USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 50 HIS : no HD1:sc= -0.0286 X(o=-0.15,f=-0.019) USER MOD Set 2.2: A 79 ASN : amide:sc= -0.121 X(o=-0.15,f=-0.019) USER MOD Set 3.1: A 46 MET CE :methyl -164:sc= -0.0142 (180deg=0) USER MOD Set 3.2: A 74 MET CE :methyl -173:sc= -4.02! (180deg=-4.55!) USER MOD Set 4.1: A 18 CYS SG : rot 74:sc= 0.518 USER MOD Set 4.2: A 21 CYS SG : rot -49:sc= -2.54 USER MOD Set 4.3: A 34 HIS : no HD1:sc= -0.693 K(o=-4.7,f=-5.6) USER MOD Set 4.4: A 35 CYS SG : rot 61:sc= 0.671 USER MOD Set 4.5: A 39 HIS : no HD1:sc= -2.66! C(o=-4.7!,f=-5.5!) USER MOD Single : A 14 GLN : amide:sc= -0.0875 X(o=-0.087,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-2.2) USER MOD Single : A 16 THR OG1 : rot 140:sc= 0.0935 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -80:sc= 0.125 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= -1.01 (180deg=-1.09) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.04 K(o=-1,f=-3.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.0035) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 139:sc= 0.962 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.41! C(o=-3.4!,f=-10!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.019) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -134:sc= -0.191 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.656 9.945 16.574 1.00 0.00 N ATOM 154 CA GLN A 14 2.367 10.068 15.150 1.00 0.00 C ATOM 155 C GLN A 14 1.663 8.820 14.628 1.00 0.00 C ATOM 156 O GLN A 14 2.281 7.768 14.464 1.00 0.00 O ATOM 157 CB GLN A 14 3.658 10.306 14.365 1.00 0.00 C ATOM 158 CG GLN A 14 4.701 9.218 14.565 1.00 0.00 C ATOM 159 CD GLN A 14 6.109 9.701 14.279 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.774 9.208 13.367 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.572 10.672 15.058 1.00 0.00 N ATOM 0 HA GLN A 14 1.704 10.922 15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.420 10.379 13.304 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.083 11.264 14.663 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.647 8.853 15.591 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.471 8.375 13.914 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.987 11.052 15.802 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.513 11.038 14.912 1.00 0.00 H new ATOM 170 N HIS A 15 0.365 8.944 14.368 1.00 0.00 N ATOM 171 CA HIS A 15 -0.424 7.825 13.864 1.00 0.00 C ATOM 172 C HIS A 15 -0.954 8.122 12.465 1.00 0.00 C ATOM 173 O HIS A 15 -1.381 9.240 12.174 1.00 0.00 O ATOM 174 CB HIS A 15 -1.588 7.527 14.810 1.00 0.00 C ATOM 175 CG HIS A 15 -1.154 7.038 16.158 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.158 7.645 16.894 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.588 5.995 16.903 1.00 0.00 C ATOM 178 CE1 HIS A 15 0.003 6.995 18.033 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.853 5.990 18.063 1.00 0.00 N ATOM 0 H HIS A 15 -0.162 9.807 14.498 1.00 0.00 H new ATOM 0 HA HIS A 15 0.224 6.950 13.811 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.184 8.431 14.935 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.235 6.779 14.352 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.367 5.297 16.635 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.714 7.243 18.807 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.952 5.319 18.824 1.00 0.00 H new ATOM 187 N THR A 16 -0.923 7.113 11.599 1.00 0.00 N ATOM 188 CA THR A 16 -1.398 7.265 10.230 1.00 0.00 C ATOM 189 C THR A 16 -2.673 6.462 9.997 1.00 0.00 C ATOM 190 O THR A 16 -2.726 5.255 10.231 1.00 0.00 O ATOM 191 CB THR A 16 -0.331 6.819 9.212 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.757 7.141 7.883 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.073 5.324 9.319 1.00 0.00 C ATOM 0 H THR A 16 -0.573 6.181 11.823 1.00 0.00 H new ATOM 0 HA THR A 16 -1.608 8.325 10.085 1.00 0.00 H new ATOM 0 HB THR A 16 0.596 7.348 9.434 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.007 7.471 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.684 5.032 8.591 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.279 5.086 10.323 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.997 4.780 9.120 1.00 0.00 H new ATOM 201 N PRO A 17 -3.726 7.146 9.525 1.00 0.00 N ATOM 202 CA PRO A 17 -5.020 6.515 9.250 1.00 0.00 C ATOM 203 C PRO A 17 -4.964 5.579 8.047 1.00 0.00 C ATOM 204 O PRO A 17 -3.954 5.513 7.345 1.00 0.00 O ATOM 205 CB PRO A 17 -5.940 7.704 8.960 1.00 0.00 C ATOM 206 CG PRO A 17 -5.027 8.781 8.482 1.00 0.00 C ATOM 207 CD PRO A 17 -3.734 8.587 9.224 1.00 0.00 C ATOM 0 HA PRO A 17 -5.354 5.892 10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.686 7.453 8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.482 8.012 9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.873 8.713 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.448 9.766 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.876 8.876 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.698 9.188 10.133 1.00 0.00 H new ATOM 215 N CYS A 18 -6.055 4.857 7.814 1.00 0.00 N ATOM 216 CA CYS A 18 -6.131 3.925 6.696 1.00 0.00 C ATOM 217 C CYS A 18 -6.665 4.617 5.445 1.00 0.00 C ATOM 218 O CYS A 18 -7.239 5.704 5.521 1.00 0.00 O ATOM 219 CB CYS A 18 -7.025 2.737 7.055 1.00 0.00 C ATOM 220 SG CYS A 18 -7.013 1.397 5.821 1.00 0.00 S ATOM 0 H CYS A 18 -6.899 4.900 8.385 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.124 3.564 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.706 2.334 8.016 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.048 3.091 7.181 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.890 0.747 5.898 1.00 0.00 H new ATOM 225 N LEU A 19 -6.472 3.980 4.295 1.00 0.00 N ATOM 226 CA LEU A 19 -6.935 4.534 3.027 1.00 0.00 C ATOM 227 C LEU A 19 -8.375 4.119 2.745 1.00 0.00 C ATOM 228 O LEU A 19 -9.200 4.939 2.341 1.00 0.00 O ATOM 229 CB LEU A 19 -6.026 4.073 1.886 1.00 0.00 C ATOM 230 CG LEU A 19 -4.529 4.030 2.195 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.113 5.255 2.994 1.00 0.00 C ATOM 232 CD2 LEU A 19 -4.177 2.755 2.948 1.00 0.00 C ATOM 0 H LEU A 19 -5.998 3.080 4.214 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.898 5.621 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.341 3.076 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.182 4.735 1.034 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.982 4.035 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.045 5.207 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.329 6.155 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.667 5.283 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.108 2.741 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.733 2.721 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.438 1.889 2.339 1.00 0.00 H new ATOM 244 N PHE A 20 -8.671 2.842 2.962 1.00 0.00 N ATOM 245 CA PHE A 20 -10.013 2.319 2.732 1.00 0.00 C ATOM 246 C PHE A 20 -10.953 2.716 3.866 1.00 0.00 C ATOM 247 O PHE A 20 -12.112 3.063 3.634 1.00 0.00 O ATOM 248 CB PHE A 20 -9.972 0.795 2.598 1.00 0.00 C ATOM 249 CG PHE A 20 -9.060 0.313 1.505 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.506 0.238 0.196 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.757 -0.063 1.789 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.669 -0.206 -0.811 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.916 -0.507 0.786 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.372 -0.578 -0.515 1.00 0.00 C ATOM 0 H PHE A 20 -8.000 2.150 3.297 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.390 2.749 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.650 0.364 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.980 0.428 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.519 0.529 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.395 -0.009 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.029 -0.262 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.903 -0.798 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.716 -0.924 -1.300 1.00 0.00 H new ATOM 264 N CYS A 21 -10.447 2.661 5.093 1.00 0.00 N ATOM 265 CA CYS A 21 -11.239 3.013 6.265 1.00 0.00 C ATOM 266 C CYS A 21 -10.573 4.136 7.055 1.00 0.00 C ATOM 267 O CYS A 21 -9.548 4.677 6.640 1.00 0.00 O ATOM 268 CB CYS A 21 -11.434 1.789 7.161 1.00 0.00 C ATOM 269 SG CYS A 21 -9.926 1.259 8.034 1.00 0.00 S ATOM 0 H CYS A 21 -9.490 2.375 5.302 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.213 3.363 5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.208 2.010 7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.799 0.961 6.553 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.942 1.175 7.189 1.00 0.00 H new ATOM 274 N ASP A 22 -11.162 4.480 8.195 1.00 0.00 N ATOM 275 CA ASP A 22 -10.626 5.537 9.044 1.00 0.00 C ATOM 276 C ASP A 22 -9.966 4.951 10.289 1.00 0.00 C ATOM 277 O ASP A 22 -10.229 5.389 11.408 1.00 0.00 O ATOM 278 CB ASP A 22 -11.736 6.507 9.450 1.00 0.00 C ATOM 279 CG ASP A 22 -12.209 7.363 8.292 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.368 6.820 7.178 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.421 8.576 8.498 1.00 0.00 O ATOM 0 H ASP A 22 -12.011 4.042 8.552 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.871 6.079 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.579 5.943 9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.376 7.152 10.251 1.00 0.00 H new ATOM 286 N ARG A 23 -9.107 3.957 10.084 1.00 0.00 N ATOM 287 CA ARG A 23 -8.411 3.309 11.190 1.00 0.00 C ATOM 288 C ARG A 23 -7.025 3.915 11.389 1.00 0.00 C ATOM 289 O ARG A 23 -6.209 3.943 10.466 1.00 0.00 O ATOM 290 CB ARG A 23 -8.290 1.806 10.933 1.00 0.00 C ATOM 291 CG ARG A 23 -9.546 1.025 11.284 1.00 0.00 C ATOM 292 CD ARG A 23 -9.336 -0.472 11.118 1.00 0.00 C ATOM 293 NE ARG A 23 -10.340 -1.249 11.839 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.168 -2.514 12.204 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.036 -3.142 11.918 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.130 -3.154 12.858 1.00 0.00 N ATOM 0 H ARG A 23 -8.877 3.583 9.163 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.993 3.470 12.097 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.053 1.644 9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.454 1.413 11.512 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.835 1.241 12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.368 1.351 10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.372 -0.728 10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.343 -0.741 11.478 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.222 -0.795 12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.294 -2.653 11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.907 -4.114 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.002 -2.674 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.997 -4.126 13.138 1.00 0.00 H new ATOM 310 N LEU A 24 -6.766 4.401 12.598 1.00 0.00 N ATOM 311 CA LEU A 24 -5.478 5.007 12.919 1.00 0.00 C ATOM 312 C LEU A 24 -4.484 3.954 13.396 1.00 0.00 C ATOM 313 O LEU A 24 -4.838 3.046 14.149 1.00 0.00 O ATOM 314 CB LEU A 24 -5.653 6.083 13.992 1.00 0.00 C ATOM 315 CG LEU A 24 -6.256 7.408 13.522 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.660 8.262 14.714 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.271 8.157 12.636 1.00 0.00 C ATOM 0 H LEU A 24 -7.430 4.387 13.372 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.084 5.466 12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.285 5.680 14.783 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.679 6.287 14.436 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.149 7.192 12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.087 9.201 14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.400 7.728 15.310 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.783 8.470 15.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.716 9.097 12.311 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.360 8.362 13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.030 7.549 11.764 1.00 0.00 H new ATOM 329 N PHE A 25 -3.237 4.082 12.954 1.00 0.00 N ATOM 330 CA PHE A 25 -2.190 3.141 13.337 1.00 0.00 C ATOM 331 C PHE A 25 -0.918 3.880 13.745 1.00 0.00 C ATOM 332 O PHE A 25 -0.689 5.016 13.333 1.00 0.00 O ATOM 333 CB PHE A 25 -1.889 2.183 12.183 1.00 0.00 C ATOM 334 CG PHE A 25 -3.089 1.408 11.720 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.980 1.960 10.813 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.327 0.126 12.190 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.085 1.250 10.386 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.431 -0.590 11.765 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.310 -0.027 10.861 1.00 0.00 C ATOM 0 H PHE A 25 -2.927 4.828 12.331 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.546 2.567 14.192 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.488 2.752 11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.113 1.484 12.494 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.808 2.957 10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.642 -0.319 12.897 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.773 1.693 9.681 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.605 -1.588 12.139 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.172 -0.585 10.526 1.00 0.00 H new ATOM 349 N ALA A 26 -0.095 3.224 14.557 1.00 0.00 N ATOM 350 CA ALA A 26 1.154 3.817 15.019 1.00 0.00 C ATOM 351 C ALA A 26 2.134 4.001 13.865 1.00 0.00 C ATOM 352 O ALA A 26 2.677 5.088 13.668 1.00 0.00 O ATOM 353 CB ALA A 26 1.774 2.956 16.109 1.00 0.00 C ATOM 0 H ALA A 26 -0.271 2.283 14.908 1.00 0.00 H new ATOM 0 HA ALA A 26 0.931 4.801 15.431 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.706 3.410 16.445 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.084 2.880 16.949 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.977 1.960 15.715 1.00 0.00 H new ATOM 359 N SER A 27 2.356 2.932 13.107 1.00 0.00 N ATOM 360 CA SER A 27 3.275 2.976 11.976 1.00 0.00 C ATOM 361 C SER A 27 2.570 2.564 10.687 1.00 0.00 C ATOM 362 O SER A 27 1.432 2.096 10.712 1.00 0.00 O ATOM 363 CB SER A 27 4.474 2.060 12.230 1.00 0.00 C ATOM 364 OG SER A 27 5.272 2.547 13.294 1.00 0.00 O ATOM 0 H SER A 27 1.912 2.026 13.255 1.00 0.00 H new ATOM 0 HA SER A 27 3.627 4.002 11.865 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.124 1.055 12.464 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.076 1.985 11.325 1.00 0.00 H new ATOM 0 HG SER A 27 6.030 1.943 13.437 1.00 0.00 H new ATOM 370 N ALA A 28 3.255 2.743 9.562 1.00 0.00 N ATOM 371 CA ALA A 28 2.696 2.389 8.263 1.00 0.00 C ATOM 372 C ALA A 28 2.513 0.880 8.137 1.00 0.00 C ATOM 373 O ALA A 28 1.404 0.397 7.913 1.00 0.00 O ATOM 374 CB ALA A 28 3.587 2.909 7.146 1.00 0.00 C ATOM 0 H ALA A 28 4.198 3.131 9.524 1.00 0.00 H new ATOM 0 HA ALA A 28 1.715 2.856 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.157 2.637 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.663 3.994 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.580 2.469 7.238 1.00 0.00 H new ATOM 380 N GLU A 29 3.609 0.141 8.282 1.00 0.00 N ATOM 381 CA GLU A 29 3.568 -1.313 8.183 1.00 0.00 C ATOM 382 C GLU A 29 2.274 -1.863 8.778 1.00 0.00 C ATOM 383 O GLU A 29 1.541 -2.600 8.120 1.00 0.00 O ATOM 384 CB GLU A 29 4.773 -1.929 8.896 1.00 0.00 C ATOM 385 CG GLU A 29 6.110 -1.471 8.340 1.00 0.00 C ATOM 386 CD GLU A 29 6.574 -0.160 8.944 1.00 0.00 C ATOM 387 OE1 GLU A 29 6.616 -0.061 10.188 1.00 0.00 O ATOM 388 OE2 GLU A 29 6.897 0.768 8.171 1.00 0.00 O ATOM 0 H GLU A 29 4.535 0.525 8.468 1.00 0.00 H new ATOM 0 HA GLU A 29 3.604 -1.581 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.725 -1.678 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.712 -3.015 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.860 -2.239 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.031 -1.361 7.258 1.00 0.00 H new ATOM 395 N GLU A 30 2.003 -1.498 10.027 1.00 0.00 N ATOM 396 CA GLU A 30 0.799 -1.956 10.711 1.00 0.00 C ATOM 397 C GLU A 30 -0.426 -1.812 9.813 1.00 0.00 C ATOM 398 O GLU A 30 -1.183 -2.763 9.618 1.00 0.00 O ATOM 399 CB GLU A 30 0.591 -1.168 12.006 1.00 0.00 C ATOM 400 CG GLU A 30 1.252 -1.802 13.218 1.00 0.00 C ATOM 401 CD GLU A 30 2.709 -2.147 12.974 1.00 0.00 C ATOM 402 OE1 GLU A 30 3.331 -1.511 12.098 1.00 0.00 O ATOM 403 OE2 GLU A 30 3.226 -3.053 13.660 1.00 0.00 O ATOM 0 H GLU A 30 2.600 -0.887 10.585 1.00 0.00 H new ATOM 0 HA GLU A 30 0.929 -3.011 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.984 -0.160 11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.478 -1.072 12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.181 -1.119 14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.709 -2.707 13.492 1.00 0.00 H new ATOM 410 N THR A 31 -0.615 -0.614 9.267 1.00 0.00 N ATOM 411 CA THR A 31 -1.747 -0.343 8.391 1.00 0.00 C ATOM 412 C THR A 31 -1.802 -1.341 7.240 1.00 0.00 C ATOM 413 O THR A 31 -2.759 -2.106 7.113 1.00 0.00 O ATOM 414 CB THR A 31 -1.684 1.084 7.816 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.193 1.991 8.810 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.057 1.538 7.342 1.00 0.00 C ATOM 0 H THR A 31 0.002 0.184 9.417 1.00 0.00 H new ATOM 0 HA THR A 31 -2.647 -0.442 8.998 1.00 0.00 H new ATOM 0 HB THR A 31 -1.006 1.079 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.920 2.232 9.421 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.987 2.549 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.416 0.862 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.753 1.528 8.181 1.00 0.00 H new ATOM 424 N PHE A 32 -0.770 -1.328 6.402 1.00 0.00 N ATOM 425 CA PHE A 32 -0.701 -2.232 5.260 1.00 0.00 C ATOM 426 C PHE A 32 -1.155 -3.636 5.650 1.00 0.00 C ATOM 427 O PHE A 32 -2.093 -4.180 5.068 1.00 0.00 O ATOM 428 CB PHE A 32 0.724 -2.280 4.706 1.00 0.00 C ATOM 429 CG PHE A 32 1.128 -1.026 3.984 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.305 -0.471 3.018 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.332 -0.404 4.271 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.675 0.682 2.352 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.708 0.750 3.608 1.00 0.00 C ATOM 434 CZ PHE A 32 1.878 1.294 2.648 1.00 0.00 C ATOM 0 H PHE A 32 0.030 -0.701 6.493 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.371 -1.854 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.419 -2.457 5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.812 -3.127 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.637 -0.945 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.985 -0.825 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.024 1.104 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.650 1.225 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.168 2.196 2.130 1.00 0.00 H new ATOM 444 N SER A 33 -0.481 -4.216 6.637 1.00 0.00 N ATOM 445 CA SER A 33 -0.811 -5.559 7.102 1.00 0.00 C ATOM 446 C SER A 33 -2.306 -5.685 7.381 1.00 0.00 C ATOM 447 O SER A 33 -2.925 -6.699 7.060 1.00 0.00 O ATOM 448 CB SER A 33 -0.015 -5.894 8.365 1.00 0.00 C ATOM 449 OG SER A 33 0.154 -7.294 8.505 1.00 0.00 O ATOM 0 H SER A 33 0.297 -3.778 7.131 1.00 0.00 H new ATOM 0 HA SER A 33 -0.545 -6.265 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.960 -5.409 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.531 -5.498 9.240 1.00 0.00 H new ATOM 0 HG SER A 33 0.667 -7.482 9.319 1.00 0.00 H new ATOM 455 N HIS A 34 -2.879 -4.646 7.982 1.00 0.00 N ATOM 456 CA HIS A 34 -4.301 -4.639 8.304 1.00 0.00 C ATOM 457 C HIS A 34 -5.146 -4.693 7.035 1.00 0.00 C ATOM 458 O HIS A 34 -6.175 -5.369 6.990 1.00 0.00 O ATOM 459 CB HIS A 34 -4.656 -3.393 9.115 1.00 0.00 C ATOM 460 CG HIS A 34 -6.026 -2.860 8.826 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.181 -3.523 9.183 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.422 -1.721 8.213 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.229 -2.814 8.800 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.795 -1.716 8.209 1.00 0.00 N ATOM 0 H HIS A 34 -2.380 -3.799 8.255 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.517 -5.525 8.901 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.583 -3.628 10.177 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.921 -2.614 8.910 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.778 -0.957 7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.264 -3.087 8.946 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.384 -0.983 7.814 1.00 0.00 H new ATOM 472 N CYS A 35 -4.707 -3.976 6.007 1.00 0.00 N ATOM 473 CA CYS A 35 -5.424 -3.940 4.737 1.00 0.00 C ATOM 474 C CYS A 35 -5.267 -5.259 3.987 1.00 0.00 C ATOM 475 O CYS A 35 -6.109 -5.623 3.166 1.00 0.00 O ATOM 476 CB CYS A 35 -4.916 -2.785 3.873 1.00 0.00 C ATOM 477 SG CYS A 35 -4.870 -1.191 4.725 1.00 0.00 S ATOM 0 H CYS A 35 -3.858 -3.411 6.028 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.482 -3.787 4.950 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.914 -3.024 3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.553 -2.696 2.993 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.062 -1.265 5.741 1.00 0.00 H new ATOM 483 N LYS A 36 -4.182 -5.971 4.273 1.00 0.00 N ATOM 484 CA LYS A 36 -3.913 -7.250 3.627 1.00 0.00 C ATOM 485 C LYS A 36 -4.763 -8.359 4.240 1.00 0.00 C ATOM 486 O LYS A 36 -4.963 -9.411 3.630 1.00 0.00 O ATOM 487 CB LYS A 36 -2.429 -7.604 3.747 1.00 0.00 C ATOM 488 CG LYS A 36 -1.513 -6.641 3.012 1.00 0.00 C ATOM 489 CD LYS A 36 -0.050 -6.954 3.274 1.00 0.00 C ATOM 490 CE LYS A 36 0.845 -6.397 2.177 1.00 0.00 C ATOM 491 NZ LYS A 36 1.145 -4.954 2.385 1.00 0.00 N ATOM 0 H LYS A 36 -3.474 -5.683 4.949 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.174 -7.158 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.153 -7.622 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.271 -8.610 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.711 -6.694 1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.730 -5.620 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.246 -6.534 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.086 -8.033 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.777 -6.961 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.360 -6.531 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.811 -4.629 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.265 -4.404 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.569 -4.820 3.325 1.00 0.00 H new ATOM 505 N LEU A 37 -5.260 -8.118 5.448 1.00 0.00 N ATOM 506 CA LEU A 37 -6.089 -9.096 6.143 1.00 0.00 C ATOM 507 C LEU A 37 -7.571 -8.819 5.908 1.00 0.00 C ATOM 508 O LEU A 37 -8.342 -9.730 5.606 1.00 0.00 O ATOM 509 CB LEU A 37 -5.787 -9.077 7.642 1.00 0.00 C ATOM 510 CG LEU A 37 -4.326 -9.298 8.035 1.00 0.00 C ATOM 511 CD1 LEU A 37 -4.019 -8.614 9.358 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.015 -10.785 8.117 1.00 0.00 C ATOM 0 H LEU A 37 -5.103 -7.254 5.966 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.855 -10.083 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.110 -8.117 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.392 -9.845 8.124 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.693 -8.856 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.975 -8.783 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.202 -7.543 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.660 -9.025 10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.971 -10.923 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.657 -11.250 8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.194 -11.248 7.147 1.00 0.00 H new ATOM 524 N GLU A 38 -7.961 -7.556 6.047 1.00 0.00 N ATOM 525 CA GLU A 38 -9.350 -7.160 5.848 1.00 0.00 C ATOM 526 C GLU A 38 -9.602 -6.770 4.394 1.00 0.00 C ATOM 527 O GLU A 38 -10.352 -7.437 3.682 1.00 0.00 O ATOM 528 CB GLU A 38 -9.707 -5.992 6.770 1.00 0.00 C ATOM 529 CG GLU A 38 -9.586 -6.324 8.247 1.00 0.00 C ATOM 530 CD GLU A 38 -10.838 -6.975 8.803 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.885 -6.297 8.861 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.769 -8.164 9.181 1.00 0.00 O ATOM 0 H GLU A 38 -7.335 -6.790 6.296 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.983 -8.013 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.056 -5.148 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.728 -5.673 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.737 -6.991 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.377 -5.411 8.805 1.00 0.00 H new ATOM 539 N HIS A 39 -8.969 -5.684 3.961 1.00 0.00 N ATOM 540 CA HIS A 39 -9.124 -5.204 2.592 1.00 0.00 C ATOM 541 C HIS A 39 -8.359 -6.092 1.615 1.00 0.00 C ATOM 542 O HIS A 39 -8.309 -5.813 0.418 1.00 0.00 O ATOM 543 CB HIS A 39 -8.635 -3.760 2.477 1.00 0.00 C ATOM 544 CG HIS A 39 -9.223 -2.845 3.506 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.563 -2.842 3.833 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.646 -1.899 4.284 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.784 -1.933 4.766 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.637 -1.348 5.058 1.00 0.00 N ATOM 0 H HIS A 39 -8.344 -5.120 4.538 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.183 -5.242 2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.549 -3.745 2.567 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.878 -3.381 1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.601 -1.628 4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.740 -1.707 5.214 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.508 -0.607 5.747 1.00 0.00 H new ATOM 556 N GLN A 40 -7.765 -7.161 2.135 1.00 0.00 N ATOM 557 CA GLN A 40 -7.002 -8.088 1.309 1.00 0.00 C ATOM 558 C GLN A 40 -6.296 -7.352 0.175 1.00 0.00 C ATOM 559 O GLN A 40 -6.207 -7.856 -0.945 1.00 0.00 O ATOM 560 CB GLN A 40 -7.920 -9.170 0.737 1.00 0.00 C ATOM 561 CG GLN A 40 -9.050 -9.566 1.673 1.00 0.00 C ATOM 562 CD GLN A 40 -9.514 -10.993 1.458 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.089 -11.909 2.163 1.00 0.00 O ATOM 564 NE2 GLN A 40 -10.390 -11.190 0.480 1.00 0.00 N ATOM 0 H GLN A 40 -7.798 -7.406 3.125 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.247 -8.558 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.345 -8.815 -0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.325 -10.053 0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.720 -9.447 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.891 -8.889 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.715 -10.402 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.738 -12.130 0.288 1.00 0.00 H new ATOM 573 N PHE A 41 -5.796 -6.158 0.472 1.00 0.00 N ATOM 574 CA PHE A 41 -5.099 -5.351 -0.523 1.00 0.00 C ATOM 575 C PHE A 41 -3.639 -5.144 -0.129 1.00 0.00 C ATOM 576 O PHE A 41 -3.343 -4.564 0.914 1.00 0.00 O ATOM 577 CB PHE A 41 -5.791 -3.997 -0.689 1.00 0.00 C ATOM 578 CG PHE A 41 -4.885 -2.920 -1.213 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.743 -2.720 -2.577 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.176 -2.108 -0.343 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.909 -1.731 -3.063 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.340 -1.117 -0.823 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.208 -0.927 -2.185 1.00 0.00 C ATOM 0 H PHE A 41 -5.860 -5.727 1.394 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.129 -5.885 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.636 -4.111 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.195 -3.684 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.290 -3.344 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.277 -2.251 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.805 -1.587 -4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.791 -0.492 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.558 -0.151 -2.563 1.00 0.00 H new ATOM 593 N ASN A 42 -2.731 -5.624 -0.973 1.00 0.00 N ATOM 594 CA ASN A 42 -1.302 -5.493 -0.714 1.00 0.00 C ATOM 595 C ASN A 42 -0.717 -4.310 -1.480 1.00 0.00 C ATOM 596 O ASN A 42 -1.008 -4.117 -2.661 1.00 0.00 O ATOM 597 CB ASN A 42 -0.572 -6.779 -1.104 1.00 0.00 C ATOM 598 CG ASN A 42 -1.187 -8.009 -0.465 1.00 0.00 C ATOM 599 OD1 ASN A 42 -0.660 -8.545 0.510 1.00 0.00 O ATOM 600 ND2 ASN A 42 -2.308 -8.463 -1.014 1.00 0.00 N ATOM 0 H ASN A 42 -2.960 -6.107 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.166 -5.316 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.589 -6.889 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.474 -6.704 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.767 -9.288 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.710 -7.987 -1.822 1.00 0.00 H new ATOM 607 N ILE A 43 0.111 -3.523 -0.801 1.00 0.00 N ATOM 608 CA ILE A 43 0.738 -2.361 -1.417 1.00 0.00 C ATOM 609 C ILE A 43 2.002 -2.756 -2.174 1.00 0.00 C ATOM 610 O ILE A 43 2.280 -2.235 -3.254 1.00 0.00 O ATOM 611 CB ILE A 43 1.094 -1.291 -0.369 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.756 -0.087 -1.042 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.007 -1.876 0.698 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.770 0.870 -1.674 1.00 0.00 C ATOM 0 H ILE A 43 0.363 -3.669 0.176 1.00 0.00 H new ATOM 0 HA ILE A 43 0.013 -1.945 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 43 0.175 -0.955 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.349 0.451 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.446 -0.443 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.249 -1.107 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.502 -2.704 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.925 -2.237 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.310 1.699 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.193 0.347 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.095 1.255 -0.909 1.00 0.00 H new ATOM 626 N ASP A 44 2.764 -3.681 -1.600 1.00 0.00 N ATOM 627 CA ASP A 44 3.998 -4.149 -2.220 1.00 0.00 C ATOM 628 C ASP A 44 3.750 -4.582 -3.662 1.00 0.00 C ATOM 629 O ASP A 44 4.505 -4.224 -4.566 1.00 0.00 O ATOM 630 CB ASP A 44 4.588 -5.311 -1.420 1.00 0.00 C ATOM 631 CG ASP A 44 3.519 -6.193 -0.807 1.00 0.00 C ATOM 632 OD1 ASP A 44 2.716 -6.769 -1.570 1.00 0.00 O ATOM 633 OD2 ASP A 44 3.485 -6.308 0.437 1.00 0.00 O ATOM 0 H ASP A 44 2.548 -4.122 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 44 4.710 -3.323 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.221 -5.913 -2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.227 -4.917 -0.630 1.00 0.00 H new ATOM 638 N SER A 45 2.689 -5.355 -3.868 1.00 0.00 N ATOM 639 CA SER A 45 2.345 -5.842 -5.199 1.00 0.00 C ATOM 640 C SER A 45 2.056 -4.680 -6.144 1.00 0.00 C ATOM 641 O SER A 45 2.458 -4.697 -7.307 1.00 0.00 O ATOM 642 CB SER A 45 1.131 -6.770 -5.128 1.00 0.00 C ATOM 643 OG SER A 45 0.988 -7.515 -6.325 1.00 0.00 O ATOM 0 H SER A 45 2.053 -5.658 -3.131 1.00 0.00 H new ATOM 0 HA SER A 45 3.197 -6.400 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.238 -7.450 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.230 -6.182 -4.952 1.00 0.00 H new ATOM 0 HG SER A 45 0.206 -8.101 -6.254 1.00 0.00 H new ATOM 649 N MET A 46 1.356 -3.671 -5.635 1.00 0.00 N ATOM 650 CA MET A 46 1.014 -2.500 -6.433 1.00 0.00 C ATOM 651 C MET A 46 2.271 -1.795 -6.932 1.00 0.00 C ATOM 652 O MET A 46 2.375 -1.449 -8.109 1.00 0.00 O ATOM 653 CB MET A 46 0.163 -1.528 -5.613 1.00 0.00 C ATOM 654 CG MET A 46 -1.191 -2.094 -5.213 1.00 0.00 C ATOM 655 SD MET A 46 -2.153 -2.658 -6.630 1.00 0.00 S ATOM 656 CE MET A 46 -2.828 -1.107 -7.219 1.00 0.00 C ATOM 0 H MET A 46 1.015 -3.641 -4.674 1.00 0.00 H new ATOM 0 HA MET A 46 0.440 -2.836 -7.297 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.711 -1.248 -4.713 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.010 -0.616 -6.190 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.044 -2.926 -4.524 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.755 -1.331 -4.676 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.656 -1.306 -7.899 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.186 -0.521 -6.372 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.053 -0.549 -7.744 1.00 0.00 H new ATOM 666 N VAL A 47 3.224 -1.585 -6.030 1.00 0.00 N ATOM 667 CA VAL A 47 4.475 -0.923 -6.379 1.00 0.00 C ATOM 668 C VAL A 47 5.126 -1.582 -7.590 1.00 0.00 C ATOM 669 O VAL A 47 5.420 -0.921 -8.587 1.00 0.00 O ATOM 670 CB VAL A 47 5.468 -0.942 -5.202 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.799 -0.334 -5.616 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.887 -0.209 -4.003 1.00 0.00 C ATOM 0 H VAL A 47 3.153 -1.864 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 47 4.229 0.111 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 47 5.644 -1.979 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.488 -0.356 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.220 -0.907 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.645 0.698 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.602 -0.232 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.680 0.826 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.962 -0.695 -3.693 1.00 0.00 H new ATOM 682 N HIS A 48 5.349 -2.889 -7.498 1.00 0.00 N ATOM 683 CA HIS A 48 5.965 -3.639 -8.587 1.00 0.00 C ATOM 684 C HIS A 48 5.057 -3.660 -9.813 1.00 0.00 C ATOM 685 O HIS A 48 5.522 -3.537 -10.946 1.00 0.00 O ATOM 686 CB HIS A 48 6.272 -5.068 -8.140 1.00 0.00 C ATOM 687 CG HIS A 48 7.393 -5.158 -7.150 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.714 -5.301 -7.520 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.383 -5.124 -5.797 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.468 -5.352 -6.436 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.685 -5.246 -5.378 1.00 0.00 N ATOM 0 H HIS A 48 5.112 -3.451 -6.680 1.00 0.00 H new ATOM 0 HA HIS A 48 6.897 -3.143 -8.856 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.374 -5.503 -7.701 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.522 -5.668 -9.015 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.513 -5.020 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.542 -5.462 -6.418 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.997 -5.254 -4.407 1.00 0.00 H new ATOM 699 N LYS A 49 3.758 -3.819 -9.579 1.00 0.00 N ATOM 700 CA LYS A 49 2.784 -3.856 -10.663 1.00 0.00 C ATOM 701 C LYS A 49 3.020 -2.714 -11.646 1.00 0.00 C ATOM 702 O LYS A 49 3.447 -2.936 -12.780 1.00 0.00 O ATOM 703 CB LYS A 49 1.363 -3.774 -10.102 1.00 0.00 C ATOM 704 CG LYS A 49 0.307 -4.342 -11.035 1.00 0.00 C ATOM 705 CD LYS A 49 -1.067 -4.344 -10.386 1.00 0.00 C ATOM 706 CE LYS A 49 -2.166 -4.593 -11.408 1.00 0.00 C ATOM 707 NZ LYS A 49 -2.454 -6.045 -11.570 1.00 0.00 N ATOM 0 H LYS A 49 3.356 -3.924 -8.648 1.00 0.00 H new ATOM 0 HA LYS A 49 2.905 -4.800 -11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.324 -4.310 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.125 -2.732 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.276 -3.754 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.579 -5.359 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.105 -5.113 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.238 -3.388 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.074 -4.075 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.871 -4.172 -12.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.208 -6.173 -12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.595 -6.536 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.761 -6.442 -10.659 1.00 0.00 H new ATOM 721 N HIS A 50 2.741 -1.492 -11.205 1.00 0.00 N ATOM 722 CA HIS A 50 2.925 -0.315 -12.047 1.00 0.00 C ATOM 723 C HIS A 50 4.242 0.384 -11.722 1.00 0.00 C ATOM 724 O HIS A 50 4.381 1.590 -11.921 1.00 0.00 O ATOM 725 CB HIS A 50 1.759 0.657 -11.862 1.00 0.00 C ATOM 726 CG HIS A 50 0.418 0.037 -12.106 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.238 0.111 -13.316 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.391 -0.674 -11.285 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.392 -0.525 -13.230 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.509 -1.011 -12.007 1.00 0.00 N ATOM 0 H HIS A 50 2.387 -1.291 -10.270 1.00 0.00 H new ATOM 0 HA HIS A 50 2.954 -0.642 -13.086 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.787 1.056 -10.848 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.889 1.501 -12.540 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.193 -0.929 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.117 -0.630 -14.024 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.301 -1.549 -11.656 1.00 0.00 H new ATOM 738 N GLY A 51 5.206 -0.382 -11.221 1.00 0.00 N ATOM 739 CA GLY A 51 6.498 0.181 -10.876 1.00 0.00 C ATOM 740 C GLY A 51 6.384 1.570 -10.280 1.00 0.00 C ATOM 741 O GLY A 51 6.931 2.533 -10.820 1.00 0.00 O ATOM 0 H GLY A 51 5.115 -1.383 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.999 -0.476 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.123 0.222 -11.768 1.00 0.00 H new ATOM 745 N LEU A 52 5.671 1.677 -9.164 1.00 0.00 N ATOM 746 CA LEU A 52 5.485 2.959 -8.494 1.00 0.00 C ATOM 747 C LEU A 52 6.786 3.433 -7.855 1.00 0.00 C ATOM 748 O LEU A 52 7.116 3.045 -6.735 1.00 0.00 O ATOM 749 CB LEU A 52 4.392 2.848 -7.430 1.00 0.00 C ATOM 750 CG LEU A 52 3.026 2.366 -7.919 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.159 1.937 -6.745 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.333 3.456 -8.725 1.00 0.00 C ATOM 0 H LEU A 52 5.212 0.891 -8.704 1.00 0.00 H new ATOM 0 HA LEU A 52 5.181 3.691 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.738 2.167 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.265 3.826 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 52 3.178 1.503 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.191 1.597 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.649 1.124 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.015 2.782 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.362 3.096 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.194 4.338 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.946 3.716 -9.588 1.00 0.00 H new ATOM 764 N GLU A 53 7.520 4.276 -8.575 1.00 0.00 N ATOM 765 CA GLU A 53 8.785 4.804 -8.077 1.00 0.00 C ATOM 766 C GLU A 53 8.570 5.623 -6.807 1.00 0.00 C ATOM 767 O GLU A 53 7.460 5.692 -6.279 1.00 0.00 O ATOM 768 CB GLU A 53 9.460 5.667 -9.145 1.00 0.00 C ATOM 769 CG GLU A 53 8.528 6.681 -9.787 1.00 0.00 C ATOM 770 CD GLU A 53 9.237 7.576 -10.784 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.490 7.120 -11.918 1.00 0.00 O ATOM 772 OE2 GLU A 53 9.539 8.735 -10.429 1.00 0.00 O ATOM 0 H GLU A 53 7.261 4.608 -9.504 1.00 0.00 H new ATOM 0 HA GLU A 53 9.433 3.960 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.302 6.194 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.867 5.018 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.716 6.155 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.076 7.297 -9.009 1.00 0.00 H new ATOM 779 N PHE A 54 9.641 6.243 -6.322 1.00 0.00 N ATOM 780 CA PHE A 54 9.571 7.057 -5.114 1.00 0.00 C ATOM 781 C PHE A 54 8.227 7.772 -5.016 1.00 0.00 C ATOM 782 O PHE A 54 7.417 7.477 -4.137 1.00 0.00 O ATOM 783 CB PHE A 54 10.709 8.080 -5.096 1.00 0.00 C ATOM 784 CG PHE A 54 10.385 9.323 -4.318 1.00 0.00 C ATOM 785 CD1 PHE A 54 9.837 9.238 -3.048 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.627 10.577 -4.856 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.538 10.380 -2.329 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.331 11.722 -4.142 1.00 0.00 C ATOM 789 CZ PHE A 54 9.784 11.623 -2.877 1.00 0.00 C ATOM 0 H PHE A 54 10.567 6.197 -6.747 1.00 0.00 H new ATOM 0 HA PHE A 54 9.673 6.395 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.598 7.615 -4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.955 8.356 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.641 8.268 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.052 10.660 -5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.112 10.300 -1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.527 12.693 -4.572 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.549 12.517 -2.318 1.00 0.00 H new ATOM 799 N TYR A 55 7.997 8.713 -5.925 1.00 0.00 N ATOM 800 CA TYR A 55 6.753 9.473 -5.941 1.00 0.00 C ATOM 801 C TYR A 55 5.584 8.595 -6.376 1.00 0.00 C ATOM 802 O TYR A 55 4.502 8.647 -5.793 1.00 0.00 O ATOM 803 CB TYR A 55 6.878 10.676 -6.877 1.00 0.00 C ATOM 804 CG TYR A 55 7.496 11.891 -6.223 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.081 12.314 -4.966 1.00 0.00 C ATOM 806 CD2 TYR A 55 8.496 12.615 -6.861 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.643 13.424 -4.365 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.064 13.725 -6.267 1.00 0.00 C ATOM 809 CZ TYR A 55 8.634 14.126 -5.020 1.00 0.00 C ATOM 810 OH TYR A 55 9.197 15.231 -4.424 1.00 0.00 O ATOM 0 H TYR A 55 8.656 8.968 -6.661 1.00 0.00 H new ATOM 0 HA TYR A 55 6.560 9.828 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.480 10.393 -7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.889 10.939 -7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.306 11.766 -4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.835 12.304 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.308 13.740 -3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.841 14.276 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 55 9.880 15.610 -5.016 1.00 0.00 H new ATOM 820 N GLY A 56 5.811 7.786 -7.407 1.00 0.00 N ATOM 821 CA GLY A 56 4.769 6.907 -7.904 1.00 0.00 C ATOM 822 C GLY A 56 3.933 6.310 -6.788 1.00 0.00 C ATOM 823 O GLY A 56 2.704 6.379 -6.819 1.00 0.00 O ATOM 0 H GLY A 56 6.698 7.724 -7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.121 7.463 -8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.222 6.103 -8.484 1.00 0.00 H new ATOM 827 N TYR A 57 4.599 5.721 -5.802 1.00 0.00 N ATOM 828 CA TYR A 57 3.910 5.107 -4.674 1.00 0.00 C ATOM 829 C TYR A 57 3.074 6.136 -3.920 1.00 0.00 C ATOM 830 O TYR A 57 1.908 5.894 -3.605 1.00 0.00 O ATOM 831 CB TYR A 57 4.919 4.458 -3.724 1.00 0.00 C ATOM 832 CG TYR A 57 4.447 4.396 -2.289 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.638 3.355 -1.848 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.807 5.377 -1.375 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.204 3.294 -0.539 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.378 5.324 -0.063 1.00 0.00 C ATOM 837 CZ TYR A 57 3.577 4.280 0.350 1.00 0.00 C ATOM 838 OH TYR A 57 3.146 4.224 1.656 1.00 0.00 O ATOM 0 H TYR A 57 5.616 5.656 -5.761 1.00 0.00 H new ATOM 0 HA TYR A 57 3.242 4.339 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.134 3.447 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.855 5.015 -3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.344 2.581 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.434 6.196 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.576 2.478 -0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.668 6.095 0.635 1.00 0.00 H new ATOM 0 HH TYR A 57 3.879 4.479 2.254 1.00 0.00 H new ATOM 848 N ILE A 58 3.678 7.284 -3.634 1.00 0.00 N ATOM 849 CA ILE A 58 2.990 8.352 -2.919 1.00 0.00 C ATOM 850 C ILE A 58 1.649 8.674 -3.570 1.00 0.00 C ATOM 851 O ILE A 58 0.614 8.705 -2.904 1.00 0.00 O ATOM 852 CB ILE A 58 3.842 9.633 -2.863 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.195 9.344 -2.210 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.105 10.727 -2.106 1.00 0.00 C ATOM 855 CD1 ILE A 58 5.927 10.589 -1.759 1.00 0.00 C ATOM 0 H ILE A 58 4.643 7.499 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 58 2.822 7.994 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 58 4.018 9.979 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.042 8.691 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.822 8.800 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.720 11.626 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.164 10.948 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.901 10.392 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.878 10.308 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.111 11.234 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.320 11.123 -1.028 1.00 0.00 H new ATOM 867 N LYS A 59 1.674 8.913 -4.877 1.00 0.00 N ATOM 868 CA LYS A 59 0.461 9.230 -5.621 1.00 0.00 C ATOM 869 C LYS A 59 -0.619 8.181 -5.373 1.00 0.00 C ATOM 870 O LYS A 59 -1.803 8.505 -5.277 1.00 0.00 O ATOM 871 CB LYS A 59 0.765 9.321 -7.118 1.00 0.00 C ATOM 872 CG LYS A 59 1.731 10.437 -7.475 1.00 0.00 C ATOM 873 CD LYS A 59 1.702 10.744 -8.963 1.00 0.00 C ATOM 874 CE LYS A 59 2.972 11.451 -9.411 1.00 0.00 C ATOM 875 NZ LYS A 59 3.129 11.423 -10.892 1.00 0.00 N ATOM 0 H LYS A 59 2.522 8.893 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 59 0.093 10.195 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.180 8.371 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.168 9.472 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.475 11.335 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.741 10.153 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.583 9.817 -9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.838 11.368 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.953 12.485 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.836 10.976 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.006 11.915 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.173 10.436 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.318 11.898 -11.336 1.00 0.00 H new ATOM 889 N LEU A 60 -0.203 6.924 -5.270 1.00 0.00 N ATOM 890 CA LEU A 60 -1.135 5.827 -5.032 1.00 0.00 C ATOM 891 C LEU A 60 -1.829 5.985 -3.683 1.00 0.00 C ATOM 892 O LEU A 60 -3.044 5.813 -3.575 1.00 0.00 O ATOM 893 CB LEU A 60 -0.400 4.486 -5.086 1.00 0.00 C ATOM 894 CG LEU A 60 -1.257 3.241 -4.859 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.522 3.038 -3.375 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.567 3.348 -5.626 1.00 0.00 C ATOM 0 H LEU A 60 0.773 6.639 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.893 5.851 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.082 4.398 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.392 4.498 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.710 2.375 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.134 2.147 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.575 2.915 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.048 3.906 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.164 2.453 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.118 4.224 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.358 3.444 -6.691 1.00 0.00 H new ATOM 908 N ILE A 61 -1.051 6.315 -2.658 1.00 0.00 N ATOM 909 CA ILE A 61 -1.591 6.500 -1.317 1.00 0.00 C ATOM 910 C ILE A 61 -2.615 7.629 -1.288 1.00 0.00 C ATOM 911 O ILE A 61 -3.795 7.405 -1.022 1.00 0.00 O ATOM 912 CB ILE A 61 -0.478 6.805 -0.298 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.519 5.646 -0.236 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.076 7.071 1.076 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.120 4.318 0.106 1.00 0.00 C ATOM 0 H ILE A 61 -0.044 6.460 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.077 5.564 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 61 0.054 7.700 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.024 5.560 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.284 5.874 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.277 7.285 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.750 7.926 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.630 6.193 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.645 3.542 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.601 4.386 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.865 4.067 -0.649 1.00 0.00 H new ATOM 927 N ASN A 62 -2.155 8.845 -1.566 1.00 0.00 N ATOM 928 CA ASN A 62 -3.032 10.011 -1.573 1.00 0.00 C ATOM 929 C ASN A 62 -4.267 9.757 -2.432 1.00 0.00 C ATOM 930 O ASN A 62 -5.378 10.148 -2.071 1.00 0.00 O ATOM 931 CB ASN A 62 -2.279 11.237 -2.093 1.00 0.00 C ATOM 932 CG ASN A 62 -1.368 11.844 -1.044 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.732 11.945 0.128 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.175 12.252 -1.461 1.00 0.00 N ATOM 0 H ASN A 62 -1.181 9.049 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.356 10.198 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.688 10.954 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.997 11.987 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.481 12.668 -0.800 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.085 12.149 -2.442 1.00 0.00 H new ATOM 941 N PHE A 63 -4.066 9.099 -3.569 1.00 0.00 N ATOM 942 CA PHE A 63 -5.164 8.793 -4.479 1.00 0.00 C ATOM 943 C PHE A 63 -6.328 8.151 -3.731 1.00 0.00 C ATOM 944 O PHE A 63 -7.476 8.577 -3.863 1.00 0.00 O ATOM 945 CB PHE A 63 -4.684 7.862 -5.595 1.00 0.00 C ATOM 946 CG PHE A 63 -5.787 7.052 -6.215 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.671 7.632 -7.110 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.939 5.711 -5.902 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.686 6.889 -7.683 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.952 4.963 -6.472 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.828 5.553 -7.362 1.00 0.00 C ATOM 0 H PHE A 63 -3.154 8.768 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.510 9.728 -4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.200 8.456 -6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.929 7.186 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.566 8.677 -7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.258 5.245 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.367 7.353 -8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.058 3.918 -6.222 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.622 4.971 -7.806 1.00 0.00 H new ATOM 961 N ILE A 64 -6.024 7.123 -2.945 1.00 0.00 N ATOM 962 CA ILE A 64 -7.044 6.422 -2.176 1.00 0.00 C ATOM 963 C ILE A 64 -7.585 7.300 -1.052 1.00 0.00 C ATOM 964 O ILE A 64 -8.722 7.131 -0.611 1.00 0.00 O ATOM 965 CB ILE A 64 -6.496 5.115 -1.573 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.818 4.273 -2.656 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.615 4.329 -0.906 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.376 2.910 -2.172 1.00 0.00 C ATOM 0 H ILE A 64 -5.079 6.758 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.852 6.182 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.753 5.365 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.507 4.147 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.951 4.814 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.212 3.408 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.057 4.929 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.379 4.086 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.904 2.368 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.663 3.027 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.242 2.351 -1.819 1.00 0.00 H new ATOM 980 N ARG A 65 -6.763 8.238 -0.594 1.00 0.00 N ATOM 981 CA ARG A 65 -7.158 9.143 0.478 1.00 0.00 C ATOM 982 C ARG A 65 -8.197 10.147 -0.013 1.00 0.00 C ATOM 983 O ARG A 65 -9.096 10.541 0.731 1.00 0.00 O ATOM 984 CB ARG A 65 -5.937 9.884 1.026 1.00 0.00 C ATOM 985 CG ARG A 65 -4.815 8.962 1.475 1.00 0.00 C ATOM 986 CD ARG A 65 -4.972 8.565 2.935 1.00 0.00 C ATOM 987 NE ARG A 65 -3.683 8.310 3.573 1.00 0.00 N ATOM 988 CZ ARG A 65 -3.556 7.775 4.783 1.00 0.00 C ATOM 989 NH1 ARG A 65 -4.633 7.441 5.480 1.00 0.00 N ATOM 990 NH2 ARG A 65 -2.349 7.574 5.296 1.00 0.00 N ATOM 0 H ARG A 65 -5.819 8.391 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.601 8.548 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.557 10.558 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.246 10.503 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.806 8.067 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.855 9.459 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.492 9.358 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.594 7.672 3.003 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.835 8.556 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.562 7.594 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.533 7.031 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.519 7.830 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.251 7.163 6.225 1.00 0.00 H new ATOM 1004 N LEU A 66 -8.068 10.557 -1.270 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.996 11.515 -1.861 1.00 0.00 C ATOM 1006 C LEU A 66 -10.187 10.801 -2.493 1.00 0.00 C ATOM 1007 O LEU A 66 -11.339 11.074 -2.155 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.280 12.365 -2.913 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.974 13.669 -3.306 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.949 14.718 -3.710 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.965 13.427 -4.436 1.00 0.00 C ATOM 0 H LEU A 66 -7.330 10.241 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.365 12.164 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.284 12.604 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.149 11.761 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.523 14.041 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.461 15.640 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.278 14.913 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.372 14.354 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.449 14.366 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.438 13.032 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.719 12.709 -4.112 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.901 9.884 -3.411 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.947 9.127 -4.089 1.00 0.00 C ATOM 1025 C LYS A 67 -11.674 8.209 -3.112 1.00 0.00 C ATOM 1026 O LYS A 67 -12.903 8.161 -3.087 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.351 8.304 -5.232 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.863 9.146 -6.398 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.022 9.710 -7.202 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.544 10.343 -8.500 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.541 11.305 -9.048 1.00 0.00 N ATOM 0 H LYS A 67 -8.953 9.647 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.667 9.836 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.519 7.714 -4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.102 7.601 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.246 9.963 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.230 8.540 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.733 8.914 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.551 10.454 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.599 10.858 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.351 9.562 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.178 11.715 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.435 10.808 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.707 12.064 -8.357 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.905 7.481 -2.307 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.476 6.564 -1.327 1.00 0.00 C ATOM 1047 C ASN A 68 -12.267 5.456 -2.016 1.00 0.00 C ATOM 1048 O ASN A 68 -13.409 5.162 -1.662 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.382 7.324 -0.355 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.602 7.982 0.766 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.687 9.194 0.968 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -10.836 7.185 1.502 1.00 0.00 N ATOM 0 H ASN A 68 -9.885 7.509 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.657 6.109 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.940 8.085 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.113 6.636 0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.288 7.572 2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.796 6.186 1.299 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.646 4.824 -3.023 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.273 3.737 -3.782 1.00 0.00 C ATOM 1061 C PRO A 69 -12.430 2.467 -2.952 1.00 0.00 C ATOM 1062 O PRO A 69 -12.290 2.491 -1.729 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.297 3.503 -4.938 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.981 3.976 -4.424 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.285 5.122 -3.499 1.00 0.00 C ATOM 0 HA PRO A 69 -13.282 3.993 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.258 2.450 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.597 4.057 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.458 3.178 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.335 4.295 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.573 5.173 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.241 6.080 -4.018 1.00 0.00 H new ATOM 1073 N THR A 70 -12.722 1.359 -3.625 1.00 0.00 N ATOM 1074 CA THR A 70 -12.899 0.079 -2.951 1.00 0.00 C ATOM 1075 C THR A 70 -11.901 -0.954 -3.460 1.00 0.00 C ATOM 1076 O THR A 70 -11.514 -0.934 -4.629 1.00 0.00 O ATOM 1077 CB THR A 70 -14.327 -0.464 -3.143 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.467 -1.722 -2.472 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.647 -0.634 -4.621 1.00 0.00 C ATOM 0 H THR A 70 -12.841 1.322 -4.637 1.00 0.00 H new ATOM 0 HA THR A 70 -12.725 0.254 -1.889 1.00 0.00 H new ATOM 0 HB THR A 70 -15.026 0.255 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.378 -2.060 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.661 -1.019 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.568 0.330 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.942 -1.335 -5.068 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.488 -1.858 -2.577 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.536 -2.901 -2.939 1.00 0.00 C ATOM 1089 C VAL A 71 -10.810 -3.434 -4.340 1.00 0.00 C ATOM 1090 O VAL A 71 -9.985 -3.292 -5.242 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.579 -4.072 -1.939 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.637 -5.183 -2.376 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.234 -3.588 -0.538 1.00 0.00 C ATOM 0 H VAL A 71 -11.798 -1.889 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.545 -2.447 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.592 -4.475 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.681 -6.001 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.935 -5.547 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.618 -4.798 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.269 -4.428 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.232 -3.159 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.953 -2.830 -0.227 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.977 -4.047 -4.516 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.360 -4.602 -5.809 1.00 0.00 C ATOM 1105 C GLU A 72 -11.908 -3.691 -6.947 1.00 0.00 C ATOM 1106 O GLU A 72 -11.430 -4.161 -7.980 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.875 -4.804 -5.874 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.670 -3.544 -5.572 1.00 0.00 C ATOM 1109 CD GLU A 72 -16.143 -3.691 -5.904 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.896 -4.199 -5.048 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.541 -3.296 -7.020 1.00 0.00 O ATOM 0 H GLU A 72 -12.672 -4.172 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.867 -5.568 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.143 -5.163 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.160 -5.582 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.562 -3.295 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.254 -2.712 -6.140 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.064 -2.387 -6.751 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.675 -1.410 -7.761 1.00 0.00 C ATOM 1120 C TYR A 73 -10.157 -1.318 -7.874 1.00 0.00 C ATOM 1121 O TYR A 73 -9.599 -1.396 -8.968 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.256 -0.036 -7.422 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.818 1.058 -8.369 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -10.582 1.676 -8.222 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -12.639 1.474 -9.410 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -10.177 2.676 -9.085 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -12.241 2.472 -10.278 1.00 0.00 C ATOM 1128 CZ TYR A 73 -11.010 3.070 -10.111 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.611 4.066 -10.973 1.00 0.00 O ATOM 0 H TYR A 73 -12.457 -1.982 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.073 -1.739 -8.721 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.344 -0.099 -7.431 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.961 0.234 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.927 1.369 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.605 1.009 -9.543 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.213 3.147 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.891 2.782 -11.083 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.313 4.223 -11.639 1.00 0.00 H new ATOM 1139 N MET A 74 -9.494 -1.152 -6.734 1.00 0.00 N ATOM 1140 CA MET A 74 -8.039 -1.052 -6.704 1.00 0.00 C ATOM 1141 C MET A 74 -7.401 -2.145 -7.556 1.00 0.00 C ATOM 1142 O MET A 74 -6.438 -1.897 -8.280 1.00 0.00 O ATOM 1143 CB MET A 74 -7.529 -1.148 -5.265 1.00 0.00 C ATOM 1144 CG MET A 74 -7.833 0.086 -4.430 1.00 0.00 C ATOM 1145 SD MET A 74 -7.078 1.580 -5.098 1.00 0.00 S ATOM 1146 CE MET A 74 -5.378 1.048 -5.281 1.00 0.00 C ATOM 0 H MET A 74 -9.941 -1.084 -5.820 1.00 0.00 H new ATOM 0 HA MET A 74 -7.758 -0.083 -7.117 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.976 -2.020 -4.787 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.451 -1.310 -5.280 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.913 0.224 -4.372 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.477 -0.072 -3.412 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.759 1.899 -5.567 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.020 0.641 -4.335 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.318 0.280 -6.053 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.944 -3.354 -7.463 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.427 -4.485 -8.225 1.00 0.00 C ATOM 1158 C ASN A 75 -7.664 -4.288 -9.719 1.00 0.00 C ATOM 1159 O ASN A 75 -6.893 -4.771 -10.549 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.086 -5.785 -7.759 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.563 -6.249 -6.414 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.353 -6.302 -6.190 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.475 -6.588 -5.509 1.00 0.00 N ATOM 0 H ASN A 75 -8.742 -3.576 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.353 -4.548 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.164 -5.640 -7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.912 -6.564 -8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.183 -6.908 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.467 -6.529 -5.738 1.00 0.00 H new ATOM 1170 N SER A 76 -8.735 -3.576 -10.054 1.00 0.00 N ATOM 1171 CA SER A 76 -9.075 -3.318 -11.448 1.00 0.00 C ATOM 1172 C SER A 76 -8.645 -1.914 -11.862 1.00 0.00 C ATOM 1173 O SER A 76 -9.461 -0.993 -11.911 1.00 0.00 O ATOM 1174 CB SER A 76 -10.580 -3.488 -11.668 1.00 0.00 C ATOM 1175 OG SER A 76 -10.919 -3.315 -13.033 1.00 0.00 O ATOM 0 H SER A 76 -9.382 -3.168 -9.379 1.00 0.00 H new ATOM 0 HA SER A 76 -8.540 -4.040 -12.066 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.889 -4.479 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.123 -2.764 -11.061 1.00 0.00 H new ATOM 0 HG SER A 76 -11.885 -3.430 -13.147 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.359 -1.758 -12.157 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.821 -0.467 -12.567 1.00 0.00 C ATOM 1183 C ILE A 77 -5.732 -0.635 -13.621 1.00 0.00 C ATOM 1184 O ILE A 77 -4.984 -1.613 -13.606 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.242 0.308 -11.368 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.362 0.714 -10.407 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.479 1.533 -11.848 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -6.863 1.154 -9.049 1.00 0.00 C ATOM 0 H ILE A 77 -6.670 -2.510 -12.120 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.650 0.100 -12.991 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.548 -0.342 -10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.937 1.525 -10.854 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.043 -0.127 -10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.076 2.070 -10.989 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.661 1.221 -12.497 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.152 2.187 -12.402 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.711 1.427 -8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.313 0.337 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.205 2.015 -9.165 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.650 0.324 -14.536 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.653 0.283 -15.599 1.00 0.00 C ATOM 1202 C TYR A 78 -4.159 1.686 -15.938 1.00 0.00 C ATOM 1203 O TYR A 78 -4.529 2.661 -15.285 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.236 -0.380 -16.848 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.123 -1.567 -16.545 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.429 -1.389 -16.105 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -5.654 -2.866 -16.699 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.242 -2.471 -15.827 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -6.461 -3.953 -16.424 1.00 0.00 C ATOM 1210 CZ TYR A 78 -7.754 -3.751 -15.988 1.00 0.00 C ATOM 1211 OH TYR A 78 -8.560 -4.831 -15.712 1.00 0.00 O ATOM 0 H TYR A 78 -6.262 1.140 -14.563 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.806 -0.305 -15.245 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.810 0.359 -17.407 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.419 -0.703 -17.493 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.815 -0.388 -15.978 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.642 -3.028 -17.039 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.255 -2.315 -15.485 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.081 -4.956 -16.550 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.064 -5.660 -15.878 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.321 1.779 -16.966 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.775 3.062 -17.393 1.00 0.00 C ATOM 1223 C ASN A 79 -3.623 3.670 -18.507 1.00 0.00 C ATOM 1224 O ASN A 79 -4.138 2.972 -19.380 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.332 2.892 -17.871 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.556 1.901 -17.025 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.529 0.705 -17.319 1.00 0.00 O ATOM 1228 ND2 ASN A 79 0.080 2.394 -15.969 1.00 0.00 N ATOM 0 H ASN A 79 -3.006 0.981 -17.518 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.790 3.738 -16.538 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.333 2.558 -18.908 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.828 3.858 -17.848 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.619 1.775 -15.363 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.030 3.392 -15.764 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.772 5.003 -18.477 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.164 5.844 -17.441 1.00 0.00 C ATOM 1237 C PRO A 80 -3.813 5.642 -16.076 1.00 0.00 C ATOM 1238 O PRO A 80 -5.036 5.700 -15.944 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.415 7.266 -17.948 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.620 7.152 -18.817 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.545 5.791 -19.451 1.00 0.00 C ATOM 0 HA PRO A 80 -2.110 5.610 -17.291 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.587 7.956 -17.122 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.559 7.644 -18.506 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.534 7.261 -18.233 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.630 7.936 -19.575 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.536 5.368 -19.613 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.051 5.827 -20.422 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.986 5.406 -15.062 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.480 5.197 -13.706 1.00 0.00 C ATOM 1251 C VAL A 81 -4.278 6.402 -13.220 1.00 0.00 C ATOM 1252 O VAL A 81 -4.049 7.538 -13.636 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.324 4.930 -12.723 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.316 3.968 -13.332 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.653 6.236 -12.324 1.00 0.00 C ATOM 0 H VAL A 81 -1.971 5.355 -15.154 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.130 4.323 -13.737 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.733 4.468 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.507 3.792 -12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.808 3.023 -13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.909 4.398 -14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.839 6.029 -11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.256 6.727 -13.212 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.383 6.888 -11.844 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.238 6.151 -12.318 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.089 7.202 -11.754 1.00 0.00 C ATOM 1267 C PRO A 82 -5.320 8.134 -10.823 1.00 0.00 C ATOM 1268 O PRO A 82 -5.866 9.120 -10.327 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.149 6.421 -10.973 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.491 5.128 -10.633 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.565 4.821 -11.777 1.00 0.00 C ATOM 0 HA PRO A 82 -6.502 7.850 -12.527 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.455 6.958 -10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.046 6.264 -11.572 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.941 5.205 -9.695 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.229 4.336 -10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.672 4.293 -11.441 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.046 4.190 -12.525 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.052 7.815 -10.590 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.209 8.625 -9.718 1.00 0.00 C ATOM 1281 C TRP A 83 -2.020 9.193 -10.485 1.00 0.00 C ATOM 1282 O TRP A 83 -0.964 9.451 -9.908 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.716 7.791 -8.534 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.853 6.635 -8.939 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.542 6.684 -9.317 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.242 5.259 -9.009 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.091 5.421 -9.618 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.115 4.529 -9.436 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.431 4.572 -8.751 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.145 3.148 -9.610 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.459 3.201 -8.925 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.323 2.501 -9.351 1.00 0.00 C ATOM 0 H TRP A 83 -3.585 7.002 -10.992 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.807 9.456 -9.345 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.155 8.433 -7.855 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.576 7.416 -7.980 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.053 7.583 -9.372 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.852 5.186 -9.927 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.312 5.103 -8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.270 2.607 -9.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.373 2.660 -8.729 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.378 1.430 -9.478 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.199 9.385 -11.789 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.139 9.922 -12.634 1.00 0.00 C ATOM 1305 C GLU A 84 -1.182 11.448 -12.657 1.00 0.00 C ATOM 1306 O GLU A 84 -0.872 12.074 -13.670 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.265 9.376 -14.057 1.00 0.00 C ATOM 1308 CG GLU A 84 -0.196 8.358 -14.415 1.00 0.00 C ATOM 1309 CD GLU A 84 0.078 8.299 -15.906 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.202 9.374 -16.528 1.00 0.00 O ATOM 1311 OE2 GLU A 84 0.169 7.178 -16.449 1.00 0.00 O ATOM 0 H GLU A 84 -3.067 9.177 -12.282 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.182 9.609 -12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.246 8.917 -14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.215 10.206 -14.761 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.726 8.605 -13.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.507 7.373 -14.067 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.570 12.039 -11.532 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.654 13.491 -11.420 1.00 0.00 C ATOM 1320 C LYS A 85 -0.768 14.002 -10.288 1.00 0.00 C ATOM 1321 O LYS A 85 -0.728 13.417 -9.206 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.103 13.921 -11.182 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.066 13.432 -12.249 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.058 14.340 -13.467 1.00 0.00 C ATOM 1325 CE LYS A 85 -4.522 13.604 -14.715 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.151 14.525 -15.701 1.00 0.00 N ATOM 0 H LYS A 85 -1.831 11.535 -10.685 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.302 13.924 -12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.429 13.547 -10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.147 15.009 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.796 12.419 -12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.074 13.384 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.706 15.197 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.052 14.729 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.672 13.102 -15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.236 12.829 -14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.453 13.985 -16.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.977 14.985 -15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.462 15.250 -15.988 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.060 15.096 -10.546 1.00 0.00 N ATOM 1341 CA ASP A 86 0.824 15.687 -9.547 1.00 0.00 C ATOM 1342 C ASP A 86 0.055 16.025 -8.273 1.00 0.00 C ATOM 1343 O ASP A 86 0.492 15.700 -7.170 1.00 0.00 O ATOM 1344 CB ASP A 86 1.489 16.946 -10.106 1.00 0.00 C ATOM 1345 CG ASP A 86 1.909 17.911 -9.015 1.00 0.00 C ATOM 1346 OD1 ASP A 86 1.021 18.556 -8.419 1.00 0.00 O ATOM 1347 OD2 ASP A 86 3.126 18.022 -8.757 1.00 0.00 O ATOM 0 H ASP A 86 -0.081 15.591 -11.437 1.00 0.00 H new ATOM 0 HA ASP A 86 1.595 14.957 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.363 16.662 -10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.799 17.447 -10.785 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.090 16.680 -8.436 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.917 17.064 -7.298 1.00 0.00 C ATOM 1354 C GLU A 87 -1.867 16.000 -6.205 1.00 0.00 C ATOM 1355 O GLU A 87 -1.701 16.313 -5.026 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.364 17.285 -7.743 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.529 18.428 -8.730 1.00 0.00 C ATOM 1358 CD GLU A 87 -4.934 19.000 -8.732 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -5.892 18.222 -8.540 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.075 20.226 -8.924 1.00 0.00 O ATOM 0 H GLU A 87 -1.466 16.955 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.522 17.996 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.740 16.368 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.979 17.482 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.819 19.219 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.283 18.076 -9.732 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.012 14.742 -6.606 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.986 13.631 -5.662 1.00 0.00 C ATOM 1369 C TYR A 88 -0.710 13.655 -4.827 1.00 0.00 C ATOM 1370 O TYR A 88 -0.744 13.459 -3.611 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.097 12.299 -6.406 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.471 12.039 -6.981 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.586 11.950 -6.155 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.655 11.882 -8.349 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.843 11.712 -6.676 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.909 11.646 -8.878 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.999 11.561 -8.038 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.250 11.324 -8.562 1.00 0.00 O ATOM 0 H TYR A 88 -2.149 14.466 -7.578 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.839 13.737 -4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.365 12.282 -7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.839 11.489 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.467 12.069 -5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.803 11.946 -9.010 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.699 11.645 -6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.035 11.529 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.198 10.598 -9.218 1.00 0.00 H new ATOM 1388 N LEU A 89 0.417 13.898 -5.487 1.00 0.00 N ATOM 1389 CA LEU A 89 1.707 13.950 -4.808 1.00 0.00 C ATOM 1390 C LEU A 89 1.572 14.597 -3.433 1.00 0.00 C ATOM 1391 O LEU A 89 2.161 14.133 -2.456 1.00 0.00 O ATOM 1392 CB LEU A 89 2.720 14.725 -5.652 1.00 0.00 C ATOM 1393 CG LEU A 89 3.161 14.055 -6.954 1.00 0.00 C ATOM 1394 CD1 LEU A 89 4.029 14.998 -7.772 1.00 0.00 C ATOM 1395 CD2 LEU A 89 3.905 12.760 -6.662 1.00 0.00 C ATOM 0 H LEU A 89 0.464 14.062 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 89 2.062 12.928 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.292 15.698 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.605 14.909 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 89 2.271 13.816 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.333 14.504 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.463 15.898 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.914 15.269 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.211 12.297 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.787 12.975 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.250 12.079 -6.118 1.00 0.00 H new ATOM 1407 N LYS A 90 0.792 15.670 -3.364 1.00 0.00 N ATOM 1408 CA LYS A 90 0.577 16.380 -2.109 1.00 0.00 C ATOM 1409 C LYS A 90 -0.075 15.469 -1.073 1.00 0.00 C ATOM 1410 O LYS A 90 -0.969 14.680 -1.380 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.299 17.614 -2.341 1.00 0.00 C ATOM 1412 CG LYS A 90 0.480 18.835 -2.799 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.436 19.887 -3.401 1.00 0.00 C ATOM 1414 CE LYS A 90 -0.892 19.495 -4.798 1.00 0.00 C ATOM 1415 NZ LYS A 90 -2.101 20.255 -5.221 1.00 0.00 N ATOM 0 H LYS A 90 0.298 16.067 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 90 1.548 16.697 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.057 17.376 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.825 17.855 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.019 19.262 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.226 18.537 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.306 20.025 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.085 20.844 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.084 19.674 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.107 18.427 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.380 19.959 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.880 20.065 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.888 21.273 -5.222 1.00 0.00 H new ATOM 1429 N PRO A 91 0.381 15.580 0.183 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.145 14.775 1.290 1.00 0.00 C ATOM 1431 C PRO A 91 -1.569 15.169 1.667 1.00 0.00 C ATOM 1432 O PRO A 91 -1.784 16.151 2.378 1.00 0.00 O ATOM 1433 CB PRO A 91 0.817 15.081 2.440 1.00 0.00 C ATOM 1434 CG PRO A 91 1.373 16.426 2.121 1.00 0.00 C ATOM 1435 CD PRO A 91 1.445 16.499 0.621 1.00 0.00 C ATOM 0 HA PRO A 91 -0.201 13.717 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.299 15.084 3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.606 14.332 2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.737 17.216 2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.360 16.556 2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.274 17.513 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.422 16.189 0.250 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.539 14.397 1.188 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.943 14.664 1.477 1.00 0.00 C ATOM 1445 C VAL A 92 -4.156 14.935 2.962 1.00 0.00 C ATOM 1446 O VAL A 92 -4.959 15.790 3.339 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.839 13.488 1.046 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.298 13.789 1.350 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.645 13.184 -0.432 1.00 0.00 C ATOM 0 H VAL A 92 -2.378 13.581 0.598 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.221 15.550 0.906 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.549 12.605 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.916 12.947 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.420 13.952 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.605 14.684 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.286 12.350 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.907 14.063 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.603 12.921 -0.616 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.433 14.202 3.801 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.543 14.362 5.247 1.00 0.00 C ATOM 1461 C LEU A 93 -2.283 15.003 5.820 1.00 0.00 C ATOM 1462 O LEU A 93 -1.383 15.397 5.079 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.789 13.008 5.913 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.602 11.998 5.102 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.685 11.136 4.248 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.447 11.131 6.023 1.00 0.00 C ATOM 0 H LEU A 93 -2.764 13.491 3.505 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.388 15.019 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.823 12.561 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.301 13.179 6.860 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.270 12.548 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.282 10.424 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.124 11.771 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.991 10.595 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.019 10.418 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.797 10.591 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.131 11.762 6.590 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.225 15.100 7.145 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.074 15.691 7.817 1.00 0.00 C ATOM 1480 C GLU A 94 -0.250 14.621 8.528 1.00 0.00 C ATOM 1481 O GLU A 94 -0.797 13.662 9.073 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.531 16.751 8.822 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.397 17.333 9.650 1.00 0.00 C ATOM 1484 CD GLU A 94 0.228 18.555 9.004 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -0.479 19.572 8.848 1.00 0.00 O ATOM 1486 OE2 GLU A 94 1.426 18.493 8.656 1.00 0.00 O ATOM 0 H GLU A 94 -2.961 14.777 7.773 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.447 16.164 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.029 17.558 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.270 16.310 9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.773 17.601 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.369 16.572 9.796 1.00 0.00 H new ATOM 1493 N ASP A 95 1.067 14.793 8.518 1.00 0.00 N ATOM 1494 CA ASP A 95 1.967 13.843 9.162 1.00 0.00 C ATOM 1495 C ASP A 95 1.765 12.438 8.603 1.00 0.00 C ATOM 1496 O ASP A 95 1.689 11.465 9.353 1.00 0.00 O ATOM 1497 CB ASP A 95 1.742 13.840 10.675 1.00 0.00 C ATOM 1498 CG ASP A 95 2.905 13.230 11.432 1.00 0.00 C ATOM 1499 OD1 ASP A 95 3.510 12.268 10.914 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.210 13.714 12.542 1.00 0.00 O ATOM 0 H ASP A 95 1.535 15.581 8.071 1.00 0.00 H new ATOM 0 HA ASP A 95 2.991 14.153 8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.585 14.863 11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.832 13.284 10.903 1.00 0.00 H new ATOM 1505 N ASP A 96 1.678 12.340 7.281 1.00 0.00 N ATOM 1506 CA ASP A 96 1.485 11.054 6.620 1.00 0.00 C ATOM 1507 C ASP A 96 2.750 10.205 6.705 1.00 0.00 C ATOM 1508 O ASP A 96 3.767 10.523 6.087 1.00 0.00 O ATOM 1509 CB ASP A 96 1.093 11.263 5.157 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.340 11.734 5.003 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -1.235 11.128 5.630 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.567 12.708 4.257 1.00 0.00 O ATOM 0 H ASP A 96 1.738 13.136 6.646 1.00 0.00 H new ATOM 0 HA ASP A 96 0.680 10.527 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.763 11.994 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.226 10.329 4.611 1.00 0.00 H new ATOM 1517 N LEU A 97 2.679 9.124 7.474 1.00 0.00 N ATOM 1518 CA LEU A 97 3.819 8.228 7.640 1.00 0.00 C ATOM 1519 C LEU A 97 3.984 7.325 6.422 1.00 0.00 C ATOM 1520 O LEU A 97 5.102 6.970 6.047 1.00 0.00 O ATOM 1521 CB LEU A 97 3.644 7.378 8.900 1.00 0.00 C ATOM 1522 CG LEU A 97 3.273 8.135 10.175 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.727 7.179 11.224 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.479 8.890 10.716 1.00 0.00 C ATOM 0 H LEU A 97 1.845 8.847 7.992 1.00 0.00 H new ATOM 0 HA LEU A 97 4.717 8.837 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.873 6.633 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.573 6.836 9.080 1.00 0.00 H new ATOM 0 HG LEU A 97 2.495 8.858 9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.468 7.736 12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.837 6.683 10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.483 6.432 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.197 9.423 11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.278 8.184 10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.827 9.604 9.969 1.00 0.00 H new ATOM 1536 N LEU A 98 2.865 6.960 5.807 1.00 0.00 N ATOM 1537 CA LEU A 98 2.886 6.100 4.628 1.00 0.00 C ATOM 1538 C LEU A 98 3.796 6.678 3.549 1.00 0.00 C ATOM 1539 O LEU A 98 4.470 5.939 2.830 1.00 0.00 O ATOM 1540 CB LEU A 98 1.470 5.924 4.076 1.00 0.00 C ATOM 1541 CG LEU A 98 0.453 5.291 5.027 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.921 5.234 4.378 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.907 3.899 5.444 1.00 0.00 C ATOM 0 H LEU A 98 1.932 7.246 6.104 1.00 0.00 H new ATOM 0 HA LEU A 98 3.277 5.127 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.095 6.902 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.526 5.312 3.176 1.00 0.00 H new ATOM 0 HG LEU A 98 0.384 5.912 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.631 4.781 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.249 6.244 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.869 4.637 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.171 3.464 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.005 3.268 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.870 3.967 5.950 1.00 0.00 H new ATOM 1555 N LEU A 99 3.813 8.002 3.443 1.00 0.00 N ATOM 1556 CA LEU A 99 4.643 8.679 2.452 1.00 0.00 C ATOM 1557 C LEU A 99 6.121 8.566 2.811 1.00 0.00 C ATOM 1558 O LEU A 99 6.964 8.344 1.943 1.00 0.00 O ATOM 1559 CB LEU A 99 4.243 10.152 2.346 1.00 0.00 C ATOM 1560 CG LEU A 99 2.782 10.427 1.989 1.00 0.00 C ATOM 1561 CD1 LEU A 99 2.627 11.828 1.418 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.269 9.388 1.003 1.00 0.00 C ATOM 0 H LEU A 99 3.262 8.628 4.030 1.00 0.00 H new ATOM 0 HA LEU A 99 4.485 8.195 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.461 10.636 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.875 10.626 1.595 1.00 0.00 H new ATOM 0 HG LEU A 99 2.187 10.360 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.581 12.006 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.954 12.560 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.235 11.923 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.228 9.600 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.868 9.423 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.343 8.396 1.448 1.00 0.00 H new ATOM 1574 N GLN A 100 6.426 8.718 4.096 1.00 0.00 N ATOM 1575 CA GLN A 100 7.802 8.631 4.569 1.00 0.00 C ATOM 1576 C GLN A 100 8.225 7.177 4.750 1.00 0.00 C ATOM 1577 O GLN A 100 9.255 6.891 5.362 1.00 0.00 O ATOM 1578 CB GLN A 100 7.959 9.388 5.889 1.00 0.00 C ATOM 1579 CG GLN A 100 7.567 8.571 7.109 1.00 0.00 C ATOM 1580 CD GLN A 100 7.816 9.308 8.410 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.134 10.498 8.412 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.671 8.605 9.527 1.00 0.00 N ATOM 0 H GLN A 100 5.739 8.902 4.827 1.00 0.00 H new ATOM 0 HA GLN A 100 8.447 9.087 3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.996 9.708 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.349 10.291 5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.511 8.308 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.129 7.637 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.406 7.621 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.824 9.049 10.432 1.00 0.00 H new ATOM 1591 N PHE A 101 7.424 6.262 4.215 1.00 0.00 N ATOM 1592 CA PHE A 101 7.714 4.837 4.318 1.00 0.00 C ATOM 1593 C PHE A 101 8.892 4.456 3.426 1.00 0.00 C ATOM 1594 O PHE A 101 9.012 4.936 2.299 1.00 0.00 O ATOM 1595 CB PHE A 101 6.482 4.015 3.935 1.00 0.00 C ATOM 1596 CG PHE A 101 6.773 2.554 3.740 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.932 1.715 4.831 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.888 2.021 2.467 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.200 0.370 4.655 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.155 0.677 2.285 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.312 -0.149 3.381 1.00 0.00 C ATOM 0 H PHE A 101 6.568 6.482 3.705 1.00 0.00 H new ATOM 0 HA PHE A 101 7.979 4.619 5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.725 4.126 4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.057 4.419 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.846 2.116 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.768 2.663 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.322 -0.274 5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.241 0.273 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.522 -1.199 3.241 1.00 0.00 H new ATOM 1611 N ASP A 102 9.759 3.590 3.940 1.00 0.00 N ATOM 1612 CA ASP A 102 10.928 3.143 3.191 1.00 0.00 C ATOM 1613 C ASP A 102 10.524 2.186 2.074 1.00 0.00 C ATOM 1614 O ASP A 102 10.793 0.987 2.143 1.00 0.00 O ATOM 1615 CB ASP A 102 11.930 2.463 4.125 1.00 0.00 C ATOM 1616 CG ASP A 102 13.361 2.615 3.649 1.00 0.00 C ATOM 1617 OD1 ASP A 102 13.776 1.841 2.761 1.00 0.00 O ATOM 1618 OD2 ASP A 102 14.066 3.507 4.164 1.00 0.00 O ATOM 0 H ASP A 102 9.674 3.184 4.872 1.00 0.00 H new ATOM 0 HA ASP A 102 11.398 4.018 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.836 2.887 5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.687 1.403 4.204 1.00 0.00 H new ATOM 1623 N VAL A 103 9.875 2.724 1.046 1.00 0.00 N ATOM 1624 CA VAL A 103 9.434 1.917 -0.086 1.00 0.00 C ATOM 1625 C VAL A 103 10.622 1.322 -0.833 1.00 0.00 C ATOM 1626 O VAL A 103 10.501 0.286 -1.486 1.00 0.00 O ATOM 1627 CB VAL A 103 8.587 2.746 -1.069 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.436 3.818 -1.734 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.942 1.843 -2.110 1.00 0.00 C ATOM 0 H VAL A 103 9.643 3.715 0.974 1.00 0.00 H new ATOM 0 HA VAL A 103 8.823 1.111 0.319 1.00 0.00 H new ATOM 0 HB VAL A 103 7.794 3.241 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.820 4.393 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.845 4.483 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.253 3.348 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.347 2.446 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.718 1.318 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.298 1.117 -1.613 1.00 0.00 H new ATOM 1639 N GLU A 104 11.771 1.984 -0.731 1.00 0.00 N ATOM 1640 CA GLU A 104 12.981 1.519 -1.397 1.00 0.00 C ATOM 1641 C GLU A 104 13.202 0.030 -1.149 1.00 0.00 C ATOM 1642 O GLU A 104 13.593 -0.709 -2.053 1.00 0.00 O ATOM 1643 CB GLU A 104 14.195 2.314 -0.911 1.00 0.00 C ATOM 1644 CG GLU A 104 14.078 3.810 -1.148 1.00 0.00 C ATOM 1645 CD GLU A 104 15.326 4.565 -0.734 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.434 4.010 -0.886 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.194 5.713 -0.260 1.00 0.00 O ATOM 0 H GLU A 104 11.888 2.843 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 104 12.858 1.676 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.334 2.133 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.087 1.943 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.881 3.992 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.223 4.196 -0.593 1.00 0.00 H new ATOM 1654 N ASP A 105 12.948 -0.403 0.081 1.00 0.00 N ATOM 1655 CA ASP A 105 13.118 -1.804 0.449 1.00 0.00 C ATOM 1656 C ASP A 105 12.431 -2.718 -0.561 1.00 0.00 C ATOM 1657 O ASP A 105 12.918 -3.810 -0.858 1.00 0.00 O ATOM 1658 CB ASP A 105 12.557 -2.057 1.849 1.00 0.00 C ATOM 1659 CG ASP A 105 13.205 -3.248 2.526 1.00 0.00 C ATOM 1660 OD1 ASP A 105 13.638 -4.175 1.809 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.280 -3.255 3.773 1.00 0.00 O ATOM 0 H ASP A 105 12.624 0.196 0.840 1.00 0.00 H new ATOM 0 HA ASP A 105 14.185 -2.028 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.706 -1.169 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.482 -2.222 1.782 1.00 0.00 H new ATOM 1666 N LEU A 106 11.297 -2.266 -1.084 1.00 0.00 N ATOM 1667 CA LEU A 106 10.541 -3.043 -2.060 1.00 0.00 C ATOM 1668 C LEU A 106 11.325 -3.196 -3.360 1.00 0.00 C ATOM 1669 O LEU A 106 11.223 -4.215 -4.042 1.00 0.00 O ATOM 1670 CB LEU A 106 9.193 -2.377 -2.340 1.00 0.00 C ATOM 1671 CG LEU A 106 8.297 -2.140 -1.124 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.923 -1.653 -1.560 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.175 -3.410 -0.295 1.00 0.00 C ATOM 0 H LEU A 106 10.880 -1.365 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 106 10.369 -4.035 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.378 -1.417 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.647 -2.993 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 106 8.755 -1.368 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.299 -1.490 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.026 -0.718 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.458 -2.402 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.534 -3.222 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.741 -4.202 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.163 -3.717 0.048 1.00 0.00 H new