ TYR A 30 -8.346 2.181 13.326 1.00 0.00 C ATOM 500 OH TYR A 30 -8.615 1.532 14.508 1.00 0.00 O ATOM 0 H TYR A 30 -8.732 2.993 7.855 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.505 5.006 9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.010 3.521 8.958 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.808 5.025 9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.487 1.536 10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.190 5.285 12.041 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.966 0.376 12.250 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.668 4.124 14.153 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.830 2.191 15.201 1.00 0.00 H new ATOM 510 N LEU A 31 -8.114 5.976 6.919 1.00 0.00 N ATOM 511 CA LEU A 31 -7.756 7.158 6.148 1.00 0.00 C ATOM 512 C LEU A 31 -8.877 7.536 5.183 1.00 0.00 C ATOM 513 O LEU A 31 -8.801 8.562 4.508 1.00 0.00 O ATOM 514 CB LEU A 31 -6.450 6.941 5.361 1.00 0.00 C ATOM 515 CG LEU A 31 -5.312 6.175 6.072 1.00 0.00 C ATOM 516 CD1 LEU A 31 -3.964 6.768 5.693 1.00 0.00 C ATOM 517 CD2 LEU A 31 -5.478 6.183 7.588 1.00 0.00 C ATOM 0 H LEU A 31 -8.133 5.106 6.386 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.603 7.972 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.694 6.406 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.067 7.918 5.068 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.360 5.138 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.170 6.220 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.824 6.694 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.930 7.816 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.656 5.633 8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.473 7.211 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.424 5.710 7.853 1.00 0.00 H new ATOM 529 N ASN A 32 -9.914 6.700 5.109 1.00 0.00 N ATOM 530 CA ASN A 32 -11.030 6.959 4.207 1.00 0.00 C ATOM 531 C ASN A 32 -10.505 7.196 2.798 1.00 0.00 C ATOM 532 O ASN A 32 -11.036 8.014 2.048 1.00 0.00 O ATOM 533 CB ASN A 32 -11.830 8.173 4.683 1.00 0.00 C ATOM 534 CG ASN A 32 -13.300 8.074 4.326 1.00 0.00 C ATOM 535 OD1 ASN A 32 -13.656 7.791 3.182 1.00 0.00 O ATOM 536 ND2 ASN A 32 -14.165 8.306 5.307 1.00 0.00 N ATOM 0 H ASN A 32 -10.002 5.846 5.659 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.690 6.092 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.727 8.271 5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.412 9.077 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.167 8.253 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.827 8.537 6.241 1.00 0.00 H new ATOM 543 N ARG A 33 -9.436 6.481 2.459 1.00 0.00 N ATOM 544 CA ARG A 33 -8.805 6.615 1.151 1.00 0.00 C ATOM 545 C ARG A 33 -8.901 5.327 0.346 1.00 0.00 C ATOM 546 O ARG A 33 -9.238 4.270 0.878 1.00 0.00 O ATOM 547 CB ARG A 33 -7.331 7.000 1.320 1.00 0.00 C ATOM 548 CG ARG A 33 -7.131 8.416 1.831 1.00 0.00 C ATOM 549 CD ARG A 33 -5.707 8.899 1.609 1.00 0.00 C ATOM 550 NE ARG A 33 -5.624 10.358 1.603 1.00 0.00 N ATOM 551 CZ ARG A 33 -5.823 11.115 2.680 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.085 10.555 3.854 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.756 12.435 2.582 1.00 0.00 N ATOM 0 H ARG A 33 -8.988 5.802 3.074 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.335 7.397 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.858 6.302 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.823 6.893 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.826 9.087 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.367 8.456 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.062 8.501 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.335 8.510 0.661 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.401 10.823 0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.135 9.539 3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.237 11.140 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.552 12.870 1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.908 13.016 3.406 1.00 0.00 H new ATOM 567 N ASP A 34 -8.572 5.422 -0.937 1.00 0.00 N ATOM 568 CA ASP A 34 -8.587 4.262 -1.815 1.00 0.00 C ATOM 569 C ASP A 34 -7.247 3.549 -1.729 1.00 0.00 C ATOM 570 O ASP A 34 -6.236 4.163 -1.387 1.00 0.00 O ATOM 571 CB ASP A 34 -8.874 4.682 -3.259 1.00 0.00 C ATOM 572 CG ASP A 34 -10.352 4.893 -3.518 1.00 0.00 C ATOM 573 OD1 ASP A 34 -10.823 4.519 -4.611 1.00 0.00 O ATOM 574 OD2 ASP A 34 -11.039 5.433 -2.625 1.00 0.00 O ATOM 0 H ASP A 34 -8.292 6.291 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.379 3.584 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.334 5.603 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.494 3.919 -3.938 1.00 0.00 H new ATOM 579 N MET A 35 -7.233 2.258 -2.032 1.00 0.00 N ATOM 580 CA MET A 35 -6.009 1.487 -1.970 1.00 0.00 C ATOM 581 C MET A 35 -4.908 2.151 -2.797 1.00 0.00 C ATOM 582 O MET A 35 -3.736 2.108 -2.430 1.00 0.00 O ATOM 583 CB MET A 35 -6.279 0.055 -2.448 1.00 0.00 C ATOM 584 CG MET A 35 -5.207 -0.494 -3.362 1.00 0.00 C ATOM 585 SD MET A 35 -5.431 -2.245 -3.735 1.00 0.00 S ATOM 586 CE MET A 35 -6.522 -2.153 -5.153 1.00 0.00 C ATOM 0 H MET A 35 -8.055 1.728 -2.322 1.00 0.00 H new ATOM 0 HA MET A 35 -5.662 1.449 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.372 -0.597 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.236 0.030 -2.969 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.205 0.073 -4.293 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.232 -0.348 -2.898 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.753 -3.160 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.445 -1.646 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.033 -1.596 -5.953 1.00 0.00 H new ATOM 596 N THR A 36 -5.296 2.773 -3.908 1.00 0.00 N ATOM 597 CA THR A 36 -4.334 3.452 -4.770 1.00 0.00 C ATOM 598 C THR A 36 -3.902 4.770 -4.138 1.00 0.00 C ATOM 599 O THR A 36 -2.734 5.147 -4.205 1.00 0.00 O ATOM 600 CB THR A 36 -4.930 3.697 -6.164 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.205 3.093 -6.281 1.00 0.00 O ATOM 602 CG2 THR A 36 -4.070 3.173 -7.296 1.00 0.00 C ATOM 0 H THR A 36 -6.263 2.821 -4.230 1.00 0.00 H new ATOM 0 HA THR A 36 -3.459 2.812 -4.882 1.00 0.00 H new ATOM 0 HB THR A 36 -4.994 4.781 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.880 3.671 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.556 3.383 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.096 3.662 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.938 2.097 -7.185 1.00 0.00 H new ATOM 610 N GLU A 37 -4.846 5.461 -3.510 1.00 0.00 N ATOM 611 CA GLU A 37 -4.550 6.729 -2.855 1.00 0.00 C ATOM 612 C GLU A 37 -3.665 6.496 -1.635 1.00 0.00 C ATOM 613 O GLU A 37 -2.786 7.299 -1.329 1.00 0.00 O ATOM 614 CB GLU A 37 -5.846 7.432 -2.440 1.00 0.00 C ATOM 615 CG GLU A 37 -6.218 8.598 -3.341 1.00 0.00 C ATOM 616 CD GLU A 37 -7.512 9.270 -2.921 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.562 10.517 -2.929 1.00 0.00 O ATOM 618 OE2 GLU A 37 -8.474 8.547 -2.584 1.00 0.00 O ATOM 0 H GLU A 37 -5.820 5.166 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.018 7.368 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.660 6.707 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.743 7.792 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.412 9.332 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.313 8.243 -4.367 1.00 0.00 H new ATOM 625 N ILE A 38 -3.905 5.384 -0.950 1.00 0.00 N ATOM 626 CA ILE A 38 -3.135 5.023 0.236 1.00 0.00 C ATOM 627 C ILE A 38 -1.747 4.517 -0.148 1.00 0.00 C ATOM 628 O ILE A 38 -0.737 5.002 0.362 1.00 0.00 O ATOM 629 CB ILE A 38 -3.850 3.916 1.036 1.00 0.00 C ATOM 630 CG1 ILE A 38 -5.037 4.464 1.832 1.00 0.00 C ATOM 631 CG2 ILE A 38 -2.894 3.210 1.978 1.00 0.00 C ATOM 632 CD1 ILE A 38 -6.327 3.731 1.555 1.00 0.00 C ATOM 0 H ILE A 38 -4.632 4.712 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.043 5.921 0.847 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.224 3.199 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.812 4.401 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.168 5.520 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.430 2.436 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.087 2.755 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.477 3.931 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.129 4.168 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.573 3.815 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.212 2.679 1.818 1.00 0.00 H new ATOM 644 N ILE A 39 -1.704 3.526 -1.040 1.00 0.00 N ATOM 645 CA ILE A 39 -0.439 2.946 -1.471 1.00 0.00 C ATOM 646 C ILE A 39 0.463 4.001 -2.085 1.00 0.00 C ATOM 647 O ILE A 39 1.673 4.012 -1.851 1.00 0.00 O ATOM 648 CB ILE A 39 -0.652 1.821 -2.498 1.00 0.00 C ATOM 649 CG1 ILE A 39 -1.371 2.372 -3.728 1.00 0.00 C ATOM 650 CG2 ILE A 39 -1.442 0.676 -1.880 1.00 0.00 C ATOM 651 CD1 ILE A 39 -0.436 2.789 -4.843 1.00 0.00 C ATOM 0 H ILE A 39 -2.529 3.112 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 39 0.034 2.531 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 39 0.319 1.433 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.058 1.615 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.974 3.230 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.583 -0.111 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.895 0.276 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.414 1.041 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.018 3.170 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.235 3.569 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.149 1.929 -5.168 1.00 0.00 H new ATOM 663 N GLU A 40 -0.127 4.886 -2.878 1.00 0.00 N ATOM 664 CA GLU A 40 0.635 5.935 -3.522 1.00 0.00 C ATOM 665 C GLU A 40 0.936 7.056 -2.539 1.00 0.00 C ATOM 666 O GLU A 40 1.898 7.803 -2.720 1.00 0.00 O ATOM 667 CB GLU A 40 -0.106 6.480 -4.745 1.00 0.00 C ATOM 668 CG GLU A 40 0.782 6.635 -5.968 1.00 0.00 C ATOM 669 CD GLU A 40 1.304 5.306 -6.480 1.00 0.00 C ATOM 670 OE1 GLU A 40 2.187 4.720 -5.820 1.00 0.00 O ATOM 671 OE2 GLU A 40 0.829 4.851 -7.541 1.00 0.00 O ATOM 0 H GLU A 40 -1.125 4.895 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 40 1.578 5.507 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.933 5.812 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.541 7.448 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.221 7.130 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.624 7.282 -5.722 1.00 0.00 H new ATOM 678 N GLU A 41 0.133 7.158 -1.483 1.00 0.00 N ATOM 679 CA GLU A 41 0.370 8.182 -0.475 1.00 0.00 C ATOM 680 C GLU A 41 1.400 7.683 0.528 1.00 0.00 C ATOM 681 O GLU A 41 2.192 8.458 1.069 1.00 0.00 O ATOM 682 CB GLU A 41 -0.932 8.556 0.237 1.00 0.00 C ATOM 683 CG GLU A 41 -0.754 9.592 1.335 1.00 0.00 C ATOM 684 CD GLU A 41 -1.772 9.443 2.448 1.00 0.00 C ATOM 685 OE1 GLU A 41 -2.083 10.456 3.109 1.00 0.00 O ATOM 686 OE2 GLU A 41 -2.259 8.312 2.659 1.00 0.00 O ATOM 0 H GLU A 41 -0.671 6.556 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 41 0.753 9.076 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.641 8.937 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.372 7.656 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.250 9.506 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.835 10.590 0.904 1.00 0.00 H new ATOM 693 N ALA A 42 1.393 6.372 0.758 1.00 0.00 N ATOM 694 CA ALA A 42 2.331 5.755 1.685 1.00 0.00 C ATOM 695 C ALA A 42 3.721 5.672 1.067 1.00 0.00 C ATOM 696 O ALA A 42 4.723 5.956 1.725 1.00 0.00 O ATOM 697 CB ALA A 42 1.845 4.370 2.085 1.00 0.00 C ATOM 0 H ALA A 42 0.747 5.719 0.314 1.00 0.00 H new ATOM 0 HA ALA A 42 2.390 6.376 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.556 3.921 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.871 4.451 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.759 3.744 1.197 1.00 0.00 H new ATOM 703 N VAL A 43 3.774 5.280 -0.203 1.00 0.00 N ATOM 704 CA VAL A 43 5.041 5.159 -0.917 1.00 0.00 C ATOM 705 C VAL A 43 5.857 6.431 -0.815 1.00 0.00 C ATOM 706 O VAL A 43 6.960 6.441 -0.270 1.00 0.00 O ATOM 707 CB VAL A 43 4.824 4.848 -2.418 1.00 0.00 C ATOM 708 CG1 VAL A 43 3.767 5.742 -3.027 1.00 0.00 C ATOM 709 CG2 VAL A 43 6.118 5.001 -3.196 1.00 0.00 C ATOM 0 H VAL A 43 2.953 5.041 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 43 5.577 4.335 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 43 4.484 3.814 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.643 5.493 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.821 5.594 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.074 6.784 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.939 4.777 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.482 6.024 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.864 4.312 -2.800 1.00 0.00 H new ATOM 719 N VAL A 44 5.301 7.495 -1.357 1.00 0.00 N ATOM 720 CA VAL A 44 5.956 8.786 -1.354 1.00 0.00 C ATOM 721 C VAL A 44 6.330 9.186 0.060 1.00 0.00 C ATOM 722 O VAL A 44 7.484 9.495 0.343 1.00 0.00 O ATOM 723 CB VAL A 44 5.050 9.855 -1.998 1.00 0.00 C ATOM 724 CG1 VAL A 44 5.136 11.197 -1.268 1.00 0.00 C ATOM 725 CG2 VAL A 44 5.385 10.023 -3.471 1.00 0.00 C ATOM 0 H VAL A 44 4.387 7.489 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 44 6.869 8.711 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 44 4.022 9.505 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.482 11.919 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.825 11.068 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.163 11.561 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.735 10.781 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.425 10.333 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.235 9.075 -3.989 1.00 0.00 H new ATOM 735 N MET A 45 5.350 9.169 0.947 1.00 0.00 N ATOM 736 CA MET A 45 5.596 9.526 2.331 1.00 0.00 C ATOM 737 C MET A 45 6.701 8.660 2.914 1.00 0.00 C ATOM 738 O MET A 45 7.448 9.103 3.787 1.00 0.00 O ATOM 739 CB MET A 45 4.320 9.394 3.162 1.00 0.00 C ATOM 740 CG MET A 45 4.444 9.974 4.561 1.00 0.00 C ATOM 741 SD MET A 45 5.030 11.682 4.561 1.00 0.00 S ATOM 742 CE MET A 45 5.309 11.945 6.309 1.00 0.00 C ATOM 0 H MET A 45 4.385 8.914 0.735 1.00 0.00 H new ATOM 0 HA MET A 45 5.916 10.567 2.362 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.504 9.894 2.641 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.052 8.340 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.474 9.928 5.056 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.129 9.360 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.794 12.851 6.627 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.926 11.093 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.378 12.051 6.495 1.00 0.00 H new ATOM 752 N TRP A 46 6.822 7.431 2.416 1.00 0.00 N ATOM 753 CA TRP A 46 7.867 6.543 2.893 1.00 0.00 C ATOM 754 C TRP A 46 9.218 7.055 2.427 1.00 0.00 C ATOM 755 O TRP A 46 10.080 7.379 3.240 1.00 0.00 O ATOM 756 CB TRP A 46 7.641 5.112 2.404 1.00 0.00 C ATOM 757 CG TRP A 46 8.291 4.086 3.277 1.00 0.00 C ATOM 758 CD1 TRP A 46 7.684 3.308 4.220 1.00 0.00 C ATOM 759 CD2 TRP A 46 9.678 3.729 3.295 1.00 0.00 C ATOM 760 NE1 TRP A 46 8.608 2.490 4.824 1.00 0.00 N ATOM 761 CE2 TRP A 46 9.840 2.730 4.273 1.00 0.00 C ATOM 762 CE3 TRP A 46 10.800 4.158 2.579 1.00 0.00 C ATOM 763 CZ2 TRP A 46 11.077 2.154 4.552 1.00 0.00 C ATOM 764 CZ3 TRP A 46 12.026 3.585 2.857 1.00 0.00 C ATOM 765 CH2 TRP A 46 12.156 2.592 3.836 1.00 0.00 C ATOM 0 H TRP A 46 6.218 7.037 1.695 1.00 0.00 H new ATOM 0 HA TRP A 46 7.841 6.528 3.983 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.570 4.915 2.357 1.00 0.00 H new ATOM 0 HB3 TRP A 46 8.028 5.015 1.390 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.631 3.332 4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.410 1.814 5.562 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.710 4.923 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.180 1.389 5.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 12.899 3.908 2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 46 13.128 2.164 4.029 1.00 0.00 H new ATOM 776 N LEU A 47 9.389 7.156 1.114 1.00 0.00 N ATOM 777 CA LEU A 47 10.636 7.664 0.554 1.00 0.00 C ATOM 778 C LEU A 47 10.946 9.028 1.129 1.00 0.00 C ATOM 779 O LEU A 47 12.074 9.320 1.519 1.00 0.00 O ATOM 780 CB LEU A 47 10.558 7.805 -0.965 1.00 0.00 C ATOM 781 CG LEU A 47 9.191 8.186 -1.534 1.00 0.00 C ATOM 782 CD1 LEU A 47 9.142 9.681 -1.806 1.00 0.00 C ATOM 783 CD2 LEU A 47 8.898 7.396 -2.803 1.00 0.00 C ATOM 0 H LEU A 47 8.686 6.895 0.422 1.00 0.00 H new ATOM 0 HA LEU A 47 11.415 6.946 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.282 8.557 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.866 6.861 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 47 8.423 7.939 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.165 9.945 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.309 10.226 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.917 9.946 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.921 7.682 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.663 7.610 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.901 6.330 -2.577 1.00 0.00 H new ATOM 795 N ILE A 48 9.929 9.870 1.158 1.00 0.00 N ATOM 796 CA ILE A 48 10.073 11.212 1.655 1.00 0.00 C ATOM 797 C ILE A 48 10.626 11.221 3.071 1.00 0.00 C ATOM 798 O ILE A 48 11.516 12.008 3.393 1.00 0.00 O ATOM 799 CB ILE A 48 8.719 11.945 1.590 1.00 0.00 C ATOM 800 CG1 ILE A 48 8.799 13.059 0.562 1.00 0.00 C ATOM 801 CG2 ILE A 48 8.305 12.486 2.947 1.00 0.00 C ATOM 802 CD1 ILE A 48 8.819 12.569 -0.869 1.00 0.00 C ATOM 0 H ILE A 48 8.989 9.638 0.838 1.00 0.00 H new ATOM 0 HA ILE A 48 10.789 11.737 1.022 1.00 0.00 H new ATOM 0 HB ILE A 48 7.953 11.230 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.947 13.726 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.697 13.648 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.346 12.996 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.214 11.662 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.058 13.189 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.877 13.422 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.686 11.926 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.909 12.005 -1.073 1.00 0.00 H new ATOM 814 N GLN A 49 10.091 10.354 3.916 1.00 0.00 N ATOM 815 CA GLN A 49 10.541 10.291 5.293 1.00 0.00 C ATOM 816 C GLN A 49 11.792 9.423 5.444 1.00 0.00 C ATOM 817 O GLN A 49 12.561 9.598 6.388 1.00 0.00 O ATOM 818 CB GLN A 49 9.421 9.770 6.200 1.00 0.00 C ATOM 819 CG GLN A 49 9.162 8.274 6.071 1.00 0.00 C ATOM 820 CD GLN A 49 9.204 7.555 7.406 1.00 0.00 C ATOM 821 OE1 GLN A 49 9.225 8.186 8.464 1.00 0.00 O ATOM 822 NE2 GLN A 49 9.215 6.228 7.364 1.00 0.00 N ATOM 0 H GLN A 49 9.353 9.692 3.675 1.00 0.00 H new ATOM 0 HA GLN A 49 10.803 11.304 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.672 9.996 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.502 10.308 5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.187 8.117 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.905 7.837 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.197 5.746 6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.242 5.691 8.230 1.00 0.00 H new ATOM 831 N ASN A 50 11.980 8.469 4.531 1.00 0.00 N ATOM 832 CA ASN A 50 13.132 7.567 4.608 1.00 0.00 C ATOM 833 C ASN A 50 14.284 8.001 3.705 1.00 0.00 C ATOM 834 O ASN A 50 15.386 8.263 4.180 1.00 0.00 O ATOM 835 CB ASN A 50 12.712 6.135 4.262 1.00 0.00 C ATOM 836 CG ASN A 50 12.606 5.253 5.491 1.00 0.00 C ATOM 837 OD1 ASN A 50 11.669 5.376 6.279 1.00 0.00 O ATOM 838 ND2 ASN A 50 13.572 4.357 5.661 1.00 0.00 N ATOM 0 H ASN A 50 11.359 8.301 3.739 1.00 0.00 H new ATOM 0 HA ASN A 50 13.493 7.608 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.751 6.155 3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.435 5.704 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.555 3.736 6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.330 4.290 4.982 1.00 0.00 H new ATOM 845 N LYS A 51 14.030 8.046 2.405 1.00 0.00 N ATOM 846 CA LYS A 51 15.055 8.418 1.428 1.00 0.00 C ATOM 847 C LYS A 51 15.711 9.755 1.764 1.00 0.00 C ATOM 848 O LYS A 51 16.925 9.829 1.956 1.00 0.00 O ATOM 849 CB LYS A 51 14.459 8.476 0.020 1.00 0.00 C ATOM 850 CG LYS A 51 13.997 7.124 -0.503 1.00 0.00 C ATOM 851 CD LYS A 51 14.893 6.620 -1.625 1.00 0.00 C ATOM 852 CE LYS A 51 15.844 5.540 -1.136 1.00 0.00 C ATOM 853 NZ LYS A 51 16.947 6.101 -0.307 1.00 0.00 N ATOM 0 H LYS A 51 13.121 7.829 1.997 1.00 0.00 H new ATOM 0 HA LYS A 51 15.825 7.648 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.614 9.164 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.203 8.886 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.992 6.400 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.972 7.204 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.278 6.226 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.466 7.451 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.289 4.806 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.266 5.014 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.834 5.605 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.056 7.114 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.722 5.976 0.701 1.00 0.00 H new ATOM 867 N GLU A 52 14.906 10.812 1.818 1.00 0.00 N ATOM 868 CA GLU A 52 15.414 12.152 2.113 1.00 0.00 C ATOM 869 C GLU A 52 16.384 12.139 3.293 1.00 0.00 C ATOM 870 O GLU A 52 17.314 12.942 3.351 1.00 0.00 O ATOM 871 CB GLU A 52 14.252 13.103 2.405 1.00 0.00 C ATOM 872 CG GLU A 52 13.363 13.366 1.199 1.00 0.00 C ATOM 873 CD GLU A 52 12.774 14.762 1.205 1.00 0.00 C ATOM 874 OE1 GLU A 52 13.354 15.649 1.866 1.00 0.00 O ATOM 875 OE2 GLU A 52 11.733 14.971 0.547 1.00 0.00 O ATOM 0 H GLU A 52 13.899 10.769 1.662 1.00 0.00 H new ATOM 0 HA GLU A 52 15.958 12.501 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.645 12.686 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.651 14.051 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.942 13.224 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.555 12.634 1.181 1.00 0.00 H new ATOM 882 N LYS A 53 16.157 11.227 4.231 1.00 0.00 N ATOM 883 CA LYS A 53 17.009 11.114 5.411 1.00 0.00 C ATOM 884 C LYS A 53 17.547 9.694 5.571 1.00 0.00 C ATOM 885 O LYS A 53 17.797 9.245 6.687 1.00 0.00 O ATOM 886 CB LYS A 53 16.238 11.527 6.666 1.00 0.00 C ATOM 887 CG LYS A 53 14.998 10.688 6.921 1.00 0.00 C ATOM 888 CD LYS A 53 14.737 10.519 8.409 1.00 0.00 C ATOM 889 CE LYS A 53 15.448 9.296 8.965 1.00 0.00 C ATOM 890 NZ LYS A 53 14.521 8.143 9.133 1.00 0.00 N ATOM 0 H LYS A 53 15.391 10.555 4.198 1.00 0.00 H new ATOM 0 HA LYS A 53 17.857 11.786 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 53 16.900 11.454 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.946 12.573 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.135 11.159 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.118 9.709 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.072 11.409 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.665 10.428 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.261 9.014 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.898 9.543 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.045 7.329 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.759 8.403 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.111 7.890 8.211 1.00 0.00 H new ATOM 904 N LEU A 54 17.713 8.992 4.451 1.00 0.00 N ATOM 905 CA LEU A 54 18.207 7.615 4.469 1.00 0.00 C ATOM 906 C LEU A 54 19.527 7.516 5.231 1.00 0.00 C ATOM 907 O LEU A 54 20.586 7.852 4.700 1.00 0.00 O ATOM 908 CB LEU A 54 18.398 7.109 3.038 1.00 0.00 C ATOM 909 CG LEU A 54 18.853 5.653 2.921 1.00 0.00 C ATOM 910 CD1 LEU A 54 17.660 4.713 2.996 1.00 0.00 C ATOM 911 CD2 LEU A 54 19.623 5.438 1.626 1.00 0.00 C ATOM 0 H LEU A 54 17.513 9.354 3.519 1.00 0.00 H new ATOM 0 HA LEU A 54 17.468 6.996 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 54 17.457 7.224 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 54 19.130 7.744 2.539 1.00 0.00 H new ATOM 0 HG LEU A 54 19.517 5.431 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 54 18.003 3.682 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 54 17.150 4.848 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.971 4.934 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 54 19.939 4.397 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 54 18.982 5.678 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 54 20.500 6.085 1.612 1.00 0.00 H new ATOM 923 N PRO A 55 19.483 7.053 6.497 1.00 0.00 N ATOM 924 CA PRO A 55 20.673 6.912 7.335 1.00 0.00 C ATOM 925 C PRO A 55 21.465 5.651 7.009 1.00 0.00 C ATOM 926 O PRO A 55 20.937 4.707 6.421 1.00 0.00 O ATOM 927 CB PRO A 55 20.107 6.833 8.766 1.00 0.00 C ATOM 928 CG PRO A 55 18.621 6.978 8.638 1.00 0.00 C ATOM 929 CD PRO A 55 18.281 6.628 7.218 1.00 0.00 C ATOM 0 HA PRO A 55 21.370 7.736 7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.366 5.884 9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.522 7.622 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.105 6.318 9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.309 7.996 8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.089 5.562 7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.391 7.154 6.871 1.00 0.00 H new ATOM 937 N ASN A 56 22.733 5.637 7.406 1.00 0.00 N ATOM 938 CA ASN A 56 23.596 4.488 7.166 1.00 0.00 C ATOM 939 C ASN A 56 23.257 3.350 8.125 1.00 0.00 C ATOM 940 O ASN A 56 23.447 2.177 7.805 1.00 0.00 O ATOM 941 CB ASN A 56 25.065 4.884 7.324 1.00 0.00 C ATOM 942 CG ASN A 56 25.600 5.617 6.110 1.00 0.00 C ATOM 943 OD1 ASN A 56 24.835 6.131 5.294 1.00 0.00 O ATOM 944 ND2 ASN A 56 26.922 5.668 5.985 1.00 0.00 N ATOM 0 H ASN A 56 23.185 6.409 7.896 1.00 0.00 H new ATOM 0 HA ASN A 56 23.430 4.144 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 56 25.175 5.517 8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 56 25.663 3.989 7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 56 27.341 6.148 5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 56 27.518 5.228 6.686 1.00 0.00 H new ATOM 951 N GLU A 57 22.752 3.707 9.302 1.00 0.00 N ATOM 952 CA GLU A 57 22.385 2.720 10.311 1.00 0.00 C ATOM 953 C GLU A 57 21.049 2.058 9.977 1.00 0.00 C ATOM 954 O GLU A 57 20.748 0.970 10.469 1.00 0.00 O ATOM 955 CB GLU A 57 22.309 3.376 11.691 1.00 0.00 C ATOM 956 CG GLU A 57 21.246 4.457 11.794 1.00 0.00 C ATOM 957 CD GLU A 57 21.578 5.505 12.837 1.00 0.00 C ATOM 958 OE1 GLU A 57 22.766 5.619 13.207 1.00 0.00 O ATOM 959 OE2 GLU A 57 20.652 6.213 13.284 1.00 0.00 O ATOM 0 H GLU A 57 22.588 4.674 9.580 1.00 0.00 H new ATOM 0 HA GLU A 57 23.156 1.949 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.108 2.608 12.438 1.00 0.00 H new ATOM 0 HB3 GLU A 57 23.280 3.809 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.129 4.940 10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.288 3.997 12.039 1.00 0.00 H new ATOM 966 N LEU A 58 20.251 2.720 9.143 1.00 0.00 N ATOM 967 CA LEU A 58 18.950 2.190 8.751 1.00 0.00 C ATOM 968 C LEU A 58 19.079 1.248 7.558 1.00 0.00 C ATOM 969 O LEU A 58 18.250 0.358 7.371 1.00 0.00 O ATOM 970 CB LEU A 58 17.991 3.333 8.403 1.00 0.00 C ATOM 971 CG LEU A 58 16.704 3.375 9.229 1.00 0.00 C ATOM 972 CD1 LEU A 58 16.855 4.330 10.404 1.00 0.00 C ATOM 973 CD2 LEU A 58 15.523 3.781 8.358 1.00 0.00 C ATOM 0 H LEU A 58 20.483 3.622 8.727 1.00 0.00 H new ATOM 0 HA LEU A 58 18.550 1.629 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.517 4.279 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.725 3.255 7.349 1.00 0.00 H new ATOM 0 HG LEU A 58 16.514 2.376 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.930 4.347 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.674 3.996 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.070 5.332 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.616 3.805 8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.705 4.770 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.401 3.059 7.551 1.00 0.00 H new ATOM 985 N LYS A 59 20.121 1.458 6.752 1.00 0.00 N ATOM 986 CA LYS A 59 20.369 0.639 5.564 1.00 0.00 C ATOM 987 C LYS A 59 20.014 -0.831 5.796 1.00 0.00 C ATOM 988 O LYS A 59 19.303 -1.436 4.996 1.00 0.00 O ATOM 989 CB LYS A 59 21.834 0.759 5.138 1.00 0.00 C ATOM 990 CG LYS A 59 22.019 0.963 3.643 1.00 0.00 C ATOM 991 CD LYS A 59 23.374 0.457 3.174 1.00 0.00 C ATOM 992 CE LYS A 59 23.474 -1.055 3.293 1.00 0.00 C ATOM 993 NZ LYS A 59 24.322 -1.645 2.219 1.00 0.00 N ATOM 0 H LYS A 59 20.811 2.194 6.902 1.00 0.00 H new ATOM 0 HA LYS A 59 19.724 1.014 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.291 1.594 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.367 -0.142 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.228 0.442 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 59 21.923 2.022 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 59 23.536 0.753 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 59 24.162 0.923 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 59 23.889 -1.315 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.475 -1.489 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.364 -2.677 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.913 -1.419 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.283 -1.251 2.279 1.00 0.00 H new ATOM 1007 N PRO A 60 20.504 -1.427 6.895 1.00 0.00 N ATOM 1008 CA PRO A 60 20.229 -2.829 7.219 1.00 0.00 C ATOM 1009 C PRO A 60 18.764 -3.068 7.553 1.00 0.00 C ATOM 1010 O PRO A 60 18.219 -4.133 7.264 1.00 0.00 O ATOM 1011 CB PRO A 60 21.112 -3.110 8.444 1.00 0.00 C ATOM 1012 CG PRO A 60 22.070 -1.967 8.517 1.00 0.00 C ATOM 1013 CD PRO A 60 21.363 -0.793 7.904 1.00 0.00 C ATOM 0 HA PRO A 60 20.442 -3.484 6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.513 -3.178 9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.640 -4.058 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 60 22.350 -1.758 9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.989 -2.194 7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 60 20.782 -0.240 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.063 -0.088 7.455 1.00 0.00 H new ATOM 1021 N LYS A 61 18.127 -2.074 8.160 1.00 0.00 N ATOM 1022 CA LYS A 61 16.721 -2.192 8.522 1.00 0.00 C ATOM 1023 C LYS A 61 15.844 -2.241 7.277 1.00 0.00 C ATOM 1024 O LYS A 61 14.751 -2.805 7.303 1.00 0.00 O ATOM 1025 CB LYS A 61 16.287 -1.040 9.427 1.00 0.00 C ATOM 1026 CG LYS A 61 15.082 -1.381 10.290 1.00 0.00 C ATOM 1027 CD LYS A 61 13.797 -0.839 9.691 1.00 0.00 C ATOM 1028 CE LYS A 61 13.364 0.449 10.372 1.00 0.00 C ATOM 1029 NZ LYS A 61 12.468 0.190 11.533 1.00 0.00 N ATOM 0 H LYS A 61 18.558 -1.184 8.410 1.00 0.00 H new ATOM 0 HA LYS A 61 16.598 -3.125 9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.120 -0.758 10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.052 -0.171 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.006 -2.463 10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.221 -0.969 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.939 -0.658 8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.008 -1.585 9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.245 0.996 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.850 1.085 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.195 1.094 11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.615 -0.309 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.967 -0.396 12.233 1.00 0.00 H new ATOM 1043 N ILE A 62 16.332 -1.667 6.176 1.00 0.00 N ATOM 1044 CA ILE A 62 15.579 -1.683 4.927 1.00 0.00 C ATOM 1045 C ILE A 62 15.183 -3.118 4.594 1.00 0.00 C ATOM 1046 O ILE A 62 14.119 -3.370 4.025 1.00 0.00 O ATOM 1047 CB ILE A 62 16.390 -1.059 3.763 1.00 0.00 C ATOM 1048 CG1 ILE A 62 16.238 0.464 3.773 1.00 0.00 C ATOM 1049 CG2 ILE A 62 15.950 -1.623 2.416 1.00 0.00 C ATOM 1050 CD1 ILE A 62 16.458 1.085 5.134 1.00 0.00 C ATOM 0 H ILE A 62 17.233 -1.192 6.126 1.00 0.00 H new ATOM 0 HA ILE A 62 14.682 -1.077 5.057 1.00 0.00 H new ATOM 0 HB ILE A 62 17.439 -1.315 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.947 0.896 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.239 0.724 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 62 16.538 -1.165 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 62 16.104 -2.702 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.894 -1.405 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.334 2.166 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.732 0.681 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 62 17.466 0.856 5.480 1.00 0.00 H new ATOM 1062 N ASP A 63 16.031 -4.058 5.003 1.00 0.00 N ATOM 1063 CA ASP A 63 15.758 -5.465 4.798 1.00 0.00 C ATOM 1064 C ASP A 63 14.586 -5.847 5.684 1.00 0.00 C ATOM 1065 O ASP A 63 13.665 -6.542 5.258 1.00 0.00 O ATOM 1066 CB ASP A 63 16.992 -6.305 5.141 1.00 0.00 C ATOM 1067 CG ASP A 63 17.430 -7.185 3.986 1.00 0.00 C ATOM 1068 OD1 ASP A 63 18.534 -6.952 3.449 1.00 0.00 O ATOM 1069 OD2 ASP A 63 16.670 -8.104 3.619 1.00 0.00 O ATOM 0 H ASP A 63 16.912 -3.864 5.478 1.00 0.00 H new ATOM 0 HA ASP A 63 15.513 -5.654 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.812 -5.644 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.774 -6.929 6.008 1.00 0.00 H new ATOM 1074 N GLU A 64 14.620 -5.341 6.917 1.00 0.00 N ATOM 1075 CA GLU A 64 13.555 -5.578 7.878 1.00 0.00 C ATOM 1076 C GLU A 64 12.235 -5.077 7.310 1.00 0.00 C ATOM 1077 O GLU A 64 11.218 -5.761 7.369 1.00 0.00 O ATOM 1078 CB GLU A 64 13.866 -4.872 9.202 1.00 0.00 C ATOM 1079 CG GLU A 64 14.310 -5.819 10.305 1.00 0.00 C ATOM 1080 CD GLU A 64 14.049 -5.262 11.691 1.00 0.00 C ATOM 1081 OE1 GLU A 64 14.325 -4.064 11.912 1.00 0.00 O ATOM 1082 OE2 GLU A 64 13.567 -6.024 12.556 1.00 0.00 O ATOM 0 H GLU A 64 15.381 -4.761 7.271 1.00 0.00 H new ATOM 0 HA GLU A 64 13.479 -6.648 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.647 -4.131 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.979 -4.331 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.788 -6.769 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.375 -6.026 10.195 1.00 0.00 H new ATOM 1089 N ILE A 65 12.275 -3.878 6.738 1.00 0.00 N ATOM 1090 CA ILE A 65 11.099 -3.266 6.129 1.00 0.00 C ATOM 1091 C ILE A 65 10.479 -4.195 5.091 1.00 0.00 C ATOM 1092 O ILE A 65 9.259 -4.296 4.988 1.00 0.00 O ATOM 1093 CB ILE A 65 11.467 -1.931 5.449 1.00 0.00 C ATOM 1094 CG1 ILE A 65 12.101 -0.978 6.463 1.00 0.00 C ATOM 1095 CG2 ILE A 65 10.237 -1.297 4.816 1.00 0.00 C ATOM 1096 CD1 ILE A 65 11.179 -0.632 7.609 1.00 0.00 C ATOM 0 H ILE A 65 13.118 -3.306 6.683 1.00 0.00 H new ATOM 0 HA ILE A 65 10.378 -3.081 6.925 1.00 0.00 H new ATOM 0 HB ILE A 65 12.192 -2.131 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.009 -1.431 6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.398 -0.061 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.516 -0.356 4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.824 -1.973 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.489 -1.107 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.688 0.047 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.281 -0.151 7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.902 -1.542 8.141 1.00 0.00 H new ATOM 1108 N SER A 66 11.330 -4.864 4.319 1.00 0.00 N ATOM 1109 CA SER A 66 10.865 -5.778 3.281 1.00 0.00 C ATOM 1110 C SER A 66 10.450 -7.127 3.864 1.00 0.00 C ATOM 1111 O SER A 66 9.363 -7.627 3.576 1.00 0.00 O ATOM 1112 CB SER A 66 11.958 -5.981 2.230 1.00 0.00 C ATOM 1113 OG SER A 66 12.845 -4.875 2.195 1.00 0.00 O ATOM 0 H SER A 66 12.345 -4.790 4.392 1.00 0.00 H new ATOM 0 HA SER A 66 9.989 -5.329 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.515 -6.891 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.503 -6.117 1.249 1.00 0.00 H new ATOM 0 HG SER A 66 12.329 -4.042 2.202 1.00 0.00 H new ATOM 1387 N LYS B 9 -2.625 -13.774 -3.411 1.00 0.00 N ATOM 1388 CA LYS B 9 -2.218 -12.476 -3.941 1.00 0.00 C ATOM 1389 C LYS B 9 -3.032 -12.139 -5.192 1.00 0.00 C ATOM 1390 O LYS B 9 -3.582 -13.035 -5.832 1.00 0.00 O ATOM 1391 CB LYS B 9 -0.717 -12.496 -4.253 1.00 0.00 C ATOM 1392 CG LYS B 9 -0.250 -11.361 -5.150 1.00 0.00 C ATOM 1393 CD LYS B 9 0.068 -11.836 -6.566 1.00 0.00 C ATOM 1394 CE LYS B 9 -1.010 -12.745 -7.143 1.00 0.00 C ATOM 1395 NZ LYS B 9 -0.535 -13.465 -8.356 1.00 0.00 N ATOM 0 HA LYS B 9 -2.409 -11.704 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -0.162 -12.455 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.469 -13.445 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.022 -10.592 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS B 9 0.637 -10.899 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.191 -10.969 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS B 9 1.020 -12.368 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.318 -13.469 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.890 -12.152 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -1.325 -13.994 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.170 -12.778 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.223 -14.127 -8.092 1.00 0.00 H new ATOM 1409 N LYS B 10 -3.108 -10.856 -5.548 1.00 0.00 N ATOM 1410 CA LYS B 10 -3.860 -10.455 -6.734 1.00 0.00 C ATOM 1411 C LYS B 10 -3.082 -9.424 -7.550 1.00 0.00 C ATOM 1412 O LYS B 10 -2.310 -8.652 -6.999 1.00 0.00 O ATOM 1413 CB LYS B 10 -5.201 -9.866 -6.309 1.00 0.00 C ATOM 1414 CG LYS B 10 -6.211 -10.896 -5.833 1.00 0.00 C ATOM 1415 CD LYS B 10 -7.073 -10.349 -4.699 1.00 0.00 C ATOM 1416 CE LYS B 10 -8.556 -10.454 -5.020 1.00 0.00 C ATOM 1417 NZ LYS B 10 -9.231 -11.495 -4.198 1.00 0.00 N ATOM 0 H LYS B 10 -2.666 -10.089 -5.041 1.00 0.00 H new ATOM 0 HA LYS B 10 -4.022 -11.335 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -5.031 -9.144 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -5.627 -9.317 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -6.849 -11.194 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -5.688 -11.791 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -6.859 -10.898 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -6.813 -9.307 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -9.034 -9.490 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -8.683 -10.688 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -10.240 -11.534 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -8.793 -12.420 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -9.133 -11.259 -3.190 1.00 0.00 H new ATOM 1431 N LYS B 11 -3.292 -9.393 -8.864 1.00 0.00 N ATOM 1432 CA LYS B 11 -2.598 -8.412 -9.690 1.00 0.00 C ATOM 1433 C LYS B 11 -3.245 -7.049 -9.499 1.00 0.00 C ATOM 1434 O LYS B 11 -4.361 -6.808 -9.962 1.00 0.00 O ATOM 1435 CB LYS B 11 -2.620 -8.804 -11.170 1.00 0.00 C ATOM 1436 CG LYS B 11 -1.933 -10.130 -11.459 1.00 0.00 C ATOM 1437 CD LYS B 11 -2.911 -11.294 -11.397 1.00 0.00 C ATOM 1438 CE LYS B 11 -2.404 -12.401 -10.486 1.00 0.00 C ATOM 1439 NZ LYS B 11 -1.638 -13.434 -11.239 1.00 0.00 N ATOM 0 H LYS B 11 -3.920 -10.019 -9.368 1.00 0.00 H new ATOM 0 HA LYS B 11 -1.555 -8.375 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -3.655 -8.860 -11.507 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -2.137 -8.019 -11.752 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -1.472 -10.094 -12.446 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.131 -10.289 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.877 -10.940 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -3.070 -11.691 -12.400 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -1.769 -11.971 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -3.248 -12.871 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -1.602 -14.313 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -2.106 -13.618 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -0.671 -13.093 -11.410 1.00 0.00 H new ATOM 1453 N THR B 12 -2.550 -6.168 -8.793 1.00 0.00 N ATOM 1454 CA THR B 12 -3.068 -4.838 -8.517 1.00 0.00 C ATOM 1455 C THR B 12 -2.487 -3.805 -9.474 1.00 0.00 C ATOM 1456 O THR B 12 -1.347 -3.930 -9.912 1.00 0.00 O ATOM 1457 CB THR B 12 -2.760 -4.442 -7.073 1.00 0.00 C ATOM 1458 OG1 THR B 12 -2.815 -5.572 -6.221 1.00 0.00 O ATOM 1459 CG2 THR B 12 -3.713 -3.404 -6.521 1.00 0.00 C ATOM 0 H THR B 12 -1.626 -6.352 -8.402 1.00 0.00 H new ATOM 0 HA THR B 12 -4.148 -4.864 -8.662 1.00 0.00 H new ATOM 0 HB THR B 12 -1.758 -4.015 -7.098 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.751 -5.813 -6.057 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.438 -3.168 -5.493 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.658 -2.500 -7.128 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.730 -3.795 -6.544 1.00 0.00 H new ATOM 1467 N THR B 13 -3.277 -2.783 -9.796 1.00 0.00 N ATOM 1468 CA THR B 13 -2.821 -1.734 -10.701 1.00 0.00 C ATOM 1469 C THR B 13 -2.978 -0.352 -10.081 1.00 0.00 C ATOM 1470 O THR B 13 -3.937 -0.081 -9.360 1.00 0.00 O ATOM 1471 CB THR B 13 -3.587 -1.781 -12.022 1.00 0.00 C ATOM 1472 OG1 THR B 13 -4.059 -3.090 -12.291 1.00 0.00 O ATOM 1473 CG2 THR B 13 -2.755 -1.333 -13.202 1.00 0.00 C ATOM 0 H THR B 13 -4.227 -2.660 -9.447 1.00 0.00 H new ATOM 0 HA THR B 13 -1.763 -1.916 -10.889 1.00 0.00 H new ATOM 0 HB THR B 13 -4.420 -1.089 -11.899 1.00 0.00 H new ATOM 0 HG1 THR B 13 -4.547 -3.094 -13.141 1.00 0.00 H new ATOM 0 HG21 THR B 13 -3.354 -1.388 -14.111 1.00 0.00 H new ATOM 0 HG22 THR B 13 -2.426 -0.306 -13.046 1.00 0.00 H new ATOM 0 HG23 THR B 13 -1.885 -1.982 -13.301 1.00 0.00 H new ATOM 1481 N LEU B 14 -2.032 0.523 -10.395 1.00 0.00 N ATOM 1482 CA LEU B 14 -2.049 1.893 -9.905 1.00 0.00 C ATOM 1483 C LEU B 14 -1.613 2.830 -11.019 1.00 0.00 C ATOM 1484 O LEU B 14 -0.611 2.583 -11.683 1.00 0.00 O ATOM 1485 CB LEU B 14 -1.123 2.060 -8.699 1.00 0.00 C ATOM 1486 CG LEU B 14 -0.960 0.823 -7.817 1.00 0.00 C ATOM 1487 CD1 LEU B 14 0.369 0.877 -7.085 1.00 0.00 C ATOM 1488 CD2 LEU B 14 -2.117 0.708 -6.834 1.00 0.00 C ATOM 0 H LEU B 14 -1.236 0.304 -10.993 1.00 0.00 H new ATOM 0 HA LEU B 14 -3.064 2.135 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -0.139 2.361 -9.058 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.501 2.876 -8.083 1.00 0.00 H new ATOM 0 HG LEU B 14 -0.970 -0.063 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU B 14 0.476 -0.009 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU B 14 1.183 0.909 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU B 14 0.404 1.769 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -1.982 -0.179 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.144 1.593 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -3.055 0.628 -7.384 1.00 0.00 H new ATOM 1500 N ALA B 15 -2.367 3.896 -11.238 1.00 0.00 N ATOM 1501 CA ALA B 15 -2.034 4.831 -12.301 1.00 0.00 C ATOM 1502 C ALA B 15 -1.062 5.902 -11.823 1.00 0.00 C ATOM 1503 O ALA B 15 -1.461 7.002 -11.443 1.00 0.00 O ATOM 1504 CB ALA B 15 -3.295 5.464 -12.865 1.00 0.00 C ATOM 0 H ALA B 15 -3.202 4.133 -10.702 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.539 4.270 -13.094 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -3.028 6.161 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -3.944 4.686 -13.268 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.819 6.000 -12.073 1.00 0.00 H new ATOM 1510 N PHE B 16 0.221 5.560 -11.879 1.00 0.00 N ATOM 1511 CA PHE B 16 1.305 6.451 -11.486 1.00 0.00 C ATOM 1512 C PHE B 16 2.613 5.859 -11.956 1.00 0.00 C ATOM 1513 O PHE B 16 2.647 4.752 -12.474 1.00 0.00 O ATOM 1514 CB PHE B 16 1.366 6.662 -9.968 1.00 0.00 C ATOM 1515 CG PHE B 16 0.135 7.294 -9.383 1.00 0.00 C ATOM 1516 CD1 PHE B 16 0.005 8.673 -9.333 1.00 0.00 C ATOM 1517 CD2 PHE B 16 -0.893 6.510 -8.881 1.00 0.00 C ATOM 1518 CE1 PHE B 16 -1.125 9.258 -8.795 1.00 0.00 C ATOM 1519 CE2 PHE B 16 -2.025 7.089 -8.342 1.00 0.00 C ATOM 1520 CZ PHE B 16 -2.141 8.465 -8.298 1.00 0.00 C ATOM 0 H PHE B 16 0.540 4.647 -12.202 1.00 0.00 H new ATOM 0 HA PHE B 16 1.123 7.423 -11.945 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.530 5.699 -9.485 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.228 7.287 -9.734 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.797 9.298 -9.719 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -0.807 5.434 -8.912 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -1.214 10.334 -8.763 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -2.819 6.467 -7.955 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.025 8.920 -7.876 1.00 0.00 H new ATOM 1530 N ASP B 17 3.681 6.602 -11.788 1.00 0.00 N ATOM 1531 CA ASP B 17 4.997 6.152 -12.205 1.00 0.00 C ATOM 1532 C ASP B 17 5.908 7.338 -12.318 1.00 0.00 C ATOM 1533 O ASP B 17 7.092 7.262 -12.010 1.00 0.00 O ATOM 1534 CB ASP B 17 4.946 5.420 -13.544 1.00 0.00 C ATOM 1535 CG ASP B 17 5.059 3.915 -13.392 1.00 0.00 C ATOM 1536 OD1 ASP B 17 5.064 3.431 -12.240 1.00 0.00 O ATOM 1537 OD2 ASP B 17 5.144 3.219 -14.426 1.00 0.00 O ATOM 0 H ASP B 17 3.668 7.529 -11.362 1.00 0.00 H new ATOM 0 HA ASP B 17 5.371 5.453 -11.457 1.00 0.00 H new ATOM 0 HB2 ASP B 17 4.011 5.661 -14.050 1.00 0.00 H new ATOM 0 HB3 ASP B 17 5.755 5.779 -14.181 1.00 0.00 H new ATOM 1542 N GLU B 18 5.353 8.451 -12.750 1.00 0.00 N ATOM 1543 CA GLU B 18 6.153 9.644 -12.883 1.00 0.00 C ATOM 1544 C GLU B 18 6.983 9.848 -11.614 1.00 0.00 C ATOM 1545 O GLU B 18 8.218 9.809 -11.642 1.00 0.00 O ATOM 1546 CB GLU B 18 5.273 10.871 -13.151 1.00 0.00 C ATOM 1547 CG GLU B 18 5.999 12.201 -12.991 1.00 0.00 C ATOM 1548 CD GLU B 18 5.072 13.391 -13.136 1.00 0.00 C ATOM 1549 OE1 GLU B 18 4.046 13.436 -12.425 1.00 0.00 O ATOM 1550 OE2 GLU B 18 5.372 14.279 -13.962 1.00 0.00 O ATOM 0 H GLU B 18 4.372 8.552 -13.010 1.00 0.00 H new ATOM 0 HA GLU B 18 6.822 9.523 -13.735 1.00 0.00 H new ATOM 0 HB2 GLU B 18 4.875 10.806 -14.164 1.00 0.00 H new ATOM 0 HB3 GLU B 18 4.421 10.850 -12.471 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.477 12.234 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU B 18 6.792 12.270 -13.736 1.00 0.00 H new ATOM 1557 N ASP B 19 6.288 10.034 -10.497 1.00 0.00 N ATOM 1558 CA ASP B 19 6.955 10.231 -9.216 1.00 0.00 C ATOM 1559 C ASP B 19 7.297 8.904 -8.552 1.00 0.00 C ATOM 1560 O ASP B 19 8.421 8.709 -8.093 1.00 0.00 O ATOM 1561 CB ASP B 19 6.083 11.077 -8.285 1.00 0.00 C ATOM 1562 CG ASP B 19 6.575 12.507 -8.174 1.00 0.00 C ATOM 1563 OD1 ASP B 19 5.998 13.387 -8.845 1.00 0.00 O ATOM 1564 OD2 ASP B 19 7.538 12.745 -7.414 1.00 0.00 O ATOM 0 H ASP B 19 5.269 10.052 -10.453 1.00 0.00 H new ATOM 0 HA ASP B 19 7.889 10.759 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.057 11.076 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP B 19 6.067 10.623 -7.294 1.00 0.00 H new ATOM 1569 N VAL B 20 6.332 7.996 -8.492 1.00 0.00 N ATOM 1570 CA VAL B 20 6.569 6.704 -7.871 1.00 0.00 C ATOM 1571 C VAL B 20 7.661 5.934 -8.611 1.00 0.00 C ATOM 1572 O VAL B 20 8.566 5.392 -7.985 1.00 0.00 O ATOM 1573 CB VAL B 20 5.281 5.856 -7.778 1.00 0.00 C ATOM 1574 CG1 VAL B 20 4.168 6.652 -7.113 1.00 0.00 C ATOM 1575 CG2 VAL B 20 4.842 5.374 -9.147 1.00 0.00 C ATOM 0 H VAL B 20 5.390 8.129 -8.861 1.00 0.00 H new ATOM 0 HA VAL B 20 6.906 6.900 -6.853 1.00 0.00 H new ATOM 0 HB VAL B 20 5.499 4.980 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.268 6.040 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL B 20 4.477 6.939 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL B 20 3.961 7.548 -7.699 1.00 0.00 H new ATOM 0 HG21 VAL B 20 3.933 4.780 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL B 20 4.647 6.232 -9.790 1.00 0.00 H new ATOM 0 HG23 VAL B 20 5.630 4.762 -9.587 1.00 0.00 H new ATOM 1585 N TYR B 21 7.597 5.907 -9.944 1.00 0.00 N ATOM 1586 CA TYR B 21 8.618 5.208 -10.720 1.00 0.00 C ATOM 1587 C TYR B 21 9.969 5.890 -10.544 1.00 0.00 C ATOM 1588 O TYR B 21 10.982 5.219 -10.346 1.00 0.00 O ATOM 1589 CB TYR B 21 8.257 5.127 -12.210 1.00 0.00 C ATOM 1590 CG TYR B 21 8.858 3.928 -12.911 1.00 0.00 C ATOM 1591 CD1 TYR B 21 10.111 4.008 -13.509 1.00 0.00 C ATOM 1592 CD2 TYR B 21 8.176 2.720 -12.976 1.00 0.00 C ATOM 1593 CE1 TYR B 21 10.665 2.917 -14.151 1.00 0.00 C ATOM 1594 CE2 TYR B 21 8.724 1.625 -13.616 1.00 0.00 C ATOM 1595 CZ TYR B 21 9.968 1.729 -14.202 1.00 0.00 C ATOM 1596 OH TYR B 21 10.517 0.640 -14.840 1.00 0.00 O ATOM 0 H TYR B 21 6.865 6.352 -10.497 1.00 0.00 H new ATOM 0 HA TYR B 21 8.673 4.187 -10.342 1.00 0.00 H new ATOM 0 HB2 TYR B 21 7.172 5.092 -12.312 1.00 0.00 H new ATOM 0 HB3 TYR B 21 8.594 6.036 -12.708 1.00 0.00 H new ATOM 0 HD1 TYR B 21 10.660 4.937 -13.471 1.00 0.00 H new ATOM 0 HD2 TYR B 21 7.201 2.635 -12.519 1.00 0.00 H new ATOM 0 HE1 TYR B 21 11.639 2.995 -14.611 1.00 0.00 H new ATOM 0 HE2 TYR B 21 8.181 0.692 -13.657 1.00 0.00 H new ATOM 0 HH TYR B 21 9.898 -0.118 -14.784 1.00 0.00 H new ATOM 1606 N HIS B 22 9.993 7.226 -10.596 1.00 0.00 N ATOM 1607 CA HIS B 22 11.247 7.947 -10.417 1.00 0.00 C ATOM 1608 C HIS B 22 11.763 7.757 -8.997 1.00 0.00 C ATOM 1609 O HIS B 22 12.932 7.434 -8.794 1.00 0.00 O ATOM 1610 CB HIS B 22 11.068 9.435 -10.725 1.00 0.00 C ATOM 1611 CG HIS B 22 12.356 10.149 -10.996 1.00 0.00 C ATOM 1612 ND1 HIS B 22 12.984 10.948 -10.064 1.00 0.00 N ATOM 1613 CD2 HIS B 22 13.136 10.182 -12.103 1.00 0.00 C ATOM 1614 CE1 HIS B 22 14.093 11.442 -10.586 1.00 0.00 C ATOM 1615 NE2 HIS B 22 14.208 10.992 -11.822 1.00 0.00 N ATOM 0 H HIS B 22 9.176 7.815 -10.757 1.00 0.00 H new ATOM 0 HA HIS B 22 11.980 7.542 -11.115 1.00 0.00 H new ATOM 0 HB2 HIS B 22 10.413 9.542 -11.590 1.00 0.00 H new ATOM 0 HB3 HIS B 22 10.566 9.914 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS B 22 12.949 9.667 -13.034 1.00 0.00 H new ATOM 0 HE1 HIS B 22 14.787 12.102 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS B 22 14.970 11.211 -12.464 1.00 0.00 H new ATOM 1624 N THR B 23 10.886 7.936 -8.012 1.00 0.00 N ATOM 1625 CA THR B 23 11.280 7.754 -6.622 1.00 0.00 C ATOM 1626 C THR B 23 11.725 6.316 -6.397 1.00 0.00 C ATOM 1627 O THR B 23 12.715 6.052 -5.711 1.00 0.00 O ATOM 1628 CB THR B 23 10.138 8.096 -5.672 1.00 0.00 C ATOM 1629 OG1 THR B 23 9.009 7.279 -5.927 1.00 0.00 O ATOM 1630 CG2 THR B 23 9.693 9.539 -5.758 1.00 0.00 C ATOM 0 H THR B 23 9.911 8.203 -8.150 1.00 0.00 H new ATOM 0 HA THR B 23 12.108 8.432 -6.413 1.00 0.00 H new ATOM 0 HB THR B 23 10.535 7.918 -4.673 1.00 0.00 H new ATOM 0 HG1 THR B 23 8.676 7.455 -6.832 1.00 0.00 H new ATOM 0 HG21 THR B 23 8.878 9.711 -5.055 1.00 0.00 H new ATOM 0 HG22 THR B 23 10.529 10.193 -5.511 1.00 0.00 H new ATOM 0 HG23 THR B 23 9.351 9.754 -6.770 1.00 0.00 H new ATOM 1638 N LEU B 24 11.000 5.382 -7.008 1.00 0.00 N ATOM 1639 CA LEU B 24 11.342 3.971 -6.902 1.00 0.00 C ATOM 1640 C LEU B 24 12.770 3.747 -7.385 1.00 0.00 C ATOM 1641 O LEU B 24 13.384 2.724 -7.085 1.00 0.00 O ATOM 1642 CB LEU B 24 10.369 3.112 -7.718 1.00 0.00 C ATOM 1643 CG LEU B 24 9.319 2.364 -6.893 1.00 0.00 C ATOM 1644 CD1 LEU B 24 9.974 1.611 -5.749 1.00 0.00 C ATOM 1645 CD2 LEU B 24 8.269 3.326 -6.360 1.00 0.00 C ATOM 0 H LEU B 24 10.177 5.578 -7.578 1.00 0.00 H new ATOM 0 HA LEU B 24 11.266 3.674 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.857 3.752 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU B 24 10.943 2.385 -8.292 1.00 0.00 H new ATOM 0 HG LEU B 24 8.826 1.643 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.211 1.086 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.687 0.890 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.495 2.316 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.532 2.774 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.748 4.073 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.773 3.822 -7.194 1.00 0.00 H new ATOM 1657 N LYS B 25 13.291 4.710 -8.145 1.00 0.00 N ATOM 1658 CA LYS B 25 14.638 4.616 -8.675 1.00 0.00 C ATOM 1659 C LYS B 25 15.688 4.663 -7.571 1.00 0.00 C ATOM 1660 O LYS B 25 16.597 3.835 -7.547 1.00 0.00 O ATOM 1661 CB LYS B 25 14.901 5.728 -9.690 1.00 0.00 C ATOM 1662 CG LYS B 25 16.201 5.549 -10.456 1.00 0.00 C ATOM 1663 CD LYS B 25 17.350 6.282 -9.782 1.00 0.00 C ATOM 1664 CE LYS B 25 18.681 5.599 -10.051 1.00 0.00 C ATOM 1665 NZ LYS B 25 19.729 6.020 -9.080 1.00 0.00 N ATOM 0 H LYS B 25 12.795 5.563 -8.404 1.00 0.00 H new ATOM 0 HA LYS B 25 14.717 3.650 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.073 5.767 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS B 25 14.922 6.686 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS B 25 16.438 4.488 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS B 25 16.079 5.919 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS B 25 17.388 7.310 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS B 25 17.174 6.327 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS B 25 18.551 4.518 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS B 25 19.010 5.832 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 20.621 5.532 -9.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 19.872 7.048 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 19.427 5.775 -8.115 1.00 0.00 H new ATOM 1679 N LEU B 26 15.573 5.624 -6.655 1.00 0.00 N ATOM 1680 CA LEU B 26 16.548 5.717 -5.573 1.00 0.00 C ATOM 1681 C LEU B 26 16.367 4.551 -4.623 1.00 0.00 C ATOM 1682 O LEU B 26 17.330 3.897 -4.237 1.00 0.00 O ATOM 1683 CB LEU B 26 16.453 7.038 -4.801 1.00 0.00 C ATOM 1684 CG LEU B 26 15.842 8.204 -5.564 1.00 0.00 C ATOM 1685 CD1 LEU B 26 14.338 8.169 -5.415 1.00 0.00 C ATOM 1686 CD2 LEU B 26 16.407 9.526 -5.067 1.00 0.00 C ATOM 0 H LEU B 26 14.837 6.330 -6.639 1.00 0.00 H new ATOM 0 HA LEU B 26 17.538 5.684 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.865 6.869 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU B 26 17.455 7.323 -4.479 1.00 0.00 H new ATOM 0 HG LEU B 26 16.095 8.113 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.899 9.004 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.954 7.231 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.075 8.247 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU B 26 15.957 10.347 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.182 9.642 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.487 9.538 -5.212 1.00 0.00 H new ATOM 1698 N VAL B 27 15.119 4.290 -4.264 1.00 0.00 N ATOM 1699 CA VAL B 27 14.803 3.185 -3.369 1.00 0.00 C ATOM 1700 C VAL B 27 15.213 1.861 -3.977 1.00 0.00 C ATOM 1701 O VAL B 27 15.753 0.998 -3.294 1.00 0.00 O ATOM 1702 CB VAL B 27 13.306 3.107 -3.026 1.00 0.00 C ATOM 1703 CG1 VAL B 27 13.039 3.624 -1.626 1.00 0.00 C ATOM 1704 CG2 VAL B 27 12.494 3.861 -4.030 1.00 0.00 C ATOM 0 H VAL B 27 14.310 4.826 -4.577 1.00 0.00 H new ATOM 0 HA VAL B 27 15.363 3.378 -2.454 1.00 0.00 H new ATOM 0 HB VAL B 27 13.008 2.059 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.973 3.557 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL B 27 13.593 3.024 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL B 27 13.359 4.664 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.438 3.793 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL B 27 12.800 4.907 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL B 27 12.651 3.433 -5.020 1.00 0.00 H new ATOM 1714 N SER B 28 14.937 1.687 -5.259 1.00 0.00 N ATOM 1715 CA SER B 28 15.275 0.438 -5.906 1.00 0.00 C ATOM 1716 C SER B 28 16.781 0.222 -5.935 1.00 0.00 C ATOM 1717 O SER B 28 17.259 -0.900 -5.760 1.00 0.00 O ATOM 1718 CB SER B 28 14.700 0.379 -7.323 1.00 0.00 C ATOM 1719 OG SER B 28 15.235 1.411 -8.134 1.00 0.00 O ATOM 0 H SER B 28 14.489 2.380 -5.858 1.00 0.00 H new ATOM 0 HA SER B 28 14.828 -0.365 -5.321 1.00 0.00 H new ATOM 0 HB2 SER B 28 14.922 -0.590 -7.769 1.00 0.00 H new ATOM 0 HB3 SER B 28 13.615 0.470 -7.282 1.00 0.00 H new ATOM 0 HG SER B 28 14.974 2.282 -7.769 1.00 0.00 H new ATOM 1725 N VAL B 29 17.522 1.304 -6.145 1.00 0.00 N ATOM 1726 CA VAL B 29 18.972 1.242 -6.189 1.00 0.00 C ATOM 1727 C VAL B 29 19.543 1.194 -4.779 1.00 0.00 C ATOM 1728 O VAL B 29 20.429 0.394 -4.475 1.00 0.00 O ATOM 1729 CB VAL B 29 19.534 2.464 -6.954 1.00 0.00 C ATOM 1730 CG1 VAL B 29 20.377 3.361 -6.060 1.00 0.00 C ATOM 1731 CG2 VAL B 29 20.326 2.018 -8.174 1.00 0.00 C ATOM 0 H VAL B 29 17.137 2.238 -6.288 1.00 0.00 H new ATOM 0 HA VAL B 29 19.267 0.333 -6.714 1.00 0.00 H new ATOM 0 HB VAL B 29 18.682 3.055 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL B 29 20.750 4.205 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL B 29 19.767 3.729 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL B 29 21.219 2.793 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL B 29 20.712 2.893 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL B 29 21.158 1.388 -7.858 1.00 0.00 H new ATOM 0 HG23 VAL B 29 19.677 1.453 -8.843 1.00 0.00 H new ATOM 1741 N TYR B 30 19.029 2.069 -3.928 1.00 0.00 N ATOM 1742 CA TYR B 30 19.480 2.152 -2.545 1.00 0.00 C ATOM 1743 C TYR B 30 18.979 0.971 -1.723 1.00 0.00 C ATOM 1744 O TYR B 30 19.597 0.605 -0.722 1.00 0.00 O ATOM 1745 CB TYR B 30 19.019 3.462 -1.903 1.00 0.00 C ATOM 1746 CG TYR B 30 19.887 4.649 -2.260 1.00 0.00 C ATOM 1747 CD1 TYR B 30 19.342 5.778 -2.858 1.00 0.00 C ATOM 1748 CD2 TYR B 30 21.251 4.639 -1.996 1.00 0.00 C ATOM 1749 CE1 TYR B 30 20.132 6.863 -3.185 1.00 0.00 C ATOM 1750 CE2 TYR B 30 22.048 5.721 -2.320 1.00 0.00 C ATOM 1751 CZ TYR B 30 21.484 6.830 -2.914 1.00 0.00 C ATOM 1752 OH TYR B 30 22.274 7.909 -3.238 1.00 0.00 O ATOM 0 H TYR B 30 18.296 2.735 -4.171 1.00 0.00 H new ATOM 0 HA TYR B 30 20.570 2.124 -2.557 1.00 0.00 H new ATOM 0 HB2 TYR B 30 17.994 3.667 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR B 30 19.009 3.342 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR B 30 18.284 5.808 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR B 30 21.696 3.772 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR B 30 19.693 7.733 -3.651 1.00 0.00 H new ATOM 0 HE2 TYR B 30 23.107 5.698 -2.109 1.00 0.00 H new ATOM 0 HH TYR B 30 23.201 7.725 -2.980 1.00 0.00 H new ATOM 1762 N LEU B 31 17.864 0.369 -2.136 1.00 0.00 N ATOM 1763 CA LEU B 31 17.321 -0.766 -1.405 1.00 0.00 C ATOM 1764 C LEU B 31 17.516 -2.060 -2.190 1.00 0.00 C ATOM 1765 O LEU B 31 17.156 -3.138 -1.718 1.00 0.00 O ATOM 1766 CB LEU B 31 15.826 -0.568 -1.105 1.00 0.00 C ATOM 1767 CG LEU B 31 15.390 0.816 -0.582 1.00 0.00 C ATOM 1768 CD1 LEU B 31 14.366 0.660 0.534 1.00 0.00 C ATOM 1769 CD2 LEU B 31 16.571 1.645 -0.092 1.00 0.00 C ATOM 0 H LEU B 31 17.329 0.645 -2.960 1.00 0.00 H new ATOM 0 HA LEU B 31 17.862 -0.836 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU B 31 15.268 -0.776 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU B 31 15.527 -1.316 -0.371 1.00 0.00 H new ATOM 0 HG LEU B 31 14.939 1.349 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 31 14.067 1.645 0.894 1.00 0.00 H new ATOM 0 HD12 LEU B 31 13.492 0.132 0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 31 14.805 0.092 1.354 1.00 0.00 H new ATOM 0 HD21 LEU B 31 16.214 2.611 0.266 1.00 0.00 H new ATOM 0 HD22 LEU B 31 17.072 1.119 0.720 1.00 0.00 H new ATOM 0 HD23 LEU B 31 17.272 1.799 -0.912 1.00 0.00 H new ATOM 1781 N ASN B 32 18.073 -1.953 -3.398 1.00 0.00 N ATOM 1782 CA ASN B 32 18.290 -3.123 -4.239 1.00 0.00 C ATOM 1783 C ASN B 32 16.999 -3.922 -4.346 1.00 0.00 C ATOM 1784 O ASN B 32 17.011 -5.152 -4.381 1.00 0.00 O ATOM 1785 CB ASN B 32 19.407 -3.997 -3.664 1.00 0.00 C ATOM 1786 CG ASN B 32 20.399 -4.442 -4.722 1.00 0.00 C ATOM 1787 OD1 ASN B 32 21.609 -4.429 -4.500 1.00 0.00 O ATOM 1788 ND2 ASN B 32 19.887 -4.837 -5.883 1.00 0.00 N ATOM 0 H ASN B 32 18.379 -1.072 -3.811 1.00 0.00 H new ATOM 0 HA ASN B 32 18.591 -2.793 -5.233 1.00 0.00 H new ATOM 0 HB2 ASN B 32 19.934 -3.443 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN B 32 18.969 -4.875 -3.189 1.00 0.00 H new ATOM 0 HD21 ASN B 32 20.504 -5.146 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN B 32 18.877 -4.831 -6.023 1.00 0.00 H new ATOM 1795 N ARG B 33 15.884 -3.201 -4.374 1.00 0.00 N ATOM 1796 CA ARG B 33 14.568 -3.824 -4.450 1.00 0.00 C ATOM 1797 C ARG B 33 13.772 -3.301 -5.638 1.00 0.00 C ATOM 1798 O ARG B 33 13.712 -2.096 -5.874 1.00 0.00 O ATOM 1799 CB ARG B 33 13.790 -3.557 -3.160 1.00 0.00 C ATOM 1800 CG ARG B 33 14.350 -4.285 -1.950 1.00 0.00 C ATOM 1801 CD ARG B 33 13.244 -4.756 -1.020 1.00 0.00 C ATOM 1802 NE ARG B 33 13.564 -6.035 -0.390 1.00 0.00 N ATOM 1803 CZ ARG B 33 13.440 -7.212 -1.000 1.00 0.00 C ATOM 1804 NH1 ARG B 33 13.000 -7.277 -2.251 1.00 0.00 N ATOM 1805 NH2 ARG B 33 13.755 -8.328 -0.356 1.00 0.00 N ATOM 0 H ARG B 33 15.865 -2.182 -4.345 1.00 0.00 H new ATOM 0 HA ARG B 33 14.714 -4.896 -4.581 1.00 0.00 H new ATOM 0 HB2 ARG B 33 13.790 -2.485 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG B 33 12.751 -3.854 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG B 33 14.938 -5.141 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG B 33 15.026 -3.624 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG B 33 13.075 -4.005 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG B 33 12.315 -4.851 -1.582 1.00 0.00 H new ATOM 0 HE ARG B 33 13.902 -6.026 0.572 1.00 0.00 H new ATOM 0 HH11 ARG B 33 12.755 -6.422 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.907 -8.182 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG B 33 14.092 -8.284 0.606 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.660 -9.230 -0.823 1.00 0.00 H new ATOM 1819 N ASP B 34 13.140 -4.213 -6.371 1.00 0.00 N ATOM 1820 CA ASP B 34 12.326 -3.828 -7.516 1.00 0.00 C ATOM 1821 C ASP B 34 11.288 -2.799 -7.084 1.00 0.00 C ATOM 1822 O ASP B 34 11.030 -2.640 -5.891 1.00 0.00 O ATOM 1823 CB ASP B 34 11.640 -5.054 -8.124 1.00 0.00 C ATOM 1824 CG ASP B 34 12.174 -5.389 -9.503 1.00 0.00 C ATOM 1825 OD1 ASP B 34 12.262 -6.592 -9.830 1.00 0.00 O ATOM 1826 OD2 ASP B 34 12.506 -4.450 -10.255 1.00 0.00 O ATOM 0 H ASP B 34 13.176 -5.217 -6.193 1.00 0.00 H new ATOM 0 HA ASP B 34 12.971 -3.387 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP B 34 11.781 -5.910 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP B 34 10.567 -4.873 -8.187 1.00 0.00 H new ATOM 1831 N MET B 35 10.698 -2.099 -8.042 1.00 0.00 N ATOM 1832 CA MET B 35 9.705 -1.095 -7.722 1.00 0.00 C ATOM 1833 C MET B 35 8.519 -1.734 -6.998 1.00 0.00 C ATOM 1834 O MET B 35 7.938 -1.138 -6.093 1.00 0.00 O ATOM 1835 CB MET B 35 9.258 -0.378 -8.999 1.00 0.00 C ATOM 1836 CG MET B 35 7.771 -0.112 -9.058 1.00 0.00 C ATOM 1837 SD MET B 35 7.314 1.036 -10.371 1.00 0.00 S ATOM 1838 CE MET B 35 6.341 2.229 -9.455 1.00 0.00 C ATOM 0 H MET B 35 10.890 -2.209 -9.038 1.00 0.00 H new ATOM 0 HA MET B 35 10.144 -0.355 -7.053 1.00 0.00 H new ATOM 0 HB2 MET B 35 9.791 0.569 -9.079 1.00 0.00 H new ATOM 0 HB3 MET B 35 9.545 -0.979 -9.862 1.00 0.00 H new ATOM 0 HG2 MET B 35 7.244 -1.055 -9.207 1.00 0.00 H new ATOM 0 HG3 MET B 35 7.441 0.290 -8.100 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.459 2.501 -10.034 1.00 0.00 H new ATOM 0 HE2 MET B 35 6.031 1.793 -8.505 1.00 0.00 H new ATOM 0 HE3 MET B 35 6.940 3.120 -9.267 1.00 0.00 H new ATOM 1848 N THR B 36 8.173 -2.953 -7.400 1.00 0.00 N ATOM 1849 CA THR B 36 7.063 -3.673 -6.785 1.00 0.00 C ATOM 1850 C THR B 36 7.416 -4.078 -5.357 1.00 0.00 C ATOM 1851 O THR B 36 6.582 -4.003 -4.457 1.00 0.00 O ATOM 1852 CB THR B 36 6.708 -4.921 -7.609 1.00 0.00 C ATOM 1853 OG1 THR B 36 7.550 -5.034 -8.741 1.00 0.00 O ATOM 1854 CG2 THR B 36 5.276 -4.950 -8.103 1.00 0.00 C ATOM 0 H THR B 36 8.644 -3.462 -8.148 1.00 0.00 H new ATOM 0 HA THR B 36 6.198 -3.010 -6.760 1.00 0.00 H new ATOM 0 HB THR B 36 6.847 -5.754 -6.920 1.00 0.00 H new ATOM 0 HG1 THR B 36 8.428 -5.369 -8.463 1.00 0.00 H new ATOM 0 HG21 THR B 36 5.107 -5.862 -8.675 1.00 0.00 H new ATOM 0 HG22 THR B 36 4.597 -4.925 -7.251 1.00 0.00 H new ATOM 0 HG23 THR B 36 5.093 -4.084 -8.739 1.00 0.00 H new ATOM 1862 N GLU B 37 8.656 -4.509 -5.156 1.00 0.00 N ATOM 1863 CA GLU B 37 9.115 -4.926 -3.836 1.00 0.00 C ATOM 1864 C GLU B 37 9.204 -3.735 -2.889 1.00 0.00 C ATOM 1865 O GLU B 37 9.003 -3.873 -1.683 1.00 0.00 O ATOM 1866 CB GLU B 37 10.476 -5.616 -3.941 1.00 0.00 C ATOM 1867 CG GLU B 37 10.391 -7.133 -3.938 1.00 0.00 C ATOM 1868 CD GLU B 37 11.324 -7.771 -4.950 1.00 0.00 C ATOM 1869 OE1 GLU B 37 11.055 -7.649 -6.164 1.00 0.00 O ATOM 1870 OE2 GLU B 37 12.323 -8.391 -4.528 1.00 0.00 O ATOM 0 H GLU B 37 9.361 -4.579 -5.890 1.00 0.00 H new ATOM 0 HA GLU B 37 8.389 -5.632 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU B 37 10.970 -5.290 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU B 37 11.102 -5.294 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU B 37 10.632 -7.505 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU B 37 9.366 -7.436 -4.152 1.00 0.00 H new ATOM 1877 N ILE B 38 9.512 -2.565 -3.441 1.00 0.00 N ATOM 1878 CA ILE B 38 9.636 -1.351 -2.642 1.00 0.00 C ATOM 1879 C ILE B 38 8.278 -0.695 -2.410 1.00 0.00 C ATOM 1880 O ILE B 38 7.946 -0.332 -1.284 1.00 0.00 O ATOM 1881 CB ILE B 38 10.573 -0.332 -3.321 1.00 0.00 C ATOM 1882 CG1 ILE B 38 12.048 -0.685 -3.093 1.00 0.00 C ATOM 1883 CG2 ILE B 38 10.308 1.077 -2.819 1.00 0.00 C ATOM 1884 CD1 ILE B 38 12.373 -1.028 -1.654 1.00 0.00 C ATOM 0 H ILE B 38 9.680 -2.432 -4.438 1.00 0.00 H new ATOM 0 HA ILE B 38 10.058 -1.648 -1.682 1.00 0.00 H new ATOM 0 HB ILE B 38 10.364 -0.374 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.313 -1.530 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE B 38 12.667 0.156 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.984 1.773 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.277 1.353 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.473 1.117 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.433 -1.267 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE B 38 12.140 -0.176 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE B 38 11.781 -1.888 -1.342 1.00 0.00 H new ATOM 1896 N ILE B 39 7.496 -0.535 -3.473 1.00 0.00 N ATOM 1897 CA ILE B 39 6.186 0.089 -3.345 1.00 0.00 C ATOM 1898 C ILE B 39 5.322 -0.702 -2.380 1.00 0.00 C ATOM 1899 O ILE B 39 4.514 -0.141 -1.640 1.00 0.00 O ATOM 1900 CB ILE B 39 5.455 0.169 -4.696 1.00 0.00 C ATOM 1901 CG1 ILE B 39 5.169 -1.239 -5.211 1.00 0.00 C ATOM 1902 CG2 ILE B 39 6.271 0.960 -5.704 1.00 0.00 C ATOM 1903 CD1 ILE B 39 3.776 -1.729 -4.874 1.00 0.00 C ATOM 0 H ILE B 39 7.743 -0.824 -4.419 1.00 0.00 H new ATOM 0 HA ILE B 39 6.350 1.100 -2.973 1.00 0.00 H new ATOM 0 HB ILE B 39 4.508 0.690 -4.555 1.00 0.00 H new ATOM 0 HG12 ILE B 39 5.301 -1.256 -6.293 1.00 0.00 H new ATOM 0 HG13 ILE B 39 5.901 -1.928 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE B 39 5.735 1.004 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.430 1.971 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE B 39 7.235 0.473 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.639 -2.736 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.647 -1.743 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE B 39 3.038 -1.061 -5.318 1.00 0.00 H new ATOM 1915 N GLU B 40 5.493 -2.017 -2.410 1.00 0.00 N ATOM 1916 CA GLU B 40 4.726 -2.899 -1.556 1.00 0.00 C ATOM 1917 C GLU B 40 5.357 -3.023 -0.179 1.00 0.00 C ATOM 1918 O GLU B 40 4.655 -3.257 0.805 1.00 0.00 O ATOM 1919 CB GLU B 40 4.585 -4.277 -2.199 1.00 0.00 C ATOM 1920 CG GLU B 40 3.181 -4.848 -2.108 1.00 0.00 C ATOM 1921 CD GLU B 40 2.142 -3.941 -2.738 1.00 0.00 C ATOM 1922 OE1 GLU B 40 1.643 -3.035 -2.038 1.00 0.00 O ATOM 1923 OE2 GLU B 40 1.828 -4.135 -3.931 1.00 0.00 O ATOM 0 H GLU B 40 6.159 -2.492 -3.019 1.00 0.00 H new ATOM 0 HA GLU B 40 3.734 -2.463 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.874 -4.211 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU B 40 5.280 -4.966 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU B 40 3.155 -5.820 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU B 40 2.927 -5.013 -1.061 1.00 0.00 H new ATOM 1930 N GLU B 41 6.677 -2.858 -0.089 1.00 0.00 N ATOM 1931 CA GLU B 41 7.329 -2.950 1.211 1.00 0.00 C ATOM 1932 C GLU B 41 7.256 -1.609 1.929 1.00 0.00 C ATOM 1933 O GLU B 41 7.206 -1.549 3.160 1.00 0.00 O ATOM 1934 CB GLU B 41 8.781 -3.423 1.083 1.00 0.00 C ATOM 1935 CG GLU B 41 9.726 -2.378 0.514 1.00 0.00 C ATOM 1936 CD GLU B 41 10.620 -1.759 1.570 1.00 0.00 C ATOM 1937 OE1 GLU B 41 11.328 -2.516 2.266 1.00 0.00 O ATOM 1938 OE2 GLU B 41 10.614 -0.517 1.700 1.00 0.00 O ATOM 0 H GLU B 41 7.297 -2.666 -0.876 1.00 0.00 H new ATOM 0 HA GLU B 41 6.798 -3.696 1.803 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.141 -3.726 2.066 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.809 -4.308 0.447 1.00 0.00 H new ATOM 0 HG2 GLU B 41 10.345 -2.836 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.144 -1.593 0.031 1.00 0.00 H new ATOM 1945 N ALA B 42 7.231 -0.531 1.149 1.00 0.00 N ATOM 1946 CA ALA B 42 7.149 0.811 1.708 1.00 0.00 C ATOM 1947 C ALA B 42 5.724 1.121 2.148 1.00 0.00 C ATOM 1948 O ALA B 42 5.504 1.796 3.153 1.00 0.00 O ATOM 1949 CB ALA B 42 7.629 1.840 0.695 1.00 0.00 C ATOM 0 H ALA B 42 7.266 -0.563 0.130 1.00 0.00 H new ATOM 0 HA ALA B 42 7.797 0.859 2.583 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.561 2.837 1.129 1.00 0.00 H new ATOM 0 HB2 ALA B 42 8.665 1.631 0.427 1.00 0.00 H new ATOM 0 HB3 ALA B 42 7.006 1.790 -0.198 1.00 0.00 H new ATOM 1955 N VAL B 43 4.760 0.620 1.384 1.00 0.00 N ATOM 1956 CA VAL B 43 3.351 0.836 1.688 1.00 0.00 C ATOM 1957 C VAL B 43 2.970 0.206 3.011 1.00 0.00 C ATOM 1958 O VAL B 43 2.553 0.883 3.949 1.00 0.00 O ATOM 1959 CB VAL B 43 2.428 0.241 0.593 1.00 0.00 C ATOM 1960 CG1 VAL B 43 2.799 -1.183 0.261 1.00 0.00 C ATOM 1961 CG2 VAL B 43 0.978 0.291 1.027 1.00 0.00 C ATOM 0 H VAL B 43 4.929 0.060 0.548 1.00 0.00 H new ATOM 0 HA VAL B 43 3.214 1.916 1.735 1.00 0.00 H new ATOM 0 HB VAL B 43 2.563 0.851 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL B 43 2.129 -1.563 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL B 43 3.826 -1.216 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.710 -1.800 1.155 1.00 0.00 H new ATOM 0 HG21 VAL B 43 0.349 -0.131 0.244 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.852 -0.285 1.944 1.00 0.00 H new ATOM 0 HG23 VAL B 43 0.688 1.326 1.207 1.00 0.00 H new ATOM 1971 N VAL B 44 3.105 -1.102 3.060 1.00 0.00 N ATOM 1972 CA VAL B 44 2.769 -1.864 4.241 1.00 0.00 C ATOM 1973 C VAL B 44 3.526 -1.341 5.450 1.00 0.00 C ATOM 1974 O VAL B 44 2.934 -1.053 6.486 1.00 0.00 O ATOM 1975 CB VAL B 44 3.065 -3.357 4.005 1.00 0.00 C ATOM 1976 CG1 VAL B 44 3.684 -4.020 5.231 1.00 0.00 C ATOM 1977 CG2 VAL B 44 1.805 -4.091 3.579 1.00 0.00 C ATOM 0 H VAL B 44 3.450 -1.665 2.283 1.00 0.00 H new ATOM 0 HA VAL B 44 1.704 -1.751 4.443 1.00 0.00 H new ATOM 0 HB VAL B 44 3.797 -3.418 3.200 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.875 -5.072 5.018 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.622 -3.523 5.479 1.00 0.00 H new ATOM 0 HG13 VAL B 44 2.997 -3.940 6.074 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.035 -5.144 3.417 1.00 0.00 H new ATOM 0 HG22 VAL B 44 1.050 -4.000 4.359 1.00 0.00 H new ATOM 0 HG23 VAL B 44 1.426 -3.656 2.654 1.00 0.00 H new ATOM 1987 N MET B 45 4.834 -1.202 5.311 1.00 0.00 N ATOM 1988 CA MET B 45 5.646 -0.695 6.405 1.00 0.00 C ATOM 1989 C MET B 45 5.122 0.657 6.876 1.00 0.00 C ATOM 1990 O MET B 45 5.190 0.974 8.064 1.00 0.00 O ATOM 1991 CB MET B 45 7.110 -0.565 5.990 1.00 0.00 C ATOM 1992 CG MET B 45 7.988 0.023 7.082 1.00 0.00 C ATOM 1993 SD MET B 45 7.908 -0.916 8.620 1.00 0.00 S ATOM 1994 CE MET B 45 9.049 0.009 9.644 1.00 0.00 C ATOM 0 H MET B 45 5.352 -1.430 4.462 1.00 0.00 H new ATOM 0 HA MET B 45 5.581 -1.410 7.225 1.00 0.00 H new ATOM 0 HB2 MET B 45 7.492 -1.548 5.714 1.00 0.00 H new ATOM 0 HB3 MET B 45 7.175 0.063 5.102 1.00 0.00 H new ATOM 0 HG2 MET B 45 9.021 0.056 6.734 1.00 0.00 H new ATOM 0 HG3 MET B 45 7.683 1.052 7.273 1.00 0.00 H new ATOM 0 HE1 MET B 45 9.863 -0.642 9.961 1.00 0.00 H new ATOM 0 HE2 MET B 45 9.454 0.845 9.074 1.00 0.00 H new ATOM 0 HE3 MET B 45 8.525 0.388 10.521 1.00 0.00 H new ATOM 2004 N TRP B 46 4.589 1.452 5.947 1.00 0.00 N ATOM 2005 CA TRP B 46 4.054 2.757 6.307 1.00 0.00 C ATOM 2006 C TRP B 46 2.841 2.595 7.208 1.00 0.00 C ATOM 2007 O TRP B 46 2.813 3.110 8.324 1.00 0.00 O ATOM 2008 CB TRP B 46 3.683 3.561 5.059 1.00 0.00 C ATOM 2009 CG TRP B 46 3.237 4.955 5.374 1.00 0.00 C ATOM 2010 CD1 TRP B 46 2.065 5.547 4.999 1.00 0.00 C ATOM 2011 CD2 TRP B 46 3.957 5.933 6.132 1.00 0.00 C ATOM 2012 NE1 TRP B 46 2.012 6.834 5.479 1.00 0.00 N ATOM 2013 CE2 TRP B 46 3.163 7.094 6.177 1.00 0.00 C ATOM 2014 CE3 TRP B 46 5.196 5.939 6.779 1.00 0.00 C ATOM 2015 CZ2 TRP B 46 3.568 8.249 6.843 1.00 0.00 C ATOM 2016 CZ3 TRP B 46 5.598 7.086 7.438 1.00 0.00 C ATOM 2017 CH2 TRP B 46 4.786 8.226 7.467 1.00 0.00 C ATOM 0 H TRP B 46 4.519 1.217 4.957 1.00 0.00 H new ATOM 0 HA TRP B 46 4.826 3.305 6.846 1.00 0.00 H new ATOM 0 HB2 TRP B 46 4.543 3.603 4.391 1.00 0.00 H new ATOM 0 HB3 TRP B 46 2.888 3.043 4.523 1.00 0.00 H new ATOM 0 HD1 TRP B 46 1.293 5.073 4.411 1.00 0.00 H new ATOM 0 HE1 TRP B 46 1.242 7.488 5.339 1.00 0.00 H new ATOM 0 HE3 TRP B 46 5.828 5.063 6.764 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 2.944 9.130 6.866 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 6.555 7.103 7.939 1.00 0.00 H new ATOM 0 HH2 TRP B 46 5.128 9.105 7.993 1.00 0.00 H new ATOM 2028 N LEU B 47 1.846 1.863 6.725 1.00 0.00 N ATOM 2029 CA LEU B 47 0.640 1.619 7.507 1.00 0.00 C ATOM 2030 C LEU B 47 0.988 0.917 8.803 1.00 0.00 C ATOM 2031 O LEU B 47 0.449 1.213 9.864 1.00 0.00 O ATOM 2032 CB LEU B 47 -0.354 0.736 6.753 1.00 0.00 C ATOM 2033 CG LEU B 47 0.246 -0.312 5.815 1.00 0.00 C ATOM 2034 CD1 LEU B 47 0.332 -1.649 6.530 1.00 0.00 C ATOM 2035 CD2 LEU B 47 -0.589 -0.435 4.548 1.00 0.00 C ATOM 0 H LEU B 47 1.849 1.430 5.801 1.00 0.00 H new ATOM 0 HA LEU B 47 0.187 2.592 7.701 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -0.979 0.223 7.484 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.011 1.381 6.170 1.00 0.00 H new ATOM 0 HG LEU B 47 1.250 0.001 5.529 1.00 0.00 H new ATOM 0 HD11 LEU B 47 0.760 -2.394 5.859 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.964 -1.550 7.412 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.666 -1.965 6.833 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.147 -1.185 3.892 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.604 -0.734 4.809 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -0.614 0.526 4.034 1.00 0.00 H new ATOM 2047 N ILE B 48 1.874 -0.045 8.692 1.00 0.00 N ATOM 2048 CA ILE B 48 2.280 -0.828 9.829 1.00 0.00 C ATOM 2049 C ILE B 48 2.990 0.019 10.870 1.00 0.00 C ATOM 2050 O ILE B 48 2.759 -0.136 12.068 1.00 0.00 O ATOM 2051 CB ILE B 48 3.171 -1.994 9.372 1.00 0.00 C ATOM 2052 CG1 ILE B 48 2.444 -3.301 9.617 1.00 0.00 C ATOM 2053 CG2 ILE B 48 4.521 -1.980 10.071 1.00 0.00 C ATOM 2054 CD1 ILE B 48 1.123 -3.409 8.880 1.00 0.00 C ATOM 0 H ILE B 48 2.329 -0.303 7.817 1.00 0.00 H new ATOM 0 HA ILE B 48 1.383 -1.230 10.300 1.00 0.00 H new ATOM 0 HB ILE B 48 3.370 -1.884 8.306 1.00 0.00 H new ATOM 0 HG12 ILE B 48 3.088 -4.127 9.315 1.00 0.00 H new ATOM 0 HG13 ILE B 48 2.264 -3.412 10.686 1.00 0.00 H new ATOM 0 HG21 ILE B 48 5.121 -2.820 9.721 1.00 0.00 H new ATOM 0 HG22 ILE B 48 5.037 -1.047 9.847 1.00 0.00 H new ATOM 0 HG23 ILE B 48 4.374 -2.063 11.148 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.660 -4.370 9.103 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.461 -2.604 9.200 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.298 -3.331 7.807 1.00 0.00 H new ATOM 2066 N GLN B 49 3.858 0.908 10.417 1.00 0.00 N ATOM 2067 CA GLN B 49 4.586 1.755 11.338 1.00 0.00 C ATOM 2068 C GLN B 49 3.754 2.972 11.737 1.00 0.00 C ATOM 2069 O GLN B 49 3.916 3.513 12.830 1.00 0.00 O ATOM 2070 CB GLN B 49 5.918 2.197 10.724 1.00 0.00 C ATOM 2071 CG GLN B 49 5.790 3.341 9.726 1.00 0.00 C ATOM 2072 CD GLN B 49 7.122 3.738 9.120 1.00 0.00 C ATOM 2073 OE1 GLN B 49 7.922 4.430 9.749 1.00 0.00 O ATOM 2074 NE2 GLN B 49 7.365 3.302 7.889 1.00 0.00 N ATOM 0 H GLN B 49 4.072 1.059 9.431 1.00 0.00 H new ATOM 0 HA GLN B 49 4.793 1.175 12.237 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.593 2.500 11.525 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.378 1.343 10.226 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.105 3.049 8.930 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.350 4.205 10.224 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.673 2.730 7.405 1.00 0.00 H new ATOM 0 HE22 GLN B 49 8.244 3.539 7.428 1.00 0.00 H new ATOM 2083 N ASN B 50 2.881 3.412 10.833 1.00 0.00 N ATOM 2084 CA ASN B 50 2.043 4.582 11.089 1.00 0.00 C ATOM 2085 C ASN B 50 0.641 4.203 11.556 1.00 0.00 C ATOM 2086 O ASN B 50 0.214 4.572 12.650 1.00 0.00 O ATOM 2087 CB ASN B 50 1.950 5.445 9.828 1.00 0.00 C ATOM 2088 CG ASN B 50 1.673 6.902 10.143 1.00 0.00 C ATOM 2089 OD1 ASN B 50 2.596 7.702 10.297 1.00 0.00 O ATOM 2090 ND2 ASN B 50 0.396 7.254 10.241 1.00 0.00 N ATOM 0 H ASN B 50 2.736 2.979 9.921 1.00 0.00 H new ATOM 0 HA ASN B 50 2.515 5.146 11.894 1.00 0.00 H new ATOM 0 HB2 ASN B 50 2.883 5.368 9.269 1.00 0.00 H new ATOM 0 HB3 ASN B 50 1.160 5.059 9.184 1.00 0.00 H new ATOM 0 HD21 ASN B 50 0.148 8.221 10.452 1.00 0.00 H new ATOM 0 HD22 ASN B 50 -0.337 6.558 10.106 1.00 0.00 H new ATOM 2097 N LYS B 51 -0.071 3.483 10.703 1.00 0.00 N ATOM 2098 CA LYS B 51 -1.440 3.062 10.992 1.00 0.00 C ATOM 2099 C LYS B 51 -1.519 2.200 12.248 1.00 0.00 C ATOM 2100 O LYS B 51 -2.284 2.501 13.165 1.00 0.00 O ATOM 2101 CB LYS B 51 -2.021 2.303 9.797 1.00 0.00 C ATOM 2102 CG LYS B 51 -3.189 3.015 9.138 1.00 0.00 C ATOM 2103 CD LYS B 51 -2.814 4.417 8.678 1.00 0.00 C ATOM 2104 CE LYS B 51 -1.502 4.444 7.906 1.00 0.00 C ATOM 2105 NZ LYS B 51 -1.179 5.809 7.404 1.00 0.00 N ATOM 0 H LYS B 51 0.278 3.174 9.796 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.028 3.962 11.173 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.235 2.149 9.057 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.346 1.316 10.127 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.533 2.433 8.283 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.021 3.074 9.840 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.610 4.815 8.049 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.735 5.072 9.546 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -0.695 4.094 8.550 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -1.562 3.753 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -1.178 5.805 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -1.893 6.483 7.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.240 6.093 7.750 1.00 0.00 H new ATOM 2119 N GLU B 52 -0.735 1.124 12.289 1.00 0.00 N ATOM 2120 CA GLU B 52 -0.732 0.223 13.441 1.00 0.00 C ATOM 2121 C GLU B 52 -0.665 1.011 14.748 1.00 0.00 C ATOM 2122 O GLU B 52 -1.177 0.576 15.778 1.00 0.00 O ATOM 2123 CB GLU B 52 0.447 -0.748 13.356 1.00 0.00 C ATOM 2124 CG GLU B 52 0.173 -2.095 14.006 1.00 0.00 C ATOM 2125 CD GLU B 52 0.328 -3.253 13.039 1.00 0.00 C ATOM 2126 OE1 GLU B 52 1.240 -4.082 13.246 1.00 0.00 O ATOM 2127 OE2 GLU B 52 -0.462 -3.331 12.075 1.00 0.00 O ATOM 0 H GLU B 52 -0.096 0.855 11.541 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.662 -0.346 13.427 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.703 -0.905 12.308 1.00 0.00 H new ATOM 0 HB3 GLU B 52 1.316 -0.294 13.832 1.00 0.00 H new ATOM 0 HG2 GLU B 52 0.854 -2.234 14.845 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -0.838 -2.099 14.412 1.00 0.00 H new ATOM 2134 N LYS B 53 -0.034 2.179 14.687 1.00 0.00 N ATOM 2135 CA LYS B 53 0.101 3.045 15.850 1.00 0.00 C ATOM 2136 C LYS B 53 -0.511 4.414 15.570 1.00 0.00 C ATOM 2137 O LYS B 53 -0.070 5.423 16.118 1.00 0.00 O ATOM 2138 CB LYS B 53 1.573 3.196 16.237 1.00 0.00 C ATOM 2139 CG LYS B 53 2.448 3.720 15.110 1.00 0.00 C ATOM 2140 CD LYS B 53 3.067 5.069 15.454 1.00 0.00 C ATOM 2141 CE LYS B 53 2.495 6.184 14.591 1.00 0.00 C ATOM 2142 NZ LYS B 53 3.555 7.109 14.105 1.00 0.00 N ATOM 0 H LYS B 53 0.394 2.548 13.838 1.00 0.00 H new ATOM 0 HA LYS B 53 -0.434 2.587 16.682 1.00 0.00 H new ATOM 0 HB2 LYS B 53 1.649 3.872 17.089 1.00 0.00 H new ATOM 0 HB3 LYS B 53 1.955 2.229 16.563 1.00 0.00 H new ATOM 0 HG2 LYS B 53 3.239 3.000 14.900 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.853 3.814 14.202 1.00 0.00 H new ATOM 0 HD2 LYS B 53 2.889 5.294 16.506 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.147 5.020 15.317 1.00 0.00 H new ATOM 0 HE2 LYS B 53 1.972 5.751 13.738 1.00 0.00 H new ATOM 0 HE3 LYS B 53 1.758 6.746 15.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 3.124 7.854 13.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 4.038 7.542 14.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 4.245 6.578 13.536 1.00 0.00 H new ATOM 2156 N LEU B 54 -1.524 4.438 14.702 1.00 0.00 N ATOM 2157 CA LEU B 54 -2.196 5.682 14.328 1.00 0.00 C ATOM 2158 C LEU B 54 -2.677 6.439 15.565 1.00 0.00 C ATOM 2159 O LEU B 54 -3.706 6.098 16.150 1.00 0.00 O ATOM 2160 CB LEU B 54 -3.387 5.381 13.417 1.00 0.00 C ATOM 2161 CG LEU B 54 -4.004 6.603 12.732 1.00 0.00 C ATOM 2162 CD1 LEU B 54 -3.684 6.602 11.245 1.00 0.00 C ATOM 2163 CD2 LEU B 54 -5.510 6.639 12.952 1.00 0.00 C ATOM 0 H LEU B 54 -1.897 3.607 14.244 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.478 6.307 13.796 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.069 4.675 12.650 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.159 4.885 14.006 1.00 0.00 H new ATOM 0 HG LEU B 54 -3.570 7.498 13.177 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -4.131 7.478 10.776 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -2.603 6.628 11.105 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -4.088 5.699 10.787 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -5.929 7.515 12.457 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -5.960 5.737 12.536 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -5.721 6.690 14.020 1.00 0.00 H new ATOM 2175 N PRO B 55 -1.934 7.481 15.982 1.00 0.00 N ATOM 2176 CA PRO B 55 -2.278 8.288 17.151 1.00 0.00 C ATOM 2177 C PRO B 55 -3.367 9.312 16.848 1.00 0.00 C ATOM 2178 O PRO B 55 -3.633 9.625 15.688 1.00 0.00 O ATOM 2179 CB PRO B 55 -0.962 9.003 17.508 1.00 0.00 C ATOM 2180 CG PRO B 55 0.059 8.522 16.523 1.00 0.00 C ATOM 2181 CD PRO B 55 -0.700 7.962 15.356 1.00 0.00 C ATOM 0 HA PRO B 55 -2.674 7.673 17.959 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -1.079 10.085 17.449 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -0.658 8.770 18.528 1.00 0.00 H new ATOM 0 HG2 PRO B 55 0.707 9.339 16.207 1.00 0.00 H new ATOM 0 HG3 PRO B 55 0.699 7.761 16.969 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -0.898 8.721 14.599 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -0.153 7.157 14.865 1.00 0.00 H new ATOM 2189 N ASN B 56 -3.983 9.841 17.900 1.00 0.00 N ATOM 2190 CA ASN B 56 -5.032 10.840 17.745 1.00 0.00 C ATOM 2191 C ASN B 56 -4.431 12.193 17.377 1.00 0.00 C ATOM 2192 O ASN B 56 -5.067 13.006 16.707 1.00 0.00 O ATOM 2193 CB ASN B 56 -5.845 10.963 19.035 1.00 0.00 C ATOM 2194 CG ASN B 56 -6.348 9.622 19.533 1.00 0.00 C ATOM 2195 OD1 ASN B 56 -6.785 8.781 18.748 1.00 0.00 O ATOM 2196 ND2 ASN B 56 -6.290 9.417 20.844 1.00 0.00 N ATOM 0 H ASN B 56 -3.774 9.594 18.867 1.00 0.00 H new ATOM 0 HA ASN B 56 -5.694 10.520 16.940 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -5.229 11.426 19.806 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -6.694 11.625 18.864 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -6.616 8.534 21.237 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -5.920 10.143 21.458 1.00 0.00 H new ATOM 2203 N GLU B 57 -3.197 12.424 17.818 1.00 0.00 N ATOM 2204 CA GLU B 57 -2.502 13.675 17.536 1.00 0.00 C ATOM 2205 C GLU B 57 -1.993 13.704 16.096 1.00 0.00 C ATOM 2206 O GLU B 57 -1.772 14.774 15.529 1.00 0.00 O ATOM 2207 CB GLU B 57 -1.335 13.864 18.505 1.00 0.00 C ATOM 2208 CG GLU B 57 -0.319 12.734 18.462 1.00 0.00 C ATOM 2209 CD GLU B 57 -0.299 11.916 19.740 1.00 0.00 C ATOM 2210 OE1 GLU B 57 -1.069 10.937 19.829 1.00 0.00 O ATOM 2211 OE2 GLU B 57 0.485 12.257 20.651 1.00 0.00 O ATOM 0 H GLU B 57 -2.658 11.759 18.373 1.00 0.00 H new ATOM 0 HA GLU B 57 -3.211 14.492 17.668 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -0.831 14.803 18.275 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.726 13.952 19.519 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -0.545 12.080 17.620 1.00 0.00 H new ATOM 0 HG3 GLU B 57 0.673 13.149 18.286 1.00 0.00 H new ATOM 2218 N LEU B 58 -1.808 12.523 15.512 1.00 0.00 N ATOM 2219 CA LEU B 58 -1.327 12.415 14.138 1.00 0.00 C ATOM 2220 C LEU B 58 -2.484 12.476 13.146 1.00 0.00 C ATOM 2221 O LEU B 58 -2.276 12.739 11.962 1.00 0.00 O ATOM 2222 CB LEU B 58 -0.551 11.111 13.946 1.00 0.00 C ATOM 2223 CG LEU B 58 0.918 11.280 13.554 1.00 0.00 C ATOM 2224 CD1 LEU B 58 1.804 11.265 14.790 1.00 0.00 C ATOM 2225 CD2 LEU B 58 1.340 10.189 12.581 1.00 0.00 C ATOM 0 H LEU B 58 -1.984 11.628 15.969 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.663 13.259 13.949 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.600 10.538 14.872 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -1.050 10.520 13.178 1.00 0.00 H new ATOM 0 HG LEU B 58 1.034 12.244 13.059 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.846 11.386 14.493 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.518 12.082 15.452 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.684 10.316 15.312 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.388 10.326 12.313 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.209 9.213 13.049 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.726 10.245 11.682 1.00 0.00 H new ATOM 2237 N LYS B 59 -3.701 12.225 13.633 1.00 0.00 N ATOM 2238 CA LYS B 59 -4.895 12.246 12.788 1.00 0.00 C ATOM 2239 C LYS B 59 -4.840 13.389 11.774 1.00 0.00 C ATOM 2240 O LYS B 59 -5.066 13.181 10.582 1.00 0.00 O ATOM 2241 CB LYS B 59 -6.152 12.372 13.651 1.00 0.00 C ATOM 2242 CG LYS B 59 -7.270 11.430 13.236 1.00 0.00 C ATOM 2243 CD LYS B 59 -8.638 12.019 13.539 1.00 0.00 C ATOM 2244 CE LYS B 59 -8.939 13.213 12.647 1.00 0.00 C ATOM 2245 NZ LYS B 59 -9.781 12.835 11.479 1.00 0.00 N ATOM 0 H LYS B 59 -3.885 12.004 14.612 1.00 0.00 H new ATOM 0 HA LYS B 59 -4.930 11.306 12.237 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -5.890 12.176 14.691 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.516 13.398 13.602 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -7.192 11.219 12.169 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -7.159 10.480 13.758 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.403 11.256 13.398 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.681 12.324 14.585 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -9.449 13.981 13.228 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -8.004 13.648 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -9.964 13.677 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -9.284 12.120 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -10.684 12.444 11.814 1.00 0.00 H new ATOM 2259 N PRO B 60 -4.533 14.615 12.232 1.00 0.00 N ATOM 2260 CA PRO B 60 -4.444 15.783 11.357 1.00 0.00 C ATOM 2261 C PRO B 60 -3.254 15.696 10.409 1.00 0.00 C ATOM 2262 O PRO B 60 -3.299 16.212 9.292 1.00 0.00 O ATOM 2263 CB PRO B 60 -4.273 16.966 12.324 1.00 0.00 C ATOM 2264 CG PRO B 60 -4.582 16.423 13.681 1.00 0.00 C ATOM 2265 CD PRO B 60 -4.247 14.961 13.630 1.00 0.00 C ATOM 0 HA PRO B 60 -5.322 15.874 10.718 1.00 0.00 H new ATOM 0 HB2 PRO B 60 -3.259 17.363 12.282 1.00 0.00 H new ATOM 0 HB3 PRO B 60 -4.946 17.784 12.066 1.00 0.00 H new ATOM 0 HG2 PRO B 60 -3.996 16.931 14.447 1.00 0.00 H new ATOM 0 HG3 PRO B 60 -5.632 16.574 13.931 1.00 0.00 H new ATOM 0 HD2 PRO B 60 -3.205 14.775 13.888 1.00 0.00 H new ATOM 0 HD3 PRO B 60 -4.856 14.381 14.324 1.00 0.00 H new ATOM 2273 N LYS B 61 -2.192 15.036 10.859 1.00 0.00 N ATOM 2274 CA LYS B 61 -0.997 14.882 10.041 1.00 0.00 C ATOM 2275 C LYS B 61 -1.282 14.000 8.832 1.00 0.00 C ATOM 2276 O LYS B 61 -0.621 14.118 7.801 1.00 0.00 O ATOM 2277 CB LYS B 61 0.157 14.298 10.856 1.00 0.00 C ATOM 2278 CG LYS B 61 1.518 14.529 10.217 1.00 0.00 C ATOM 2279 CD LYS B 61 1.940 13.347 9.362 1.00 0.00 C ATOM 2280 CE LYS B 61 2.794 12.366 10.150 1.00 0.00 C ATOM 2281 NZ LYS B 61 4.242 12.707 10.083 1.00 0.00 N ATOM 0 H LYS B 61 -2.135 14.602 11.780 1.00 0.00 H new ATOM 0 HA LYS B 61 -0.704 15.872 9.692 1.00 0.00 H new ATOM 0 HB2 LYS B 61 0.150 14.741 11.852 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -0.001 13.227 10.982 1.00 0.00 H new ATOM 0 HG2 LYS B 61 1.485 15.429 9.604 1.00 0.00 H new ATOM 0 HG3 LYS B 61 2.262 14.700 10.995 1.00 0.00 H new ATOM 0 HD2 LYS B 61 1.055 12.837 8.982 1.00 0.00 H new ATOM 0 HD3 LYS B 61 2.498 13.704 8.496 1.00 0.00 H new ATOM 0 HE2 LYS B 61 2.471 12.359 11.191 1.00 0.00 H new ATOM 0 HE3 LYS B 61 2.640 11.359 9.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 4.788 12.013 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 4.558 12.688 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 4.393 13.658 10.477 1.00 0.00 H new ATOM 2295 N ILE B 62 -2.279 13.125 8.949 1.00 0.00 N ATOM 2296 CA ILE B 62 -2.642 12.253 7.839 1.00 0.00 C ATOM 2297 C ILE B 62 -2.907 13.100 6.598 1.00 0.00 C ATOM 2298 O ILE B 62 -2.634 12.682 5.471 1.00 0.00 O ATOM 2299 CB ILE B 62 -3.873 11.375 8.179 1.00 0.00 C ATOM 2300 CG1 ILE B 62 -3.426 10.111 8.918 1.00 0.00 C ATOM 2301 CG2 ILE B 62 -4.656 11.003 6.925 1.00 0.00 C ATOM 2302 CD1 ILE B 62 -2.502 10.389 10.084 1.00 0.00 C ATOM 0 H ILE B 62 -2.842 13.003 9.791 1.00 0.00 H new ATOM 0 HA ILE B 62 -1.811 11.575 7.645 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.533 11.955 8.824 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -4.307 9.581 9.281 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -2.922 9.448 8.215 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.512 10.387 7.200 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.005 11.910 6.431 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -4.011 10.445 6.246 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.225 9.449 10.561 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.604 10.892 9.725 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.010 11.027 10.807 1.00 0.00 H new ATOM 2314 N ASP B 63 -3.393 14.319 6.823 1.00 0.00 N ATOM 2315 CA ASP B 63 -3.639 15.247 5.739 1.00 0.00 C ATOM 2316 C ASP B 63 -2.295 15.688 5.191 1.00 0.00 C ATOM 2317 O ASP B 63 -2.102 15.795 3.982 1.00 0.00 O ATOM 2318 CB ASP B 63 -4.443 16.453 6.231 1.00 0.00 C ATOM 2319 CG ASP B 63 -5.736 16.638 5.462 1.00 0.00 C ATOM 2320 OD1 ASP B 63 -6.078 17.796 5.144 1.00 0.00 O ATOM 2321 OD2 ASP B 63 -6.407 15.623 5.175 1.00 0.00 O ATOM 0 H ASP B 63 -3.622 14.680 7.749 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.225 14.764 4.957 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.668 16.329 7.290 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -3.836 17.353 6.138 1.00 0.00 H new ATOM 2326 N GLU B 64 -1.351 15.899 6.111 1.00 0.00 N ATOM 2327 CA GLU B 64 0.002 16.285 5.751 1.00 0.00 C ATOM 2328 C GLU B 64 0.602 15.224 4.839 1.00 0.00 C ATOM 2329 O GLU B 64 1.238 15.535 3.835 1.00 0.00 O ATOM 2330 CB GLU B 64 0.862 16.458 7.006 1.00 0.00 C ATOM 2331 CG GLU B 64 1.266 17.898 7.274 1.00 0.00 C ATOM 2332 CD GLU B 64 2.366 18.011 8.311 1.00 0.00 C ATOM 2333 OE1 GLU B 64 2.054 17.929 9.518 1.00 0.00 O ATOM 2334 OE2 GLU B 64 3.539 18.179 7.917 1.00 0.00 O ATOM 0 H GLU B 64 -1.507 15.807 7.115 1.00 0.00 H new ATOM 0 HA GLU B 64 -0.025 17.239 5.225 1.00 0.00 H new ATOM 0 HB2 GLU B 64 0.313 16.077 7.867 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.761 15.850 6.907 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.600 18.357 6.344 1.00 0.00 H new ATOM 0 HG3 GLU B 64 0.395 18.459 7.611 1.00 0.00 H new ATOM 2341 N ILE B 65 0.363 13.964 5.191 1.00 0.00 N ATOM 2342 CA ILE B 65 0.849 12.840 4.404 1.00 0.00 C ATOM 2343 C ILE B 65 0.288 12.904 2.991 1.00 0.00 C ATOM 2344 O ILE B 65 0.967 12.560 2.025 1.00 0.00 O ATOM 2345 CB ILE B 65 0.441 11.495 5.041 1.00 0.00 C ATOM 2346 CG1 ILE B 65 0.816 11.471 6.524 1.00 0.00 C ATOM 2347 CG2 ILE B 65 1.099 10.337 4.303 1.00 0.00 C ATOM 2348 CD1 ILE B 65 2.248 11.879 6.783 1.00 0.00 C ATOM 0 H ILE B 65 -0.167 13.697 6.021 1.00 0.00 H new ATOM 0 HA ILE B 65 1.937 12.905 4.376 1.00 0.00 H new ATOM 0 HB ILE B 65 -0.640 11.385 4.958 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.150 12.138 7.071 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.654 10.467 6.917 1.00 0.00 H new ATOM 0 HG21 ILE B 65 0.801 9.395 4.764 1.00 0.00 H new ATOM 0 HG22 ILE B 65 0.785 10.345 3.259 1.00 0.00 H new ATOM 0 HG23 ILE B 65 2.183 10.440 4.356 1.00 0.00 H new ATOM 0 HD11 ILE B 65 2.449 11.841 7.854 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.920 11.197 6.263 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.409 12.894 6.420 1.00 0.00 H new ATOM 2360 N SER B 66 -0.960 13.348 2.884 1.00 0.00 N ATOM 2361 CA SER B 66 -1.627 13.462 1.593 1.00 0.00 C ATOM 2362 C SER B 66 -1.175 14.715 0.847 1.00 0.00 C ATOM 2363 O SER B 66 -0.726 14.636 -0.297 1.00 0.00 O ATOM 2364 CB SER B 66 -3.144 13.488 1.783 1.00 0.00 C ATOM 2365 OG SER B 66 -3.814 13.550 0.536 1.00 0.00 O ATOM 0 H SER B 66 -1.531 13.635 3.679 1.00 0.00 H new ATOM 0 HA SER B 66 -1.354 12.592 0.996 1.00 0.00 H new ATOM 0 HB2 SER B 66 -3.461 12.597 2.325 1.00 0.00 H new ATOM 0 HB3 SER B 66 -3.423 14.348 2.392 1.00 0.00 H new ATOM 0 HG SER B 66 -4.477 14.271 0.557 1.00 0.00 H new