USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 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 46 MET CE :methyl -156:sc= -0.318 (180deg=-1.16) USER MOD Set 1.2: A 74 MET CE :methyl -140:sc= -4.14! (180deg=-4.35!) USER MOD Set 2.1: A 18 CYS SG : rot 78:sc= 2.45 USER MOD Set 2.2: A 21 CYS SG : rot -51:sc= -1.8 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -1.03 K(o=-1.5,f=-4.9) USER MOD Set 2.4: A 35 CYS SG : rot -96:sc= 1.53 USER MOD Set 2.5: A 39 HIS : no HD1:sc= -2.64! C(o=-1.5!,f=-2.7!) USER MOD Single : A 14 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.5!) USER MOD Single : A 15 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-0.99) USER MOD Single : A 16 THR OG1 : rot 120:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -65:sc= 1.04 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -4.35 X(o=-4.3,f=-4.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -33:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.57 K(o=-2.6,f=-8.4!) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0277) USER MOD Single : A 68 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.05) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.6) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -137:sc= -0.699 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0401) USER MOD Single : A 100 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.619 10.512 16.084 1.00 0.00 N ATOM 154 CA GLN A 14 2.199 10.610 14.691 1.00 0.00 C ATOM 155 C GLN A 14 1.510 9.327 14.239 1.00 0.00 C ATOM 156 O GLN A 14 2.152 8.288 14.079 1.00 0.00 O ATOM 157 CB GLN A 14 3.403 10.900 13.793 1.00 0.00 C ATOM 158 CG GLN A 14 4.529 9.889 13.939 1.00 0.00 C ATOM 159 CD GLN A 14 5.791 10.314 13.215 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.963 11.485 12.877 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.684 9.361 12.973 1.00 0.00 N ATOM 0 HA GLN A 14 1.487 11.431 14.609 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.075 10.918 12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.786 11.894 14.023 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.751 9.748 14.997 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.199 8.925 13.552 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.501 8.403 13.271 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.553 9.587 12.489 1.00 0.00 H new ATOM 170 N HIS A 15 0.199 9.405 14.034 1.00 0.00 N ATOM 171 CA HIS A 15 -0.577 8.249 13.600 1.00 0.00 C ATOM 172 C HIS A 15 -1.066 8.431 12.166 1.00 0.00 C ATOM 173 O HIS A 15 -1.322 9.551 11.723 1.00 0.00 O ATOM 174 CB HIS A 15 -1.768 8.029 14.533 1.00 0.00 C ATOM 175 CG HIS A 15 -1.431 7.234 15.757 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.758 7.765 16.837 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.680 5.941 16.069 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.606 6.832 17.760 1.00 0.00 C ATOM 179 NE2 HIS A 15 -1.157 5.716 17.319 1.00 0.00 N ATOM 0 H HIS A 15 -0.348 10.256 14.161 1.00 0.00 H new ATOM 0 HA HIS A 15 0.070 7.373 13.636 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.165 8.998 14.837 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.559 7.518 13.984 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.194 5.220 15.450 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.115 6.960 18.713 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.189 4.831 17.824 1.00 0.00 H new ATOM 187 N THR A 16 -1.193 7.321 11.444 1.00 0.00 N ATOM 188 CA THR A 16 -1.649 7.358 10.060 1.00 0.00 C ATOM 189 C THR A 16 -2.878 6.479 9.863 1.00 0.00 C ATOM 190 O THR A 16 -2.868 5.282 10.151 1.00 0.00 O ATOM 191 CB THR A 16 -0.542 6.898 9.092 1.00 0.00 C ATOM 192 OG1 THR A 16 -1.024 6.937 7.744 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.079 5.489 9.430 1.00 0.00 C ATOM 0 H THR A 16 -0.986 6.386 11.795 1.00 0.00 H new ATOM 0 HA THR A 16 -1.907 8.394 9.839 1.00 0.00 H new ATOM 0 HB THR A 16 0.305 7.576 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.472 7.552 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.703 5.186 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.313 5.469 10.447 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.921 4.801 9.353 1.00 0.00 H new ATOM 201 N PRO A 17 -3.965 7.084 9.360 1.00 0.00 N ATOM 202 CA PRO A 17 -5.223 6.374 9.112 1.00 0.00 C ATOM 203 C PRO A 17 -5.114 5.390 7.952 1.00 0.00 C ATOM 204 O PRO A 17 -4.086 5.321 7.277 1.00 0.00 O ATOM 205 CB PRO A 17 -6.203 7.498 8.768 1.00 0.00 C ATOM 206 CG PRO A 17 -5.348 8.599 8.243 1.00 0.00 C ATOM 207 CD PRO A 17 -4.048 8.508 8.994 1.00 0.00 C ATOM 0 HA PRO A 17 -5.527 5.772 9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.932 7.174 8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.764 7.817 9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.187 8.491 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.821 9.569 8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.204 8.814 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.047 9.150 9.875 1.00 0.00 H new ATOM 215 N CYS A 18 -6.180 4.629 7.726 1.00 0.00 N ATOM 216 CA CYS A 18 -6.204 3.648 6.648 1.00 0.00 C ATOM 217 C CYS A 18 -6.685 4.282 5.346 1.00 0.00 C ATOM 218 O CYS A 18 -7.302 5.349 5.353 1.00 0.00 O ATOM 219 CB CYS A 18 -7.110 2.472 7.021 1.00 0.00 C ATOM 220 SG CYS A 18 -7.093 1.108 5.814 1.00 0.00 S ATOM 0 H CYS A 18 -7.038 4.673 8.275 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.188 3.283 6.500 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.804 2.086 7.994 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.132 2.835 7.129 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.012 0.403 5.972 1.00 0.00 H new ATOM 225 N LEU A 19 -6.400 3.619 4.231 1.00 0.00 N ATOM 226 CA LEU A 19 -6.803 4.117 2.921 1.00 0.00 C ATOM 227 C LEU A 19 -8.251 3.744 2.618 1.00 0.00 C ATOM 228 O LEU A 19 -8.999 4.533 2.041 1.00 0.00 O ATOM 229 CB LEU A 19 -5.883 3.556 1.835 1.00 0.00 C ATOM 230 CG LEU A 19 -4.382 3.679 2.099 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.081 4.940 2.893 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.867 2.449 2.832 1.00 0.00 C ATOM 0 H LEU A 19 -5.891 2.735 4.208 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.722 5.204 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.122 2.502 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.110 4.063 0.897 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.868 3.747 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.008 5.010 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.413 5.812 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.606 4.903 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.797 2.554 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.387 2.349 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.048 1.562 2.225 1.00 0.00 H new ATOM 244 N PHE A 20 -8.641 2.537 3.014 1.00 0.00 N ATOM 245 CA PHE A 20 -10.000 2.059 2.787 1.00 0.00 C ATOM 246 C PHE A 20 -10.920 2.471 3.932 1.00 0.00 C ATOM 247 O PHE A 20 -12.027 2.962 3.709 1.00 0.00 O ATOM 248 CB PHE A 20 -10.009 0.536 2.633 1.00 0.00 C ATOM 249 CG PHE A 20 -9.112 0.039 1.536 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.582 -0.076 0.238 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.798 -0.312 1.803 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.758 -0.534 -0.773 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.970 -0.770 0.796 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.451 -0.880 -0.495 1.00 0.00 C ATOM 0 H PHE A 20 -8.035 1.872 3.494 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.369 2.512 1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.703 0.082 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.029 0.205 2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.603 0.195 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.417 -0.227 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.137 -0.621 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.948 -1.042 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.806 -1.236 -1.285 1.00 0.00 H new ATOM 264 N CYS A 21 -10.454 2.268 5.160 1.00 0.00 N ATOM 265 CA CYS A 21 -11.233 2.616 6.342 1.00 0.00 C ATOM 266 C CYS A 21 -10.618 3.810 7.067 1.00 0.00 C ATOM 267 O CYS A 21 -9.652 4.407 6.592 1.00 0.00 O ATOM 268 CB CYS A 21 -11.323 1.420 7.291 1.00 0.00 C ATOM 269 SG CYS A 21 -9.747 0.995 8.101 1.00 0.00 S ATOM 0 H CYS A 21 -9.540 1.864 5.362 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.237 2.888 6.017 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.068 1.633 8.058 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.678 0.553 6.734 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.815 0.878 7.202 1.00 0.00 H new ATOM 274 N ASP A 22 -11.184 4.151 8.219 1.00 0.00 N ATOM 275 CA ASP A 22 -10.691 5.272 9.010 1.00 0.00 C ATOM 276 C ASP A 22 -10.020 4.781 10.289 1.00 0.00 C ATOM 277 O ASP A 22 -10.298 5.281 11.379 1.00 0.00 O ATOM 278 CB ASP A 22 -11.838 6.224 9.355 1.00 0.00 C ATOM 279 CG ASP A 22 -13.014 5.509 9.990 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.995 5.315 11.224 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.954 5.144 9.253 1.00 0.00 O ATOM 0 H ASP A 22 -11.985 3.667 8.626 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.951 5.807 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.475 6.994 10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.171 6.730 8.449 1.00 0.00 H new ATOM 286 N ARG A 23 -9.137 3.798 10.148 1.00 0.00 N ATOM 287 CA ARG A 23 -8.428 3.238 11.292 1.00 0.00 C ATOM 288 C ARG A 23 -7.054 3.884 11.450 1.00 0.00 C ATOM 289 O ARG A 23 -6.212 3.805 10.555 1.00 0.00 O ATOM 290 CB ARG A 23 -8.276 1.724 11.133 1.00 0.00 C ATOM 291 CG ARG A 23 -9.520 0.943 11.522 1.00 0.00 C ATOM 292 CD ARG A 23 -9.281 -0.557 11.450 1.00 0.00 C ATOM 293 NE ARG A 23 -10.351 -1.314 12.095 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.198 -2.546 12.567 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.026 -3.157 12.466 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.219 -3.169 13.142 1.00 0.00 N ATOM 0 H ARG A 23 -8.896 3.373 9.253 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.013 3.446 12.188 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.026 1.499 10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.439 1.385 11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.821 1.216 12.533 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.343 1.214 10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.200 -0.861 10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.330 -0.796 11.926 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.266 -0.872 12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.239 -2.681 12.025 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.911 -4.103 12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.122 -2.702 13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.101 -4.115 13.504 1.00 0.00 H new ATOM 310 N LEU A 24 -6.836 4.523 12.594 1.00 0.00 N ATOM 311 CA LEU A 24 -5.565 5.184 12.870 1.00 0.00 C ATOM 312 C LEU A 24 -4.526 4.182 13.365 1.00 0.00 C ATOM 313 O LEU A 24 -4.820 3.330 14.204 1.00 0.00 O ATOM 314 CB LEU A 24 -5.757 6.290 13.909 1.00 0.00 C ATOM 315 CG LEU A 24 -6.552 7.513 13.447 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.886 8.409 14.630 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.775 8.286 12.392 1.00 0.00 C ATOM 0 H LEU A 24 -7.522 4.598 13.345 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.205 5.625 11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.258 5.862 14.777 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.774 6.624 14.241 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.486 7.170 13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.451 9.274 14.283 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.482 7.851 15.352 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.964 8.745 15.104 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.355 9.152 12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.825 8.619 12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.587 7.641 11.533 1.00 0.00 H new ATOM 329 N PHE A 25 -3.310 4.290 12.840 1.00 0.00 N ATOM 330 CA PHE A 25 -2.227 3.395 13.229 1.00 0.00 C ATOM 331 C PHE A 25 -0.996 4.186 13.661 1.00 0.00 C ATOM 332 O PHE A 25 -0.934 5.402 13.487 1.00 0.00 O ATOM 333 CB PHE A 25 -1.867 2.462 12.071 1.00 0.00 C ATOM 334 CG PHE A 25 -2.977 1.523 11.691 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.982 1.930 10.829 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.014 0.233 12.195 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.004 1.069 10.479 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.033 -0.633 11.848 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.029 -0.215 10.988 1.00 0.00 C ATOM 0 H PHE A 25 -3.050 4.989 12.144 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.569 2.798 14.075 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.596 3.062 11.202 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.987 1.880 12.344 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.966 2.932 10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.237 -0.100 12.867 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.783 1.399 9.808 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.050 -1.636 12.249 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.826 -0.890 10.714 1.00 0.00 H new ATOM 349 N ALA A 26 -0.017 3.485 14.225 1.00 0.00 N ATOM 350 CA ALA A 26 1.213 4.120 14.681 1.00 0.00 C ATOM 351 C ALA A 26 2.236 4.208 13.553 1.00 0.00 C ATOM 352 O ALA A 26 2.864 5.247 13.351 1.00 0.00 O ATOM 353 CB ALA A 26 1.793 3.359 15.864 1.00 0.00 C ATOM 0 H ALA A 26 -0.052 2.477 14.377 1.00 0.00 H new ATOM 0 HA ALA A 26 0.973 5.135 14.999 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.711 3.845 16.194 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.072 3.353 16.681 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.012 2.334 15.565 1.00 0.00 H new ATOM 359 N SER A 27 2.398 3.110 12.821 1.00 0.00 N ATOM 360 CA SER A 27 3.348 3.062 11.716 1.00 0.00 C ATOM 361 C SER A 27 2.662 2.615 10.428 1.00 0.00 C ATOM 362 O SER A 27 1.573 2.043 10.459 1.00 0.00 O ATOM 363 CB SER A 27 4.502 2.114 12.048 1.00 0.00 C ATOM 364 OG SER A 27 5.182 2.530 13.219 1.00 0.00 O ATOM 0 H SER A 27 1.884 2.242 12.973 1.00 0.00 H new ATOM 0 HA SER A 27 3.744 4.066 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.118 1.103 12.186 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.200 2.078 11.211 1.00 0.00 H new ATOM 0 HG SER A 27 5.914 1.907 13.411 1.00 0.00 H new ATOM 370 N ALA A 28 3.308 2.881 9.298 1.00 0.00 N ATOM 371 CA ALA A 28 2.763 2.505 7.999 1.00 0.00 C ATOM 372 C ALA A 28 2.573 0.996 7.900 1.00 0.00 C ATOM 373 O ALA A 28 1.515 0.520 7.489 1.00 0.00 O ATOM 374 CB ALA A 28 3.670 3.000 6.882 1.00 0.00 C ATOM 0 H ALA A 28 4.210 3.356 9.255 1.00 0.00 H new ATOM 0 HA ALA A 28 1.786 2.976 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.250 2.712 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.750 4.086 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.660 2.557 6.994 1.00 0.00 H new ATOM 380 N GLU A 29 3.605 0.248 8.278 1.00 0.00 N ATOM 381 CA GLU A 29 3.551 -1.208 8.229 1.00 0.00 C ATOM 382 C GLU A 29 2.297 -1.730 8.924 1.00 0.00 C ATOM 383 O GLU A 29 1.589 -2.584 8.391 1.00 0.00 O ATOM 384 CB GLU A 29 4.797 -1.809 8.883 1.00 0.00 C ATOM 385 CG GLU A 29 6.043 -1.716 8.019 1.00 0.00 C ATOM 386 CD GLU A 29 7.300 -2.126 8.762 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.223 -3.054 9.593 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.362 -1.517 8.511 1.00 0.00 O ATOM 0 H GLU A 29 4.488 0.626 8.621 1.00 0.00 H new ATOM 0 HA GLU A 29 3.517 -1.509 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.982 -1.300 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.605 -2.856 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.921 -2.351 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.155 -0.693 7.659 1.00 0.00 H new ATOM 395 N GLU A 30 2.029 -1.209 10.118 1.00 0.00 N ATOM 396 CA GLU A 30 0.861 -1.623 10.886 1.00 0.00 C ATOM 397 C GLU A 30 -0.394 -1.615 10.017 1.00 0.00 C ATOM 398 O GLU A 30 -1.139 -2.594 9.972 1.00 0.00 O ATOM 399 CB GLU A 30 0.665 -0.704 12.093 1.00 0.00 C ATOM 400 CG GLU A 30 1.383 -1.180 13.344 1.00 0.00 C ATOM 401 CD GLU A 30 0.710 -0.708 14.619 1.00 0.00 C ATOM 402 OE1 GLU A 30 0.112 0.388 14.602 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.782 -1.434 15.632 1.00 0.00 O ATOM 0 H GLU A 30 2.604 -0.500 10.573 1.00 0.00 H new ATOM 0 HA GLU A 30 1.032 -2.641 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.019 0.295 11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.401 -0.620 12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.425 -2.269 13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.412 -0.821 13.327 1.00 0.00 H new ATOM 410 N THR A 31 -0.621 -0.501 9.327 1.00 0.00 N ATOM 411 CA THR A 31 -1.785 -0.363 8.461 1.00 0.00 C ATOM 412 C THR A 31 -1.788 -1.427 7.370 1.00 0.00 C ATOM 413 O THR A 31 -2.665 -2.290 7.333 1.00 0.00 O ATOM 414 CB THR A 31 -1.833 1.030 7.804 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.505 2.038 8.766 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.212 1.306 7.223 1.00 0.00 C ATOM 0 H THR A 31 -0.014 0.318 9.351 1.00 0.00 H new ATOM 0 HA THR A 31 -2.665 -0.491 9.091 1.00 0.00 H new ATOM 0 HB THR A 31 -1.103 1.051 6.995 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.194 2.062 9.463 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.222 2.295 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.447 0.554 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.956 1.267 8.018 1.00 0.00 H new ATOM 424 N PHE A 32 -0.800 -1.362 6.483 1.00 0.00 N ATOM 425 CA PHE A 32 -0.690 -2.321 5.391 1.00 0.00 C ATOM 426 C PHE A 32 -1.116 -3.714 5.844 1.00 0.00 C ATOM 427 O PHE A 32 -2.037 -4.307 5.282 1.00 0.00 O ATOM 428 CB PHE A 32 0.746 -2.362 4.863 1.00 0.00 C ATOM 429 CG PHE A 32 1.146 -1.121 4.118 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.299 -0.558 3.178 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.370 -0.516 4.359 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.665 0.584 2.490 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.741 0.626 3.675 1.00 0.00 C ATOM 434 CZ PHE A 32 1.887 1.177 2.740 1.00 0.00 C ATOM 0 H PHE A 32 -0.065 -0.655 6.500 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.356 -1.999 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.428 -2.510 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.858 -3.223 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.659 -1.016 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.041 -0.942 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.004 1.012 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.698 1.087 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.174 2.070 2.205 1.00 0.00 H new ATOM 444 N SER A 33 -0.439 -4.231 6.865 1.00 0.00 N ATOM 445 CA SER A 33 -0.744 -5.556 7.392 1.00 0.00 C ATOM 446 C SER A 33 -2.238 -5.701 7.666 1.00 0.00 C ATOM 447 O SER A 33 -2.843 -6.725 7.348 1.00 0.00 O ATOM 448 CB SER A 33 0.049 -5.812 8.675 1.00 0.00 C ATOM 449 OG SER A 33 0.110 -7.197 8.969 1.00 0.00 O ATOM 0 H SER A 33 0.324 -3.752 7.343 1.00 0.00 H new ATOM 0 HA SER A 33 -0.457 -6.293 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.058 -5.415 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.416 -5.281 9.506 1.00 0.00 H new ATOM 0 HG SER A 33 0.623 -7.334 9.792 1.00 0.00 H new ATOM 455 N HIS A 34 -2.827 -4.668 8.260 1.00 0.00 N ATOM 456 CA HIS A 34 -4.251 -4.678 8.577 1.00 0.00 C ATOM 457 C HIS A 34 -5.090 -4.787 7.308 1.00 0.00 C ATOM 458 O HIS A 34 -6.068 -5.534 7.260 1.00 0.00 O ATOM 459 CB HIS A 34 -4.632 -3.414 9.348 1.00 0.00 C ATOM 460 CG HIS A 34 -6.018 -2.927 9.051 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.153 -3.607 9.437 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.447 -1.819 8.404 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.221 -2.940 9.038 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.819 -1.850 8.409 1.00 0.00 N ATOM 0 H HIS A 34 -2.341 -3.814 8.532 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.453 -5.549 9.200 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.546 -3.610 10.417 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.919 -2.624 9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.825 -1.053 7.965 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.247 -3.235 9.199 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.429 -1.146 7.994 1.00 0.00 H new ATOM 472 N CYS A 35 -4.702 -4.037 6.282 1.00 0.00 N ATOM 473 CA CYS A 35 -5.419 -4.049 5.012 1.00 0.00 C ATOM 474 C CYS A 35 -5.198 -5.365 4.274 1.00 0.00 C ATOM 475 O CYS A 35 -6.053 -5.813 3.511 1.00 0.00 O ATOM 476 CB CYS A 35 -4.969 -2.878 4.138 1.00 0.00 C ATOM 477 SG CYS A 35 -4.980 -1.279 4.982 1.00 0.00 S ATOM 0 H CYS A 35 -3.895 -3.413 6.305 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.483 -3.947 5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.961 -3.077 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.618 -2.820 3.265 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.091 -0.657 4.718 1.00 0.00 H new ATOM 483 N LYS A 36 -4.043 -5.980 4.505 1.00 0.00 N ATOM 484 CA LYS A 36 -3.707 -7.245 3.863 1.00 0.00 C ATOM 485 C LYS A 36 -4.487 -8.396 4.488 1.00 0.00 C ATOM 486 O LYS A 36 -4.667 -9.446 3.869 1.00 0.00 O ATOM 487 CB LYS A 36 -2.204 -7.513 3.973 1.00 0.00 C ATOM 488 CG LYS A 36 -1.350 -6.514 3.212 1.00 0.00 C ATOM 489 CD LYS A 36 0.050 -6.418 3.796 1.00 0.00 C ATOM 490 CE LYS A 36 1.021 -5.781 2.815 1.00 0.00 C ATOM 491 NZ LYS A 36 2.415 -5.774 3.339 1.00 0.00 N ATOM 0 H LYS A 36 -3.323 -5.622 5.133 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.981 -7.174 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.917 -7.497 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.994 -8.516 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.289 -6.810 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.825 -5.533 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.023 -5.832 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.403 -7.414 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.991 -6.324 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.707 -4.759 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.046 -5.332 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.449 -5.235 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.725 -6.751 3.515 1.00 0.00 H new ATOM 505 N LEU A 37 -4.950 -8.193 5.716 1.00 0.00 N ATOM 506 CA LEU A 37 -5.713 -9.215 6.425 1.00 0.00 C ATOM 507 C LEU A 37 -7.212 -9.005 6.234 1.00 0.00 C ATOM 508 O LEU A 37 -7.946 -9.944 5.927 1.00 0.00 O ATOM 509 CB LEU A 37 -5.369 -9.195 7.915 1.00 0.00 C ATOM 510 CG LEU A 37 -3.891 -9.369 8.265 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.574 -8.696 9.591 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.526 -10.846 8.314 1.00 0.00 C ATOM 0 H LEU A 37 -4.811 -7.330 6.242 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.445 -10.187 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.712 -8.249 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.934 -9.986 8.409 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.294 -8.893 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.518 -8.830 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.798 -7.631 9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.179 -9.143 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.470 -10.952 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.130 -11.345 9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.715 -11.300 7.341 1.00 0.00 H new ATOM 524 N GLU A 38 -7.659 -7.766 6.416 1.00 0.00 N ATOM 525 CA GLU A 38 -9.070 -7.433 6.263 1.00 0.00 C ATOM 526 C GLU A 38 -9.403 -7.133 4.804 1.00 0.00 C ATOM 527 O GLU A 38 -10.136 -7.881 4.156 1.00 0.00 O ATOM 528 CB GLU A 38 -9.432 -6.231 7.137 1.00 0.00 C ATOM 529 CG GLU A 38 -9.123 -6.435 8.611 1.00 0.00 C ATOM 530 CD GLU A 38 -10.220 -7.188 9.338 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.252 -6.565 9.664 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.046 -8.401 9.581 1.00 0.00 O ATOM 0 H GLU A 38 -7.064 -6.977 6.669 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.656 -8.295 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.890 -5.356 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.495 -6.017 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.185 -6.982 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.977 -5.465 9.086 1.00 0.00 H new ATOM 539 N HIS A 39 -8.859 -6.033 4.293 1.00 0.00 N ATOM 540 CA HIS A 39 -9.097 -5.634 2.911 1.00 0.00 C ATOM 541 C HIS A 39 -8.347 -6.545 1.944 1.00 0.00 C ATOM 542 O HIS A 39 -8.392 -6.349 0.730 1.00 0.00 O ATOM 543 CB HIS A 39 -8.670 -4.181 2.697 1.00 0.00 C ATOM 544 CG HIS A 39 -9.295 -3.224 3.664 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.612 -3.310 4.063 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.775 -2.157 4.314 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.876 -2.336 4.916 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.778 -1.622 5.086 1.00 0.00 N ATOM 0 H HIS A 39 -8.251 -5.403 4.815 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.165 -5.725 2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.585 -4.114 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.930 -3.880 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.761 -1.794 4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.828 -2.155 5.393 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.689 -0.806 5.692 1.00 0.00 H new ATOM 556 N GLN A 40 -7.657 -7.540 2.492 1.00 0.00 N ATOM 557 CA GLN A 40 -6.895 -8.480 1.678 1.00 0.00 C ATOM 558 C GLN A 40 -6.192 -7.761 0.531 1.00 0.00 C ATOM 559 O GLN A 40 -6.048 -8.309 -0.563 1.00 0.00 O ATOM 560 CB GLN A 40 -7.815 -9.570 1.125 1.00 0.00 C ATOM 561 CG GLN A 40 -8.958 -9.031 0.280 1.00 0.00 C ATOM 562 CD GLN A 40 -9.917 -10.117 -0.166 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.984 -10.456 -1.347 1.00 0.00 O ATOM 564 NE2 GLN A 40 -10.667 -10.669 0.781 1.00 0.00 N ATOM 0 H GLN A 40 -7.610 -7.716 3.496 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.138 -8.941 2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.225 -10.262 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.227 -10.142 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.505 -8.281 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.551 -8.529 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.579 -10.357 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.331 -11.405 0.541 1.00 0.00 H new ATOM 573 N PHE A 41 -5.758 -6.532 0.787 1.00 0.00 N ATOM 574 CA PHE A 41 -5.071 -5.738 -0.224 1.00 0.00 C ATOM 575 C PHE A 41 -3.621 -5.483 0.176 1.00 0.00 C ATOM 576 O PHE A 41 -3.345 -4.995 1.271 1.00 0.00 O ATOM 577 CB PHE A 41 -5.794 -4.406 -0.436 1.00 0.00 C ATOM 578 CG PHE A 41 -4.908 -3.321 -0.976 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.143 -2.543 -0.122 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.839 -3.079 -2.339 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.326 -1.544 -0.616 1.00 0.00 C ATOM 582 CE2 PHE A 41 -4.023 -2.082 -2.839 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.267 -1.312 -1.976 1.00 0.00 C ATOM 0 H PHE A 41 -5.870 -6.064 1.686 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.079 -6.301 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.627 -4.559 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.219 -4.078 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.186 -2.719 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.430 -3.676 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.734 -0.945 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.976 -1.905 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.631 -0.530 -2.364 1.00 0.00 H new ATOM 593 N ASN A 42 -2.698 -5.819 -0.720 1.00 0.00 N ATOM 594 CA ASN A 42 -1.275 -5.628 -0.460 1.00 0.00 C ATOM 595 C ASN A 42 -0.746 -4.406 -1.204 1.00 0.00 C ATOM 596 O ASN A 42 -1.033 -4.213 -2.386 1.00 0.00 O ATOM 597 CB ASN A 42 -0.488 -6.872 -0.876 1.00 0.00 C ATOM 598 CG ASN A 42 -0.575 -7.982 0.154 1.00 0.00 C ATOM 599 OD1 ASN A 42 -1.666 -8.395 0.548 1.00 0.00 O ATOM 600 ND2 ASN A 42 0.579 -8.470 0.596 1.00 0.00 N ATOM 0 H ASN A 42 -2.910 -6.225 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.145 -5.465 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.867 -7.236 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.557 -6.603 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.584 -9.217 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.460 -8.097 0.241 1.00 0.00 H new ATOM 607 N ILE A 43 0.029 -3.584 -0.504 1.00 0.00 N ATOM 608 CA ILE A 43 0.600 -2.382 -1.098 1.00 0.00 C ATOM 609 C ILE A 43 1.852 -2.708 -1.904 1.00 0.00 C ATOM 610 O ILE A 43 2.040 -2.204 -3.012 1.00 0.00 O ATOM 611 CB ILE A 43 0.953 -1.335 -0.024 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.426 -0.037 -0.681 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.019 -1.879 0.915 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.327 0.710 -1.404 1.00 0.00 C ATOM 0 H ILE A 43 0.276 -3.729 0.475 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.159 -1.968 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 43 0.058 -1.119 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.854 0.612 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.224 -0.267 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.258 -1.128 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.647 -2.779 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.917 -2.120 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.735 1.620 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.086 0.078 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.461 0.971 -0.698 1.00 0.00 H new ATOM 626 N ASP A 44 2.706 -3.557 -1.342 1.00 0.00 N ATOM 627 CA ASP A 44 3.940 -3.954 -2.010 1.00 0.00 C ATOM 628 C ASP A 44 3.670 -4.359 -3.456 1.00 0.00 C ATOM 629 O ASP A 44 4.329 -3.879 -4.378 1.00 0.00 O ATOM 630 CB ASP A 44 4.602 -5.111 -1.259 1.00 0.00 C ATOM 631 CG ASP A 44 5.615 -5.850 -2.110 1.00 0.00 C ATOM 632 OD1 ASP A 44 6.714 -5.300 -2.335 1.00 0.00 O ATOM 633 OD2 ASP A 44 5.309 -6.977 -2.553 1.00 0.00 O ATOM 0 H ASP A 44 2.566 -3.983 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 44 4.615 -3.098 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.094 -4.726 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.835 -5.809 -0.924 1.00 0.00 H new ATOM 638 N SER A 45 2.697 -5.245 -3.645 1.00 0.00 N ATOM 639 CA SER A 45 2.343 -5.717 -4.979 1.00 0.00 C ATOM 640 C SER A 45 2.086 -4.545 -5.920 1.00 0.00 C ATOM 641 O SER A 45 2.726 -4.422 -6.964 1.00 0.00 O ATOM 642 CB SER A 45 1.106 -6.614 -4.912 1.00 0.00 C ATOM 643 OG SER A 45 1.363 -7.783 -4.154 1.00 0.00 O ATOM 0 H SER A 45 2.140 -5.650 -2.892 1.00 0.00 H new ATOM 0 HA SER A 45 3.182 -6.294 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.277 -6.063 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.799 -6.891 -5.921 1.00 0.00 H new ATOM 0 HG SER A 45 0.556 -8.338 -4.125 1.00 0.00 H new ATOM 649 N MET A 46 1.145 -3.686 -5.543 1.00 0.00 N ATOM 650 CA MET A 46 0.803 -2.523 -6.352 1.00 0.00 C ATOM 651 C MET A 46 2.060 -1.783 -6.799 1.00 0.00 C ATOM 652 O MET A 46 2.187 -1.399 -7.962 1.00 0.00 O ATOM 653 CB MET A 46 -0.108 -1.577 -5.567 1.00 0.00 C ATOM 654 CG MET A 46 -1.422 -2.212 -5.144 1.00 0.00 C ATOM 655 SD MET A 46 -2.519 -2.533 -6.538 1.00 0.00 S ATOM 656 CE MET A 46 -2.698 -0.884 -7.215 1.00 0.00 C ATOM 0 H MET A 46 0.606 -3.774 -4.682 1.00 0.00 H new ATOM 0 HA MET A 46 0.273 -2.872 -7.238 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.421 -1.230 -4.679 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.318 -0.698 -6.177 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.218 -3.148 -4.624 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.926 -1.556 -4.434 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.630 -0.821 -7.777 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.714 -0.157 -6.403 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.859 -0.670 -7.877 1.00 0.00 H new ATOM 666 N VAL A 47 2.987 -1.585 -5.867 1.00 0.00 N ATOM 667 CA VAL A 47 4.235 -0.892 -6.164 1.00 0.00 C ATOM 668 C VAL A 47 4.945 -1.526 -7.355 1.00 0.00 C ATOM 669 O VAL A 47 5.417 -0.829 -8.254 1.00 0.00 O ATOM 670 CB VAL A 47 5.184 -0.898 -4.951 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.536 -0.311 -5.328 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.567 -0.134 -3.789 1.00 0.00 C ATOM 0 H VAL A 47 2.897 -1.895 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 47 3.975 0.138 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 47 5.338 -1.930 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.193 -0.323 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.980 -0.904 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.405 0.716 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.251 -0.148 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.382 0.898 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.625 -0.603 -3.504 1.00 0.00 H new ATOM 682 N HIS A 48 5.019 -2.853 -7.355 1.00 0.00 N ATOM 683 CA HIS A 48 5.671 -3.583 -8.437 1.00 0.00 C ATOM 684 C HIS A 48 4.819 -3.555 -9.702 1.00 0.00 C ATOM 685 O HIS A 48 5.327 -3.329 -10.801 1.00 0.00 O ATOM 686 CB HIS A 48 5.936 -5.029 -8.017 1.00 0.00 C ATOM 687 CG HIS A 48 7.054 -5.172 -7.032 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.379 -5.259 -7.405 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.040 -5.241 -5.680 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.131 -5.377 -6.325 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.343 -5.369 -5.265 1.00 0.00 N ATOM 0 H HIS A 48 4.636 -3.445 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 48 6.622 -3.095 -8.651 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.026 -5.445 -7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.166 -5.620 -8.904 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.167 -5.203 -5.046 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.207 -5.465 -6.311 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.652 -5.445 -4.296 1.00 0.00 H new ATOM 699 N LYS A 49 3.521 -3.787 -9.541 1.00 0.00 N ATOM 700 CA LYS A 49 2.597 -3.788 -10.669 1.00 0.00 C ATOM 701 C LYS A 49 2.797 -2.550 -11.537 1.00 0.00 C ATOM 702 O LYS A 49 3.201 -2.650 -12.696 1.00 0.00 O ATOM 703 CB LYS A 49 1.152 -3.848 -10.171 1.00 0.00 C ATOM 704 CG LYS A 49 0.190 -4.469 -11.169 1.00 0.00 C ATOM 705 CD LYS A 49 -0.316 -3.442 -12.169 1.00 0.00 C ATOM 706 CE LYS A 49 -1.601 -3.904 -12.840 1.00 0.00 C ATOM 707 NZ LYS A 49 -1.356 -5.015 -13.801 1.00 0.00 N ATOM 0 H LYS A 49 3.084 -3.977 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 49 2.802 -4.671 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.120 -4.420 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.816 -2.838 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.688 -5.280 -11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.655 -4.907 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.490 -2.493 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.447 -3.263 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.310 -4.231 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.059 -3.065 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.256 -5.301 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.699 -4.695 -14.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.942 -5.825 -13.297 1.00 0.00 H new ATOM 721 N HIS A 50 2.512 -1.383 -10.969 1.00 0.00 N ATOM 722 CA HIS A 50 2.662 -0.124 -11.691 1.00 0.00 C ATOM 723 C HIS A 50 4.046 0.475 -11.456 1.00 0.00 C ATOM 724 O HIS A 50 4.257 1.670 -11.655 1.00 0.00 O ATOM 725 CB HIS A 50 1.583 0.869 -11.257 1.00 0.00 C ATOM 726 CG HIS A 50 0.189 0.347 -11.419 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.516 0.436 -12.600 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.631 -0.274 -10.539 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.710 -0.107 -12.440 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.805 -0.546 -11.198 1.00 0.00 N ATOM 0 H HIS A 50 2.176 -1.282 -10.011 1.00 0.00 H new ATOM 0 HA HIS A 50 2.550 -0.328 -12.756 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.744 1.134 -10.212 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.689 1.785 -11.838 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.404 -0.511 -9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.478 -0.179 -13.196 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.618 -1.011 -10.794 1.00 0.00 H new ATOM 738 N GLY A 51 4.985 -0.365 -11.031 1.00 0.00 N ATOM 739 CA GLY A 51 6.335 0.100 -10.776 1.00 0.00 C ATOM 740 C GLY A 51 6.364 1.476 -10.140 1.00 0.00 C ATOM 741 O GLY A 51 7.046 2.379 -10.627 1.00 0.00 O ATOM 0 H GLY A 51 4.834 -1.359 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.843 -0.610 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.891 0.125 -11.713 1.00 0.00 H new ATOM 745 N LEU A 52 5.622 1.638 -9.050 1.00 0.00 N ATOM 746 CA LEU A 52 5.563 2.914 -8.347 1.00 0.00 C ATOM 747 C LEU A 52 6.929 3.286 -7.779 1.00 0.00 C ATOM 748 O LEU A 52 7.456 2.599 -6.905 1.00 0.00 O ATOM 749 CB LEU A 52 4.530 2.852 -7.221 1.00 0.00 C ATOM 750 CG LEU A 52 3.118 2.431 -7.628 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.328 1.967 -6.414 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.401 3.576 -8.328 1.00 0.00 C ATOM 0 H LEU A 52 5.053 0.901 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 52 5.266 3.681 -9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.890 2.157 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.474 3.834 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 52 3.195 1.597 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.326 1.671 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.832 1.116 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.260 2.781 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.397 3.258 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.335 4.430 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.956 3.861 -9.222 1.00 0.00 H new ATOM 764 N GLU A 53 7.496 4.379 -8.281 1.00 0.00 N ATOM 765 CA GLU A 53 8.800 4.842 -7.822 1.00 0.00 C ATOM 766 C GLU A 53 8.667 5.661 -6.541 1.00 0.00 C ATOM 767 O GLU A 53 7.572 5.812 -5.999 1.00 0.00 O ATOM 768 CB GLU A 53 9.479 5.680 -8.907 1.00 0.00 C ATOM 769 CG GLU A 53 9.657 4.943 -10.224 1.00 0.00 C ATOM 770 CD GLU A 53 10.736 5.557 -11.095 1.00 0.00 C ATOM 771 OE1 GLU A 53 10.610 6.751 -11.440 1.00 0.00 O ATOM 772 OE2 GLU A 53 11.704 4.845 -11.433 1.00 0.00 O ATOM 0 H GLU A 53 7.073 4.960 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 53 9.414 3.966 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.889 6.580 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.456 6.003 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.907 3.901 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.712 4.944 -10.767 1.00 0.00 H new ATOM 779 N PHE A 54 9.789 6.186 -6.062 1.00 0.00 N ATOM 780 CA PHE A 54 9.799 6.988 -4.844 1.00 0.00 C ATOM 781 C PHE A 54 8.534 7.835 -4.740 1.00 0.00 C ATOM 782 O PHE A 54 7.794 7.746 -3.761 1.00 0.00 O ATOM 783 CB PHE A 54 11.035 7.890 -4.812 1.00 0.00 C ATOM 784 CG PHE A 54 10.998 8.919 -3.718 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.244 8.559 -2.403 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.717 10.245 -4.005 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.211 9.503 -1.394 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.683 11.193 -3.000 1.00 0.00 C ATOM 789 CZ PHE A 54 10.929 10.822 -1.693 1.00 0.00 C ATOM 0 H PHE A 54 10.704 6.071 -6.498 1.00 0.00 H new ATOM 0 HA PHE A 54 9.831 6.309 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.924 7.271 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.131 8.396 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.464 7.529 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.522 10.541 -5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.405 9.210 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.464 12.224 -3.237 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.901 11.561 -0.906 1.00 0.00 H new ATOM 799 N TYR A 55 8.295 8.656 -5.756 1.00 0.00 N ATOM 800 CA TYR A 55 7.121 9.522 -5.779 1.00 0.00 C ATOM 801 C TYR A 55 5.886 8.753 -6.237 1.00 0.00 C ATOM 802 O TYR A 55 4.799 8.914 -5.683 1.00 0.00 O ATOM 803 CB TYR A 55 7.362 10.719 -6.700 1.00 0.00 C ATOM 804 CG TYR A 55 7.992 11.903 -6.003 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.262 12.676 -5.108 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.317 12.249 -6.239 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.834 13.759 -4.469 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.897 13.330 -5.603 1.00 0.00 C ATOM 809 CZ TYR A 55 9.151 14.082 -4.720 1.00 0.00 C ATOM 810 OH TYR A 55 9.724 15.160 -4.084 1.00 0.00 O ATOM 0 H TYR A 55 8.898 8.741 -6.574 1.00 0.00 H new ATOM 0 HA TYR A 55 6.947 9.882 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.005 10.409 -7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.412 11.028 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.230 12.426 -4.909 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.903 11.663 -6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.253 14.350 -3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.929 13.584 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 55 10.657 15.251 -4.370 1.00 0.00 H new ATOM 820 N GLY A 56 6.062 7.915 -7.255 1.00 0.00 N ATOM 821 CA GLY A 56 4.954 7.133 -7.771 1.00 0.00 C ATOM 822 C GLY A 56 4.137 6.487 -6.670 1.00 0.00 C ATOM 823 O GLY A 56 2.911 6.606 -6.645 1.00 0.00 O ATOM 0 H GLY A 56 6.952 7.764 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.308 7.775 -8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.338 6.359 -8.436 1.00 0.00 H new ATOM 827 N TYR A 57 4.815 5.801 -5.757 1.00 0.00 N ATOM 828 CA TYR A 57 4.144 5.130 -4.650 1.00 0.00 C ATOM 829 C TYR A 57 3.316 6.119 -3.835 1.00 0.00 C ATOM 830 O TYR A 57 2.207 5.807 -3.401 1.00 0.00 O ATOM 831 CB TYR A 57 5.168 4.440 -3.748 1.00 0.00 C ATOM 832 CG TYR A 57 4.721 4.317 -2.309 1.00 0.00 C ATOM 833 CD1 TYR A 57 4.947 5.343 -1.400 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.072 3.174 -1.858 1.00 0.00 C ATOM 835 CE1 TYR A 57 4.541 5.234 -0.084 1.00 0.00 C ATOM 836 CE2 TYR A 57 3.661 3.057 -0.544 1.00 0.00 C ATOM 837 CZ TYR A 57 3.898 4.089 0.339 1.00 0.00 C ATOM 838 OH TYR A 57 3.491 3.977 1.649 1.00 0.00 O ATOM 0 H TYR A 57 5.829 5.695 -5.762 1.00 0.00 H new ATOM 0 HA TYR A 57 3.473 4.379 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.375 3.445 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.104 4.997 -3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.449 6.241 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.886 2.363 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.726 6.041 0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.157 2.162 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 57 4.123 4.450 2.230 1.00 0.00 H new ATOM 848 N ILE A 58 3.863 7.313 -3.633 1.00 0.00 N ATOM 849 CA ILE A 58 3.176 8.349 -2.872 1.00 0.00 C ATOM 850 C ILE A 58 1.827 8.687 -3.498 1.00 0.00 C ATOM 851 O ILE A 58 0.838 8.893 -2.795 1.00 0.00 O ATOM 852 CB ILE A 58 4.021 9.633 -2.778 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.335 9.352 -2.045 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.240 10.731 -2.073 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.079 10.604 -1.637 1.00 0.00 C ATOM 0 H ILE A 58 4.780 7.587 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 58 3.020 7.952 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 58 4.254 9.971 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.126 8.758 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.978 8.750 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.851 11.632 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.329 10.946 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.979 10.403 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.000 10.329 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.320 11.190 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.454 11.197 -0.969 1.00 0.00 H new ATOM 867 N LYS A 59 1.793 8.740 -4.825 1.00 0.00 N ATOM 868 CA LYS A 59 0.566 9.049 -5.548 1.00 0.00 C ATOM 869 C LYS A 59 -0.490 7.974 -5.313 1.00 0.00 C ATOM 870 O LYS A 59 -1.678 8.272 -5.189 1.00 0.00 O ATOM 871 CB LYS A 59 0.851 9.181 -7.046 1.00 0.00 C ATOM 872 CG LYS A 59 1.827 10.294 -7.384 1.00 0.00 C ATOM 873 CD LYS A 59 1.867 10.566 -8.878 1.00 0.00 C ATOM 874 CE LYS A 59 3.042 11.457 -9.252 1.00 0.00 C ATOM 875 NZ LYS A 59 2.940 11.953 -10.652 1.00 0.00 N ATOM 0 H LYS A 59 2.603 8.573 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 59 0.182 9.998 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.248 8.236 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.087 9.360 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.541 11.203 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.824 10.023 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.938 9.622 -9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.936 11.041 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.086 12.305 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.972 10.901 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.759 12.556 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.924 11.145 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.066 12.505 -10.762 1.00 0.00 H new ATOM 889 N LEU A 60 -0.049 6.722 -5.252 1.00 0.00 N ATOM 890 CA LEU A 60 -0.956 5.601 -5.030 1.00 0.00 C ATOM 891 C LEU A 60 -1.665 5.732 -3.685 1.00 0.00 C ATOM 892 O LEU A 60 -2.877 5.541 -3.591 1.00 0.00 O ATOM 893 CB LEU A 60 -0.189 4.279 -5.088 1.00 0.00 C ATOM 894 CG LEU A 60 -0.994 3.021 -4.762 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.285 2.945 -3.271 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.288 2.993 -5.562 1.00 0.00 C ATOM 0 H LEU A 60 0.931 6.458 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.708 5.613 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.230 4.169 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.651 4.338 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.400 2.151 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.859 2.043 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.346 2.917 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.859 3.820 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.848 2.090 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.887 3.870 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.057 2.999 -6.627 1.00 0.00 H new ATOM 908 N ILE A 61 -0.901 6.062 -2.649 1.00 0.00 N ATOM 909 CA ILE A 61 -1.456 6.222 -1.311 1.00 0.00 C ATOM 910 C ILE A 61 -2.498 7.334 -1.278 1.00 0.00 C ATOM 911 O ILE A 61 -3.680 7.085 -1.044 1.00 0.00 O ATOM 912 CB ILE A 61 -0.357 6.532 -0.279 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.602 5.347 -0.150 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.976 6.869 1.070 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.090 4.044 0.183 1.00 0.00 C ATOM 0 H ILE A 61 0.104 6.224 -2.711 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.930 5.276 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 61 0.209 7.397 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.150 5.230 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.337 5.567 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.186 7.086 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.622 7.741 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.564 6.022 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.651 3.248 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.615 4.143 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.805 3.801 -0.603 1.00 0.00 H new ATOM 927 N ASN A 62 -2.052 8.563 -1.517 1.00 0.00 N ATOM 928 CA ASN A 62 -2.946 9.715 -1.515 1.00 0.00 C ATOM 929 C ASN A 62 -4.176 9.449 -2.377 1.00 0.00 C ATOM 930 O ASN A 62 -5.300 9.771 -1.990 1.00 0.00 O ATOM 931 CB ASN A 62 -2.212 10.958 -2.024 1.00 0.00 C ATOM 932 CG ASN A 62 -1.402 11.636 -0.937 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.817 11.689 0.221 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.239 12.161 -1.305 1.00 0.00 N ATOM 0 H ASN A 62 -1.077 8.787 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.272 9.889 -0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.551 10.676 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.937 11.665 -2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.349 12.631 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.066 12.094 -2.276 1.00 0.00 H new ATOM 941 N PHE A 63 -3.956 8.859 -3.547 1.00 0.00 N ATOM 942 CA PHE A 63 -5.047 8.550 -4.465 1.00 0.00 C ATOM 943 C PHE A 63 -6.218 7.913 -3.723 1.00 0.00 C ATOM 944 O PHE A 63 -7.356 8.371 -3.828 1.00 0.00 O ATOM 945 CB PHE A 63 -4.560 7.613 -5.572 1.00 0.00 C ATOM 946 CG PHE A 63 -5.671 7.041 -6.405 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.473 7.867 -7.175 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.914 5.677 -6.417 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.497 7.344 -7.943 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.935 5.148 -7.183 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.728 5.982 -7.946 1.00 0.00 C ATOM 0 H PHE A 63 -3.032 8.585 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.388 9.484 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.873 8.156 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.995 6.796 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.296 8.932 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.298 5.020 -5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.115 7.999 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.113 4.083 -7.185 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.527 5.570 -8.544 1.00 0.00 H new ATOM 961 N ILE A 64 -5.930 6.855 -2.973 1.00 0.00 N ATOM 962 CA ILE A 64 -6.958 6.155 -2.213 1.00 0.00 C ATOM 963 C ILE A 64 -7.520 7.039 -1.105 1.00 0.00 C ATOM 964 O ILE A 64 -8.590 6.766 -0.561 1.00 0.00 O ATOM 965 CB ILE A 64 -6.413 4.856 -1.591 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.653 4.043 -2.640 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.548 4.036 -0.997 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.067 2.757 -2.100 1.00 0.00 C ATOM 0 H ILE A 64 -4.993 6.464 -2.875 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.754 5.906 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.722 5.116 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.327 3.808 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.850 4.655 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.147 3.121 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.050 4.617 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.262 3.782 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.543 2.233 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.368 2.985 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.868 2.125 -1.716 1.00 0.00 H new ATOM 980 N ARG A 65 -6.792 8.102 -0.776 1.00 0.00 N ATOM 981 CA ARG A 65 -7.218 9.027 0.267 1.00 0.00 C ATOM 982 C ARG A 65 -8.203 10.053 -0.286 1.00 0.00 C ATOM 983 O ARG A 65 -9.142 10.459 0.400 1.00 0.00 O ATOM 984 CB ARG A 65 -6.007 9.741 0.870 1.00 0.00 C ATOM 985 CG ARG A 65 -4.931 8.794 1.377 1.00 0.00 C ATOM 986 CD ARG A 65 -5.329 8.156 2.699 1.00 0.00 C ATOM 987 NE ARG A 65 -4.168 7.851 3.531 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.255 7.373 4.767 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.443 7.147 5.312 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.153 7.121 5.461 1.00 0.00 N ATOM 0 H ARG A 65 -5.905 8.343 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.718 8.452 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.574 10.401 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.341 10.372 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.751 8.016 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.995 9.338 1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.996 8.828 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.887 7.240 2.506 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.240 8.014 3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.293 7.340 4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.507 6.780 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.238 7.294 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.221 6.754 6.410 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.983 10.467 -1.528 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.852 11.446 -2.173 1.00 0.00 C ATOM 1006 C LEU A 66 -10.097 10.775 -2.745 1.00 0.00 C ATOM 1007 O LEU A 66 -11.222 11.125 -2.389 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.094 12.174 -3.285 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.653 13.537 -3.696 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.530 14.465 -4.133 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.679 13.379 -4.809 1.00 0.00 C ATOM 0 H LEU A 66 -7.211 10.141 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.165 12.170 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.061 12.309 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.074 11.531 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.148 13.980 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.947 15.430 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.831 14.604 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.006 14.027 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.066 14.359 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.208 12.914 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.499 12.751 -4.461 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.887 9.809 -3.633 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.992 9.086 -4.253 1.00 0.00 C ATOM 1025 C LYS A 67 -11.736 8.243 -3.223 1.00 0.00 C ATOM 1026 O LYS A 67 -12.957 8.332 -3.099 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.474 8.192 -5.381 1.00 0.00 C ATOM 1028 CG LYS A 67 -10.195 8.942 -6.672 1.00 0.00 C ATOM 1029 CD LYS A 67 -9.298 10.146 -6.436 1.00 0.00 C ATOM 1030 CE LYS A 67 -9.032 10.906 -7.726 1.00 0.00 C ATOM 1031 NZ LYS A 67 -10.238 11.644 -8.193 1.00 0.00 N ATOM 0 H LYS A 67 -8.962 9.508 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.686 9.818 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.559 7.699 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.205 7.408 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.723 8.270 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.136 9.269 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.765 10.812 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.352 9.817 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.213 11.609 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.711 10.208 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.998 12.203 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.990 10.966 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.570 12.279 -7.439 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.992 7.426 -2.484 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.582 6.568 -1.464 1.00 0.00 C ATOM 1047 C ASN A 68 -12.316 5.391 -2.100 1.00 0.00 C ATOM 1048 O ASN A 68 -13.429 5.038 -1.711 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.545 7.370 -0.587 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.820 6.692 0.741 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -13.720 5.859 0.851 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -12.043 7.047 1.758 1.00 0.00 N ATOM 0 H ASN A 68 -9.979 7.341 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.775 6.178 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.128 8.361 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.485 7.512 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.180 6.625 2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.309 7.742 1.621 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.679 4.769 -3.103 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.252 3.623 -3.815 1.00 0.00 C ATOM 1061 C PRO A 69 -12.311 2.371 -2.945 1.00 0.00 C ATOM 1062 O PRO A 69 -12.179 2.445 -1.723 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.289 3.415 -4.986 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.995 3.985 -4.519 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.350 5.137 -3.620 1.00 0.00 C ATOM 0 HA PRO A 69 -13.282 3.806 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.189 2.358 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.643 3.921 -5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.410 3.238 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.389 4.320 -5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.625 5.257 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.378 6.080 -4.167 1.00 0.00 H new ATOM 1073 N THR A 70 -12.509 1.222 -3.583 1.00 0.00 N ATOM 1074 CA THR A 70 -12.586 -0.046 -2.868 1.00 0.00 C ATOM 1075 C THR A 70 -11.613 -1.065 -3.449 1.00 0.00 C ATOM 1076 O THR A 70 -11.229 -0.976 -4.615 1.00 0.00 O ATOM 1077 CB THR A 70 -14.011 -0.630 -2.912 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.017 -1.947 -2.351 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.532 -0.679 -4.340 1.00 0.00 C ATOM 0 H THR A 70 -12.619 1.143 -4.594 1.00 0.00 H new ATOM 0 HA THR A 70 -12.317 0.159 -1.832 1.00 0.00 H new ATOM 0 HB THR A 70 -14.664 0.017 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.926 -2.311 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.540 -1.095 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.553 0.329 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.877 -1.306 -4.945 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.218 -2.033 -2.629 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.290 -3.071 -3.063 1.00 0.00 C ATOM 1089 C VAL A 71 -10.557 -3.478 -4.508 1.00 0.00 C ATOM 1090 O VAL A 71 -9.666 -3.413 -5.355 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.384 -4.319 -2.165 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.472 -5.421 -2.683 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.042 -3.966 -0.725 1.00 0.00 C ATOM 0 H VAL A 71 -11.526 -2.120 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.287 -2.651 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.410 -4.687 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.552 -6.294 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.768 -5.692 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.441 -5.067 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.113 -4.859 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.027 -3.572 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.740 -3.213 -0.359 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.788 -3.896 -4.782 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.171 -4.313 -6.126 1.00 0.00 C ATOM 1105 C GLU A 72 -11.731 -3.282 -7.161 1.00 0.00 C ATOM 1106 O GLU A 72 -11.022 -3.608 -8.114 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.685 -4.520 -6.207 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.133 -5.911 -5.793 1.00 0.00 C ATOM 1109 CD GLU A 72 -13.909 -6.944 -6.881 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -14.790 -7.085 -7.755 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.853 -7.611 -6.858 1.00 0.00 O ATOM 0 H GLU A 72 -12.537 -3.955 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.670 -5.257 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.178 -3.785 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.015 -4.330 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.592 -6.211 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.191 -5.886 -5.534 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.156 -2.039 -6.968 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.809 -0.961 -7.886 1.00 0.00 C ATOM 1120 C TYR A 73 -10.296 -0.809 -8.001 1.00 0.00 C ATOM 1121 O TYR A 73 -9.744 -0.788 -9.101 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.431 0.356 -7.418 1.00 0.00 C ATOM 1123 CG TYR A 73 -12.013 1.551 -8.244 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -10.810 2.202 -8.000 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -12.820 2.029 -9.269 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -10.424 3.295 -8.752 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -12.441 3.120 -10.027 1.00 0.00 C ATOM 1128 CZ TYR A 73 -11.242 3.749 -9.765 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.862 4.837 -10.517 1.00 0.00 O ATOM 0 H TYR A 73 -12.742 -1.753 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.206 -1.214 -8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.517 0.266 -7.448 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.154 0.529 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.166 1.848 -7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.760 1.539 -9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.487 3.791 -8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.080 3.478 -10.820 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.550 5.026 -11.189 1.00 0.00 H new ATOM 1139 N MET A 74 -9.630 -0.704 -6.855 1.00 0.00 N ATOM 1140 CA MET A 74 -8.179 -0.556 -6.826 1.00 0.00 C ATOM 1141 C MET A 74 -7.522 -1.433 -7.887 1.00 0.00 C ATOM 1142 O MET A 74 -6.469 -1.090 -8.423 1.00 0.00 O ATOM 1143 CB MET A 74 -7.636 -0.917 -5.442 1.00 0.00 C ATOM 1144 CG MET A 74 -7.668 0.240 -4.456 1.00 0.00 C ATOM 1145 SD MET A 74 -6.831 1.709 -5.082 1.00 0.00 S ATOM 1146 CE MET A 74 -5.162 1.089 -5.281 1.00 0.00 C ATOM 0 H MET A 74 -10.071 -0.719 -5.936 1.00 0.00 H new ATOM 0 HA MET A 74 -7.940 0.485 -7.042 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.218 -1.745 -5.037 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.609 -1.269 -5.544 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.704 0.487 -4.226 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.199 -0.070 -3.522 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.450 1.851 -4.964 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.031 0.195 -4.672 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.988 0.843 -6.328 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.150 -2.565 -8.185 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.625 -3.491 -9.182 1.00 0.00 C ATOM 1158 C ASN A 75 -7.988 -3.036 -10.592 1.00 0.00 C ATOM 1159 O ASN A 75 -7.179 -3.133 -11.515 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.165 -4.901 -8.934 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.412 -5.623 -7.834 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.202 -5.829 -7.926 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.127 -6.012 -6.785 1.00 0.00 N ATOM 0 H ASN A 75 -9.023 -2.864 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.539 -3.504 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.221 -4.841 -8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.100 -5.479 -9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.675 -6.503 -6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.128 -5.820 -6.751 1.00 0.00 H new ATOM 1170 N SER A 76 -9.210 -2.538 -10.751 1.00 0.00 N ATOM 1171 CA SER A 76 -9.683 -2.070 -12.049 1.00 0.00 C ATOM 1172 C SER A 76 -8.661 -1.139 -12.695 1.00 0.00 C ATOM 1173 O SER A 76 -8.587 -1.037 -13.920 1.00 0.00 O ATOM 1174 CB SER A 76 -11.023 -1.349 -11.897 1.00 0.00 C ATOM 1175 OG SER A 76 -12.035 -2.239 -11.460 1.00 0.00 O ATOM 0 H SER A 76 -9.891 -2.448 -9.997 1.00 0.00 H new ATOM 0 HA SER A 76 -9.817 -2.938 -12.695 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.921 -0.531 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.311 -0.906 -12.850 1.00 0.00 H new ATOM 0 HG SER A 76 -12.881 -1.753 -11.369 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.877 -0.462 -11.863 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.859 0.459 -12.353 1.00 0.00 C ATOM 1183 C ILE A 77 -5.896 -0.241 -13.306 1.00 0.00 C ATOM 1184 O ILE A 77 -5.360 -1.304 -12.992 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.057 1.079 -11.194 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.887 2.153 -10.487 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -4.751 1.666 -11.708 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.643 1.636 -9.282 1.00 0.00 C ATOM 0 H ILE A 77 -7.927 -0.534 -10.847 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.382 1.252 -12.888 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.823 0.295 -10.474 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.228 2.962 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.597 2.578 -11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.195 2.100 -10.877 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.155 0.879 -12.171 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.965 2.440 -12.445 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.209 2.451 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.328 0.847 -9.593 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.937 1.237 -8.553 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.681 0.363 -14.469 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.782 -0.202 -15.468 1.00 0.00 C ATOM 1202 C TYR A 78 -3.866 0.872 -16.047 1.00 0.00 C ATOM 1203 O TYR A 78 -2.697 0.970 -15.677 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.585 -0.862 -16.591 1.00 0.00 C ATOM 1205 CG TYR A 78 -5.912 -2.314 -16.328 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -4.944 -3.301 -16.463 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -7.191 -2.700 -15.944 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -5.239 -4.629 -16.225 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.495 -4.026 -15.701 1.00 0.00 C ATOM 1210 CZ TYR A 78 -6.516 -4.987 -15.844 1.00 0.00 C ATOM 1211 OH TYR A 78 -6.813 -6.308 -15.604 1.00 0.00 O ATOM 0 H TYR A 78 -6.117 1.244 -14.743 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.164 -0.956 -14.979 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.513 -0.310 -16.736 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.022 -0.788 -17.521 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.943 -3.025 -16.759 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.961 -1.950 -15.834 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.474 -5.383 -16.336 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.493 -4.308 -15.401 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.754 -6.390 -15.344 1.00 0.00 H new ATOM 1221 N ASN A 79 -4.407 1.675 -16.957 1.00 0.00 N ATOM 1222 CA ASN A 79 -3.640 2.743 -17.587 1.00 0.00 C ATOM 1223 C ASN A 79 -4.505 3.530 -18.567 1.00 0.00 C ATOM 1224 O ASN A 79 -5.252 2.965 -19.366 1.00 0.00 O ATOM 1225 CB ASN A 79 -2.424 2.164 -18.314 1.00 0.00 C ATOM 1226 CG ASN A 79 -1.275 3.151 -18.394 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -1.197 3.956 -19.322 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.375 3.091 -17.419 1.00 0.00 N ATOM 0 H ASN A 79 -5.374 1.606 -17.275 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.299 3.422 -16.805 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.091 1.263 -17.799 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.714 1.866 -19.321 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.421 3.729 -17.420 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.480 2.407 -16.669 1.00 0.00 H new ATOM 1235 N PRO A 80 -4.403 4.866 -18.505 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.518 5.549 -17.557 1.00 0.00 C ATOM 1237 C PRO A 80 -4.002 5.422 -16.117 1.00 0.00 C ATOM 1238 O PRO A 80 -5.199 5.288 -15.863 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.572 7.010 -18.012 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.884 7.143 -18.706 1.00 0.00 C ATOM 1241 CD PRO A 80 -5.145 5.812 -19.356 1.00 0.00 C ATOM 0 HA PRO A 80 -2.514 5.124 -17.558 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.502 7.691 -17.164 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.745 7.247 -18.681 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.675 7.394 -18.000 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.854 7.941 -19.448 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.210 5.579 -19.382 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.789 5.791 -20.386 1.00 0.00 H new ATOM 1249 N VAL A 81 -3.064 5.463 -15.176 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.395 5.354 -13.760 1.00 0.00 C ATOM 1251 C VAL A 81 -4.104 6.609 -13.263 1.00 0.00 C ATOM 1252 O VAL A 81 -3.746 7.734 -13.612 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.136 5.117 -12.906 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.357 3.917 -13.424 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.262 6.362 -12.888 1.00 0.00 C ATOM 0 H VAL A 81 -2.068 5.571 -15.369 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.062 4.498 -13.656 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.447 4.904 -11.883 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.471 3.765 -12.808 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.986 3.028 -13.380 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.055 4.097 -14.456 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.377 6.176 -12.280 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.958 6.608 -13.905 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.824 7.195 -12.466 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.135 6.414 -12.428 1.00 0.00 N ATOM 1266 CA PRO A 82 -5.916 7.518 -11.863 1.00 0.00 C ATOM 1267 C PRO A 82 -5.120 8.332 -10.848 1.00 0.00 C ATOM 1268 O PRO A 82 -5.634 9.286 -10.264 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.089 6.811 -11.180 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.577 5.447 -10.865 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.617 5.100 -11.969 1.00 0.00 C ATOM 0 HA PRO A 82 -6.219 8.234 -12.626 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.396 7.337 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.960 6.766 -11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.079 5.431 -9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.393 4.726 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.799 4.475 -11.609 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.109 4.550 -12.771 1.00 0.00 H new ATOM 1279 N TRP A 83 -3.865 7.949 -10.645 1.00 0.00 N ATOM 1280 CA TRP A 83 -2.998 8.644 -9.700 1.00 0.00 C ATOM 1281 C TRP A 83 -1.792 9.248 -10.410 1.00 0.00 C ATOM 1282 O TRP A 83 -0.774 9.540 -9.784 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.532 7.686 -8.603 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.673 6.569 -9.115 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.375 6.658 -9.529 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.052 5.197 -9.268 1.00 0.00 C ATOM 1287 NE1 TRP A 83 0.076 5.424 -9.931 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.934 4.511 -9.780 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.227 4.481 -9.022 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.958 3.145 -10.050 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.250 3.126 -9.290 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.121 2.469 -9.799 1.00 0.00 C ATOM 0 H TRP A 83 -3.425 7.162 -11.121 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.572 9.452 -9.247 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -1.976 8.248 -7.852 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.405 7.264 -8.104 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.211 7.565 -9.539 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.011 5.221 -10.284 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.102 4.978 -8.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.090 2.637 -10.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.153 2.563 -9.104 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.170 1.408 -9.997 1.00 0.00 H new ATOM 1303 N GLU A 84 -1.913 9.432 -11.721 1.00 0.00 N ATOM 1304 CA GLU A 84 -0.831 10.001 -12.516 1.00 0.00 C ATOM 1305 C GLU A 84 -0.896 11.525 -12.511 1.00 0.00 C ATOM 1306 O GLU A 84 -0.377 12.183 -13.414 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.896 9.481 -13.954 1.00 0.00 C ATOM 1308 CG GLU A 84 0.468 9.283 -14.592 1.00 0.00 C ATOM 1309 CD GLU A 84 1.148 10.594 -14.935 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.934 11.098 -16.057 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.894 11.116 -14.080 1.00 0.00 O ATOM 0 H GLU A 84 -2.749 9.195 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 84 0.114 9.693 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.434 8.533 -13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.472 10.181 -14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.104 8.715 -13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.358 8.687 -15.498 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.537 12.081 -11.489 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.670 13.528 -11.364 1.00 0.00 C ATOM 1320 C LYS A 85 -0.758 14.066 -10.267 1.00 0.00 C ATOM 1321 O LYS A 85 -0.779 13.580 -9.136 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.123 13.902 -11.063 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.125 13.260 -12.007 1.00 0.00 C ATOM 1324 CD LYS A 85 -3.996 13.811 -13.417 1.00 0.00 C ATOM 1325 CE LYS A 85 -4.377 15.283 -13.477 1.00 0.00 C ATOM 1326 NZ LYS A 85 -4.926 15.659 -14.809 1.00 0.00 N ATOM 0 H LYS A 85 -1.973 11.551 -10.734 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.373 13.978 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.360 13.609 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.229 14.986 -11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.972 12.181 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.136 13.434 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.971 13.685 -13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.635 13.241 -14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.116 15.499 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.501 15.894 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.174 16.669 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.212 15.477 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.777 15.094 -15.006 1.00 0.00 H new ATOM 1340 N ASP A 86 0.041 15.071 -10.608 1.00 0.00 N ATOM 1341 CA ASP A 86 0.959 15.676 -9.650 1.00 0.00 C ATOM 1342 C ASP A 86 0.224 16.093 -8.381 1.00 0.00 C ATOM 1343 O ASP A 86 0.713 15.883 -7.272 1.00 0.00 O ATOM 1344 CB ASP A 86 1.654 16.889 -10.274 1.00 0.00 C ATOM 1345 CG ASP A 86 2.438 16.529 -11.520 1.00 0.00 C ATOM 1346 OD1 ASP A 86 1.890 15.806 -12.379 1.00 0.00 O ATOM 1347 OD2 ASP A 86 3.600 16.971 -11.638 1.00 0.00 O ATOM 0 H ASP A 86 0.072 15.484 -11.540 1.00 0.00 H new ATOM 0 HA ASP A 86 1.710 14.932 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.908 17.643 -10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.326 17.336 -9.541 1.00 0.00 H new ATOM 1352 N GLU A 87 -0.954 16.686 -8.552 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.755 17.133 -7.419 1.00 0.00 C ATOM 1354 C GLU A 87 -1.720 16.109 -6.289 1.00 0.00 C ATOM 1355 O GLU A 87 -1.673 16.468 -5.112 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.202 17.379 -7.855 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.871 16.157 -8.460 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.241 16.466 -9.033 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -5.966 17.284 -8.429 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.587 15.889 -10.085 1.00 0.00 O ATOM 0 H GLU A 87 -1.374 16.868 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.329 18.067 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.781 17.710 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.220 18.191 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.235 15.751 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.966 15.384 -7.697 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.744 14.832 -6.655 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.718 13.755 -5.674 1.00 0.00 C ATOM 1369 C TYR A 88 -0.427 13.789 -4.861 1.00 0.00 C ATOM 1370 O TYR A 88 -0.433 13.552 -3.653 1.00 0.00 O ATOM 1371 CB TYR A 88 -1.861 12.399 -6.368 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.155 12.245 -7.134 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.376 12.544 -6.541 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.158 11.799 -8.450 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.561 12.403 -7.236 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.339 11.658 -9.154 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.537 11.961 -8.542 1.00 0.00 C ATOM 1378 OH TYR A 88 -6.716 11.819 -9.239 1.00 0.00 O ATOM 0 H TYR A 88 -1.781 14.518 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.558 13.898 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.024 12.261 -7.053 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.795 11.609 -5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.398 12.893 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.221 11.558 -8.931 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.501 12.638 -6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.324 11.313 -10.177 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.695 10.984 -9.751 1.00 0.00 H new ATOM 1388 N LEU A 89 0.679 14.086 -5.534 1.00 0.00 N ATOM 1389 CA LEU A 89 1.980 14.152 -4.876 1.00 0.00 C ATOM 1390 C LEU A 89 1.850 14.731 -3.471 1.00 0.00 C ATOM 1391 O LEU A 89 2.548 14.311 -2.548 1.00 0.00 O ATOM 1392 CB LEU A 89 2.948 15.001 -5.702 1.00 0.00 C ATOM 1393 CG LEU A 89 3.430 14.382 -7.015 1.00 0.00 C ATOM 1394 CD1 LEU A 89 4.030 15.448 -7.919 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.442 13.279 -6.745 1.00 0.00 C ATOM 0 H LEU A 89 0.702 14.285 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 89 2.372 13.138 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.465 15.952 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.820 15.224 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 89 2.572 13.944 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.367 14.989 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.276 16.204 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.877 15.916 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.774 12.850 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.299 13.693 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.979 12.502 -6.137 1.00 0.00 H new ATOM 1407 N LYS A 90 0.952 15.697 -3.315 1.00 0.00 N ATOM 1408 CA LYS A 90 0.727 16.333 -2.022 1.00 0.00 C ATOM 1409 C LYS A 90 0.000 15.388 -1.071 1.00 0.00 C ATOM 1410 O LYS A 90 -0.895 14.640 -1.464 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.083 17.620 -2.197 1.00 0.00 C ATOM 1412 CG LYS A 90 0.776 18.854 -2.410 1.00 0.00 C ATOM 1413 CD LYS A 90 1.045 19.098 -3.886 1.00 0.00 C ATOM 1414 CE LYS A 90 2.315 18.396 -4.344 1.00 0.00 C ATOM 1415 NZ LYS A 90 3.539 19.102 -3.874 1.00 0.00 N ATOM 0 H LYS A 90 0.367 16.057 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 90 1.698 16.578 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.755 17.504 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.707 17.769 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.278 19.724 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.722 18.736 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.199 18.743 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.134 20.169 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.320 17.372 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.325 18.337 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.371 18.720 -4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.453 20.118 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.649 18.962 -2.849 1.00 0.00 H new ATOM 1429 N PRO A 91 0.392 15.421 0.212 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.211 14.575 1.246 1.00 0.00 C ATOM 1431 C PRO A 91 -1.643 14.988 1.570 1.00 0.00 C ATOM 1432 O PRO A 91 -1.874 16.009 2.218 1.00 0.00 O ATOM 1433 CB PRO A 91 0.696 14.796 2.459 1.00 0.00 C ATOM 1434 CG PRO A 91 1.301 16.140 2.240 1.00 0.00 C ATOM 1435 CD PRO A 91 1.453 16.288 0.751 1.00 0.00 C ATOM 0 HA PRO A 91 -0.279 13.534 0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.128 14.764 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.462 14.023 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.665 16.926 2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.266 16.220 2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.325 17.323 0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.440 15.972 0.414 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.602 14.187 1.116 1.00 0.00 N ATOM 1444 CA VAL A 92 -4.012 14.468 1.359 1.00 0.00 C ATOM 1445 C VAL A 92 -4.285 14.662 2.847 1.00 0.00 C ATOM 1446 O VAL A 92 -5.261 15.308 3.231 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.910 13.335 0.828 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.374 13.640 1.106 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.674 13.123 -0.660 1.00 0.00 C ATOM 0 H VAL A 92 -2.428 13.338 0.578 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.248 15.389 0.825 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.651 12.413 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.994 12.829 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.527 13.739 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.652 14.572 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.316 12.319 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.906 14.041 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.631 12.857 -0.829 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.416 14.100 3.680 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.562 14.212 5.127 1.00 0.00 C ATOM 1461 C LEU A 93 -2.288 14.759 5.763 1.00 0.00 C ATOM 1462 O LEU A 93 -1.346 15.130 5.064 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.903 12.849 5.732 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.797 11.943 4.885 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.956 11.043 3.994 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.711 11.113 5.775 1.00 0.00 C ATOM 0 H LEU A 93 -2.603 13.562 3.378 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.376 14.908 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.971 12.320 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.392 13.012 6.693 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.418 12.572 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.610 10.406 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.345 11.656 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.309 10.421 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.340 10.474 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.108 10.494 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.340 11.776 6.369 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.268 14.804 7.091 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.108 15.305 7.820 1.00 0.00 C ATOM 1480 C GLU A 94 -0.281 14.153 8.384 1.00 0.00 C ATOM 1481 O GLU A 94 -0.745 13.014 8.448 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.552 16.231 8.954 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.591 17.379 9.213 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.843 18.063 10.543 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.938 18.638 10.715 1.00 0.00 O ATOM 1486 OE2 GLU A 94 0.053 18.022 11.411 1.00 0.00 O ATOM 0 H GLU A 94 -3.040 14.500 7.684 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.488 15.868 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.535 16.638 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.661 15.647 9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.432 17.004 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.680 18.111 8.410 1.00 0.00 H new ATOM 1493 N ASP A 95 0.947 14.457 8.790 1.00 0.00 N ATOM 1494 CA ASP A 95 1.840 13.449 9.348 1.00 0.00 C ATOM 1495 C ASP A 95 1.761 12.151 8.550 1.00 0.00 C ATOM 1496 O ASP A 95 1.830 11.059 9.114 1.00 0.00 O ATOM 1497 CB ASP A 95 1.490 13.183 10.813 1.00 0.00 C ATOM 1498 CG ASP A 95 0.026 13.435 11.114 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.334 14.602 11.373 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -0.761 12.465 11.091 1.00 0.00 O ATOM 0 H ASP A 95 1.347 15.394 8.743 1.00 0.00 H new ATOM 0 HA ASP A 95 2.860 13.829 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.736 12.150 11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.104 13.819 11.451 1.00 0.00 H new ATOM 1505 N ASP A 96 1.615 12.279 7.236 1.00 0.00 N ATOM 1506 CA ASP A 96 1.526 11.116 6.360 1.00 0.00 C ATOM 1507 C ASP A 96 2.773 10.246 6.484 1.00 0.00 C ATOM 1508 O ASP A 96 3.818 10.554 5.909 1.00 0.00 O ATOM 1509 CB ASP A 96 1.340 11.559 4.907 1.00 0.00 C ATOM 1510 CG ASP A 96 2.114 12.822 4.584 1.00 0.00 C ATOM 1511 OD1 ASP A 96 1.596 13.923 4.864 1.00 0.00 O ATOM 1512 OD2 ASP A 96 3.237 12.709 4.050 1.00 0.00 O ATOM 0 H ASP A 96 1.556 13.176 6.754 1.00 0.00 H new ATOM 0 HA ASP A 96 0.662 10.526 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.663 10.758 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.280 11.726 4.714 1.00 0.00 H new ATOM 1517 N LEU A 97 2.656 9.159 7.238 1.00 0.00 N ATOM 1518 CA LEU A 97 3.774 8.244 7.439 1.00 0.00 C ATOM 1519 C LEU A 97 3.920 7.294 6.255 1.00 0.00 C ATOM 1520 O LEU A 97 5.022 6.844 5.937 1.00 0.00 O ATOM 1521 CB LEU A 97 3.579 7.444 8.728 1.00 0.00 C ATOM 1522 CG LEU A 97 3.124 8.242 9.951 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.590 7.310 11.028 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.268 9.086 10.492 1.00 0.00 C ATOM 0 H LEU A 97 1.799 8.890 7.720 1.00 0.00 H new ATOM 0 HA LEU A 97 4.685 8.836 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.846 6.660 8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.520 6.950 8.971 1.00 0.00 H new ATOM 0 HG LEU A 97 2.319 8.910 9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.271 7.895 11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.741 6.749 10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.374 6.616 11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.926 9.647 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.094 8.437 10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.604 9.780 9.722 1.00 0.00 H new ATOM 1536 N LEU A 98 2.802 6.993 5.603 1.00 0.00 N ATOM 1537 CA LEU A 98 2.805 6.097 4.452 1.00 0.00 C ATOM 1538 C LEU A 98 3.703 6.638 3.344 1.00 0.00 C ATOM 1539 O LEU A 98 4.523 5.909 2.784 1.00 0.00 O ATOM 1540 CB LEU A 98 1.381 5.910 3.923 1.00 0.00 C ATOM 1541 CG LEU A 98 0.371 5.323 4.910 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.023 5.309 4.302 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.787 3.920 5.329 1.00 0.00 C ATOM 0 H LEU A 98 1.882 7.356 5.852 1.00 0.00 H new ATOM 0 HA LEU A 98 3.197 5.132 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.010 6.878 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.422 5.262 3.047 1.00 0.00 H new ATOM 0 HG LEU A 98 0.351 5.954 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.728 4.888 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.322 6.327 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.019 4.701 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.057 3.518 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.837 3.277 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.766 3.958 5.806 1.00 0.00 H new ATOM 1555 N LEU A 99 3.545 7.920 3.034 1.00 0.00 N ATOM 1556 CA LEU A 99 4.343 8.560 1.994 1.00 0.00 C ATOM 1557 C LEU A 99 5.826 8.527 2.349 1.00 0.00 C ATOM 1558 O LEU A 99 6.678 8.355 1.477 1.00 0.00 O ATOM 1559 CB LEU A 99 3.888 10.006 1.791 1.00 0.00 C ATOM 1560 CG LEU A 99 2.393 10.211 1.546 1.00 0.00 C ATOM 1561 CD1 LEU A 99 2.106 11.658 1.174 1.00 0.00 C ATOM 1562 CD2 LEU A 99 1.898 9.271 0.457 1.00 0.00 C ATOM 0 H LEU A 99 2.871 8.537 3.488 1.00 0.00 H new ATOM 0 HA LEU A 99 4.197 8.006 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.174 10.583 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.435 10.423 0.945 1.00 0.00 H new ATOM 0 HG LEU A 99 1.858 9.982 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.037 11.785 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.424 12.312 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.651 11.915 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.832 9.430 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.439 9.469 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.068 8.239 0.762 1.00 0.00 H new ATOM 1574 N GLN A 100 6.126 8.689 3.633 1.00 0.00 N ATOM 1575 CA GLN A 100 7.507 8.676 4.102 1.00 0.00 C ATOM 1576 C GLN A 100 7.883 7.303 4.649 1.00 0.00 C ATOM 1577 O GLN A 100 8.610 7.194 5.637 1.00 0.00 O ATOM 1578 CB GLN A 100 7.711 9.741 5.182 1.00 0.00 C ATOM 1579 CG GLN A 100 6.432 10.120 5.912 1.00 0.00 C ATOM 1580 CD GLN A 100 6.696 10.700 7.288 1.00 0.00 C ATOM 1581 OE1 GLN A 100 6.196 11.772 7.628 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.485 9.992 8.087 1.00 0.00 N ATOM 0 H GLN A 100 5.432 8.831 4.367 1.00 0.00 H new ATOM 0 HA GLN A 100 8.154 8.899 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.439 9.377 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.137 10.634 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.879 10.846 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.798 9.238 6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.878 9.108 7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.698 10.332 9.025 1.00 0.00 H new ATOM 1591 N PHE A 101 7.383 6.256 4.000 1.00 0.00 N ATOM 1592 CA PHE A 101 7.666 4.889 4.421 1.00 0.00 C ATOM 1593 C PHE A 101 8.839 4.309 3.636 1.00 0.00 C ATOM 1594 O PHE A 101 9.130 4.745 2.522 1.00 0.00 O ATOM 1595 CB PHE A 101 6.428 4.009 4.235 1.00 0.00 C ATOM 1596 CG PHE A 101 6.746 2.547 4.108 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.940 1.766 5.236 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.850 1.953 2.861 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.233 0.420 5.123 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.141 0.607 2.741 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.334 -0.160 3.874 1.00 0.00 C ATOM 0 H PHE A 101 6.780 6.329 3.181 1.00 0.00 H new ATOM 0 HA PHE A 101 7.934 4.909 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.758 4.155 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.891 4.335 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.861 2.214 6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.702 2.548 1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.383 -0.177 6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.217 0.155 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.563 -1.211 3.783 1.00 0.00 H new ATOM 1611 N ASP A 102 9.508 3.325 4.226 1.00 0.00 N ATOM 1612 CA ASP A 102 10.649 2.684 3.582 1.00 0.00 C ATOM 1613 C ASP A 102 10.199 1.833 2.399 1.00 0.00 C ATOM 1614 O ASP A 102 10.167 0.605 2.481 1.00 0.00 O ATOM 1615 CB ASP A 102 11.410 1.819 4.589 1.00 0.00 C ATOM 1616 CG ASP A 102 11.961 2.627 5.747 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.361 3.670 6.081 1.00 0.00 O ATOM 1618 OD2 ASP A 102 12.994 2.218 6.318 1.00 0.00 O ATOM 0 H ASP A 102 9.280 2.954 5.148 1.00 0.00 H new ATOM 0 HA ASP A 102 11.312 3.466 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.746 1.045 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.230 1.312 4.081 1.00 0.00 H new ATOM 1623 N VAL A 103 9.851 2.495 1.300 1.00 0.00 N ATOM 1624 CA VAL A 103 9.402 1.799 0.099 1.00 0.00 C ATOM 1625 C VAL A 103 10.586 1.326 -0.736 1.00 0.00 C ATOM 1626 O VAL A 103 10.505 0.308 -1.423 1.00 0.00 O ATOM 1627 CB VAL A 103 8.503 2.700 -0.768 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.326 3.790 -1.438 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.759 1.871 -1.804 1.00 0.00 C ATOM 0 H VAL A 103 9.871 3.511 1.216 1.00 0.00 H new ATOM 0 HA VAL A 103 8.826 0.935 0.430 1.00 0.00 H new ATOM 0 HB VAL A 103 7.767 3.179 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.674 4.416 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.809 4.402 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.086 3.334 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.129 2.524 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.477 1.363 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.137 1.131 -1.300 1.00 0.00 H new ATOM 1639 N GLU A 104 11.685 2.071 -0.672 1.00 0.00 N ATOM 1640 CA GLU A 104 12.886 1.727 -1.424 1.00 0.00 C ATOM 1641 C GLU A 104 13.202 0.240 -1.292 1.00 0.00 C ATOM 1642 O GLU A 104 13.482 -0.437 -2.282 1.00 0.00 O ATOM 1643 CB GLU A 104 14.075 2.557 -0.937 1.00 0.00 C ATOM 1644 CG GLU A 104 14.019 4.013 -1.370 1.00 0.00 C ATOM 1645 CD GLU A 104 15.376 4.688 -1.325 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.948 4.794 -0.220 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.865 5.109 -2.393 1.00 0.00 O ATOM 0 H GLU A 104 11.768 2.916 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 104 12.702 1.951 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.118 2.512 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.996 2.111 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.622 4.072 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.327 4.554 -0.724 1.00 0.00 H new ATOM 1654 N ASP A 105 13.156 -0.262 -0.063 1.00 0.00 N ATOM 1655 CA ASP A 105 13.437 -1.669 0.200 1.00 0.00 C ATOM 1656 C ASP A 105 12.702 -2.565 -0.793 1.00 0.00 C ATOM 1657 O ASP A 105 13.221 -3.599 -1.215 1.00 0.00 O ATOM 1658 CB ASP A 105 13.035 -2.033 1.630 1.00 0.00 C ATOM 1659 CG ASP A 105 13.951 -1.411 2.665 1.00 0.00 C ATOM 1660 OD1 ASP A 105 15.180 -1.614 2.568 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.440 -0.723 3.573 1.00 0.00 O ATOM 0 H ASP A 105 12.927 0.284 0.767 1.00 0.00 H new ATOM 0 HA ASP A 105 14.509 -1.828 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.011 -1.705 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.047 -3.117 1.743 1.00 0.00 H new ATOM 1666 N LEU A 106 11.490 -2.162 -1.160 1.00 0.00 N ATOM 1667 CA LEU A 106 10.682 -2.928 -2.102 1.00 0.00 C ATOM 1668 C LEU A 106 11.367 -3.015 -3.462 1.00 0.00 C ATOM 1669 O LEU A 106 11.318 -4.049 -4.128 1.00 0.00 O ATOM 1670 CB LEU A 106 9.299 -2.291 -2.254 1.00 0.00 C ATOM 1671 CG LEU A 106 8.487 -2.137 -0.968 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.045 -1.774 -1.288 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.547 -3.413 -0.142 1.00 0.00 C ATOM 0 H LEU A 106 11.046 -1.309 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 106 10.569 -3.938 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.422 -1.305 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.720 -2.891 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 106 8.922 -1.328 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.482 -1.668 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.020 -0.833 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.598 -2.560 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.963 -3.284 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.138 -4.241 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.583 -3.630 0.118 1.00 0.00 H new