USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=28 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= -1.45 K(o=-3.8,f=-8.8!) USER MOD Set 1.2: B 51 LYS NZ :NH3+ -176:sc= -2.34 (180deg=-0.82) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.00522 K(o=-5.6,f=-10!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 2.3: B 45 MET CE :methyl -118:sc= -3.64 (180deg=-4.96!) USER MOD Set 2.4: B 49 GLN : amide:sc= -1.94 K(o=-5.6,f=-18!) USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= -0.996 F(o=-6.3!,f=-4.4) USER MOD Set 3.2: A 51 LYS NZ :NH3+ -174:sc= -3.39! (180deg=-3.61!) USER MOD Set 4.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 28 SER OG : rot -54:sc= 0.271 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0562 (180deg=-0.351) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= -0.0448 (180deg=-0.0709) USER MOD Single : A 12 THR OG1 : rot 162:sc= -0.547 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=-0.0097) USER MOD Single : A 23 THR OG1 : rot -99:sc= -0.134 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.71 K(o=0.71,f=-0.0011) USER MOD Single : A 35 MET CE :methyl 176:sc= 0 (180deg=-0.0289) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 45 MET CE :methyl -119:sc= -2.08 (180deg=-5.27!) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= -0.624 (180deg=-2.12!) USER MOD Single : A 56 ASN : amide:sc= -0.0543 K(o=-0.054,f=-0.62) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 69:sc= 0.998 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot -130:sc= 0.846 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=-0.0016) USER MOD Single : B 23 THR OG1 : rot -67:sc= 0.0868 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -63:sc= 0.0225 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.5!) USER MOD Single : B 35 MET CE :methyl 175:sc= -1.07 (180deg=-1.15) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : B 53 LYS NZ :NH3+ -151:sc= -0.652 (180deg=-1.78) USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=0) 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 50:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 9 2.055 10.397 -14.751 1.00 0.00 N ATOM 136 CA LYS A 9 1.710 9.122 -14.135 1.00 0.00 C ATOM 137 C LYS A 9 1.519 8.044 -15.194 1.00 0.00 C ATOM 138 O LYS A 9 0.986 8.310 -16.270 1.00 0.00 O ATOM 139 CB LYS A 9 0.438 9.268 -13.313 1.00 0.00 C ATOM 140 CG LYS A 9 -0.729 9.702 -14.152 1.00 0.00 C ATOM 141 CD LYS A 9 -1.743 10.497 -13.347 1.00 0.00 C ATOM 142 CE LYS A 9 -1.231 11.892 -13.027 1.00 0.00 C ATOM 143 NZ LYS A 9 -1.053 12.715 -14.254 1.00 0.00 N ATOM 0 HA LYS A 9 2.530 8.824 -13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.206 8.317 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.602 9.995 -12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.372 10.308 -14.985 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.214 8.825 -14.581 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.676 10.570 -13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.967 9.969 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.930 12.390 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.280 11.817 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.003 13.721 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.173 12.437 -14.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.859 12.563 -14.894 1.00 0.00 H new ATOM 157 N LYS A 10 1.948 6.822 -14.887 1.00 0.00 N ATOM 158 CA LYS A 10 1.805 5.718 -15.824 1.00 0.00 C ATOM 159 C LYS A 10 1.117 4.541 -15.147 1.00 0.00 C ATOM 160 O LYS A 10 1.467 4.173 -14.030 1.00 0.00 O ATOM 161 CB LYS A 10 3.174 5.292 -16.361 1.00 0.00 C ATOM 162 CG LYS A 10 3.951 6.421 -17.017 1.00 0.00 C ATOM 163 CD LYS A 10 5.396 6.451 -16.543 1.00 0.00 C ATOM 164 CE LYS A 10 6.336 6.903 -17.648 1.00 0.00 C ATOM 165 NZ LYS A 10 6.503 8.383 -17.666 1.00 0.00 N ATOM 0 H LYS A 10 2.394 6.575 -14.003 1.00 0.00 H new ATOM 0 HA LYS A 10 1.192 6.050 -16.662 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.765 4.884 -15.541 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.037 4.489 -17.085 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.925 6.301 -18.100 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.472 7.374 -16.790 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.486 7.123 -15.690 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.688 5.459 -16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.309 6.430 -17.513 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.950 6.570 -18.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.151 8.650 -18.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.579 8.835 -17.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.895 8.699 -16.756 1.00 0.00 H new ATOM 179 N LYS A 11 0.136 3.945 -15.812 1.00 0.00 N ATOM 180 CA LYS A 11 -0.566 2.815 -15.222 1.00 0.00 C ATOM 181 C LYS A 11 0.403 1.667 -14.998 1.00 0.00 C ATOM 182 O LYS A 11 0.849 1.020 -15.946 1.00 0.00 O ATOM 183 CB LYS A 11 -1.721 2.364 -16.116 1.00 0.00 C ATOM 184 CG LYS A 11 -2.794 3.424 -16.309 1.00 0.00 C ATOM 185 CD LYS A 11 -2.474 4.337 -17.484 1.00 0.00 C ATOM 186 CE LYS A 11 -2.173 5.755 -17.024 1.00 0.00 C ATOM 187 NZ LYS A 11 -3.383 6.431 -16.481 1.00 0.00 N ATOM 0 H LYS A 11 -0.186 4.218 -16.740 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.981 3.127 -14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.325 2.079 -17.091 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.177 1.473 -15.684 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.757 2.942 -16.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.887 4.019 -15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.618 3.941 -18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.316 4.349 -18.176 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.396 5.732 -16.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.779 6.332 -17.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.105 7.082 -15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.851 6.966 -17.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.040 5.718 -16.104 1.00 0.00 H new ATOM 201 N THR A 12 0.741 1.430 -13.737 1.00 0.00 N ATOM 202 CA THR A 12 1.674 0.373 -13.390 1.00 0.00 C ATOM 203 C THR A 12 0.975 -0.770 -12.666 1.00 0.00 C ATOM 204 O THR A 12 0.012 -0.553 -11.932 1.00 0.00 O ATOM 205 CB THR A 12 2.807 0.926 -12.525 1.00 0.00 C ATOM 206 OG1 THR A 12 3.102 2.265 -12.879 1.00 0.00 O ATOM 207 CG2 THR A 12 4.089 0.128 -12.637 1.00 0.00 C ATOM 0 H THR A 12 0.382 1.956 -12.940 1.00 0.00 H new ATOM 0 HA THR A 12 2.091 -0.019 -14.318 1.00 0.00 H new ATOM 0 HB THR A 12 2.445 0.860 -11.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.608 2.691 -12.156 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.852 0.574 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.907 -0.899 -12.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.433 0.135 -13.671 1.00 0.00 H new ATOM 215 N THR A 13 1.465 -1.991 -12.874 1.00 0.00 N ATOM 216 CA THR A 13 0.877 -3.161 -12.232 1.00 0.00 C ATOM 217 C THR A 13 1.774 -3.712 -11.135 1.00 0.00 C ATOM 218 O THR A 13 3.001 -3.685 -11.235 1.00 0.00 O ATOM 219 CB THR A 13 0.597 -4.271 -13.244 1.00 0.00 C ATOM 220 OG1 THR A 13 0.453 -3.745 -14.551 1.00 0.00 O ATOM 221 CG2 THR A 13 -0.650 -5.061 -12.918 1.00 0.00 C ATOM 0 H THR A 13 2.262 -2.193 -13.478 1.00 0.00 H new ATOM 0 HA THR A 13 -0.062 -2.829 -11.790 1.00 0.00 H new ATOM 0 HB THR A 13 1.458 -4.937 -13.192 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.276 -4.475 -15.180 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.798 -5.835 -13.671 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.541 -5.525 -11.938 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.512 -4.394 -12.910 1.00 0.00 H new ATOM 229 N LEU A 14 1.136 -4.234 -10.102 1.00 0.00 N ATOM 230 CA LEU A 14 1.829 -4.830 -8.974 1.00 0.00 C ATOM 231 C LEU A 14 1.029 -6.026 -8.488 1.00 0.00 C ATOM 232 O LEU A 14 -0.173 -5.911 -8.257 1.00 0.00 O ATOM 233 CB LEU A 14 1.996 -3.812 -7.843 1.00 0.00 C ATOM 234 CG LEU A 14 2.341 -2.389 -8.289 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.772 -1.377 -7.310 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.848 -2.216 -8.426 1.00 0.00 C ATOM 0 H LEU A 14 0.119 -4.256 -10.022 1.00 0.00 H new ATOM 0 HA LEU A 14 2.823 -5.150 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.072 -3.780 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.779 -4.165 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 14 1.891 -2.216 -9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.025 -0.369 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.688 -1.483 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.194 -1.551 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.070 -1.197 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.325 -2.408 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.229 -2.918 -9.167 1.00 0.00 H new ATOM 248 N ALA A 15 1.672 -7.177 -8.350 1.00 0.00 N ATOM 249 CA ALA A 15 0.954 -8.365 -7.917 1.00 0.00 C ATOM 250 C ALA A 15 0.895 -8.459 -6.407 1.00 0.00 C ATOM 251 O ALA A 15 1.784 -9.016 -5.765 1.00 0.00 O ATOM 252 CB ALA A 15 1.602 -9.609 -8.501 1.00 0.00 C ATOM 0 H ALA A 15 2.667 -7.312 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.070 -8.291 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.056 -10.493 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.579 -9.554 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.636 -9.673 -8.163 1.00 0.00 H new ATOM 258 N PHE A 16 -0.196 -7.938 -5.865 1.00 0.00 N ATOM 259 CA PHE A 16 -0.458 -7.969 -4.443 1.00 0.00 C ATOM 260 C PHE A 16 -1.920 -7.721 -4.183 1.00 0.00 C ATOM 261 O PHE A 16 -2.680 -7.392 -5.089 1.00 0.00 O ATOM 262 CB PHE A 16 0.369 -6.946 -3.680 1.00 0.00 C ATOM 263 CG PHE A 16 1.849 -7.083 -3.893 1.00 0.00 C ATOM 264 CD1 PHE A 16 2.538 -6.172 -4.676 1.00 0.00 C ATOM 265 CD2 PHE A 16 2.551 -8.126 -3.309 1.00 0.00 C ATOM 266 CE1 PHE A 16 3.901 -6.298 -4.873 1.00 0.00 C ATOM 267 CE2 PHE A 16 3.913 -8.257 -3.502 1.00 0.00 C ATOM 268 CZ PHE A 16 4.589 -7.342 -4.285 1.00 0.00 C ATOM 0 H PHE A 16 -0.927 -7.479 -6.409 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.174 -8.959 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.059 -5.945 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.154 -7.040 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.005 -5.354 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.027 -8.845 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.427 -5.581 -5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.448 -9.074 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.653 -7.442 -4.437 1.00 0.00 H new ATOM 278 N ASP A 17 -2.294 -7.854 -2.933 1.00 0.00 N ATOM 279 CA ASP A 17 -3.655 -7.624 -2.495 1.00 0.00 C ATOM 280 C ASP A 17 -3.905 -8.406 -1.246 1.00 0.00 C ATOM 281 O ASP A 17 -4.550 -7.932 -0.316 1.00 0.00 O ATOM 282 CB ASP A 17 -4.683 -8.008 -3.549 1.00 0.00 C ATOM 283 CG ASP A 17 -5.193 -6.808 -4.325 1.00 0.00 C ATOM 284 OD1 ASP A 17 -6.325 -6.875 -4.848 1.00 0.00 O ATOM 285 OD2 ASP A 17 -4.460 -5.800 -4.408 1.00 0.00 O ATOM 0 H ASP A 17 -1.659 -8.127 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.766 -6.555 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.239 -8.723 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.523 -8.509 -3.068 1.00 0.00 H new ATOM 290 N GLU A 18 -3.377 -9.609 -1.212 1.00 0.00 N ATOM 291 CA GLU A 18 -3.550 -10.432 -0.045 1.00 0.00 C ATOM 292 C GLU A 18 -3.259 -9.602 1.203 1.00 0.00 C ATOM 293 O GLU A 18 -4.140 -9.356 2.033 1.00 0.00 O ATOM 294 CB GLU A 18 -2.632 -11.654 -0.095 1.00 0.00 C ATOM 295 CG GLU A 18 -3.028 -12.750 0.882 1.00 0.00 C ATOM 296 CD GLU A 18 -2.780 -12.361 2.326 1.00 0.00 C ATOM 297 OE1 GLU A 18 -3.755 -12.003 3.019 1.00 0.00 O ATOM 298 OE2 GLU A 18 -1.611 -12.413 2.763 1.00 0.00 O ATOM 0 H GLU A 18 -2.834 -10.030 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.579 -10.790 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.636 -12.061 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.610 -11.340 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.084 -12.986 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.468 -13.656 0.652 1.00 0.00 H new ATOM 305 N ASP A 19 -2.017 -9.135 1.305 1.00 0.00 N ATOM 306 CA ASP A 19 -1.605 -8.311 2.432 1.00 0.00 C ATOM 307 C ASP A 19 -1.914 -6.839 2.193 1.00 0.00 C ATOM 308 O ASP A 19 -2.522 -6.183 3.037 1.00 0.00 O ATOM 309 CB ASP A 19 -0.112 -8.495 2.712 1.00 0.00 C ATOM 310 CG ASP A 19 0.167 -9.702 3.584 1.00 0.00 C ATOM 311 OD1 ASP A 19 0.807 -10.655 3.092 1.00 0.00 O ATOM 312 OD2 ASP A 19 -0.254 -9.696 4.760 1.00 0.00 O ATOM 0 H ASP A 19 -1.282 -9.314 0.621 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.175 -8.637 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.422 -8.601 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.277 -7.601 3.199 1.00 0.00 H new ATOM 317 N VAL A 20 -1.485 -6.318 1.048 1.00 0.00 N ATOM 318 CA VAL A 20 -1.716 -4.916 0.729 1.00 0.00 C ATOM 319 C VAL A 20 -3.205 -4.580 0.740 1.00 0.00 C ATOM 320 O VAL A 20 -3.594 -3.530 1.244 1.00 0.00 O ATOM 321 CB VAL A 20 -1.098 -4.518 -0.628 1.00 0.00 C ATOM 322 CG1 VAL A 20 0.349 -4.974 -0.706 1.00 0.00 C ATOM 323 CG2 VAL A 20 -1.897 -5.096 -1.781 1.00 0.00 C ATOM 0 H VAL A 20 -0.980 -6.841 0.332 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.219 -4.338 1.508 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.127 -3.431 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.770 -4.686 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.922 -4.506 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.395 -6.058 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.440 -4.800 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.907 -6.183 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.919 -4.720 -1.740 1.00 0.00 H new ATOM 333 N TYR A 21 -4.039 -5.473 0.196 1.00 0.00 N ATOM 334 CA TYR A 21 -5.482 -5.233 0.174 1.00 0.00 C ATOM 335 C TYR A 21 -6.068 -5.378 1.571 1.00 0.00 C ATOM 336 O TYR A 21 -6.834 -4.520 2.012 1.00 0.00 O ATOM 337 CB TYR A 21 -6.212 -6.168 -0.802 1.00 0.00 C ATOM 338 CG TYR A 21 -7.459 -5.557 -1.401 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.448 -4.263 -1.905 1.00 0.00 C ATOM 340 CD2 TYR A 21 -8.646 -6.276 -1.461 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.586 -3.702 -2.453 1.00 0.00 C ATOM 342 CE2 TYR A 21 -9.788 -5.722 -2.008 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.754 -4.436 -2.501 1.00 0.00 C ATOM 344 OH TYR A 21 -10.888 -3.880 -3.046 1.00 0.00 O ATOM 0 H TYR A 21 -3.745 -6.353 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.630 -4.212 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.530 -6.446 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.481 -7.087 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.536 -3.686 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.677 -7.284 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.562 -2.695 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.703 -6.295 -2.049 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.622 -4.528 -3.004 1.00 0.00 H new ATOM 354 N HIS A 22 -5.702 -6.447 2.290 1.00 0.00 N ATOM 355 CA HIS A 22 -6.214 -6.625 3.642 1.00 0.00 C ATOM 356 C HIS A 22 -5.732 -5.483 4.519 1.00 0.00 C ATOM 357 O HIS A 22 -6.506 -4.901 5.278 1.00 0.00 O ATOM 358 CB HIS A 22 -5.773 -7.972 4.220 1.00 0.00 C ATOM 359 CG HIS A 22 -6.576 -8.405 5.407 1.00 0.00 C ATOM 360 ND1 HIS A 22 -6.064 -8.446 6.687 1.00 0.00 N ATOM 361 CD2 HIS A 22 -7.862 -8.816 5.504 1.00 0.00 C ATOM 362 CE1 HIS A 22 -7.000 -8.866 7.520 1.00 0.00 C ATOM 363 NE2 HIS A 22 -8.101 -9.096 6.827 1.00 0.00 N ATOM 0 H HIS A 22 -5.071 -7.179 1.965 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.304 -6.619 3.611 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.848 -8.733 3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.723 -7.910 4.505 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.568 -8.907 4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.885 -8.999 8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.985 -9.428 7.212 1.00 0.00 H new ATOM 372 N THR A 23 -4.457 -5.136 4.381 1.00 0.00 N ATOM 373 CA THR A 23 -3.904 -4.026 5.136 1.00 0.00 C ATOM 374 C THR A 23 -4.563 -2.741 4.669 1.00 0.00 C ATOM 375 O THR A 23 -4.841 -1.846 5.464 1.00 0.00 O ATOM 376 CB THR A 23 -2.391 -3.932 4.963 1.00 0.00 C ATOM 377 OG1 THR A 23 -2.050 -3.770 3.597 1.00 0.00 O ATOM 378 CG2 THR A 23 -1.649 -5.143 5.484 1.00 0.00 C ATOM 0 H THR A 23 -3.796 -5.603 3.760 1.00 0.00 H new ATOM 0 HA THR A 23 -4.103 -4.188 6.195 1.00 0.00 H new ATOM 0 HB THR A 23 -2.089 -3.065 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.784 -4.635 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.579 -5.008 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.849 -5.262 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.984 -6.032 4.950 1.00 0.00 H new ATOM 386 N LEU A 24 -4.849 -2.674 3.367 1.00 0.00 N ATOM 387 CA LEU A 24 -5.521 -1.514 2.798 1.00 0.00 C ATOM 388 C LEU A 24 -6.844 -1.288 3.516 1.00 0.00 C ATOM 389 O LEU A 24 -7.405 -0.196 3.480 1.00 0.00 O ATOM 390 CB LEU A 24 -5.779 -1.699 1.297 1.00 0.00 C ATOM 391 CG LEU A 24 -5.381 -0.510 0.416 1.00 0.00 C ATOM 392 CD1 LEU A 24 -5.679 0.804 1.121 1.00 0.00 C ATOM 393 CD2 LEU A 24 -3.909 -0.593 0.037 1.00 0.00 C ATOM 0 H LEU A 24 -4.626 -3.407 2.694 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.872 -0.648 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.236 -2.581 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.840 -1.902 1.149 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.973 -0.549 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.389 1.635 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.745 0.867 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.116 0.852 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.646 0.260 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.299 -0.582 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.726 -1.516 -0.513 1.00 0.00 H new ATOM 405 N LYS A 25 -7.339 -2.340 4.164 1.00 0.00 N ATOM 406 CA LYS A 25 -8.595 -2.264 4.881 1.00 0.00 C ATOM 407 C LYS A 25 -8.514 -1.290 6.050 1.00 0.00 C ATOM 408 O LYS A 25 -9.349 -0.395 6.174 1.00 0.00 O ATOM 409 CB LYS A 25 -9.015 -3.649 5.377 1.00 0.00 C ATOM 410 CG LYS A 25 -10.459 -3.713 5.847 1.00 0.00 C ATOM 411 CD LYS A 25 -11.422 -3.251 4.763 1.00 0.00 C ATOM 412 CE LYS A 25 -12.064 -1.919 5.116 1.00 0.00 C ATOM 413 NZ LYS A 25 -12.697 -1.277 3.932 1.00 0.00 N ATOM 0 H LYS A 25 -6.884 -3.252 4.203 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.348 -1.893 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.870 -4.373 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.361 -3.946 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.702 -4.735 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.582 -3.090 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.889 -3.159 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.198 -4.003 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.815 -2.072 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.309 -1.251 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.123 -0.371 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.976 -1.107 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.435 -1.903 3.551 1.00 0.00 H new ATOM 427 N LEU A 26 -7.512 -1.459 6.911 1.00 0.00 N ATOM 428 CA LEU A 26 -7.367 -0.571 8.057 1.00 0.00 C ATOM 429 C LEU A 26 -7.006 0.835 7.595 1.00 0.00 C ATOM 430 O LEU A 26 -7.580 1.813 8.063 1.00 0.00 O ATOM 431 CB LEU A 26 -6.342 -1.102 9.065 1.00 0.00 C ATOM 432 CG LEU A 26 -5.047 -1.631 8.465 1.00 0.00 C ATOM 433 CD1 LEU A 26 -4.112 -0.482 8.148 1.00 0.00 C ATOM 434 CD2 LEU A 26 -4.386 -2.623 9.412 1.00 0.00 C ATOM 0 H LEU A 26 -6.803 -2.188 6.838 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.327 -0.532 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.098 -0.302 9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.807 -1.900 9.643 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.278 -2.154 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.189 -0.872 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.589 0.189 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.885 0.065 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.462 -2.991 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.162 -2.129 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.061 -3.460 9.591 1.00 0.00 H new ATOM 446 N VAL A 27 -6.078 0.925 6.654 1.00 0.00 N ATOM 447 CA VAL A 27 -5.665 2.218 6.106 1.00 0.00 C ATOM 448 C VAL A 27 -6.813 2.882 5.377 1.00 0.00 C ATOM 449 O VAL A 27 -7.025 4.083 5.506 1.00 0.00 O ATOM 450 CB VAL A 27 -4.483 2.095 5.128 1.00 0.00 C ATOM 451 CG1 VAL A 27 -3.183 2.500 5.793 1.00 0.00 C ATOM 452 CG2 VAL A 27 -4.380 0.706 4.589 1.00 0.00 C ATOM 0 H VAL A 27 -5.595 0.122 6.251 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.352 2.820 6.959 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.668 2.775 4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.364 2.404 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.253 3.535 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.996 1.853 6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.537 0.645 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.228 0.007 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.299 0.451 4.061 1.00 0.00 H new ATOM 462 N SER A 28 -7.552 2.109 4.598 1.00 0.00 N ATOM 463 CA SER A 28 -8.661 2.672 3.856 1.00 0.00 C ATOM 464 C SER A 28 -9.717 3.233 4.793 1.00 0.00 C ATOM 465 O SER A 28 -10.282 4.299 4.535 1.00 0.00 O ATOM 466 CB SER A 28 -9.279 1.637 2.915 1.00 0.00 C ATOM 467 OG SER A 28 -9.781 0.526 3.639 1.00 0.00 O ATOM 0 H SER A 28 -7.406 1.108 4.466 1.00 0.00 H new ATOM 0 HA SER A 28 -8.269 3.490 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.085 2.096 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.531 1.300 2.198 1.00 0.00 H new ATOM 0 HG SER A 28 -9.073 0.161 4.210 1.00 0.00 H new ATOM 473 N VAL A 29 -9.969 2.518 5.885 1.00 0.00 N ATOM 474 CA VAL A 29 -10.948 2.940 6.869 1.00 0.00 C ATOM 475 C VAL A 29 -10.374 4.045 7.748 1.00 0.00 C ATOM 476 O VAL A 29 -11.014 5.070 7.981 1.00 0.00 O ATOM 477 CB VAL A 29 -11.388 1.735 7.732 1.00 0.00 C ATOM 478 CG1 VAL A 29 -11.001 1.904 9.194 1.00 0.00 C ATOM 479 CG2 VAL A 29 -12.884 1.491 7.592 1.00 0.00 C ATOM 0 H VAL A 29 -9.503 1.638 6.108 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.821 3.333 6.349 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.856 0.860 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.331 1.033 9.761 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.918 2.001 9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.476 2.799 9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.173 0.639 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.429 2.376 7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.123 1.283 6.549 1.00 0.00 H new ATOM 489 N TYR A 30 -9.163 3.816 8.235 1.00 0.00 N ATOM 490 CA TYR A 30 -8.492 4.782 9.096 1.00 0.00 C ATOM 491 C TYR A 30 -8.065 6.018 8.315 1.00 0.00 C ATOM 492 O TYR A 30 -7.910 7.094 8.892 1.00 0.00 O ATOM 493 CB TYR A 30 -7.274 4.155 9.777 1.00 0.00 C ATOM 494 CG TYR A 30 -7.595 3.473 11.088 1.00 0.00 C ATOM 495 CD1 TYR A 30 -8.041 2.157 11.120 1.00 0.00 C ATOM 496 CD2 TYR A 30 -7.450 4.146 12.295 1.00 0.00 C ATOM 497 CE1 TYR A 30 -8.334 1.532 12.318 1.00 0.00 C ATOM 498 CE2 TYR A 30 -7.741 3.528 13.496 1.00 0.00 C ATOM 499 CZ TYR A 30 -8.182 2.221 13.501 1.00 0.00 C ATOM 500 OH TYR A 30 -8.472 1.602 14.696 1.00 0.00 O ATOM 0 H TYR A 30 -8.624 2.970 8.049 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.207 5.085 9.860 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.824 3.429 9.100 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.528 4.930 9.954 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.161 1.614 10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.104 5.169 12.294 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.680 0.509 12.326 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.624 4.065 14.426 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.311 2.225 15.435 1.00 0.00 H new ATOM 510 N LEU A 31 -7.871 5.875 7.003 1.00 0.00 N ATOM 511 CA LEU A 31 -7.460 7.006 6.187 1.00 0.00 C ATOM 512 C LEU A 31 -8.589 7.441 5.260 1.00 0.00 C ATOM 513 O LEU A 31 -8.451 8.418 4.524 1.00 0.00 O ATOM 514 CB LEU A 31 -6.213 6.665 5.353 1.00 0.00 C ATOM 515 CG LEU A 31 -5.070 5.914 6.067 1.00 0.00 C ATOM 516 CD1 LEU A 31 -3.718 6.472 5.639 1.00 0.00 C ATOM 517 CD2 LEU A 31 -5.204 5.973 7.585 1.00 0.00 C ATOM 0 H LEU A 31 -7.991 4.999 6.494 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.216 7.825 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.531 6.065 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.809 7.595 4.954 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.139 4.867 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.922 5.931 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.601 6.355 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.663 7.530 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.378 5.431 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.183 7.013 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.148 5.518 7.885 1.00 0.00 H new ATOM 529 N ASN A 32 -9.705 6.703 5.281 1.00 0.00 N ATOM 530 CA ASN A 32 -10.839 7.017 4.419 1.00 0.00 C ATOM 531 C ASN A 32 -10.338 7.271 3.006 1.00 0.00 C ATOM 532 O ASN A 32 -10.825 8.157 2.304 1.00 0.00 O ATOM 533 CB ASN A 32 -11.590 8.243 4.942 1.00 0.00 C ATOM 534 CG ASN A 32 -13.074 8.188 4.634 1.00 0.00 C ATOM 535 OD1 ASN A 32 -13.908 8.226 5.538 1.00 0.00 O ATOM 536 ND2 ASN A 32 -13.408 8.098 3.353 1.00 0.00 N ATOM 0 H ASN A 32 -9.842 5.891 5.883 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.529 6.173 4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.448 8.320 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.163 9.143 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.391 8.057 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.682 8.070 2.637 1.00 0.00 H new ATOM 543 N ARG A 33 -9.329 6.500 2.619 1.00 0.00 N ATOM 544 CA ARG A 33 -8.711 6.647 1.304 1.00 0.00 C ATOM 545 C ARG A 33 -8.905 5.410 0.438 1.00 0.00 C ATOM 546 O ARG A 33 -9.282 4.345 0.928 1.00 0.00 O ATOM 547 CB ARG A 33 -7.212 6.925 1.465 1.00 0.00 C ATOM 548 CG ARG A 33 -6.905 8.318 1.990 1.00 0.00 C ATOM 549 CD ARG A 33 -5.851 9.018 1.145 1.00 0.00 C ATOM 550 NE ARG A 33 -6.436 10.026 0.264 1.00 0.00 N ATOM 551 CZ ARG A 33 -7.038 11.130 0.697 1.00 0.00 C ATOM 552 NH1 ARG A 33 -7.138 11.374 1.998 1.00 0.00 N ATOM 553 NH2 ARG A 33 -7.543 11.995 -0.173 1.00 0.00 N ATOM 0 H ARG A 33 -8.920 5.766 3.197 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.199 7.484 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.785 6.187 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.721 6.793 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.818 8.913 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.559 8.250 3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.117 9.490 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.317 8.280 0.547 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.379 9.874 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.752 10.713 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.601 12.223 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.470 11.813 -1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.005 12.842 0.159 1.00 0.00 H new ATOM 567 N ASP A 34 -8.611 5.557 -0.849 1.00 0.00 N ATOM 568 CA ASP A 34 -8.717 4.452 -1.790 1.00 0.00 C ATOM 569 C ASP A 34 -7.419 3.656 -1.771 1.00 0.00 C ATOM 570 O ASP A 34 -6.397 4.146 -1.291 1.00 0.00 O ATOM 571 CB ASP A 34 -9.001 4.971 -3.201 1.00 0.00 C ATOM 572 CG ASP A 34 -9.576 3.898 -4.105 1.00 0.00 C ATOM 573 OD1 ASP A 34 -10.770 3.999 -4.460 1.00 0.00 O ATOM 574 OD2 ASP A 34 -8.834 2.959 -4.460 1.00 0.00 O ATOM 0 H ASP A 34 -8.297 6.434 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.545 3.807 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.698 5.807 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.078 5.354 -3.637 1.00 0.00 H new ATOM 579 N MET A 35 -7.449 2.435 -2.289 1.00 0.00 N ATOM 580 CA MET A 35 -6.263 1.600 -2.309 1.00 0.00 C ATOM 581 C MET A 35 -5.091 2.350 -2.935 1.00 0.00 C ATOM 582 O MET A 35 -4.088 2.607 -2.274 1.00 0.00 O ATOM 583 CB MET A 35 -6.557 0.294 -3.056 1.00 0.00 C ATOM 584 CG MET A 35 -5.491 -0.097 -4.060 1.00 0.00 C ATOM 585 SD MET A 35 -5.599 -1.828 -4.555 1.00 0.00 S ATOM 586 CE MET A 35 -7.165 -1.834 -5.422 1.00 0.00 C ATOM 0 H MET A 35 -8.279 2.006 -2.698 1.00 0.00 H new ATOM 0 HA MET A 35 -5.984 1.351 -1.285 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.669 -0.511 -2.329 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.511 0.391 -3.574 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.581 0.535 -4.943 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.507 0.093 -3.631 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.340 -2.821 -5.851 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.968 -1.594 -4.725 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.142 -1.091 -6.219 1.00 0.00 H new ATOM 596 N THR A 36 -5.229 2.707 -4.209 1.00 0.00 N ATOM 597 CA THR A 36 -4.177 3.435 -4.915 1.00 0.00 C ATOM 598 C THR A 36 -3.779 4.682 -4.134 1.00 0.00 C ATOM 599 O THR A 36 -2.595 4.968 -3.962 1.00 0.00 O ATOM 600 CB THR A 36 -4.644 3.825 -6.325 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.012 3.507 -6.508 1.00 0.00 O ATOM 602 CG2 THR A 36 -3.868 3.155 -7.440 1.00 0.00 C ATOM 0 H THR A 36 -6.055 2.505 -4.772 1.00 0.00 H new ATOM 0 HA THR A 36 -3.309 2.782 -5.003 1.00 0.00 H new ATOM 0 HB THR A 36 -4.470 4.899 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.290 3.765 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.259 3.483 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.815 3.426 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.971 2.073 -7.356 1.00 0.00 H new ATOM 610 N GLU A 37 -4.775 5.418 -3.654 1.00 0.00 N ATOM 611 CA GLU A 37 -4.521 6.628 -2.882 1.00 0.00 C ATOM 612 C GLU A 37 -3.673 6.302 -1.658 1.00 0.00 C ATOM 613 O GLU A 37 -2.752 7.035 -1.317 1.00 0.00 O ATOM 614 CB GLU A 37 -5.841 7.276 -2.454 1.00 0.00 C ATOM 615 CG GLU A 37 -6.006 8.701 -2.956 1.00 0.00 C ATOM 616 CD GLU A 37 -7.439 9.191 -2.860 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.663 10.251 -2.239 1.00 0.00 O ATOM 618 OE2 GLU A 37 -8.335 8.515 -3.406 1.00 0.00 O ATOM 0 H GLU A 37 -5.762 5.199 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.976 7.333 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.670 6.671 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.902 7.273 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.360 9.363 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.675 8.758 -3.993 1.00 0.00 H new ATOM 625 N ILE A 38 -3.990 5.188 -1.010 1.00 0.00 N ATOM 626 CA ILE A 38 -3.262 4.744 0.173 1.00 0.00 C ATOM 627 C ILE A 38 -1.890 4.192 -0.204 1.00 0.00 C ATOM 628 O ILE A 38 -0.862 4.672 0.272 1.00 0.00 O ATOM 629 CB ILE A 38 -4.051 3.644 0.908 1.00 0.00 C ATOM 630 CG1 ILE A 38 -5.129 4.243 1.819 1.00 0.00 C ATOM 631 CG2 ILE A 38 -3.134 2.748 1.724 1.00 0.00 C ATOM 632 CD1 ILE A 38 -6.494 3.632 1.617 1.00 0.00 C ATOM 0 H ILE A 38 -4.753 4.570 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.136 5.609 0.824 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.535 3.040 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.830 4.110 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.190 5.316 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.726 1.984 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.411 2.269 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.606 3.347 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.207 4.103 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.814 3.788 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.448 2.563 1.825 1.00 0.00 H new ATOM 644 N ILE A 39 -1.888 3.165 -1.050 1.00 0.00 N ATOM 645 CA ILE A 39 -0.667 2.530 -1.478 1.00 0.00 C ATOM 646 C ILE A 39 0.274 3.518 -2.147 1.00 0.00 C ATOM 647 O ILE A 39 1.493 3.430 -1.994 1.00 0.00 O ATOM 648 CB ILE A 39 -1.009 1.394 -2.442 1.00 0.00 C ATOM 649 CG1 ILE A 39 0.236 0.710 -2.965 1.00 0.00 C ATOM 650 CG2 ILE A 39 -1.847 1.906 -3.593 1.00 0.00 C ATOM 651 CD1 ILE A 39 0.085 -0.784 -2.964 1.00 0.00 C ATOM 0 H ILE A 39 -2.734 2.759 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.155 2.136 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.586 0.656 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.444 1.055 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.092 0.991 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.080 1.082 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.773 2.332 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.292 2.673 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.997 -1.242 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.097 -1.131 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.755 -1.065 -3.599 1.00 0.00 H new ATOM 663 N GLU A 40 -0.292 4.457 -2.892 1.00 0.00 N ATOM 664 CA GLU A 40 0.514 5.449 -3.578 1.00 0.00 C ATOM 665 C GLU A 40 0.855 6.619 -2.664 1.00 0.00 C ATOM 666 O GLU A 40 1.844 7.315 -2.898 1.00 0.00 O ATOM 667 CB GLU A 40 -0.193 5.949 -4.837 1.00 0.00 C ATOM 668 CG GLU A 40 0.768 6.365 -5.938 1.00 0.00 C ATOM 669 CD GLU A 40 1.483 5.181 -6.561 1.00 0.00 C ATOM 670 OE1 GLU A 40 2.387 4.622 -5.905 1.00 0.00 O ATOM 671 OE2 GLU A 40 1.137 4.810 -7.701 1.00 0.00 O ATOM 0 H GLU A 40 -1.298 4.550 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 40 1.446 4.966 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.849 5.164 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.827 6.797 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.219 6.902 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.505 7.057 -5.531 1.00 0.00 H new ATOM 678 N GLU A 41 0.062 6.841 -1.614 1.00 0.00 N ATOM 679 CA GLU A 41 0.372 7.938 -0.701 1.00 0.00 C ATOM 680 C GLU A 41 1.386 7.481 0.338 1.00 0.00 C ATOM 681 O GLU A 41 2.190 8.273 0.826 1.00 0.00 O ATOM 682 CB GLU A 41 -0.882 8.491 -0.016 1.00 0.00 C ATOM 683 CG GLU A 41 -1.451 7.583 1.061 1.00 0.00 C ATOM 684 CD GLU A 41 -2.668 8.179 1.740 1.00 0.00 C ATOM 685 OE1 GLU A 41 -3.693 7.475 1.852 1.00 0.00 O ATOM 686 OE2 GLU A 41 -2.597 9.353 2.163 1.00 0.00 O ATOM 0 H GLU A 41 -0.769 6.298 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 41 0.799 8.748 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.644 9.458 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.648 8.666 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.719 6.624 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.682 7.385 1.808 1.00 0.00 H new ATOM 693 N ALA A 42 1.346 6.192 0.663 1.00 0.00 N ATOM 694 CA ALA A 42 2.266 5.619 1.634 1.00 0.00 C ATOM 695 C ALA A 42 3.662 5.495 1.040 1.00 0.00 C ATOM 696 O ALA A 42 4.661 5.790 1.696 1.00 0.00 O ATOM 697 CB ALA A 42 1.763 4.259 2.089 1.00 0.00 C ATOM 0 H ALA A 42 0.684 5.525 0.266 1.00 0.00 H new ATOM 0 HA ALA A 42 2.318 6.282 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.458 3.838 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.781 4.369 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.689 3.592 1.230 1.00 0.00 H new ATOM 703 N VAL A 43 3.717 5.050 -0.210 1.00 0.00 N ATOM 704 CA VAL A 43 4.982 4.873 -0.914 1.00 0.00 C ATOM 705 C VAL A 43 5.817 6.139 -0.892 1.00 0.00 C ATOM 706 O VAL A 43 6.922 6.167 -0.351 1.00 0.00 O ATOM 707 CB VAL A 43 4.748 4.468 -2.392 1.00 0.00 C ATOM 708 CG1 VAL A 43 3.691 5.328 -3.047 1.00 0.00 C ATOM 709 CG2 VAL A 43 6.032 4.547 -3.193 1.00 0.00 C ATOM 0 H VAL A 43 2.894 4.804 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 43 5.517 4.079 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 43 4.398 3.436 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.556 5.013 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.749 5.220 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.005 6.372 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.835 4.257 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.413 5.568 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.772 3.873 -2.762 1.00 0.00 H new ATOM 719 N VAL A 44 5.279 7.176 -1.498 1.00 0.00 N ATOM 720 CA VAL A 44 5.958 8.454 -1.573 1.00 0.00 C ATOM 721 C VAL A 44 6.311 8.952 -0.182 1.00 0.00 C ATOM 722 O VAL A 44 7.462 9.276 0.099 1.00 0.00 O ATOM 723 CB VAL A 44 5.083 9.486 -2.318 1.00 0.00 C ATOM 724 CG1 VAL A 44 5.169 10.876 -1.689 1.00 0.00 C ATOM 725 CG2 VAL A 44 5.456 9.539 -3.791 1.00 0.00 C ATOM 0 H VAL A 44 4.365 7.159 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 44 6.884 8.322 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 44 4.048 9.156 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.537 11.567 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.830 10.829 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.201 11.225 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.829 10.272 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.503 9.826 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.304 8.558 -4.240 1.00 0.00 H new ATOM 735 N MET A 45 5.320 9.002 0.690 1.00 0.00 N ATOM 736 CA MET A 45 5.547 9.457 2.050 1.00 0.00 C ATOM 737 C MET A 45 6.641 8.633 2.717 1.00 0.00 C ATOM 738 O MET A 45 7.384 9.148 3.551 1.00 0.00 O ATOM 739 CB MET A 45 4.260 9.398 2.869 1.00 0.00 C ATOM 740 CG MET A 45 3.686 10.771 3.174 1.00 0.00 C ATOM 741 SD MET A 45 3.497 11.796 1.701 1.00 0.00 S ATOM 742 CE MET A 45 4.658 13.113 2.052 1.00 0.00 C ATOM 0 H MET A 45 4.357 8.735 0.483 1.00 0.00 H new ATOM 0 HA MET A 45 5.874 10.496 2.006 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.518 8.812 2.327 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.456 8.876 3.806 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.716 10.655 3.656 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.336 11.281 3.885 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.127 14.064 2.098 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.145 12.923 3.008 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.410 13.155 1.264 1.00 0.00 H new ATOM 752 N TRP A 46 6.755 7.358 2.340 1.00 0.00 N ATOM 753 CA TRP A 46 7.786 6.508 2.917 1.00 0.00 C ATOM 754 C TRP A 46 9.159 6.988 2.478 1.00 0.00 C ATOM 755 O TRP A 46 10.015 7.285 3.308 1.00 0.00 O ATOM 756 CB TRP A 46 7.578 5.045 2.517 1.00 0.00 C ATOM 757 CG TRP A 46 8.666 4.136 3.003 1.00 0.00 C ATOM 758 CD1 TRP A 46 9.441 3.306 2.245 1.00 0.00 C ATOM 759 CD2 TRP A 46 9.103 3.967 4.357 1.00 0.00 C ATOM 760 NE1 TRP A 46 10.330 2.629 3.043 1.00 0.00 N ATOM 761 CE2 TRP A 46 10.144 3.019 4.344 1.00 0.00 C ATOM 762 CE3 TRP A 46 8.717 4.526 5.578 1.00 0.00 C ATOM 763 CZ2 TRP A 46 10.801 2.619 5.505 1.00 0.00 C ATOM 764 CZ3 TRP A 46 9.370 4.128 6.729 1.00 0.00 C ATOM 765 CH2 TRP A 46 10.403 3.183 6.686 1.00 0.00 C ATOM 0 H TRP A 46 6.157 6.902 1.651 1.00 0.00 H new ATOM 0 HA TRP A 46 7.718 6.572 4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.623 4.700 2.912 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.516 4.978 1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.366 3.198 1.173 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.017 1.947 2.720 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.922 5.256 5.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.597 1.889 5.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.079 4.553 7.678 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.895 2.894 7.603 1.00 0.00 H new ATOM 776 N LEU A 47 9.358 7.088 1.169 1.00 0.00 N ATOM 777 CA LEU A 47 10.628 7.566 0.642 1.00 0.00 C ATOM 778 C LEU A 47 10.881 8.978 1.126 1.00 0.00 C ATOM 779 O LEU A 47 11.977 9.326 1.560 1.00 0.00 O ATOM 780 CB LEU A 47 10.642 7.580 -0.888 1.00 0.00 C ATOM 781 CG LEU A 47 9.309 7.886 -1.573 1.00 0.00 C ATOM 782 CD1 LEU A 47 9.229 9.367 -1.904 1.00 0.00 C ATOM 783 CD2 LEU A 47 9.151 7.046 -2.832 1.00 0.00 C ATOM 0 H LEU A 47 8.664 6.847 0.461 1.00 0.00 H new ATOM 0 HA LEU A 47 11.402 6.884 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.374 8.318 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.991 6.608 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 47 8.495 7.633 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.278 9.580 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.304 9.950 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.047 9.635 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.197 7.277 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.963 7.270 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.179 5.988 -2.570 1.00 0.00 H new ATOM 795 N ILE A 48 9.851 9.792 1.027 1.00 0.00 N ATOM 796 CA ILE A 48 9.935 11.171 1.424 1.00 0.00 C ATOM 797 C ILE A 48 10.400 11.308 2.866 1.00 0.00 C ATOM 798 O ILE A 48 11.264 12.130 3.168 1.00 0.00 O ATOM 799 CB ILE A 48 8.576 11.866 1.215 1.00 0.00 C ATOM 800 CG1 ILE A 48 8.705 12.899 0.108 1.00 0.00 C ATOM 801 CG2 ILE A 48 8.066 12.502 2.497 1.00 0.00 C ATOM 802 CD1 ILE A 48 8.784 12.298 -1.278 1.00 0.00 C ATOM 0 H ILE A 48 8.938 9.512 0.670 1.00 0.00 H new ATOM 0 HA ILE A 48 10.679 11.661 0.796 1.00 0.00 H new ATOM 0 HB ILE A 48 7.843 11.114 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.851 13.575 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.597 13.499 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.106 12.982 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.944 11.734 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.782 13.247 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.875 13.095 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.654 11.644 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.881 11.721 -1.476 1.00 0.00 H new ATOM 814 N GLN A 49 9.824 10.512 3.758 1.00 0.00 N ATOM 815 CA GLN A 49 10.207 10.586 5.154 1.00 0.00 C ATOM 816 C GLN A 49 11.449 9.743 5.447 1.00 0.00 C ATOM 817 O GLN A 49 12.221 10.058 6.352 1.00 0.00 O ATOM 818 CB GLN A 49 9.042 10.165 6.061 1.00 0.00 C ATOM 819 CG GLN A 49 8.795 8.662 6.121 1.00 0.00 C ATOM 820 CD GLN A 49 8.496 8.178 7.527 1.00 0.00 C ATOM 821 OE1 GLN A 49 9.172 7.290 8.047 1.00 0.00 O ATOM 822 NE2 GLN A 49 7.480 8.763 8.150 1.00 0.00 N ATOM 0 H GLN A 49 9.104 9.822 3.542 1.00 0.00 H new ATOM 0 HA GLN A 49 10.457 11.625 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.235 10.529 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.133 10.656 5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.960 8.408 5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.671 8.138 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.947 9.495 7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.232 8.480 9.098 1.00 0.00 H new ATOM 831 N ASN A 50 11.624 8.653 4.698 1.00 0.00 N ATOM 832 CA ASN A 50 12.759 7.756 4.915 1.00 0.00 C ATOM 833 C ASN A 50 13.918 8.005 3.950 1.00 0.00 C ATOM 834 O ASN A 50 15.035 8.308 4.368 1.00 0.00 O ATOM 835 CB ASN A 50 12.305 6.297 4.805 1.00 0.00 C ATOM 836 CG ASN A 50 12.979 5.404 5.828 1.00 0.00 C ATOM 837 OD1 ASN A 50 14.056 4.743 5.420 1.00 0.00 O flip ATOM 838 ND2 ASN A 50 12.537 5.310 6.973 1.00 0.00 N flip ATOM 0 H ASN A 50 11.000 8.372 3.942 1.00 0.00 H new ATOM 0 HA ASN A 50 13.129 7.964 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.224 6.245 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.522 5.926 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.706 5.836 7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.001 4.706 7.651 1.00 0.00 H new ATOM 845 N LYS A 51 13.647 7.836 2.664 1.00 0.00 N ATOM 846 CA LYS A 51 14.666 7.998 1.626 1.00 0.00 C ATOM 847 C LYS A 51 15.358 9.357 1.693 1.00 0.00 C ATOM 848 O LYS A 51 16.586 9.428 1.754 1.00 0.00 O ATOM 849 CB LYS A 51 14.055 7.788 0.241 1.00 0.00 C ATOM 850 CG LYS A 51 14.163 6.357 -0.262 1.00 0.00 C ATOM 851 CD LYS A 51 13.604 5.356 0.740 1.00 0.00 C ATOM 852 CE LYS A 51 14.603 4.251 1.047 1.00 0.00 C ATOM 853 NZ LYS A 51 14.069 3.283 2.044 1.00 0.00 N ATOM 0 H LYS A 51 12.725 7.585 2.308 1.00 0.00 H new ATOM 0 HA LYS A 51 15.426 7.238 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.004 8.076 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.548 8.452 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.626 6.263 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.208 6.122 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.339 5.873 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.687 4.918 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.855 3.723 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.526 4.690 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.814 2.605 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.757 3.796 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.262 2.771 1.633 1.00 0.00 H new ATOM 867 N GLU A 52 14.576 10.433 1.668 1.00 0.00 N ATOM 868 CA GLU A 52 15.136 11.786 1.715 1.00 0.00 C ATOM 869 C GLU A 52 16.215 11.898 2.789 1.00 0.00 C ATOM 870 O GLU A 52 17.157 12.678 2.658 1.00 0.00 O ATOM 871 CB GLU A 52 14.034 12.811 1.981 1.00 0.00 C ATOM 872 CG GLU A 52 13.202 13.145 0.753 1.00 0.00 C ATOM 873 CD GLU A 52 12.401 14.421 0.920 1.00 0.00 C ATOM 874 OE1 GLU A 52 11.493 14.664 0.098 1.00 0.00 O ATOM 875 OE2 GLU A 52 12.681 15.178 1.874 1.00 0.00 O ATOM 0 H GLU A 52 13.558 10.398 1.616 1.00 0.00 H new ATOM 0 HA GLU A 52 15.590 11.992 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.376 12.430 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.486 13.726 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.860 13.244 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.523 12.319 0.544 1.00 0.00 H new ATOM 882 N LYS A 53 16.068 11.108 3.845 1.00 0.00 N ATOM 883 CA LYS A 53 17.026 11.109 4.942 1.00 0.00 C ATOM 884 C LYS A 53 17.548 9.700 5.205 1.00 0.00 C ATOM 885 O LYS A 53 17.902 9.368 6.334 1.00 0.00 O ATOM 886 CB LYS A 53 16.383 11.673 6.210 1.00 0.00 C ATOM 887 CG LYS A 53 15.154 10.903 6.663 1.00 0.00 C ATOM 888 CD LYS A 53 15.168 10.654 8.164 1.00 0.00 C ATOM 889 CE LYS A 53 15.531 9.214 8.489 1.00 0.00 C ATOM 890 NZ LYS A 53 14.517 8.256 7.967 1.00 0.00 N ATOM 0 H LYS A 53 15.292 10.457 3.965 1.00 0.00 H new ATOM 0 HA LYS A 53 17.866 11.743 4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.120 11.670 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.106 12.713 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.256 11.460 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.107 9.950 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.883 11.326 8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.188 10.886 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.506 8.980 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.620 9.097 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.397 7.475 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.609 8.747 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.836 7.877 7.053 1.00 0.00 H new ATOM 904 N LEU A 54 17.585 8.875 4.158 1.00 0.00 N ATOM 905 CA LEU A 54 18.051 7.493 4.279 1.00 0.00 C ATOM 906 C LEU A 54 19.440 7.430 4.911 1.00 0.00 C ATOM 907 O LEU A 54 20.447 7.662 4.243 1.00 0.00 O ATOM 908 CB LEU A 54 18.087 6.821 2.905 1.00 0.00 C ATOM 909 CG LEU A 54 17.977 5.294 2.931 1.00 0.00 C ATOM 910 CD1 LEU A 54 16.697 4.863 3.630 1.00 0.00 C ATOM 911 CD2 LEU A 54 18.029 4.733 1.518 1.00 0.00 C ATOM 0 H LEU A 54 17.298 9.140 3.216 1.00 0.00 H new ATOM 0 HA LEU A 54 17.350 6.964 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 54 17.272 7.219 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 54 19.017 7.095 2.407 1.00 0.00 H new ATOM 0 HG LEU A 54 18.824 4.897 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.636 3.775 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.699 5.235 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.837 5.270 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.950 3.647 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 54 17.202 5.138 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 54 18.973 5.012 1.050 1.00 0.00 H new ATOM 923 N PRO A 55 19.510 7.109 6.217 1.00 0.00 N ATOM 924 CA PRO A 55 20.773 7.010 6.947 1.00 0.00 C ATOM 925 C PRO A 55 21.504 5.704 6.659 1.00 0.00 C ATOM 926 O PRO A 55 20.906 4.738 6.186 1.00 0.00 O ATOM 927 CB PRO A 55 20.352 7.060 8.427 1.00 0.00 C ATOM 928 CG PRO A 55 18.869 7.267 8.431 1.00 0.00 C ATOM 929 CD PRO A 55 18.371 6.817 7.090 1.00 0.00 C ATOM 0 HA PRO A 55 21.463 7.804 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.618 6.135 8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.860 7.871 8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.400 6.694 9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.624 8.315 8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.117 5.757 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.476 7.360 6.786 1.00 0.00 H new ATOM 937 N ASN A 56 22.798 5.676 6.960 1.00 0.00 N ATOM 938 CA ASN A 56 23.605 4.481 6.746 1.00 0.00 C ATOM 939 C ASN A 56 23.300 3.433 7.814 1.00 0.00 C ATOM 940 O ASN A 56 23.464 2.234 7.585 1.00 0.00 O ATOM 941 CB ASN A 56 25.094 4.834 6.764 1.00 0.00 C ATOM 942 CG ASN A 56 25.843 4.232 5.591 1.00 0.00 C ATOM 943 OD1 ASN A 56 25.475 3.173 5.081 1.00 0.00 O ATOM 944 ND2 ASN A 56 26.901 4.905 5.155 1.00 0.00 N ATOM 0 H ASN A 56 23.310 6.466 7.352 1.00 0.00 H new ATOM 0 HA ASN A 56 23.355 4.066 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 56 25.208 5.918 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 56 25.537 4.481 7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 56 27.444 4.548 4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 56 27.171 5.779 5.607 1.00 0.00 H new ATOM 951 N GLU A 57 22.855 3.895 8.980 1.00 0.00 N ATOM 952 CA GLU A 57 22.524 3.002 10.085 1.00 0.00 C ATOM 953 C GLU A 57 21.160 2.349 9.874 1.00 0.00 C ATOM 954 O GLU A 57 20.859 1.316 10.471 1.00 0.00 O ATOM 955 CB GLU A 57 22.536 3.768 11.408 1.00 0.00 C ATOM 956 CG GLU A 57 21.738 5.062 11.370 1.00 0.00 C ATOM 957 CD GLU A 57 21.447 5.608 12.754 1.00 0.00 C ATOM 958 OE1 GLU A 57 20.257 5.675 13.128 1.00 0.00 O ATOM 959 OE2 GLU A 57 22.408 5.969 13.465 1.00 0.00 O ATOM 0 H GLU A 57 22.715 4.885 9.183 1.00 0.00 H new ATOM 0 HA GLU A 57 23.279 2.216 10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.135 3.127 12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 57 23.568 3.995 11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.289 5.808 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.798 4.890 10.846 1.00 0.00 H new ATOM 966 N LEU A 58 20.337 2.954 9.019 1.00 0.00 N ATOM 967 CA LEU A 58 19.009 2.423 8.731 1.00 0.00 C ATOM 968 C LEU A 58 19.102 1.214 7.809 1.00 0.00 C ATOM 969 O LEU A 58 18.242 0.335 7.840 1.00 0.00 O ATOM 970 CB LEU A 58 18.133 3.499 8.087 1.00 0.00 C ATOM 971 CG LEU A 58 16.927 3.944 8.918 1.00 0.00 C ATOM 972 CD1 LEU A 58 16.071 4.931 8.136 1.00 0.00 C ATOM 973 CD2 LEU A 58 16.097 2.743 9.343 1.00 0.00 C ATOM 0 H LEU A 58 20.567 3.811 8.515 1.00 0.00 H new ATOM 0 HA LEU A 58 18.556 2.112 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.752 4.372 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.775 3.126 7.127 1.00 0.00 H new ATOM 0 HG LEU A 58 17.296 4.443 9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.219 5.235 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.667 5.808 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.714 4.458 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.245 3.080 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.740 2.216 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 16.710 2.071 9.943 1.00 0.00 H new ATOM 985 N LYS A 59 20.153 1.180 6.986 1.00 0.00 N ATOM 986 CA LYS A 59 20.373 0.083 6.043 1.00 0.00 C ATOM 987 C LYS A 59 19.976 -1.268 6.644 1.00 0.00 C ATOM 988 O LYS A 59 19.167 -1.993 6.070 1.00 0.00 O ATOM 989 CB LYS A 59 21.839 0.046 5.609 1.00 0.00 C ATOM 990 CG LYS A 59 22.031 -0.337 4.151 1.00 0.00 C ATOM 991 CD LYS A 59 23.501 -0.533 3.814 1.00 0.00 C ATOM 992 CE LYS A 59 24.029 -1.845 4.369 1.00 0.00 C ATOM 993 NZ LYS A 59 23.936 -2.947 3.373 1.00 0.00 N ATOM 0 H LYS A 59 20.869 1.906 6.955 1.00 0.00 H new ATOM 0 HA LYS A 59 19.740 0.264 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.285 1.026 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.378 -0.664 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.483 -1.255 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 59 21.611 0.439 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 59 23.633 -0.515 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 59 24.082 0.295 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.068 -1.718 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.465 -2.114 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.306 -3.825 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.942 -3.086 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.495 -2.702 2.531 1.00 0.00 H new ATOM 1007 N PRO A 60 20.536 -1.627 7.813 1.00 0.00 N ATOM 1008 CA PRO A 60 20.219 -2.897 8.471 1.00 0.00 C ATOM 1009 C PRO A 60 18.735 -3.017 8.793 1.00 0.00 C ATOM 1010 O PRO A 60 18.190 -4.120 8.851 1.00 0.00 O ATOM 1011 CB PRO A 60 21.051 -2.867 9.759 1.00 0.00 C ATOM 1012 CG PRO A 60 21.414 -1.434 9.958 1.00 0.00 C ATOM 1013 CD PRO A 60 21.510 -0.837 8.583 1.00 0.00 C ATOM 0 HA PRO A 60 20.447 -3.752 7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.480 -3.250 10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.941 -3.489 9.667 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.661 -0.920 10.555 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.361 -1.341 10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 60 21.259 0.224 8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.516 -0.926 8.173 1.00 0.00 H new ATOM 1021 N LYS A 61 18.080 -1.877 8.988 1.00 0.00 N ATOM 1022 CA LYS A 61 16.656 -1.866 9.288 1.00 0.00 C ATOM 1023 C LYS A 61 15.843 -2.158 8.034 1.00 0.00 C ATOM 1024 O LYS A 61 14.735 -2.686 8.114 1.00 0.00 O ATOM 1025 CB LYS A 61 16.231 -0.525 9.886 1.00 0.00 C ATOM 1026 CG LYS A 61 14.893 -0.587 10.609 1.00 0.00 C ATOM 1027 CD LYS A 61 13.747 -0.175 9.699 1.00 0.00 C ATOM 1028 CE LYS A 61 13.174 1.175 10.101 1.00 0.00 C ATOM 1029 NZ LYS A 61 12.023 1.036 11.035 1.00 0.00 N ATOM 0 H LYS A 61 18.512 -0.954 8.944 1.00 0.00 H new ATOM 0 HA LYS A 61 16.464 -2.647 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.998 -0.186 10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.173 0.218 9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.723 -1.600 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.919 0.066 11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.098 -0.130 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.962 -0.930 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.953 1.774 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.854 1.713 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.619 1.974 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.297 0.430 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.348 0.607 11.925 1.00 0.00 H new ATOM 1043 N ILE A 62 16.402 -1.833 6.867 1.00 0.00 N ATOM 1044 CA ILE A 62 15.714 -2.095 5.607 1.00 0.00 C ATOM 1045 C ILE A 62 15.289 -3.558 5.558 1.00 0.00 C ATOM 1046 O ILE A 62 14.260 -3.900 4.975 1.00 0.00 O ATOM 1047 CB ILE A 62 16.600 -1.746 4.385 1.00 0.00 C ATOM 1048 CG1 ILE A 62 16.546 -0.243 4.106 1.00 0.00 C ATOM 1049 CG2 ILE A 62 16.170 -2.527 3.148 1.00 0.00 C ATOM 1050 CD1 ILE A 62 16.782 0.611 5.333 1.00 0.00 C ATOM 0 H ILE A 62 17.317 -1.394 6.770 1.00 0.00 H new ATOM 0 HA ILE A 62 14.833 -1.455 5.558 1.00 0.00 H new ATOM 0 HB ILE A 62 17.626 -2.029 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 62 17.293 0.005 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.572 0.005 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 62 16.811 -2.260 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 62 16.256 -3.596 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.135 -2.285 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.729 1.665 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.020 0.392 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 62 17.767 0.392 5.744 1.00 0.00 H new ATOM 1062 N ASP A 63 16.069 -4.410 6.221 1.00 0.00 N ATOM 1063 CA ASP A 63 15.755 -5.820 6.299 1.00 0.00 C ATOM 1064 C ASP A 63 14.482 -5.969 7.113 1.00 0.00 C ATOM 1065 O ASP A 63 13.569 -6.703 6.741 1.00 0.00 O ATOM 1066 CB ASP A 63 16.907 -6.591 6.949 1.00 0.00 C ATOM 1067 CG ASP A 63 17.315 -7.809 6.144 1.00 0.00 C ATOM 1068 OD1 ASP A 63 18.021 -7.640 5.128 1.00 0.00 O ATOM 1069 OD2 ASP A 63 16.929 -8.932 6.529 1.00 0.00 O ATOM 0 H ASP A 63 16.922 -4.140 6.710 1.00 0.00 H new ATOM 0 HA ASP A 63 15.611 -6.231 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.766 -5.929 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.612 -6.903 7.951 1.00 0.00 H new ATOM 1074 N GLU A 64 14.425 -5.217 8.211 1.00 0.00 N ATOM 1075 CA GLU A 64 13.259 -5.207 9.078 1.00 0.00 C ATOM 1076 C GLU A 64 12.039 -4.772 8.279 1.00 0.00 C ATOM 1077 O GLU A 64 10.993 -5.410 8.323 1.00 0.00 O ATOM 1078 CB GLU A 64 13.485 -4.264 10.264 1.00 0.00 C ATOM 1079 CG GLU A 64 13.708 -4.988 11.581 1.00 0.00 C ATOM 1080 CD GLU A 64 13.711 -4.047 12.770 1.00 0.00 C ATOM 1081 OE1 GLU A 64 14.806 -3.605 13.176 1.00 0.00 O ATOM 1082 OE2 GLU A 64 12.617 -3.752 13.297 1.00 0.00 O ATOM 0 H GLU A 64 15.181 -4.605 8.518 1.00 0.00 H new ATOM 0 HA GLU A 64 13.093 -6.211 9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.348 -3.632 10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.623 -3.604 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.927 -5.737 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.658 -5.521 11.542 1.00 0.00 H new ATOM 1089 N ILE A 65 12.201 -3.689 7.525 1.00 0.00 N ATOM 1090 CA ILE A 65 11.131 -3.162 6.682 1.00 0.00 C ATOM 1091 C ILE A 65 10.561 -4.262 5.793 1.00 0.00 C ATOM 1092 O ILE A 65 9.363 -4.294 5.519 1.00 0.00 O ATOM 1093 CB ILE A 65 11.646 -2.005 5.797 1.00 0.00 C ATOM 1094 CG1 ILE A 65 12.210 -0.883 6.671 1.00 0.00 C ATOM 1095 CG2 ILE A 65 10.540 -1.471 4.894 1.00 0.00 C ATOM 1096 CD1 ILE A 65 11.162 -0.224 7.540 1.00 0.00 C ATOM 0 H ILE A 65 13.069 -3.155 7.480 1.00 0.00 H new ATOM 0 HA ILE A 65 10.347 -2.784 7.338 1.00 0.00 H new ATOM 0 HB ILE A 65 12.442 -2.391 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.998 -1.287 7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.670 -0.129 6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.931 -0.658 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.180 -2.271 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.717 -1.102 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.625 0.563 8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.385 0.208 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.719 -0.967 8.203 1.00 0.00 H new ATOM 1108 N SER A 66 11.432 -5.161 5.345 1.00 0.00 N ATOM 1109 CA SER A 66 11.018 -6.263 4.484 1.00 0.00 C ATOM 1110 C SER A 66 10.459 -7.426 5.300 1.00 0.00 C ATOM 1111 O SER A 66 9.326 -7.857 5.088 1.00 0.00 O ATOM 1112 CB SER A 66 12.197 -6.742 3.635 1.00 0.00 C ATOM 1113 OG SER A 66 13.432 -6.460 4.270 1.00 0.00 O ATOM 0 H SER A 66 12.428 -5.148 5.564 1.00 0.00 H new ATOM 0 HA SER A 66 10.227 -5.896 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.111 -7.814 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.167 -6.257 2.659 1.00 0.00 H new ATOM 0 HG SER A 66 13.525 -7.021 5.068 1.00 0.00 H new ATOM 1387 N LYS B 9 -1.770 -13.270 -3.665 1.00 0.00 N ATOM 1388 CA LYS B 9 -1.588 -11.918 -4.182 1.00 0.00 C ATOM 1389 C LYS B 9 -2.446 -11.703 -5.423 1.00 0.00 C ATOM 1390 O LYS B 9 -2.779 -12.653 -6.131 1.00 0.00 O ATOM 1391 CB LYS B 9 -0.114 -11.692 -4.528 1.00 0.00 C ATOM 1392 CG LYS B 9 0.638 -10.868 -3.499 1.00 0.00 C ATOM 1393 CD LYS B 9 1.596 -11.721 -2.683 1.00 0.00 C ATOM 1394 CE LYS B 9 0.853 -12.624 -1.713 1.00 0.00 C ATOM 1395 NZ LYS B 9 1.759 -13.618 -1.072 1.00 0.00 N ATOM 0 HA LYS B 9 -1.895 -11.206 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS B 9 0.377 -12.659 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.050 -11.194 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS B 9 1.194 -10.077 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.074 -10.382 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS B 9 2.204 -12.328 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS B 9 2.278 -11.075 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.378 -12.016 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.057 -13.147 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.213 -14.214 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.193 -14.215 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 2.505 -13.119 -0.546 1.00 0.00 H new ATOM 1409 N LYS B 10 -2.803 -10.452 -5.677 1.00 0.00 N ATOM 1410 CA LYS B 10 -3.629 -10.116 -6.831 1.00 0.00 C ATOM 1411 C LYS B 10 -2.955 -9.052 -7.694 1.00 0.00 C ATOM 1412 O LYS B 10 -2.313 -8.144 -7.176 1.00 0.00 O ATOM 1413 CB LYS B 10 -4.985 -9.600 -6.357 1.00 0.00 C ATOM 1414 CG LYS B 10 -5.890 -10.673 -5.776 1.00 0.00 C ATOM 1415 CD LYS B 10 -6.682 -10.148 -4.584 1.00 0.00 C ATOM 1416 CE LYS B 10 -8.130 -10.606 -4.630 1.00 0.00 C ATOM 1417 NZ LYS B 10 -8.367 -11.791 -3.760 1.00 0.00 N ATOM 0 H LYS B 10 -2.535 -9.654 -5.102 1.00 0.00 H new ATOM 0 HA LYS B 10 -3.763 -11.016 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -4.825 -8.828 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -5.494 -9.126 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -6.578 -11.026 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -5.290 -11.529 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -6.220 -10.493 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -6.644 -9.059 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -8.779 -9.789 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -8.401 -10.850 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -9.367 -12.071 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -7.767 -12.579 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -8.133 -11.551 -2.775 1.00 0.00 H new ATOM 1431 N LYS B 11 -3.111 -9.148 -9.008 1.00 0.00 N ATOM 1432 CA LYS B 11 -2.514 -8.157 -9.894 1.00 0.00 C ATOM 1433 C LYS B 11 -3.228 -6.823 -9.731 1.00 0.00 C ATOM 1434 O LYS B 11 -4.367 -6.659 -10.167 1.00 0.00 O ATOM 1435 CB LYS B 11 -2.581 -8.611 -11.353 1.00 0.00 C ATOM 1436 CG LYS B 11 -2.145 -10.051 -11.566 1.00 0.00 C ATOM 1437 CD LYS B 11 -0.696 -10.133 -12.018 1.00 0.00 C ATOM 1438 CE LYS B 11 0.030 -11.293 -11.354 1.00 0.00 C ATOM 1439 NZ LYS B 11 -0.181 -12.574 -12.084 1.00 0.00 N ATOM 0 H LYS B 11 -3.635 -9.887 -9.477 1.00 0.00 H new ATOM 0 HA LYS B 11 -1.465 -8.043 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -3.603 -8.493 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.952 -7.957 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.270 -10.611 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -2.787 -10.520 -12.312 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -0.658 -10.250 -13.101 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.186 -9.199 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.097 -11.074 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -0.319 -11.399 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.330 -13.338 -11.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.197 -12.797 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 0.175 -12.482 -13.057 1.00 0.00 H new ATOM 1453 N THR B 12 -2.555 -5.876 -9.092 1.00 0.00 N ATOM 1454 CA THR B 12 -3.126 -4.558 -8.860 1.00 0.00 C ATOM 1455 C THR B 12 -2.500 -3.523 -9.784 1.00 0.00 C ATOM 1456 O THR B 12 -1.328 -3.630 -10.139 1.00 0.00 O ATOM 1457 CB THR B 12 -2.929 -4.142 -7.402 1.00 0.00 C ATOM 1458 OG1 THR B 12 -3.022 -5.266 -6.544 1.00 0.00 O ATOM 1459 CG2 THR B 12 -3.939 -3.119 -6.930 1.00 0.00 C ATOM 0 H THR B 12 -1.611 -5.997 -8.725 1.00 0.00 H new ATOM 0 HA THR B 12 -4.193 -4.611 -9.074 1.00 0.00 H new ATOM 0 HB THR B 12 -1.936 -3.694 -7.360 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.646 -5.070 -5.814 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.742 -2.868 -5.888 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.859 -2.220 -7.541 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.944 -3.531 -7.021 1.00 0.00 H new ATOM 1467 N THR B 13 -3.280 -2.522 -10.177 1.00 0.00 N ATOM 1468 CA THR B 13 -2.775 -1.482 -11.065 1.00 0.00 C ATOM 1469 C THR B 13 -2.907 -0.096 -10.451 1.00 0.00 C ATOM 1470 O THR B 13 -3.975 0.291 -9.977 1.00 0.00 O ATOM 1471 CB THR B 13 -3.506 -1.501 -12.406 1.00 0.00 C ATOM 1472 OG1 THR B 13 -3.904 -2.816 -12.750 1.00 0.00 O ATOM 1473 CG2 THR B 13 -2.668 -0.954 -13.540 1.00 0.00 C ATOM 0 H THR B 13 -4.255 -2.409 -9.898 1.00 0.00 H new ATOM 0 HA THR B 13 -1.718 -1.697 -11.221 1.00 0.00 H new ATOM 0 HB THR B 13 -4.377 -0.859 -12.273 1.00 0.00 H new ATOM 0 HG1 THR B 13 -4.371 -2.802 -13.611 1.00 0.00 H new ATOM 0 HG21 THR B 13 -3.240 -0.993 -14.467 1.00 0.00 H new ATOM 0 HG22 THR B 13 -2.395 0.079 -13.325 1.00 0.00 H new ATOM 0 HG23 THR B 13 -1.764 -1.553 -13.646 1.00 0.00 H new ATOM 1481 N LEU B 14 -1.817 0.656 -10.504 1.00 0.00 N ATOM 1482 CA LEU B 14 -1.796 2.019 -9.996 1.00 0.00 C ATOM 1483 C LEU B 14 -1.350 2.953 -11.111 1.00 0.00 C ATOM 1484 O LEU B 14 -0.361 2.684 -11.791 1.00 0.00 O ATOM 1485 CB LEU B 14 -0.857 2.142 -8.792 1.00 0.00 C ATOM 1486 CG LEU B 14 -0.835 0.935 -7.852 1.00 0.00 C ATOM 1487 CD1 LEU B 14 0.190 1.142 -6.747 1.00 0.00 C ATOM 1488 CD2 LEU B 14 -2.214 0.688 -7.259 1.00 0.00 C ATOM 0 H LEU B 14 -0.930 0.342 -10.897 1.00 0.00 H new ATOM 0 HA LEU B 14 -2.798 2.292 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU B 14 0.155 2.315 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.143 3.023 -8.218 1.00 0.00 H new ATOM 0 HG LEU B 14 -0.550 0.056 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU B 14 0.193 0.275 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU B 14 1.179 1.267 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -0.067 2.033 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -2.175 -0.175 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.531 1.566 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -2.926 0.495 -8.062 1.00 0.00 H new ATOM 1500 N ALA B 15 -2.086 4.036 -11.320 1.00 0.00 N ATOM 1501 CA ALA B 15 -1.748 4.970 -12.385 1.00 0.00 C ATOM 1502 C ALA B 15 -0.745 6.014 -11.921 1.00 0.00 C ATOM 1503 O ALA B 15 -1.109 7.134 -11.563 1.00 0.00 O ATOM 1504 CB ALA B 15 -3.003 5.635 -12.930 1.00 0.00 C ATOM 0 H ALA B 15 -2.910 4.288 -10.774 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.278 4.400 -13.187 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -2.731 6.329 -13.725 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -3.675 4.874 -13.327 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.504 6.179 -12.129 1.00 0.00 H new ATOM 1510 N PHE B 16 0.524 5.627 -11.962 1.00 0.00 N ATOM 1511 CA PHE B 16 1.636 6.488 -11.577 1.00 0.00 C ATOM 1512 C PHE B 16 2.926 5.867 -12.057 1.00 0.00 C ATOM 1513 O PHE B 16 2.930 4.763 -12.583 1.00 0.00 O ATOM 1514 CB PHE B 16 1.709 6.700 -10.061 1.00 0.00 C ATOM 1515 CG PHE B 16 0.473 7.314 -9.465 1.00 0.00 C ATOM 1516 CD1 PHE B 16 -0.561 6.514 -9.003 1.00 0.00 C ATOM 1517 CD2 PHE B 16 0.346 8.690 -9.366 1.00 0.00 C ATOM 1518 CE1 PHE B 16 -1.697 7.077 -8.454 1.00 0.00 C ATOM 1519 CE2 PHE B 16 -0.788 9.258 -8.817 1.00 0.00 C ATOM 1520 CZ PHE B 16 -1.812 8.450 -8.361 1.00 0.00 C ATOM 0 H PHE B 16 0.813 4.697 -12.266 1.00 0.00 H new ATOM 0 HA PHE B 16 1.479 7.463 -12.037 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.893 5.740 -9.579 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.563 7.338 -9.835 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -0.477 5.440 -9.073 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.143 9.326 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.495 6.443 -8.097 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.874 10.332 -8.744 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.700 8.891 -7.933 1.00 0.00 H new ATOM 1530 N ASP B 17 4.012 6.585 -11.893 1.00 0.00 N ATOM 1531 CA ASP B 17 5.319 6.114 -12.318 1.00 0.00 C ATOM 1532 C ASP B 17 6.239 7.293 -12.461 1.00 0.00 C ATOM 1533 O ASP B 17 7.417 7.221 -12.139 1.00 0.00 O ATOM 1534 CB ASP B 17 5.245 5.358 -13.645 1.00 0.00 C ATOM 1535 CG ASP B 17 5.313 3.853 -13.462 1.00 0.00 C ATOM 1536 OD1 ASP B 17 5.246 3.391 -12.304 1.00 0.00 O ATOM 1537 OD2 ASP B 17 5.433 3.138 -14.479 1.00 0.00 O ATOM 0 H ASP B 17 4.020 7.510 -11.463 1.00 0.00 H new ATOM 0 HA ASP B 17 5.696 5.423 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP B 17 4.317 5.617 -14.156 1.00 0.00 H new ATOM 0 HB3 ASP B 17 6.064 5.680 -14.289 1.00 0.00 H new ATOM 1542 N GLU B 18 5.695 8.397 -12.926 1.00 0.00 N ATOM 1543 CA GLU B 18 6.499 9.586 -13.084 1.00 0.00 C ATOM 1544 C GLU B 18 7.329 9.816 -11.822 1.00 0.00 C ATOM 1545 O GLU B 18 8.562 9.760 -11.849 1.00 0.00 O ATOM 1546 CB GLU B 18 5.619 10.802 -13.372 1.00 0.00 C ATOM 1547 CG GLU B 18 6.372 11.959 -14.009 1.00 0.00 C ATOM 1548 CD GLU B 18 7.135 11.545 -15.253 1.00 0.00 C ATOM 1549 OE1 GLU B 18 8.247 10.993 -15.111 1.00 0.00 O ATOM 1550 OE2 GLU B 18 6.621 11.772 -16.368 1.00 0.00 O ATOM 0 H GLU B 18 4.716 8.495 -13.197 1.00 0.00 H new ATOM 0 HA GLU B 18 7.169 9.447 -13.933 1.00 0.00 H new ATOM 0 HB2 GLU B 18 4.804 10.503 -14.031 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.167 11.142 -12.440 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.666 12.749 -14.266 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.069 12.378 -13.283 1.00 0.00 H new ATOM 1557 N ASP B 19 6.637 10.035 -10.709 1.00 0.00 N ATOM 1558 CA ASP B 19 7.306 10.254 -9.433 1.00 0.00 C ATOM 1559 C ASP B 19 7.634 8.938 -8.744 1.00 0.00 C ATOM 1560 O ASP B 19 8.769 8.720 -8.323 1.00 0.00 O ATOM 1561 CB ASP B 19 6.442 11.128 -8.521 1.00 0.00 C ATOM 1562 CG ASP B 19 7.105 12.452 -8.192 1.00 0.00 C ATOM 1563 OD1 ASP B 19 7.065 12.859 -7.012 1.00 0.00 O ATOM 1564 OD2 ASP B 19 7.663 13.082 -9.115 1.00 0.00 O ATOM 0 H ASP B 19 5.618 10.065 -10.665 1.00 0.00 H new ATOM 0 HA ASP B 19 8.245 10.770 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.483 11.315 -9.004 1.00 0.00 H new ATOM 0 HB3 ASP B 19 6.234 10.589 -7.597 1.00 0.00 H new ATOM 1569 N VAL B 20 6.644 8.061 -8.625 1.00 0.00 N ATOM 1570 CA VAL B 20 6.867 6.779 -7.978 1.00 0.00 C ATOM 1571 C VAL B 20 7.967 5.996 -8.690 1.00 0.00 C ATOM 1572 O VAL B 20 8.854 5.452 -8.042 1.00 0.00 O ATOM 1573 CB VAL B 20 5.576 5.936 -7.890 1.00 0.00 C ATOM 1574 CG1 VAL B 20 4.458 6.744 -7.253 1.00 0.00 C ATOM 1575 CG2 VAL B 20 5.155 5.435 -9.257 1.00 0.00 C ATOM 0 H VAL B 20 5.694 8.213 -8.963 1.00 0.00 H new ATOM 0 HA VAL B 20 7.188 6.990 -6.958 1.00 0.00 H new ATOM 0 HB VAL B 20 5.782 5.068 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.555 6.136 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL B 20 4.754 7.045 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.262 7.631 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.243 4.845 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL B 20 4.971 6.284 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL B 20 5.947 4.815 -9.677 1.00 0.00 H new ATOM 1585 N TYR B 21 7.930 5.957 -10.025 1.00 0.00 N ATOM 1586 CA TYR B 21 8.963 5.245 -10.777 1.00 0.00 C ATOM 1587 C TYR B 21 10.319 5.900 -10.553 1.00 0.00 C ATOM 1588 O TYR B 21 11.298 5.214 -10.256 1.00 0.00 O ATOM 1589 CB TYR B 21 8.649 5.179 -12.280 1.00 0.00 C ATOM 1590 CG TYR B 21 9.370 4.063 -13.011 1.00 0.00 C ATOM 1591 CD1 TYR B 21 9.785 4.231 -14.326 1.00 0.00 C ATOM 1592 CD2 TYR B 21 9.636 2.848 -12.390 1.00 0.00 C ATOM 1593 CE1 TYR B 21 10.444 3.222 -15.001 1.00 0.00 C ATOM 1594 CE2 TYR B 21 10.295 1.834 -13.059 1.00 0.00 C ATOM 1595 CZ TYR B 21 10.696 2.025 -14.365 1.00 0.00 C ATOM 1596 OH TYR B 21 11.352 1.018 -15.033 1.00 0.00 O ATOM 0 H TYR B 21 7.211 6.401 -10.596 1.00 0.00 H new ATOM 0 HA TYR B 21 8.986 4.220 -10.406 1.00 0.00 H new ATOM 0 HB2 TYR B 21 7.575 5.051 -12.411 1.00 0.00 H new ATOM 0 HB3 TYR B 21 8.915 6.131 -12.739 1.00 0.00 H new ATOM 0 HD1 TYR B 21 9.589 5.166 -14.829 1.00 0.00 H new ATOM 0 HD2 TYR B 21 9.323 2.694 -11.368 1.00 0.00 H new ATOM 0 HE1 TYR B 21 10.761 3.370 -16.023 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.495 0.896 -12.562 1.00 0.00 H new ATOM 0 HH TYR B 21 11.450 0.243 -14.441 1.00 0.00 H new ATOM 1606 N HIS B 22 10.388 7.232 -10.675 1.00 0.00 N ATOM 1607 CA HIS B 22 11.654 7.923 -10.454 1.00 0.00 C ATOM 1608 C HIS B 22 12.129 7.688 -9.027 1.00 0.00 C ATOM 1609 O HIS B 22 13.264 7.273 -8.805 1.00 0.00 O ATOM 1610 CB HIS B 22 11.518 9.422 -10.729 1.00 0.00 C ATOM 1611 CG HIS B 22 12.340 9.896 -11.887 1.00 0.00 C ATOM 1612 ND1 HIS B 22 11.788 10.357 -13.064 1.00 0.00 N ATOM 1613 CD2 HIS B 22 13.683 9.980 -12.045 1.00 0.00 C ATOM 1614 CE1 HIS B 22 12.755 10.704 -13.896 1.00 0.00 C ATOM 1615 NE2 HIS B 22 13.913 10.486 -13.301 1.00 0.00 N ATOM 0 H HIS B 22 9.602 7.835 -10.919 1.00 0.00 H new ATOM 0 HA HIS B 22 12.392 7.520 -11.148 1.00 0.00 H new ATOM 0 HB2 HIS B 22 10.470 9.654 -10.919 1.00 0.00 H new ATOM 0 HB3 HIS B 22 11.810 9.975 -9.836 1.00 0.00 H new ATOM 0 HD2 HIS B 22 14.433 9.701 -11.319 1.00 0.00 H new ATOM 0 HE1 HIS B 22 12.621 11.098 -14.892 1.00 0.00 H new ATOM 0 HE2 HIS B 22 14.831 10.665 -13.708 1.00 0.00 H new ATOM 1624 N THR B 23 11.251 7.934 -8.058 1.00 0.00 N ATOM 1625 CA THR B 23 11.604 7.717 -6.661 1.00 0.00 C ATOM 1626 C THR B 23 11.968 6.254 -6.441 1.00 0.00 C ATOM 1627 O THR B 23 12.927 5.940 -5.741 1.00 0.00 O ATOM 1628 CB THR B 23 10.461 8.110 -5.734 1.00 0.00 C ATOM 1629 OG1 THR B 23 9.262 7.455 -6.106 1.00 0.00 O ATOM 1630 CG2 THR B 23 10.187 9.598 -5.712 1.00 0.00 C ATOM 0 H THR B 23 10.304 8.279 -8.212 1.00 0.00 H new ATOM 0 HA THR B 23 12.462 8.347 -6.427 1.00 0.00 H new ATOM 0 HB THR B 23 10.783 7.805 -4.739 1.00 0.00 H new ATOM 0 HG1 THR B 23 8.959 7.795 -6.974 1.00 0.00 H new ATOM 0 HG21 THR B 23 9.361 9.806 -5.031 1.00 0.00 H new ATOM 0 HG22 THR B 23 11.078 10.127 -5.374 1.00 0.00 H new ATOM 0 HG23 THR B 23 9.924 9.934 -6.715 1.00 0.00 H new ATOM 1638 N LEU B 24 11.211 5.359 -7.070 1.00 0.00 N ATOM 1639 CA LEU B 24 11.484 3.931 -6.962 1.00 0.00 C ATOM 1640 C LEU B 24 12.901 3.640 -7.443 1.00 0.00 C ATOM 1641 O LEU B 24 13.470 2.593 -7.137 1.00 0.00 O ATOM 1642 CB LEU B 24 10.475 3.116 -7.776 1.00 0.00 C ATOM 1643 CG LEU B 24 9.398 2.410 -6.947 1.00 0.00 C ATOM 1644 CD1 LEU B 24 10.030 1.623 -5.811 1.00 0.00 C ATOM 1645 CD2 LEU B 24 8.395 3.412 -6.401 1.00 0.00 C ATOM 0 H LEU B 24 10.410 5.596 -7.655 1.00 0.00 H new ATOM 0 HA LEU B 24 11.389 3.640 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.987 3.779 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU B 24 11.017 2.367 -8.354 1.00 0.00 H new ATOM 0 HG LEU B 24 8.869 1.715 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.250 1.128 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.708 0.874 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.586 2.301 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.639 2.888 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.910 4.133 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.915 3.934 -7.229 1.00 0.00 H new ATOM 1657 N LYS B 25 13.465 4.579 -8.201 1.00 0.00 N ATOM 1658 CA LYS B 25 14.809 4.428 -8.727 1.00 0.00 C ATOM 1659 C LYS B 25 15.853 4.464 -7.616 1.00 0.00 C ATOM 1660 O LYS B 25 16.732 3.603 -7.562 1.00 0.00 O ATOM 1661 CB LYS B 25 15.109 5.512 -9.763 1.00 0.00 C ATOM 1662 CG LYS B 25 16.328 5.215 -10.621 1.00 0.00 C ATOM 1663 CD LYS B 25 16.228 3.850 -11.283 1.00 0.00 C ATOM 1664 CE LYS B 25 17.073 2.816 -10.558 1.00 0.00 C ATOM 1665 NZ LYS B 25 17.134 1.528 -11.303 1.00 0.00 N ATOM 0 H LYS B 25 13.006 5.452 -8.462 1.00 0.00 H new ATOM 0 HA LYS B 25 14.862 3.452 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.241 5.634 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.259 6.462 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS B 25 16.431 5.984 -11.386 1.00 0.00 H new ATOM 0 HG3 LYS B 25 17.226 5.256 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.187 3.526 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS B 25 16.552 3.923 -12.321 1.00 0.00 H new ATOM 0 HE2 LYS B 25 18.082 3.204 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS B 25 16.660 2.642 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 17.720 0.849 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.174 1.145 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 17.552 1.689 -12.242 1.00 0.00 H new ATOM 1679 N LEU B 26 15.765 5.453 -6.726 1.00 0.00 N ATOM 1680 CA LEU B 26 16.731 5.546 -5.635 1.00 0.00 C ATOM 1681 C LEU B 26 16.523 4.398 -4.656 1.00 0.00 C ATOM 1682 O LEU B 26 17.479 3.752 -4.238 1.00 0.00 O ATOM 1683 CB LEU B 26 16.661 6.901 -4.927 1.00 0.00 C ATOM 1684 CG LEU B 26 15.269 7.345 -4.515 1.00 0.00 C ATOM 1685 CD1 LEU B 26 14.882 6.698 -3.199 1.00 0.00 C ATOM 1686 CD2 LEU B 26 15.198 8.862 -4.416 1.00 0.00 C ATOM 0 H LEU B 26 15.053 6.183 -6.738 1.00 0.00 H new ATOM 0 HA LEU B 26 17.732 5.465 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU B 26 17.290 6.861 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 26 17.087 7.659 -5.585 1.00 0.00 H new ATOM 0 HG LEU B 26 14.559 7.025 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.882 7.024 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU B 26 14.893 5.614 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU B 26 15.593 6.991 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.192 9.161 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.914 9.212 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.436 9.301 -5.385 1.00 0.00 H new ATOM 1698 N VAL B 27 15.268 4.135 -4.320 1.00 0.00 N ATOM 1699 CA VAL B 27 14.929 3.040 -3.412 1.00 0.00 C ATOM 1700 C VAL B 27 15.311 1.706 -4.010 1.00 0.00 C ATOM 1701 O VAL B 27 15.835 0.837 -3.321 1.00 0.00 O ATOM 1702 CB VAL B 27 13.427 2.991 -3.078 1.00 0.00 C ATOM 1703 CG1 VAL B 27 13.169 3.525 -1.688 1.00 0.00 C ATOM 1704 CG2 VAL B 27 12.626 3.748 -4.090 1.00 0.00 C ATOM 0 H VAL B 27 14.465 4.663 -4.661 1.00 0.00 H new ATOM 0 HA VAL B 27 15.491 3.230 -2.497 1.00 0.00 H new ATOM 0 HB VAL B 27 13.111 1.948 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL B 27 12.101 3.481 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL B 27 13.711 2.921 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL B 27 13.509 4.559 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.569 3.697 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL B 27 12.947 4.790 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL B 27 12.778 3.310 -5.076 1.00 0.00 H new ATOM 1714 N SER B 28 15.029 1.527 -5.289 1.00 0.00 N ATOM 1715 CA SER B 28 15.341 0.267 -5.926 1.00 0.00 C ATOM 1716 C SER B 28 16.843 0.024 -5.954 1.00 0.00 C ATOM 1717 O SER B 28 17.298 -1.110 -5.799 1.00 0.00 O ATOM 1718 CB SER B 28 14.761 0.210 -7.340 1.00 0.00 C ATOM 1719 OG SER B 28 15.309 1.229 -8.159 1.00 0.00 O ATOM 0 H SER B 28 14.594 2.224 -5.893 1.00 0.00 H new ATOM 0 HA SER B 28 14.881 -0.525 -5.336 1.00 0.00 H new ATOM 0 HB2 SER B 28 14.967 -0.765 -7.781 1.00 0.00 H new ATOM 0 HB3 SER B 28 13.677 0.318 -7.296 1.00 0.00 H new ATOM 0 HG SER B 28 15.056 2.106 -7.803 1.00 0.00 H new ATOM 1725 N VAL B 29 17.606 1.095 -6.140 1.00 0.00 N ATOM 1726 CA VAL B 29 19.054 1.003 -6.179 1.00 0.00 C ATOM 1727 C VAL B 29 19.617 0.952 -4.765 1.00 0.00 C ATOM 1728 O VAL B 29 20.470 0.124 -4.447 1.00 0.00 O ATOM 1729 CB VAL B 29 19.647 2.207 -6.949 1.00 0.00 C ATOM 1730 CG1 VAL B 29 20.498 3.098 -6.057 1.00 0.00 C ATOM 1731 CG2 VAL B 29 20.444 1.733 -8.155 1.00 0.00 C ATOM 0 H VAL B 29 17.241 2.039 -6.266 1.00 0.00 H new ATOM 0 HA VAL B 29 19.332 0.086 -6.699 1.00 0.00 H new ATOM 0 HB VAL B 29 18.809 2.810 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL B 29 20.892 3.929 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL B 29 19.887 3.486 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL B 29 21.325 2.519 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL B 29 20.852 2.595 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL B 29 21.260 1.091 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL B 29 19.792 1.173 -8.825 1.00 0.00 H new ATOM 1741 N TYR B 30 19.128 1.853 -3.925 1.00 0.00 N ATOM 1742 CA TYR B 30 19.576 1.932 -2.541 1.00 0.00 C ATOM 1743 C TYR B 30 19.044 0.766 -1.715 1.00 0.00 C ATOM 1744 O TYR B 30 19.645 0.396 -0.706 1.00 0.00 O ATOM 1745 CB TYR B 30 19.141 3.255 -1.904 1.00 0.00 C ATOM 1746 CG TYR B 30 20.043 4.420 -2.250 1.00 0.00 C ATOM 1747 CD1 TYR B 30 21.369 4.442 -1.837 1.00 0.00 C ATOM 1748 CD2 TYR B 30 19.566 5.497 -2.985 1.00 0.00 C ATOM 1749 CE1 TYR B 30 22.195 5.506 -2.147 1.00 0.00 C ATOM 1750 CE2 TYR B 30 20.387 6.564 -3.301 1.00 0.00 C ATOM 1751 CZ TYR B 30 21.699 6.564 -2.880 1.00 0.00 C ATOM 1752 OH TYR B 30 22.519 7.625 -3.192 1.00 0.00 O ATOM 0 H TYR B 30 18.419 2.541 -4.178 1.00 0.00 H new ATOM 0 HA TYR B 30 20.665 1.880 -2.550 1.00 0.00 H new ATOM 0 HB2 TYR B 30 18.125 3.486 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR B 30 19.115 3.136 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR B 30 21.761 3.614 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR B 30 18.538 5.502 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR B 30 23.223 5.509 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR B 30 20.002 7.394 -3.875 1.00 0.00 H new ATOM 0 HH TYR B 30 22.016 8.285 -3.713 1.00 0.00 H new ATOM 1762 N LEU B 31 17.920 0.181 -2.134 1.00 0.00 N ATOM 1763 CA LEU B 31 17.350 -0.939 -1.398 1.00 0.00 C ATOM 1764 C LEU B 31 17.520 -2.240 -2.177 1.00 0.00 C ATOM 1765 O LEU B 31 17.170 -3.314 -1.686 1.00 0.00 O ATOM 1766 CB LEU B 31 15.859 -0.704 -1.102 1.00 0.00 C ATOM 1767 CG LEU B 31 15.452 0.695 -0.593 1.00 0.00 C ATOM 1768 CD1 LEU B 31 14.424 0.574 0.523 1.00 0.00 C ATOM 1769 CD2 LEU B 31 16.651 1.503 -0.110 1.00 0.00 C ATOM 0 H LEU B 31 17.398 0.461 -2.964 1.00 0.00 H new ATOM 0 HA LEU B 31 17.886 -1.018 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU B 31 15.298 -0.908 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU B 31 15.542 -1.438 -0.361 1.00 0.00 H new ATOM 0 HG LEU B 31 15.013 1.229 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU B 31 14.147 1.569 0.872 1.00 0.00 H new ATOM 0 HD12 LEU B 31 13.538 0.061 0.148 1.00 0.00 H new ATOM 0 HD13 LEU B 31 14.850 0.005 1.350 1.00 0.00 H new ATOM 0 HD21 LEU B 31 16.315 2.480 0.238 1.00 0.00 H new ATOM 0 HD22 LEU B 31 17.140 0.974 0.708 1.00 0.00 H new ATOM 0 HD23 LEU B 31 17.356 1.634 -0.931 1.00 0.00 H new ATOM 1781 N ASN B 32 18.045 -2.143 -3.400 1.00 0.00 N ATOM 1782 CA ASN B 32 18.239 -3.321 -4.238 1.00 0.00 C ATOM 1783 C ASN B 32 16.927 -4.082 -4.365 1.00 0.00 C ATOM 1784 O ASN B 32 16.906 -5.312 -4.402 1.00 0.00 O ATOM 1785 CB ASN B 32 19.316 -4.231 -3.646 1.00 0.00 C ATOM 1786 CG ASN B 32 20.714 -3.826 -4.073 1.00 0.00 C ATOM 1787 OD1 ASN B 32 20.918 -3.324 -5.178 1.00 0.00 O ATOM 1788 ND2 ASN B 32 21.687 -4.043 -3.195 1.00 0.00 N ATOM 0 H ASN B 32 18.341 -1.265 -3.827 1.00 0.00 H new ATOM 0 HA ASN B 32 18.566 -2.998 -5.226 1.00 0.00 H new ATOM 0 HB2 ASN B 32 19.250 -4.207 -2.558 1.00 0.00 H new ATOM 0 HB3 ASN B 32 19.129 -5.260 -3.954 1.00 0.00 H new ATOM 0 HD21 ASN B 32 22.648 -3.791 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN B 32 21.473 -4.462 -2.290 1.00 0.00 H new ATOM 1795 N ARG B 33 15.832 -3.332 -4.413 1.00 0.00 N ATOM 1796 CA ARG B 33 14.504 -3.925 -4.513 1.00 0.00 C ATOM 1797 C ARG B 33 13.731 -3.367 -5.700 1.00 0.00 C ATOM 1798 O ARG B 33 13.697 -2.157 -5.916 1.00 0.00 O ATOM 1799 CB ARG B 33 13.718 -3.663 -3.226 1.00 0.00 C ATOM 1800 CG ARG B 33 14.228 -4.451 -2.031 1.00 0.00 C ATOM 1801 CD ARG B 33 13.142 -4.648 -0.985 1.00 0.00 C ATOM 1802 NE ARG B 33 13.144 -6.006 -0.445 1.00 0.00 N ATOM 1803 CZ ARG B 33 13.999 -6.435 0.480 1.00 0.00 C ATOM 1804 NH1 ARG B 33 14.921 -5.617 0.973 1.00 0.00 N ATOM 1805 NH2 ARG B 33 13.933 -7.686 0.914 1.00 0.00 N ATOM 0 H ARG B 33 15.838 -2.312 -4.384 1.00 0.00 H new ATOM 0 HA ARG B 33 14.629 -4.998 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG B 33 13.761 -2.599 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG B 33 12.670 -3.911 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG B 33 14.593 -5.422 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG B 33 15.074 -3.928 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG B 33 13.286 -3.935 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG B 33 12.169 -4.435 -1.428 1.00 0.00 H new ATOM 0 HE ARG B 33 12.449 -6.664 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG B 33 14.977 -4.653 0.643 1.00 0.00 H new ATOM 0 HH12 ARG B 33 15.573 -5.952 1.682 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.227 -8.319 0.539 1.00 0.00 H new ATOM 0 HH22 ARG B 33 14.588 -8.015 1.623 1.00 0.00 H new ATOM 1819 N ASP B 34 13.087 -4.251 -6.456 1.00 0.00 N ATOM 1820 CA ASP B 34 12.294 -3.826 -7.602 1.00 0.00 C ATOM 1821 C ASP B 34 11.277 -2.782 -7.159 1.00 0.00 C ATOM 1822 O ASP B 34 11.011 -2.638 -5.966 1.00 0.00 O ATOM 1823 CB ASP B 34 11.581 -5.023 -8.236 1.00 0.00 C ATOM 1824 CG ASP B 34 12.347 -5.595 -9.412 1.00 0.00 C ATOM 1825 OD1 ASP B 34 13.291 -6.378 -9.182 1.00 0.00 O ATOM 1826 OD2 ASP B 34 12.002 -5.259 -10.566 1.00 0.00 O ATOM 0 H ASP B 34 13.099 -5.258 -6.297 1.00 0.00 H new ATOM 0 HA ASP B 34 12.957 -3.389 -8.349 1.00 0.00 H new ATOM 0 HB2 ASP B 34 11.442 -5.800 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP B 34 10.588 -4.718 -8.566 1.00 0.00 H new ATOM 1831 N MET B 35 10.715 -2.047 -8.108 1.00 0.00 N ATOM 1832 CA MET B 35 9.745 -1.024 -7.777 1.00 0.00 C ATOM 1833 C MET B 35 8.533 -1.641 -7.082 1.00 0.00 C ATOM 1834 O MET B 35 7.992 -1.073 -6.134 1.00 0.00 O ATOM 1835 CB MET B 35 9.327 -0.265 -9.039 1.00 0.00 C ATOM 1836 CG MET B 35 7.839 0.006 -9.113 1.00 0.00 C ATOM 1837 SD MET B 35 7.393 1.158 -10.425 1.00 0.00 S ATOM 1838 CE MET B 35 7.331 0.059 -11.837 1.00 0.00 C ATOM 0 H MET B 35 10.914 -2.142 -9.104 1.00 0.00 H new ATOM 0 HA MET B 35 10.203 -0.315 -7.087 1.00 0.00 H new ATOM 0 HB2 MET B 35 9.864 0.683 -9.078 1.00 0.00 H new ATOM 0 HB3 MET B 35 9.628 -0.839 -9.916 1.00 0.00 H new ATOM 0 HG2 MET B 35 7.312 -0.935 -9.270 1.00 0.00 H new ATOM 0 HG3 MET B 35 7.501 0.405 -8.157 1.00 0.00 H new ATOM 0 HE1 MET B 35 6.980 0.609 -12.711 1.00 0.00 H new ATOM 0 HE2 MET B 35 8.327 -0.338 -12.033 1.00 0.00 H new ATOM 0 HE3 MET B 35 6.648 -0.764 -11.628 1.00 0.00 H new ATOM 1848 N THR B 36 8.111 -2.805 -7.563 1.00 0.00 N ATOM 1849 CA THR B 36 6.963 -3.496 -6.990 1.00 0.00 C ATOM 1850 C THR B 36 7.288 -4.017 -5.594 1.00 0.00 C ATOM 1851 O THR B 36 6.416 -4.082 -4.727 1.00 0.00 O ATOM 1852 CB THR B 36 6.527 -4.648 -7.903 1.00 0.00 C ATOM 1853 OG1 THR B 36 6.907 -4.394 -9.244 1.00 0.00 O ATOM 1854 CG2 THR B 36 5.037 -4.907 -7.893 1.00 0.00 C ATOM 0 H THR B 36 8.547 -3.289 -8.348 1.00 0.00 H new ATOM 0 HA THR B 36 6.141 -2.786 -6.906 1.00 0.00 H new ATOM 0 HB THR B 36 7.029 -5.529 -7.503 1.00 0.00 H new ATOM 0 HG1 THR B 36 6.622 -5.140 -9.812 1.00 0.00 H new ATOM 0 HG21 THR B 36 4.807 -5.736 -8.563 1.00 0.00 H new ATOM 0 HG22 THR B 36 4.718 -5.159 -6.882 1.00 0.00 H new ATOM 0 HG23 THR B 36 4.510 -4.013 -8.228 1.00 0.00 H new ATOM 1862 N GLU B 37 8.548 -4.376 -5.378 1.00 0.00 N ATOM 1863 CA GLU B 37 8.984 -4.878 -4.081 1.00 0.00 C ATOM 1864 C GLU B 37 9.097 -3.734 -3.078 1.00 0.00 C ATOM 1865 O GLU B 37 8.834 -3.908 -1.888 1.00 0.00 O ATOM 1866 CB GLU B 37 10.330 -5.596 -4.214 1.00 0.00 C ATOM 1867 CG GLU B 37 10.214 -7.113 -4.196 1.00 0.00 C ATOM 1868 CD GLU B 37 10.480 -7.734 -5.553 1.00 0.00 C ATOM 1869 OE1 GLU B 37 9.578 -8.418 -6.080 1.00 0.00 O ATOM 1870 OE2 GLU B 37 11.592 -7.538 -6.088 1.00 0.00 O ATOM 0 H GLU B 37 9.284 -4.329 -6.083 1.00 0.00 H new ATOM 0 HA GLU B 37 8.241 -5.588 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU B 37 10.807 -5.287 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU B 37 10.983 -5.280 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU B 37 10.919 -7.519 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU B 37 9.215 -7.393 -3.862 1.00 0.00 H new ATOM 1877 N ILE B 38 9.486 -2.563 -3.571 1.00 0.00 N ATOM 1878 CA ILE B 38 9.633 -1.383 -2.728 1.00 0.00 C ATOM 1879 C ILE B 38 8.285 -0.707 -2.493 1.00 0.00 C ATOM 1880 O ILE B 38 7.944 -0.370 -1.361 1.00 0.00 O ATOM 1881 CB ILE B 38 10.606 -0.363 -3.361 1.00 0.00 C ATOM 1882 CG1 ILE B 38 12.070 -0.756 -3.120 1.00 0.00 C ATOM 1883 CG2 ILE B 38 10.363 1.036 -2.822 1.00 0.00 C ATOM 1884 CD1 ILE B 38 12.371 -1.115 -1.679 1.00 0.00 C ATOM 0 H ILE B 38 9.706 -2.406 -4.555 1.00 0.00 H new ATOM 0 HA ILE B 38 10.039 -1.719 -1.774 1.00 0.00 H new ATOM 0 HB ILE B 38 10.415 -0.369 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.320 -1.605 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE B 38 12.714 0.070 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.063 1.731 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.342 1.342 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.510 1.040 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.423 -1.382 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE B 38 12.153 -0.261 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE B 38 11.753 -1.961 -1.378 1.00 0.00 H new ATOM 1896 N ILE B 39 7.518 -0.504 -3.565 1.00 0.00 N ATOM 1897 CA ILE B 39 6.215 0.136 -3.440 1.00 0.00 C ATOM 1898 C ILE B 39 5.318 -0.677 -2.527 1.00 0.00 C ATOM 1899 O ILE B 39 4.506 -0.132 -1.779 1.00 0.00 O ATOM 1900 CB ILE B 39 5.517 0.290 -4.804 1.00 0.00 C ATOM 1901 CG1 ILE B 39 5.211 -1.086 -5.391 1.00 0.00 C ATOM 1902 CG2 ILE B 39 6.378 1.102 -5.757 1.00 0.00 C ATOM 1903 CD1 ILE B 39 3.798 -1.553 -5.121 1.00 0.00 C ATOM 0 H ILE B 39 7.775 -0.770 -4.516 1.00 0.00 H new ATOM 0 HA ILE B 39 6.386 1.128 -3.021 1.00 0.00 H new ATOM 0 HB ILE B 39 4.578 0.825 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE B 39 5.377 -1.059 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE B 39 5.911 -1.813 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE B 39 5.868 1.200 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.552 2.092 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE B 39 7.333 0.597 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.649 -2.537 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.634 -1.612 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE B 39 3.092 -0.847 -5.557 1.00 0.00 H new ATOM 1915 N GLU B 40 5.475 -1.994 -2.596 1.00 0.00 N ATOM 1916 CA GLU B 40 4.687 -2.891 -1.779 1.00 0.00 C ATOM 1917 C GLU B 40 5.305 -3.037 -0.398 1.00 0.00 C ATOM 1918 O GLU B 40 4.608 -3.334 0.572 1.00 0.00 O ATOM 1919 CB GLU B 40 4.566 -4.262 -2.446 1.00 0.00 C ATOM 1920 CG GLU B 40 3.691 -5.237 -1.677 1.00 0.00 C ATOM 1921 CD GLU B 40 4.399 -5.850 -0.485 1.00 0.00 C ATOM 1922 OE1 GLU B 40 3.893 -5.700 0.646 1.00 0.00 O ATOM 1923 OE2 GLU B 40 5.460 -6.478 -0.683 1.00 0.00 O ATOM 0 H GLU B 40 6.143 -2.458 -3.212 1.00 0.00 H new ATOM 0 HA GLU B 40 3.689 -2.465 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.159 -4.134 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU B 40 5.562 -4.691 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU B 40 2.794 -4.721 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU B 40 3.365 -6.032 -2.348 1.00 0.00 H new ATOM 1930 N GLU B 41 6.613 -2.812 -0.300 1.00 0.00 N ATOM 1931 CA GLU B 41 7.283 -2.911 0.987 1.00 0.00 C ATOM 1932 C GLU B 41 7.138 -1.601 1.750 1.00 0.00 C ATOM 1933 O GLU B 41 7.080 -1.585 2.981 1.00 0.00 O ATOM 1934 CB GLU B 41 8.761 -3.260 0.805 1.00 0.00 C ATOM 1935 CG GLU B 41 9.534 -3.339 2.111 1.00 0.00 C ATOM 1936 CD GLU B 41 10.792 -4.178 1.996 1.00 0.00 C ATOM 1937 OE1 GLU B 41 10.759 -5.202 1.282 1.00 0.00 O ATOM 1938 OE2 GLU B 41 11.810 -3.809 2.619 1.00 0.00 O ATOM 0 H GLU B 41 7.218 -2.564 -1.083 1.00 0.00 H new ATOM 0 HA GLU B 41 6.814 -3.710 1.561 1.00 0.00 H new ATOM 0 HB2 GLU B 41 8.839 -4.217 0.288 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.226 -2.512 0.162 1.00 0.00 H new ATOM 0 HG2 GLU B 41 9.802 -2.332 2.432 1.00 0.00 H new ATOM 0 HG3 GLU B 41 8.891 -3.759 2.884 1.00 0.00 H new ATOM 1945 N ALA B 42 7.064 -0.503 1.005 1.00 0.00 N ATOM 1946 CA ALA B 42 6.913 0.816 1.604 1.00 0.00 C ATOM 1947 C ALA B 42 5.477 1.038 2.058 1.00 0.00 C ATOM 1948 O ALA B 42 5.229 1.617 3.115 1.00 0.00 O ATOM 1949 CB ALA B 42 7.331 1.894 0.616 1.00 0.00 C ATOM 0 H ALA B 42 7.106 -0.501 -0.014 1.00 0.00 H new ATOM 0 HA ALA B 42 7.561 0.874 2.479 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.213 2.875 1.076 1.00 0.00 H new ATOM 0 HB2 ALA B 42 8.374 1.747 0.337 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.705 1.834 -0.275 1.00 0.00 H new ATOM 1955 N VAL B 43 4.532 0.571 1.248 1.00 0.00 N ATOM 1956 CA VAL B 43 3.115 0.714 1.560 1.00 0.00 C ATOM 1957 C VAL B 43 2.780 0.077 2.892 1.00 0.00 C ATOM 1958 O VAL B 43 2.339 0.743 3.828 1.00 0.00 O ATOM 1959 CB VAL B 43 2.221 0.059 0.477 1.00 0.00 C ATOM 1960 CG1 VAL B 43 2.698 -1.331 0.124 1.00 0.00 C ATOM 1961 CG2 VAL B 43 0.778 -0.010 0.936 1.00 0.00 C ATOM 0 H VAL B 43 4.723 0.090 0.369 1.00 0.00 H new ATOM 0 HA VAL B 43 2.917 1.785 1.598 1.00 0.00 H new ATOM 0 HB VAL B 43 2.290 0.687 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL B 43 2.046 -1.757 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL B 43 3.718 -1.280 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.675 -1.960 1.014 1.00 0.00 H new ATOM 0 HG21 VAL B 43 0.171 -0.474 0.159 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.714 -0.603 1.848 1.00 0.00 H new ATOM 0 HG23 VAL B 43 0.410 0.997 1.132 1.00 0.00 H new ATOM 1971 N VAL B 44 2.983 -1.222 2.951 1.00 0.00 N ATOM 1972 CA VAL B 44 2.699 -1.990 4.144 1.00 0.00 C ATOM 1973 C VAL B 44 3.449 -1.424 5.336 1.00 0.00 C ATOM 1974 O VAL B 44 2.861 -1.145 6.377 1.00 0.00 O ATOM 1975 CB VAL B 44 3.067 -3.469 3.921 1.00 0.00 C ATOM 1976 CG1 VAL B 44 3.668 -4.101 5.173 1.00 0.00 C ATOM 1977 CG2 VAL B 44 1.856 -4.257 3.450 1.00 0.00 C ATOM 0 H VAL B 44 3.349 -1.774 2.175 1.00 0.00 H new ATOM 0 HA VAL B 44 1.632 -1.925 4.355 1.00 0.00 H new ATOM 0 HB VAL B 44 3.829 -3.502 3.143 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.913 -5.144 4.972 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.573 -3.563 5.453 1.00 0.00 H new ATOM 0 HG13 VAL B 44 2.947 -4.048 5.989 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.137 -5.299 3.298 1.00 0.00 H new ATOM 0 HG22 VAL B 44 1.069 -4.199 4.202 1.00 0.00 H new ATOM 0 HG23 VAL B 44 1.492 -3.839 2.511 1.00 0.00 H new ATOM 1987 N MET B 45 4.749 -1.246 5.176 1.00 0.00 N ATOM 1988 CA MET B 45 5.561 -0.704 6.250 1.00 0.00 C ATOM 1989 C MET B 45 5.027 0.651 6.690 1.00 0.00 C ATOM 1990 O MET B 45 5.136 1.013 7.860 1.00 0.00 O ATOM 1991 CB MET B 45 7.021 -0.582 5.816 1.00 0.00 C ATOM 1992 CG MET B 45 7.988 -0.486 6.982 1.00 0.00 C ATOM 1993 SD MET B 45 8.127 1.189 7.634 1.00 0.00 S ATOM 1994 CE MET B 45 8.827 0.870 9.252 1.00 0.00 C ATOM 0 H MET B 45 5.260 -1.467 4.321 1.00 0.00 H new ATOM 0 HA MET B 45 5.509 -1.391 7.095 1.00 0.00 H new ATOM 0 HB2 MET B 45 7.284 -1.445 5.205 1.00 0.00 H new ATOM 0 HB3 MET B 45 7.133 0.301 5.186 1.00 0.00 H new ATOM 0 HG2 MET B 45 7.659 -1.155 7.777 1.00 0.00 H new ATOM 0 HG3 MET B 45 8.972 -0.830 6.662 1.00 0.00 H new ATOM 0 HE1 MET B 45 8.135 1.212 10.022 1.00 0.00 H new ATOM 0 HE2 MET B 45 9.000 -0.200 9.369 1.00 0.00 H new ATOM 0 HE3 MET B 45 9.772 1.403 9.351 1.00 0.00 H new ATOM 2004 N TRP B 46 4.430 1.396 5.758 1.00 0.00 N ATOM 2005 CA TRP B 46 3.873 2.696 6.097 1.00 0.00 C ATOM 2006 C TRP B 46 2.657 2.516 6.993 1.00 0.00 C ATOM 2007 O TRP B 46 2.615 3.034 8.108 1.00 0.00 O ATOM 2008 CB TRP B 46 3.487 3.474 4.840 1.00 0.00 C ATOM 2009 CG TRP B 46 2.858 4.799 5.145 1.00 0.00 C ATOM 2010 CD1 TRP B 46 1.528 5.103 5.105 1.00 0.00 C ATOM 2011 CD2 TRP B 46 3.532 5.996 5.551 1.00 0.00 C ATOM 2012 NE1 TRP B 46 1.333 6.416 5.459 1.00 0.00 N ATOM 2013 CE2 TRP B 46 2.549 6.985 5.736 1.00 0.00 C ATOM 2014 CE3 TRP B 46 4.871 6.326 5.775 1.00 0.00 C ATOM 2015 CZ2 TRP B 46 2.862 8.280 6.136 1.00 0.00 C ATOM 2016 CZ3 TRP B 46 5.182 7.614 6.171 1.00 0.00 C ATOM 2017 CH2 TRP B 46 4.181 8.577 6.348 1.00 0.00 C ATOM 0 H TRP B 46 4.323 1.124 4.781 1.00 0.00 H new ATOM 0 HA TRP B 46 4.634 3.268 6.628 1.00 0.00 H new ATOM 0 HB2 TRP B 46 4.376 3.631 4.229 1.00 0.00 H new ATOM 0 HB3 TRP B 46 2.794 2.876 4.247 1.00 0.00 H new ATOM 0 HD1 TRP B 46 0.743 4.412 4.834 1.00 0.00 H new ATOM 0 HE1 TRP B 46 0.431 6.890 5.508 1.00 0.00 H new ATOM 0 HE3 TRP B 46 5.649 5.589 5.641 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 2.092 9.024 6.274 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 6.214 7.881 6.347 1.00 0.00 H new ATOM 0 HH2 TRP B 46 4.455 9.574 6.658 1.00 0.00 H new ATOM 2028 N LEU B 47 1.674 1.765 6.507 1.00 0.00 N ATOM 2029 CA LEU B 47 0.466 1.510 7.282 1.00 0.00 C ATOM 2030 C LEU B 47 0.819 0.888 8.615 1.00 0.00 C ATOM 2031 O LEU B 47 0.261 1.236 9.656 1.00 0.00 O ATOM 2032 CB LEU B 47 -0.482 0.552 6.560 1.00 0.00 C ATOM 2033 CG LEU B 47 0.167 -0.501 5.661 1.00 0.00 C ATOM 2034 CD1 LEU B 47 0.242 -1.830 6.392 1.00 0.00 C ATOM 2035 CD2 LEU B 47 -0.613 -0.648 4.361 1.00 0.00 C ATOM 0 H LEU B 47 1.690 1.325 5.587 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.027 2.472 7.419 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -1.083 0.037 7.310 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.168 1.143 5.953 1.00 0.00 H new ATOM 0 HG LEU B 47 1.179 -0.178 5.415 1.00 0.00 H new ATOM 0 HD11 LEU B 47 0.705 -2.575 5.745 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.838 -1.714 7.297 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.763 -2.156 6.659 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.136 -1.402 3.734 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.635 -0.954 4.583 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -0.626 0.306 3.835 1.00 0.00 H new ATOM 2047 N ILE B 48 1.730 -0.062 8.562 1.00 0.00 N ATOM 2048 CA ILE B 48 2.155 -0.777 9.737 1.00 0.00 C ATOM 2049 C ILE B 48 2.817 0.140 10.749 1.00 0.00 C ATOM 2050 O ILE B 48 2.554 0.045 11.947 1.00 0.00 O ATOM 2051 CB ILE B 48 3.101 -1.921 9.333 1.00 0.00 C ATOM 2052 CG1 ILE B 48 2.433 -3.256 9.611 1.00 0.00 C ATOM 2053 CG2 ILE B 48 4.440 -1.824 10.046 1.00 0.00 C ATOM 2054 CD1 ILE B 48 1.094 -3.427 8.922 1.00 0.00 C ATOM 0 H ILE B 48 2.193 -0.356 7.702 1.00 0.00 H new ATOM 0 HA ILE B 48 1.271 -1.195 10.219 1.00 0.00 H new ATOM 0 HB ILE B 48 3.304 -1.837 8.265 1.00 0.00 H new ATOM 0 HG12 ILE B 48 3.099 -4.058 9.293 1.00 0.00 H new ATOM 0 HG13 ILE B 48 2.294 -3.365 10.687 1.00 0.00 H new ATOM 0 HG21 ILE B 48 5.079 -2.650 9.734 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.919 -0.878 9.793 1.00 0.00 H new ATOM 0 HG23 ILE B 48 4.283 -1.874 11.123 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.680 -4.405 9.169 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.410 -2.648 9.258 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.228 -3.352 7.843 1.00 0.00 H new ATOM 2066 N GLN B 49 3.681 1.022 10.274 1.00 0.00 N ATOM 2067 CA GLN B 49 4.367 1.932 11.167 1.00 0.00 C ATOM 2068 C GLN B 49 3.503 3.152 11.485 1.00 0.00 C ATOM 2069 O GLN B 49 3.760 3.866 12.453 1.00 0.00 O ATOM 2070 CB GLN B 49 5.711 2.368 10.569 1.00 0.00 C ATOM 2071 CG GLN B 49 5.605 3.474 9.526 1.00 0.00 C ATOM 2072 CD GLN B 49 6.944 4.111 9.214 1.00 0.00 C ATOM 2073 OE1 GLN B 49 7.996 3.501 9.410 1.00 0.00 O ATOM 2074 NE2 GLN B 49 6.914 5.346 8.728 1.00 0.00 N ATOM 0 H GLN B 49 3.920 1.125 9.288 1.00 0.00 H new ATOM 0 HA GLN B 49 4.558 1.402 12.100 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.361 2.707 11.376 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.191 1.501 10.115 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.179 3.065 8.610 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.917 4.240 9.883 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.020 5.815 8.581 1.00 0.00 H new ATOM 0 HE22 GLN B 49 7.785 5.826 8.502 1.00 0.00 H new ATOM 2083 N ASN B 50 2.489 3.400 10.656 1.00 0.00 N ATOM 2084 CA ASN B 50 1.611 4.549 10.855 1.00 0.00 C ATOM 2085 C ASN B 50 0.323 4.168 11.579 1.00 0.00 C ATOM 2086 O ASN B 50 0.027 4.683 12.657 1.00 0.00 O ATOM 2087 CB ASN B 50 1.276 5.198 9.511 1.00 0.00 C ATOM 2088 CG ASN B 50 0.984 6.681 9.642 1.00 0.00 C ATOM 2089 OD1 ASN B 50 0.111 7.088 10.408 1.00 0.00 O ATOM 2090 ND2 ASN B 50 1.715 7.496 8.891 1.00 0.00 N ATOM 0 H ASN B 50 2.258 2.824 9.846 1.00 0.00 H new ATOM 0 HA ASN B 50 2.147 5.261 11.483 1.00 0.00 H new ATOM 0 HB2 ASN B 50 2.109 5.054 8.823 1.00 0.00 H new ATOM 0 HB3 ASN B 50 0.412 4.697 9.074 1.00 0.00 H new ATOM 0 HD21 ASN B 50 1.563 8.504 8.935 1.00 0.00 H new ATOM 0 HD22 ASN B 50 2.428 7.114 8.270 1.00 0.00 H new ATOM 2097 N LYS B 51 -0.446 3.281 10.967 1.00 0.00 N ATOM 2098 CA LYS B 51 -1.719 2.839 11.530 1.00 0.00 C ATOM 2099 C LYS B 51 -1.545 2.203 12.907 1.00 0.00 C ATOM 2100 O LYS B 51 -2.166 2.633 13.879 1.00 0.00 O ATOM 2101 CB LYS B 51 -2.405 1.853 10.583 1.00 0.00 C ATOM 2102 CG LYS B 51 -2.435 2.317 9.133 1.00 0.00 C ATOM 2103 CD LYS B 51 -3.043 3.705 8.994 1.00 0.00 C ATOM 2104 CE LYS B 51 -2.154 4.630 8.176 1.00 0.00 C ATOM 2105 NZ LYS B 51 -1.759 5.843 8.943 1.00 0.00 N ATOM 0 H LYS B 51 -0.211 2.848 10.074 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.345 3.723 11.650 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.891 0.893 10.638 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.427 1.687 10.923 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -1.421 2.323 8.733 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.009 1.608 8.537 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.021 3.628 8.520 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.201 4.134 9.984 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -1.260 4.091 7.864 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.679 4.929 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -1.211 6.479 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -2.612 6.335 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -1.178 5.564 9.759 1.00 0.00 H new ATOM 2119 N GLU B 52 -0.705 1.172 12.986 1.00 0.00 N ATOM 2120 CA GLU B 52 -0.463 0.475 14.250 1.00 0.00 C ATOM 2121 C GLU B 52 -0.240 1.461 15.394 1.00 0.00 C ATOM 2122 O GLU B 52 -0.562 1.174 16.547 1.00 0.00 O ATOM 2123 CB GLU B 52 0.744 -0.455 14.120 1.00 0.00 C ATOM 2124 CG GLU B 52 0.649 -1.699 14.988 1.00 0.00 C ATOM 2125 CD GLU B 52 1.447 -1.578 16.272 1.00 0.00 C ATOM 2126 OE1 GLU B 52 1.002 -0.848 17.182 1.00 0.00 O ATOM 2127 OE2 GLU B 52 2.518 -2.214 16.367 1.00 0.00 O ATOM 0 H GLU B 52 -0.182 0.801 12.193 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.349 -0.117 14.479 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.849 -0.756 13.078 1.00 0.00 H new ATOM 0 HB3 GLU B 52 1.647 0.095 14.386 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.396 -1.889 15.231 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.006 -2.560 14.423 1.00 0.00 H new ATOM 2134 N LYS B 53 0.310 2.624 15.064 1.00 0.00 N ATOM 2135 CA LYS B 53 0.575 3.658 16.058 1.00 0.00 C ATOM 2136 C LYS B 53 -0.071 4.979 15.653 1.00 0.00 C ATOM 2137 O LYS B 53 0.428 6.051 15.993 1.00 0.00 O ATOM 2138 CB LYS B 53 2.082 3.847 16.244 1.00 0.00 C ATOM 2139 CG LYS B 53 2.811 4.232 14.968 1.00 0.00 C ATOM 2140 CD LYS B 53 3.828 5.335 15.216 1.00 0.00 C ATOM 2141 CE LYS B 53 3.278 6.698 14.830 1.00 0.00 C ATOM 2142 NZ LYS B 53 2.833 6.737 13.410 1.00 0.00 N ATOM 0 H LYS B 53 0.582 2.875 14.113 1.00 0.00 H new ATOM 0 HA LYS B 53 0.140 3.336 17.004 1.00 0.00 H new ATOM 0 HB2 LYS B 53 2.253 4.617 16.996 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.510 2.923 16.632 1.00 0.00 H new ATOM 0 HG2 LYS B 53 3.315 3.357 14.558 1.00 0.00 H new ATOM 0 HG3 LYS B 53 2.089 4.563 14.221 1.00 0.00 H new ATOM 0 HD2 LYS B 53 4.111 5.341 16.269 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.733 5.132 14.644 1.00 0.00 H new ATOM 0 HE2 LYS B 53 2.439 6.948 15.480 1.00 0.00 H new ATOM 0 HE3 LYS B 53 4.044 7.457 14.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 2.933 7.704 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 3.418 6.089 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 1.837 6.445 13.350 1.00 0.00 H new ATOM 2156 N LEU B 54 -1.179 4.896 14.917 1.00 0.00 N ATOM 2157 CA LEU B 54 -1.888 6.087 14.453 1.00 0.00 C ATOM 2158 C LEU B 54 -2.218 7.017 15.621 1.00 0.00 C ATOM 2159 O LEU B 54 -3.162 6.770 16.372 1.00 0.00 O ATOM 2160 CB LEU B 54 -3.178 5.687 13.735 1.00 0.00 C ATOM 2161 CG LEU B 54 -3.930 6.841 13.067 1.00 0.00 C ATOM 2162 CD1 LEU B 54 -4.488 6.407 11.720 1.00 0.00 C ATOM 2163 CD2 LEU B 54 -5.045 7.344 13.971 1.00 0.00 C ATOM 0 H LEU B 54 -1.605 4.015 14.629 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.237 6.618 13.759 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -2.938 4.942 12.976 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -3.843 5.208 14.454 1.00 0.00 H new ATOM 0 HG LEU B 54 -3.228 7.658 12.900 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -5.019 7.241 11.261 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -3.670 6.096 11.070 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.175 5.573 11.863 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -5.569 8.164 13.480 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -5.746 6.533 14.170 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -4.620 7.696 14.911 1.00 0.00 H new ATOM 2175 N PRO B 55 -1.439 8.102 15.791 1.00 0.00 N ATOM 2176 CA PRO B 55 -1.643 9.069 16.869 1.00 0.00 C ATOM 2177 C PRO B 55 -2.775 10.045 16.567 1.00 0.00 C ATOM 2178 O PRO B 55 -3.191 10.195 15.417 1.00 0.00 O ATOM 2179 CB PRO B 55 -0.301 9.820 16.950 1.00 0.00 C ATOM 2180 CG PRO B 55 0.596 9.188 15.931 1.00 0.00 C ATOM 2181 CD PRO B 55 -0.296 8.479 14.955 1.00 0.00 C ATOM 0 HA PRO B 55 -1.926 8.577 17.800 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -0.436 10.882 16.744 1.00 0.00 H new ATOM 0 HB3 PRO B 55 0.129 9.742 17.949 1.00 0.00 H new ATOM 0 HG2 PRO B 55 1.201 9.942 15.426 1.00 0.00 H new ATOM 0 HG3 PRO B 55 1.287 8.489 16.403 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -0.592 9.127 14.130 1.00 0.00 H new ATOM 0 HD3 PRO B 55 0.192 7.608 14.517 1.00 0.00 H new ATOM 2189 N ASN B 56 -3.265 10.712 17.607 1.00 0.00 N ATOM 2190 CA ASN B 56 -4.344 11.681 17.455 1.00 0.00 C ATOM 2191 C ASN B 56 -3.826 12.976 16.837 1.00 0.00 C ATOM 2192 O ASN B 56 -4.541 13.653 16.098 1.00 0.00 O ATOM 2193 CB ASN B 56 -4.993 11.971 18.809 1.00 0.00 C ATOM 2194 CG ASN B 56 -6.497 12.130 18.707 1.00 0.00 C ATOM 2195 OD1 ASN B 56 -7.253 11.215 19.034 1.00 0.00 O ATOM 2196 ND2 ASN B 56 -6.940 13.297 18.251 1.00 0.00 N ATOM 0 H ASN B 56 -2.932 10.599 18.564 1.00 0.00 H new ATOM 0 HA ASN B 56 -5.092 11.254 16.787 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -4.762 11.161 19.500 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -4.562 12.880 19.228 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -7.943 13.462 18.161 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -6.277 14.028 17.991 1.00 0.00 H new ATOM 2203 N GLU B 57 -2.578 13.316 17.146 1.00 0.00 N ATOM 2204 CA GLU B 57 -1.962 14.530 16.622 1.00 0.00 C ATOM 2205 C GLU B 57 -1.601 14.367 15.148 1.00 0.00 C ATOM 2206 O GLU B 57 -1.601 15.336 14.389 1.00 0.00 O ATOM 2207 CB GLU B 57 -0.711 14.881 17.429 1.00 0.00 C ATOM 2208 CG GLU B 57 0.287 13.740 17.532 1.00 0.00 C ATOM 2209 CD GLU B 57 1.711 14.184 17.259 1.00 0.00 C ATOM 2210 OE1 GLU B 57 2.446 14.458 18.231 1.00 0.00 O ATOM 2211 OE2 GLU B 57 2.092 14.257 16.071 1.00 0.00 O ATOM 0 H GLU B 57 -1.973 12.767 17.757 1.00 0.00 H new ATOM 0 HA GLU B 57 -2.685 15.341 16.712 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -0.222 15.740 16.970 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.009 15.183 18.433 1.00 0.00 H new ATOM 0 HG2 GLU B 57 0.232 13.303 18.529 1.00 0.00 H new ATOM 0 HG3 GLU B 57 0.013 12.957 16.825 1.00 0.00 H new ATOM 2218 N LEU B 58 -1.295 13.137 14.750 1.00 0.00 N ATOM 2219 CA LEU B 58 -0.934 12.849 13.365 1.00 0.00 C ATOM 2220 C LEU B 58 -2.178 12.728 12.490 1.00 0.00 C ATOM 2221 O LEU B 58 -2.096 12.846 11.267 1.00 0.00 O ATOM 2222 CB LEU B 58 -0.118 11.557 13.285 1.00 0.00 C ATOM 2223 CG LEU B 58 1.380 11.748 13.037 1.00 0.00 C ATOM 2224 CD1 LEU B 58 2.101 10.409 13.072 1.00 0.00 C ATOM 2225 CD2 LEU B 58 1.614 12.448 11.707 1.00 0.00 C ATOM 0 H LEU B 58 -1.289 12.324 15.365 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.330 13.678 12.996 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.249 11.005 14.216 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -0.526 10.937 12.487 1.00 0.00 H new ATOM 0 HG LEU B 58 1.784 12.376 13.831 1.00 0.00 H new ATOM 0 HD11 LEU B 58 3.165 10.564 12.894 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.960 9.945 14.048 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.695 9.757 12.299 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.685 12.576 11.547 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.195 11.846 10.900 1.00 0.00 H new ATOM 0 HD23 LEU B 58 1.130 13.425 11.720 1.00 0.00 H new ATOM 2237 N LYS B 59 -3.328 12.485 13.123 1.00 0.00 N ATOM 2238 CA LYS B 59 -4.594 12.340 12.406 1.00 0.00 C ATOM 2239 C LYS B 59 -4.713 13.340 11.254 1.00 0.00 C ATOM 2240 O LYS B 59 -4.961 12.950 10.114 1.00 0.00 O ATOM 2241 CB LYS B 59 -5.773 12.511 13.368 1.00 0.00 C ATOM 2242 CG LYS B 59 -7.026 11.769 12.929 1.00 0.00 C ATOM 2243 CD LYS B 59 -7.935 12.658 12.097 1.00 0.00 C ATOM 2244 CE LYS B 59 -8.764 13.584 12.971 1.00 0.00 C ATOM 2245 NZ LYS B 59 -9.931 12.883 13.573 1.00 0.00 N ATOM 0 H LYS B 59 -3.407 12.384 14.135 1.00 0.00 H new ATOM 0 HA LYS B 59 -4.615 11.336 11.981 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -5.479 12.159 14.357 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.003 13.572 13.463 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.745 10.889 12.350 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -7.566 11.414 13.806 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -7.334 13.250 11.407 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.597 12.038 11.492 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.137 13.992 13.764 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -9.115 14.427 12.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -10.470 13.549 14.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -10.543 12.515 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -9.596 12.094 14.162 1.00 0.00 H new ATOM 2259 N PRO B 60 -4.535 14.646 11.529 1.00 0.00 N ATOM 2260 CA PRO B 60 -4.627 15.677 10.492 1.00 0.00 C ATOM 2261 C PRO B 60 -3.518 15.554 9.455 1.00 0.00 C ATOM 2262 O PRO B 60 -3.684 15.963 8.306 1.00 0.00 O ATOM 2263 CB PRO B 60 -4.494 16.989 11.270 1.00 0.00 C ATOM 2264 CG PRO B 60 -3.789 16.619 12.528 1.00 0.00 C ATOM 2265 CD PRO B 60 -4.235 15.221 12.854 1.00 0.00 C ATOM 0 HA PRO B 60 -5.555 15.600 9.926 1.00 0.00 H new ATOM 0 HB2 PRO B 60 -3.929 17.729 10.703 1.00 0.00 H new ATOM 0 HB3 PRO B 60 -5.471 17.426 11.478 1.00 0.00 H new ATOM 0 HG2 PRO B 60 -2.708 16.664 12.397 1.00 0.00 H new ATOM 0 HG3 PRO B 60 -4.041 17.308 13.334 1.00 0.00 H new ATOM 0 HD2 PRO B 60 -3.456 14.660 13.370 1.00 0.00 H new ATOM 0 HD3 PRO B 60 -5.112 15.219 13.502 1.00 0.00 H new ATOM 2273 N LYS B 61 -2.387 14.984 9.861 1.00 0.00 N ATOM 2274 CA LYS B 61 -1.264 14.808 8.951 1.00 0.00 C ATOM 2275 C LYS B 61 -1.587 13.764 7.890 1.00 0.00 C ATOM 2276 O LYS B 61 -1.082 13.829 6.771 1.00 0.00 O ATOM 2277 CB LYS B 61 0.001 14.410 9.709 1.00 0.00 C ATOM 2278 CG LYS B 61 1.281 14.831 9.003 1.00 0.00 C ATOM 2279 CD LYS B 61 1.865 13.698 8.174 1.00 0.00 C ATOM 2280 CE LYS B 61 3.243 13.293 8.676 1.00 0.00 C ATOM 2281 NZ LYS B 61 4.321 14.113 8.059 1.00 0.00 N ATOM 0 H LYS B 61 -2.226 14.639 10.807 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.084 15.764 8.459 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -0.022 14.858 10.702 1.00 0.00 H new ATOM 0 HB3 LYS B 61 0.009 13.329 9.847 1.00 0.00 H new ATOM 0 HG2 LYS B 61 1.077 15.686 8.358 1.00 0.00 H new ATOM 0 HG3 LYS B 61 2.014 15.157 9.741 1.00 0.00 H new ATOM 0 HD2 LYS B 61 1.196 12.838 8.209 1.00 0.00 H new ATOM 0 HD3 LYS B 61 1.933 14.006 7.131 1.00 0.00 H new ATOM 0 HE2 LYS B 61 3.281 13.400 9.760 1.00 0.00 H new ATOM 0 HE3 LYS B 61 3.415 12.240 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 5.244 13.806 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 4.302 13.991 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 4.171 15.115 8.292 1.00 0.00 H new ATOM 2295 N ILE B 62 -2.449 12.809 8.237 1.00 0.00 N ATOM 2296 CA ILE B 62 -2.845 11.773 7.290 1.00 0.00 C ATOM 2297 C ILE B 62 -3.291 12.428 5.988 1.00 0.00 C ATOM 2298 O ILE B 62 -3.005 11.936 4.894 1.00 0.00 O ATOM 2299 CB ILE B 62 -3.970 10.879 7.867 1.00 0.00 C ATOM 2300 CG1 ILE B 62 -3.368 9.777 8.743 1.00 0.00 C ATOM 2301 CG2 ILE B 62 -4.819 10.267 6.757 1.00 0.00 C ATOM 2302 CD1 ILE B 62 -2.375 10.292 9.763 1.00 0.00 C ATOM 0 H ILE B 62 -2.882 12.733 9.158 1.00 0.00 H new ATOM 0 HA ILE B 62 -1.988 11.128 7.098 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.620 11.507 8.477 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -4.173 9.256 9.262 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -2.874 9.045 8.104 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.599 9.645 7.196 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.277 11.062 6.169 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -4.188 9.655 6.112 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -1.989 9.458 10.348 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.551 10.788 9.250 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -2.870 11.002 10.426 1.00 0.00 H new ATOM 2314 N ASP B 63 -3.953 13.575 6.120 1.00 0.00 N ATOM 2315 CA ASP B 63 -4.391 14.330 4.964 1.00 0.00 C ATOM 2316 C ASP B 63 -3.162 14.795 4.205 1.00 0.00 C ATOM 2317 O ASP B 63 -3.081 14.665 2.984 1.00 0.00 O ATOM 2318 CB ASP B 63 -5.241 15.529 5.394 1.00 0.00 C ATOM 2319 CG ASP B 63 -6.391 15.792 4.443 1.00 0.00 C ATOM 2320 OD1 ASP B 63 -7.057 14.820 4.033 1.00 0.00 O ATOM 2321 OD2 ASP B 63 -6.624 16.973 4.106 1.00 0.00 O ATOM 0 H ASP B 63 -4.194 13.996 7.017 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.008 13.701 4.323 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -5.634 15.352 6.395 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.610 16.416 5.451 1.00 0.00 H new ATOM 2326 N GLU B 64 -2.185 15.303 4.957 1.00 0.00 N ATOM 2327 CA GLU B 64 -0.929 15.757 4.380 1.00 0.00 C ATOM 2328 C GLU B 64 -0.286 14.617 3.602 1.00 0.00 C ATOM 2329 O GLU B 64 0.117 14.781 2.456 1.00 0.00 O ATOM 2330 CB GLU B 64 0.017 16.255 5.475 1.00 0.00 C ATOM 2331 CG GLU B 64 0.014 17.766 5.640 1.00 0.00 C ATOM 2332 CD GLU B 64 0.919 18.231 6.765 1.00 0.00 C ATOM 2333 OE1 GLU B 64 2.084 17.784 6.812 1.00 0.00 O ATOM 2334 OE2 GLU B 64 0.461 19.043 7.597 1.00 0.00 O ATOM 0 H GLU B 64 -2.244 15.409 5.970 1.00 0.00 H new ATOM 0 HA GLU B 64 -1.129 16.587 3.702 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -0.262 15.794 6.422 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.030 15.925 5.246 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.332 18.230 4.707 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -1.004 18.105 5.834 1.00 0.00 H new ATOM 2341 N ILE B 65 -0.223 13.450 4.235 1.00 0.00 N ATOM 2342 CA ILE B 65 0.341 12.259 3.608 1.00 0.00 C ATOM 2343 C ILE B 65 -0.218 12.073 2.200 1.00 0.00 C ATOM 2344 O ILE B 65 0.514 11.737 1.272 1.00 0.00 O ATOM 2345 CB ILE B 65 0.025 11.000 4.449 1.00 0.00 C ATOM 2346 CG1 ILE B 65 0.619 11.137 5.854 1.00 0.00 C ATOM 2347 CG2 ILE B 65 0.543 9.739 3.766 1.00 0.00 C ATOM 2348 CD1 ILE B 65 2.091 11.487 5.857 1.00 0.00 C ATOM 0 H ILE B 65 -0.558 13.303 5.187 1.00 0.00 H new ATOM 0 HA ILE B 65 1.421 12.394 3.551 1.00 0.00 H new ATOM 0 HB ILE B 65 -1.058 10.911 4.535 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.070 11.906 6.398 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.475 10.201 6.393 1.00 0.00 H new ATOM 0 HG21 ILE B 65 0.307 8.870 4.380 1.00 0.00 H new ATOM 0 HG22 ILE B 65 0.070 9.633 2.790 1.00 0.00 H new ATOM 0 HG23 ILE B 65 1.623 9.811 3.640 1.00 0.00 H new ATOM 0 HD11 ILE B 65 2.444 11.568 6.885 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.651 10.707 5.341 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.240 12.439 5.347 1.00 0.00 H new ATOM 2360 N SER B 66 -1.523 12.284 2.056 1.00 0.00 N ATOM 2361 CA SER B 66 -2.185 12.126 0.763 1.00 0.00 C ATOM 2362 C SER B 66 -2.031 13.366 -0.119 1.00 0.00 C ATOM 2363 O SER B 66 -1.587 13.267 -1.263 1.00 0.00 O ATOM 2364 CB SER B 66 -3.671 11.817 0.968 1.00 0.00 C ATOM 2365 OG SER B 66 -4.116 12.266 2.236 1.00 0.00 O ATOM 0 H SER B 66 -2.143 12.564 2.816 1.00 0.00 H new ATOM 0 HA SER B 66 -1.702 11.294 0.250 1.00 0.00 H new ATOM 0 HB2 SER B 66 -4.257 12.296 0.183 1.00 0.00 H new ATOM 0 HB3 SER B 66 -3.838 10.743 0.880 1.00 0.00 H new ATOM 0 HG SER B 66 -3.835 13.195 2.371 1.00 0.00 H new