USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 686 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 Single : A 12 MET CE :methyl 152:sc= -0.886 (180deg=-2.58!) USER MOD Single : A 14 THR OG1 : rot -118:sc= -5.32! USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.114 (180deg=-0.239) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.2!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 28 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.12) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 170:sc= -1.31 USER MOD Single : A 37 TYR OH : rot 168:sc= 1.15 USER MOD Single : A 38 SER OG : rot 180:sc= 0.174 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= -0.575! (180deg=-0.947!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 25:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= -3.29 K(o=-3.3,f=-1.1) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00506 USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= -0.0748 (180deg=-0.877) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 140:sc= -0.0856 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -139:sc= -1.06 (180deg=-3.49!) USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.175) USER MOD Single : A 100 GLN : amide:sc= -8.76! C(o=-8.8!,f=-5.8!) USER MOD Single : A 102 ASN : amide:sc= 0.44 K(o=0.44,f=-6.5!) USER MOD Single : A 103 HIS : no HD1:sc= 0.298 K(o=0.87,f=-5.8!) USER MOD Single : A 104 HIS : no HD1:sc= -0.844 K(o=-0.84,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 170 N MET A 12 -1.517 15.138 10.635 1.00 50.00 N ATOM 171 CA MET A 12 -1.514 14.150 9.517 1.00 50.00 C ATOM 172 C MET A 12 -2.202 14.744 8.285 1.00 50.00 C ATOM 173 O MET A 12 -3.352 15.133 8.336 1.00 50.00 O ATOM 174 CB MET A 12 -2.304 12.952 10.046 1.00 50.00 C ATOM 175 CG MET A 12 -3.640 13.431 10.619 1.00 50.00 C ATOM 176 SD MET A 12 -4.951 12.282 10.132 1.00 50.00 S ATOM 177 CE MET A 12 -4.100 10.760 10.613 1.00 50.00 C ATOM 0 HA MET A 12 -0.505 13.872 9.214 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.477 12.235 9.244 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.730 12.437 10.816 1.00 50.00 H new ATOM 0 HG2 MET A 12 -3.581 13.493 11.706 1.00 50.00 H new ATOM 0 HG3 MET A 12 -3.866 14.433 10.255 1.00 50.00 H new ATOM 0 HE1 MET A 12 -4.835 9.999 10.876 1.00 50.00 H new ATOM 0 HE2 MET A 12 -3.492 10.405 9.781 1.00 50.00 H new ATOM 0 HE3 MET A 12 -3.459 10.957 11.473 1.00 50.00 H new ATOM 187 N CYS A 13 -1.512 14.824 7.177 1.00 99.99 N ATOM 188 CA CYS A 13 -2.148 15.402 5.957 1.00 99.99 C ATOM 189 C CYS A 13 -1.607 14.748 4.676 1.00 99.99 C ATOM 190 O CYS A 13 -0.514 15.032 4.232 1.00 99.99 O ATOM 191 CB CYS A 13 -1.765 16.889 5.975 1.00 99.99 C ATOM 192 SG CYS A 13 -1.038 17.343 7.575 1.00 99.99 S ATOM 0 H CYS A 13 -0.546 14.518 7.065 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.226 15.239 5.962 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -1.055 17.097 5.175 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.648 17.500 5.784 1.00 99.99 H new ATOM 197 N THR A 14 -2.381 13.905 4.058 1.00 99.99 N ATOM 198 CA THR A 14 -1.921 13.267 2.789 1.00 99.99 C ATOM 199 C THR A 14 -3.108 12.667 2.032 1.00 99.99 C ATOM 200 O THR A 14 -2.946 11.811 1.185 1.00 99.99 O ATOM 201 CB THR A 14 -0.941 12.174 3.209 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.341 12.526 4.448 1.00 99.99 O ATOM 203 CG2 THR A 14 0.142 12.022 2.140 1.00 99.99 C ATOM 0 H THR A 14 -3.311 13.628 4.373 1.00 99.99 H new ATOM 0 HA THR A 14 -1.452 13.989 2.120 1.00 99.99 H new ATOM 0 HB THR A 14 -1.475 11.230 3.321 1.00 99.99 H new ATOM 0 HG1 THR A 14 0.627 12.618 4.328 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.842 11.242 2.439 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.319 11.751 1.191 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.677 12.965 2.027 1.00 99.99 H new ATOM 211 N GLU A 15 -4.302 13.101 2.332 1.00 99.99 N ATOM 212 CA GLU A 15 -5.494 12.544 1.631 1.00 99.99 C ATOM 213 C GLU A 15 -5.367 12.746 0.118 1.00 99.99 C ATOM 214 O GLU A 15 -6.119 12.185 -0.654 1.00 99.99 O ATOM 215 CB GLU A 15 -6.686 13.330 2.182 1.00 99.99 C ATOM 216 CG GLU A 15 -6.709 14.730 1.563 1.00 99.99 C ATOM 217 CD GLU A 15 -7.704 14.760 0.402 1.00 99.99 C ATOM 218 OE1 GLU A 15 -8.166 13.698 0.017 1.00 99.99 O ATOM 219 OE2 GLU A 15 -7.987 15.843 -0.081 1.00 99.99 O ATOM 0 H GLU A 15 -4.503 13.816 3.031 1.00 99.99 H new ATOM 0 HA GLU A 15 -5.603 11.472 1.797 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -7.615 12.807 1.957 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -6.616 13.402 3.267 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -6.990 15.467 2.315 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -5.714 14.999 1.209 1.00 99.99 H new ATOM 226 N LYS A 16 -4.427 13.542 -0.312 1.00 50.00 N ATOM 227 CA LYS A 16 -4.266 13.772 -1.776 1.00 50.00 C ATOM 228 C LYS A 16 -3.504 12.609 -2.418 1.00 50.00 C ATOM 229 O LYS A 16 -2.446 12.786 -2.988 1.00 50.00 O ATOM 230 CB LYS A 16 -3.461 15.067 -1.883 1.00 50.00 C ATOM 231 CG LYS A 16 -4.352 16.255 -1.514 1.00 50.00 C ATOM 232 CD LYS A 16 -3.900 16.835 -0.173 1.00 50.00 C ATOM 233 CE LYS A 16 -4.540 18.210 0.032 1.00 50.00 C ATOM 234 NZ LYS A 16 -3.832 18.791 1.205 1.00 50.00 N ATOM 0 H LYS A 16 -3.766 14.041 0.284 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.224 13.842 -2.291 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.598 15.027 -1.219 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.078 15.187 -2.897 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -4.297 17.019 -2.290 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -5.393 15.937 -1.452 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.184 16.165 0.639 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -2.814 16.921 -0.150 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -4.421 18.837 -0.852 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -5.610 18.124 0.220 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -4.011 19.815 1.246 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -4.180 18.343 2.077 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -2.810 18.621 1.113 1.00 50.00 H new ATOM 248 N PHE A 17 -4.039 11.420 -2.336 1.00 50.00 N ATOM 249 CA PHE A 17 -3.357 10.246 -2.946 1.00 50.00 C ATOM 250 C PHE A 17 -3.891 10.010 -4.362 1.00 50.00 C ATOM 251 O PHE A 17 -5.036 10.291 -4.657 1.00 50.00 O ATOM 252 CB PHE A 17 -3.724 9.073 -2.038 1.00 50.00 C ATOM 253 CG PHE A 17 -2.492 8.556 -1.336 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.411 9.408 -1.077 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.434 7.216 -0.944 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.272 8.916 -0.427 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.297 6.723 -0.294 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.216 7.573 -0.036 1.00 50.00 C ATOM 0 H PHE A 17 -4.923 11.213 -1.871 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.279 10.383 -3.028 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.465 9.389 -1.304 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.178 8.276 -2.626 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.456 10.444 -1.378 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.268 6.560 -1.143 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.562 9.572 -0.228 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -1.254 5.687 0.008 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.662 7.193 0.465 1.00 50.00 H new ATOM 268 N SER A 18 -3.075 9.493 -5.239 1.00 50.00 N ATOM 269 CA SER A 18 -3.547 9.240 -6.630 1.00 50.00 C ATOM 270 C SER A 18 -3.259 7.789 -7.019 1.00 50.00 C ATOM 271 O SER A 18 -2.197 7.271 -6.753 1.00 50.00 O ATOM 272 CB SER A 18 -2.743 10.202 -7.504 1.00 50.00 C ATOM 273 OG SER A 18 -3.412 10.377 -8.746 1.00 50.00 O ATOM 0 H SER A 18 -2.106 9.236 -5.054 1.00 50.00 H new ATOM 0 HA SER A 18 -4.620 9.396 -6.741 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.630 11.162 -7.000 1.00 50.00 H new ATOM 0 HB3 SER A 18 -1.740 9.809 -7.670 1.00 50.00 H new ATOM 0 HG SER A 18 -2.900 10.995 -9.309 1.00 50.00 H new ATOM 279 N PHE A 19 -4.193 7.127 -7.644 1.00 50.00 N ATOM 280 CA PHE A 19 -3.953 5.705 -8.037 1.00 50.00 C ATOM 281 C PHE A 19 -3.190 5.645 -9.362 1.00 50.00 C ATOM 282 O PHE A 19 -3.687 6.046 -10.395 1.00 50.00 O ATOM 283 CB PHE A 19 -5.338 5.069 -8.200 1.00 50.00 C ATOM 284 CG PHE A 19 -6.352 5.807 -7.357 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.143 5.955 -5.980 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.498 6.344 -7.953 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.083 6.639 -5.200 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.437 7.028 -7.173 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.229 7.176 -5.796 1.00 50.00 C ATOM 0 H PHE A 19 -5.106 7.503 -7.899 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.357 5.181 -7.290 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.637 5.095 -9.248 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.302 4.020 -7.904 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -5.257 5.542 -5.520 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.658 6.231 -9.015 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -6.923 6.752 -4.138 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -9.322 7.442 -7.633 1.00 50.00 H new ATOM 0 HZ PHE A 19 -8.953 7.705 -5.194 1.00 50.00 H new ATOM 299 N ALA A 20 -1.989 5.139 -9.339 1.00 50.00 N ATOM 300 CA ALA A 20 -1.196 5.044 -10.596 1.00 50.00 C ATOM 301 C ALA A 20 -1.170 3.595 -11.089 1.00 50.00 C ATOM 302 O ALA A 20 -1.194 3.332 -12.275 1.00 50.00 O ATOM 303 CB ALA A 20 0.210 5.508 -10.217 1.00 50.00 C ATOM 0 H ALA A 20 -1.522 4.787 -8.503 1.00 50.00 H new ATOM 0 HA ALA A 20 -1.618 5.648 -11.399 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.856 5.466 -11.094 1.00 50.00 H new ATOM 0 HB2 ALA A 20 0.168 6.532 -9.846 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.611 4.857 -9.440 1.00 50.00 H new ATOM 309 N LYS A 21 -1.125 2.651 -10.187 1.00 50.00 N ATOM 310 CA LYS A 21 -1.097 1.220 -10.606 1.00 50.00 C ATOM 311 C LYS A 21 -1.823 0.353 -9.574 1.00 50.00 C ATOM 312 O LYS A 21 -1.900 0.693 -8.410 1.00 50.00 O ATOM 313 CB LYS A 21 0.386 0.850 -10.665 1.00 50.00 C ATOM 314 CG LYS A 21 1.175 1.992 -11.309 1.00 50.00 C ATOM 315 CD LYS A 21 2.518 1.464 -11.818 1.00 50.00 C ATOM 316 CE LYS A 21 3.450 2.641 -12.114 1.00 50.00 C ATOM 317 NZ LYS A 21 3.226 2.954 -13.553 1.00 50.00 N ATOM 0 H LYS A 21 -1.106 2.809 -9.179 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.595 1.062 -11.563 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.763 0.655 -9.661 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.520 -0.067 -11.239 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.606 2.422 -12.133 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.337 2.790 -10.584 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.969 0.808 -11.073 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.369 0.869 -12.719 1.00 50.00 H new ATOM 0 HE2 LYS A 21 3.217 3.498 -11.482 1.00 50.00 H new ATOM 0 HE3 LYS A 21 4.491 2.378 -11.924 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 3.831 3.752 -13.833 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.462 2.122 -14.130 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.228 3.207 -13.702 1.00 50.00 H new ATOM 331 N ASN A 22 -2.350 -0.766 -9.989 1.00 50.00 N ATOM 332 CA ASN A 22 -3.064 -1.654 -9.028 1.00 50.00 C ATOM 333 C ASN A 22 -2.065 -2.257 -8.035 1.00 50.00 C ATOM 334 O ASN A 22 -0.871 -2.212 -8.253 1.00 50.00 O ATOM 335 CB ASN A 22 -3.696 -2.747 -9.891 1.00 50.00 C ATOM 336 CG ASN A 22 -2.613 -3.717 -10.366 1.00 50.00 C ATOM 337 OD1 ASN A 22 -1.453 -3.362 -10.441 1.00 50.00 O ATOM 338 ND2 ASN A 22 -2.944 -4.936 -10.693 1.00 50.00 N ATOM 0 H ASN A 22 -2.317 -1.104 -10.951 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.813 -1.120 -8.443 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -4.453 -3.283 -9.319 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.200 -2.301 -10.748 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -2.229 -5.591 -11.011 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -3.917 -5.234 -10.630 1.00 50.00 H new ATOM 345 N PRO A 23 -2.590 -2.803 -6.972 1.00 50.00 N ATOM 346 CA PRO A 23 -1.732 -3.420 -5.932 1.00 50.00 C ATOM 347 C PRO A 23 -1.133 -4.731 -6.450 1.00 50.00 C ATOM 348 O PRO A 23 -1.781 -5.488 -7.146 1.00 50.00 O ATOM 349 CB PRO A 23 -2.697 -3.678 -4.777 1.00 50.00 C ATOM 350 CG PRO A 23 -4.044 -3.777 -5.418 1.00 50.00 C ATOM 351 CD PRO A 23 -4.016 -2.898 -6.640 1.00 50.00 C ATOM 0 HA PRO A 23 -0.889 -2.794 -5.641 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.443 -4.596 -4.247 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.665 -2.869 -4.047 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.267 -4.809 -5.690 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.824 -3.454 -4.728 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.589 -3.333 -7.459 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.445 -1.917 -6.437 1.00 50.00 H new ATOM 359 N ALA A 24 0.100 -5.005 -6.119 1.00 50.00 N ATOM 360 CA ALA A 24 0.734 -6.267 -6.599 1.00 50.00 C ATOM 361 C ALA A 24 1.542 -6.917 -5.474 1.00 50.00 C ATOM 362 O ALA A 24 1.826 -6.305 -4.464 1.00 50.00 O ATOM 363 CB ALA A 24 1.656 -5.837 -7.741 1.00 50.00 C ATOM 0 H ALA A 24 0.694 -4.412 -5.539 1.00 50.00 H new ATOM 0 HA ALA A 24 -0.004 -7.001 -6.923 1.00 50.00 H new ATOM 0 HB1 ALA A 24 2.162 -6.712 -8.150 1.00 50.00 H new ATOM 0 HB2 ALA A 24 1.067 -5.360 -8.524 1.00 50.00 H new ATOM 0 HB3 ALA A 24 2.397 -5.132 -7.364 1.00 50.00 H new ATOM 369 N ASP A 25 1.916 -8.157 -5.642 1.00 50.00 N ATOM 370 CA ASP A 25 2.706 -8.849 -4.584 1.00 50.00 C ATOM 371 C ASP A 25 4.205 -8.653 -4.832 1.00 50.00 C ATOM 372 O ASP A 25 4.628 -8.353 -5.930 1.00 50.00 O ATOM 373 CB ASP A 25 2.330 -10.326 -4.708 1.00 50.00 C ATOM 374 CG ASP A 25 2.545 -10.790 -6.150 1.00 50.00 C ATOM 375 OD1 ASP A 25 3.691 -10.968 -6.529 1.00 50.00 O ATOM 376 OD2 ASP A 25 1.561 -10.959 -6.850 1.00 50.00 O ATOM 0 H ASP A 25 1.708 -8.720 -6.467 1.00 50.00 H new ATOM 0 HA ASP A 25 2.494 -8.458 -3.589 1.00 50.00 H new ATOM 0 HB2 ASP A 25 2.936 -10.925 -4.028 1.00 50.00 H new ATOM 0 HB3 ASP A 25 1.289 -10.472 -4.419 1.00 50.00 H new ATOM 381 N THR A 26 5.008 -8.818 -3.818 1.00 50.00 N ATOM 382 CA THR A 26 6.478 -8.642 -3.995 1.00 50.00 C ATOM 383 C THR A 26 7.233 -9.792 -3.324 1.00 50.00 C ATOM 384 O THR A 26 8.147 -10.360 -3.888 1.00 50.00 O ATOM 385 CB THR A 26 6.802 -7.313 -3.308 1.00 50.00 C ATOM 386 OG1 THR A 26 5.753 -6.977 -2.411 1.00 50.00 O ATOM 387 CG2 THR A 26 6.946 -6.214 -4.362 1.00 50.00 C ATOM 0 H THR A 26 4.711 -9.067 -2.875 1.00 50.00 H new ATOM 0 HA THR A 26 6.771 -8.641 -5.045 1.00 50.00 H new ATOM 0 HB THR A 26 7.737 -7.408 -2.755 1.00 50.00 H new ATOM 0 HG1 THR A 26 5.960 -6.127 -1.969 1.00 50.00 H new ATOM 0 HG21 THR A 26 7.177 -5.268 -3.872 1.00 50.00 H new ATOM 0 HG22 THR A 26 7.751 -6.472 -5.049 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.013 -6.117 -4.917 1.00 50.00 H new ATOM 395 N GLY A 27 6.859 -10.139 -2.123 1.00 50.00 N ATOM 396 CA GLY A 27 7.554 -11.251 -1.417 1.00 50.00 C ATOM 397 C GLY A 27 6.517 -12.193 -0.803 1.00 50.00 C ATOM 398 O GLY A 27 5.801 -12.882 -1.502 1.00 50.00 O ATOM 0 H GLY A 27 6.101 -9.700 -1.600 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.190 -11.797 -2.114 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.204 -10.852 -0.639 1.00 50.00 H new ATOM 402 N HIS A 28 6.429 -12.227 0.499 1.00 50.00 N ATOM 403 CA HIS A 28 5.434 -13.124 1.154 1.00 50.00 C ATOM 404 C HIS A 28 4.595 -12.336 2.162 1.00 50.00 C ATOM 405 O HIS A 28 4.951 -12.211 3.318 1.00 50.00 O ATOM 406 CB HIS A 28 6.266 -14.190 1.867 1.00 50.00 C ATOM 407 CG HIS A 28 5.481 -15.471 1.934 1.00 50.00 C ATOM 408 ND1 HIS A 28 5.121 -16.178 0.797 1.00 50.00 N ATOM 409 CD2 HIS A 28 4.975 -16.183 2.994 1.00 50.00 C ATOM 410 CE1 HIS A 28 4.430 -17.262 1.196 1.00 50.00 C ATOM 411 NE2 HIS A 28 4.312 -17.313 2.525 1.00 50.00 N ATOM 0 H HIS A 28 7.002 -11.674 1.136 1.00 50.00 H new ATOM 0 HA HIS A 28 4.740 -13.562 0.437 1.00 50.00 H new ATOM 0 HB2 HIS A 28 7.203 -14.352 1.335 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.523 -13.855 2.872 1.00 50.00 H new ATOM 0 HD2 HIS A 28 5.076 -15.908 4.033 1.00 50.00 H new ATOM 0 HE1 HIS A 28 4.021 -18.001 0.523 1.00 50.00 H new ATOM 0 HE2 HIS A 28 3.838 -18.027 3.078 1.00 50.00 H new ATOM 419 N GLY A 29 3.483 -11.804 1.735 1.00 50.00 N ATOM 420 CA GLY A 29 2.622 -11.025 2.668 1.00 50.00 C ATOM 421 C GLY A 29 2.946 -9.536 2.539 1.00 50.00 C ATOM 422 O GLY A 29 2.841 -8.784 3.487 1.00 50.00 O ATOM 0 H GLY A 29 3.133 -11.875 0.779 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.570 -11.200 2.441 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.786 -11.356 3.693 1.00 50.00 H new ATOM 426 N THR A 30 3.343 -9.104 1.373 1.00 50.00 N ATOM 427 CA THR A 30 3.675 -7.662 1.186 1.00 50.00 C ATOM 428 C THR A 30 3.099 -7.148 -0.138 1.00 50.00 C ATOM 429 O THR A 30 3.554 -7.510 -1.204 1.00 50.00 O ATOM 430 CB THR A 30 5.203 -7.610 1.157 1.00 50.00 C ATOM 431 OG1 THR A 30 5.712 -8.895 0.829 1.00 50.00 O ATOM 432 CG2 THR A 30 5.730 -7.186 2.529 1.00 50.00 C ATOM 0 H THR A 30 3.452 -9.686 0.543 1.00 50.00 H new ATOM 0 HA THR A 30 3.257 -7.039 1.976 1.00 50.00 H new ATOM 0 HB THR A 30 5.527 -6.887 0.408 1.00 50.00 H new ATOM 0 HG1 THR A 30 6.691 -8.863 0.808 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.819 -7.150 2.505 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.340 -6.200 2.780 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.407 -7.906 3.281 1.00 50.00 H new ATOM 440 N VAL A 31 2.104 -6.305 -0.077 1.00 50.00 N ATOM 441 CA VAL A 31 1.507 -5.768 -1.327 1.00 50.00 C ATOM 442 C VAL A 31 2.125 -4.408 -1.662 1.00 50.00 C ATOM 443 O VAL A 31 2.518 -3.664 -0.785 1.00 50.00 O ATOM 444 CB VAL A 31 0.015 -5.626 -1.029 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.721 -5.183 -2.294 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.541 -6.973 -0.564 1.00 50.00 C ATOM 0 H VAL A 31 1.680 -5.966 0.787 1.00 50.00 H new ATOM 0 HA VAL A 31 1.686 -6.418 -2.184 1.00 50.00 H new ATOM 0 HB VAL A 31 -0.128 -4.881 -0.246 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.785 -5.082 -2.080 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.326 -4.224 -2.628 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.578 -5.927 -3.078 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.605 -6.873 -0.351 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.396 -7.717 -1.348 1.00 50.00 H new ATOM 0 HG23 VAL A 31 -0.019 -7.290 0.338 1.00 50.00 H new ATOM 456 N VAL A 32 2.221 -4.077 -2.920 1.00 50.00 N ATOM 457 CA VAL A 32 2.820 -2.766 -3.301 1.00 50.00 C ATOM 458 C VAL A 32 1.845 -1.959 -4.163 1.00 50.00 C ATOM 459 O VAL A 32 1.063 -2.505 -4.915 1.00 50.00 O ATOM 460 CB VAL A 32 4.079 -3.114 -4.101 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.312 -2.951 -3.209 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.003 -4.561 -4.600 1.00 50.00 C ATOM 0 H VAL A 32 1.911 -4.656 -3.700 1.00 50.00 H new ATOM 0 HA VAL A 32 3.048 -2.156 -2.427 1.00 50.00 H new ATOM 0 HB VAL A 32 4.151 -2.443 -4.957 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.208 -3.199 -3.778 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.376 -1.920 -2.862 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.231 -3.618 -2.351 1.00 50.00 H new ATOM 0 HG21 VAL A 32 4.903 -4.798 -5.167 1.00 50.00 H new ATOM 0 HG22 VAL A 32 3.923 -5.236 -3.748 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.129 -4.680 -5.240 1.00 50.00 H new ATOM 472 N ILE A 33 1.894 -0.659 -4.059 1.00 50.00 N ATOM 473 CA ILE A 33 0.979 0.198 -4.869 1.00 50.00 C ATOM 474 C ILE A 33 1.677 1.511 -5.221 1.00 50.00 C ATOM 475 O ILE A 33 2.413 2.067 -4.429 1.00 50.00 O ATOM 476 CB ILE A 33 -0.228 0.457 -3.968 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.217 1.370 -4.697 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.233 1.134 -2.677 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.446 0.562 -5.116 1.00 50.00 C ATOM 0 H ILE A 33 2.531 -0.151 -3.446 1.00 50.00 H new ATOM 0 HA ILE A 33 0.688 -0.275 -5.807 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.712 -0.489 -3.727 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.514 2.193 -4.048 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.743 1.811 -5.574 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.628 1.318 -2.035 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.940 0.486 -2.159 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.717 2.081 -2.916 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.150 1.213 -5.635 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.141 -0.246 -5.781 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.925 0.142 -4.231 1.00 50.00 H new ATOM 491 N GLU A 34 1.457 2.011 -6.403 1.00 50.00 N ATOM 492 CA GLU A 34 2.115 3.286 -6.804 1.00 50.00 C ATOM 493 C GLU A 34 1.083 4.414 -6.885 1.00 50.00 C ATOM 494 O GLU A 34 0.342 4.523 -7.842 1.00 50.00 O ATOM 495 CB GLU A 34 2.713 3.005 -8.182 1.00 50.00 C ATOM 496 CG GLU A 34 4.126 3.587 -8.251 1.00 50.00 C ATOM 497 CD GLU A 34 5.112 2.490 -8.658 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.725 1.333 -8.633 1.00 50.00 O ATOM 499 OE2 GLU A 34 6.237 2.826 -8.987 1.00 50.00 O ATOM 0 H GLU A 34 0.851 1.593 -7.109 1.00 50.00 H new ATOM 0 HA GLU A 34 2.873 3.603 -6.087 1.00 50.00 H new ATOM 0 HB2 GLU A 34 2.741 1.931 -8.366 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.088 3.446 -8.959 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.159 4.405 -8.971 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.407 4.002 -7.283 1.00 50.00 H new ATOM 506 N LEU A 35 1.036 5.258 -5.891 1.00 50.00 N ATOM 507 CA LEU A 35 0.058 6.385 -5.918 1.00 50.00 C ATOM 508 C LEU A 35 0.809 7.712 -5.836 1.00 50.00 C ATOM 509 O LEU A 35 1.738 7.856 -5.074 1.00 50.00 O ATOM 510 CB LEU A 35 -0.825 6.195 -4.683 1.00 50.00 C ATOM 511 CG LEU A 35 -1.085 4.708 -4.458 1.00 50.00 C ATOM 512 CD1 LEU A 35 0.089 4.104 -3.691 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.369 4.532 -3.644 1.00 50.00 C ATOM 0 H LEU A 35 1.630 5.217 -5.063 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.535 6.396 -6.832 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.339 6.625 -3.807 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.769 6.723 -4.815 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.194 4.205 -5.419 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.091 3.042 -3.527 1.00 50.00 H new ATOM 0 HD12 LEU A 35 1.005 4.232 -4.268 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.193 4.607 -2.729 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.555 3.470 -3.483 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.261 5.031 -2.681 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.207 4.969 -4.187 1.00 50.00 H new ATOM 525 N SER A 36 0.416 8.684 -6.608 1.00 50.00 N ATOM 526 CA SER A 36 1.119 9.988 -6.568 1.00 50.00 C ATOM 527 C SER A 36 0.451 10.911 -5.557 1.00 50.00 C ATOM 528 O SER A 36 -0.757 11.052 -5.539 1.00 50.00 O ATOM 529 CB SER A 36 0.985 10.553 -7.980 1.00 50.00 C ATOM 530 OG SER A 36 0.766 9.487 -8.895 1.00 50.00 O ATOM 0 H SER A 36 -0.363 8.629 -7.265 1.00 50.00 H new ATOM 0 HA SER A 36 2.162 9.888 -6.268 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.157 11.261 -8.024 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.887 11.101 -8.252 1.00 50.00 H new ATOM 0 HG SER A 36 0.520 9.853 -9.770 1.00 50.00 H new ATOM 536 N TYR A 37 1.215 11.546 -4.712 1.00 50.00 N ATOM 537 CA TYR A 37 0.586 12.455 -3.721 1.00 50.00 C ATOM 538 C TYR A 37 0.622 13.895 -4.243 1.00 50.00 C ATOM 539 O TYR A 37 1.600 14.598 -4.089 1.00 50.00 O ATOM 540 CB TYR A 37 1.426 12.315 -2.450 1.00 50.00 C ATOM 541 CG TYR A 37 1.107 13.453 -1.507 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.154 13.530 -0.905 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.073 14.429 -1.236 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.450 14.583 -0.031 1.00 50.00 C ATOM 545 CE2 TYR A 37 1.777 15.483 -0.362 1.00 50.00 C ATOM 546 CZ TYR A 37 0.516 15.560 0.240 1.00 50.00 C ATOM 547 OH TYR A 37 0.224 16.597 1.102 1.00 49.57 O ATOM 0 H TYR A 37 2.232 11.475 -4.666 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.459 12.207 -3.535 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.219 11.360 -1.968 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.487 12.322 -2.700 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.899 12.777 -1.115 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.046 14.370 -1.701 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.423 14.642 0.434 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.522 16.236 -0.153 1.00 50.00 H new ATOM 0 HH TYR A 37 1.048 17.076 1.328 1.00 49.57 H new ATOM 557 N SER A 38 -0.439 14.335 -4.860 1.00 50.00 N ATOM 558 CA SER A 38 -0.474 15.719 -5.395 1.00 50.00 C ATOM 559 C SER A 38 -1.169 16.640 -4.396 1.00 50.00 C ATOM 560 O SER A 38 -2.266 17.109 -4.626 1.00 50.00 O ATOM 561 CB SER A 38 -1.275 15.626 -6.692 1.00 50.00 C ATOM 562 OG SER A 38 -2.152 14.508 -6.625 1.00 50.00 O ATOM 0 H SER A 38 -1.287 13.790 -5.016 1.00 50.00 H new ATOM 0 HA SER A 38 0.523 16.125 -5.568 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.846 16.542 -6.847 1.00 50.00 H new ATOM 0 HB3 SER A 38 -0.601 15.523 -7.542 1.00 50.00 H new ATOM 0 HG SER A 38 -2.668 14.447 -7.456 1.00 50.00 H new ATOM 568 N GLY A 39 -0.543 16.895 -3.285 1.00 99.99 N ATOM 569 CA GLY A 39 -1.171 17.778 -2.268 1.00 99.99 C ATOM 570 C GLY A 39 -0.413 19.103 -2.198 1.00 99.99 C ATOM 571 O GLY A 39 0.802 19.136 -2.180 1.00 99.99 O ATOM 0 H GLY A 39 0.377 16.530 -3.037 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.215 17.958 -2.524 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.161 17.290 -1.293 1.00 99.99 H new ATOM 575 N SER A 40 -1.120 20.199 -2.161 1.00 99.99 N ATOM 576 CA SER A 40 -0.442 21.525 -2.094 1.00 99.99 C ATOM 577 C SER A 40 -0.135 21.891 -0.639 1.00 99.99 C ATOM 578 O SER A 40 0.191 23.020 -0.328 1.00 99.99 O ATOM 579 CB SER A 40 -1.442 22.510 -2.697 1.00 99.99 C ATOM 580 OG SER A 40 -2.608 22.552 -1.883 1.00 99.99 O ATOM 0 H SER A 40 -2.139 20.234 -2.174 1.00 99.99 H new ATOM 0 HA SER A 40 0.508 21.531 -2.628 1.00 99.99 H new ATOM 0 HB2 SER A 40 -0.996 23.502 -2.766 1.00 99.99 H new ATOM 0 HB3 SER A 40 -1.703 22.207 -3.711 1.00 99.99 H new ATOM 0 HG SER A 40 -3.252 23.184 -2.266 1.00 99.99 H new ATOM 586 N ASP A 41 -0.236 20.944 0.255 1.00 99.99 N ATOM 587 CA ASP A 41 0.051 21.240 1.689 1.00 99.99 C ATOM 588 C ASP A 41 1.476 20.805 2.042 1.00 99.99 C ATOM 589 O ASP A 41 2.051 21.254 3.014 1.00 99.99 O ATOM 590 CB ASP A 41 -0.969 20.416 2.476 1.00 99.99 C ATOM 591 CG ASP A 41 -1.132 21.006 3.878 1.00 99.99 C ATOM 592 OD1 ASP A 41 -0.130 21.144 4.561 1.00 99.99 O ATOM 593 OD2 ASP A 41 -2.255 21.311 4.244 1.00 99.99 O ATOM 0 H ASP A 41 -0.504 19.980 0.055 1.00 99.99 H new ATOM 0 HA ASP A 41 -0.023 22.304 1.914 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -1.928 20.414 1.958 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.640 19.379 2.543 1.00 99.99 H new ATOM 598 N GLY A 42 2.049 19.932 1.259 1.00 99.99 N ATOM 599 CA GLY A 42 3.436 19.467 1.550 1.00 99.99 C ATOM 600 C GLY A 42 3.385 18.056 2.137 1.00 99.99 C ATOM 601 O GLY A 42 2.371 17.389 2.066 1.00 99.99 O ATOM 0 H GLY A 42 1.618 19.521 0.431 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.032 19.472 0.637 1.00 99.99 H new ATOM 0 HA3 GLY A 42 3.920 20.147 2.251 1.00 99.99 H new ATOM 605 N PRO A 43 4.487 17.646 2.703 1.00 99.99 N ATOM 606 CA PRO A 43 4.571 16.297 3.311 1.00 99.99 C ATOM 607 C PRO A 43 3.784 16.249 4.626 1.00 99.99 C ATOM 608 O PRO A 43 3.797 17.180 5.406 1.00 99.99 O ATOM 609 CB PRO A 43 6.065 16.105 3.555 1.00 99.99 C ATOM 610 CG PRO A 43 6.625 17.488 3.658 1.00 99.99 C ATOM 611 CD PRO A 43 5.746 18.390 2.827 1.00 99.99 C ATOM 0 HA PRO A 43 4.146 15.516 2.681 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.245 15.538 4.468 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.530 15.552 2.739 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.643 17.819 4.696 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.653 17.514 3.297 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.593 19.354 3.311 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.189 18.590 1.851 1.00 99.99 H new ATOM 619 N CYS A 44 3.100 15.166 4.867 1.00 50.00 N ATOM 620 CA CYS A 44 2.304 15.036 6.121 1.00 50.00 C ATOM 621 C CYS A 44 1.867 13.575 6.290 1.00 50.00 C ATOM 622 O CYS A 44 1.897 12.801 5.355 1.00 50.00 O ATOM 623 CB CYS A 44 1.099 15.957 5.924 1.00 50.00 C ATOM 624 SG CYS A 44 0.955 17.090 7.329 1.00 50.00 S ATOM 0 H CYS A 44 3.057 14.359 4.245 1.00 50.00 H new ATOM 0 HA CYS A 44 2.864 15.309 7.015 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.210 16.523 4.999 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.189 15.365 5.828 1.00 50.00 H new ATOM 629 N LYS A 45 1.477 13.184 7.473 1.00 50.00 N ATOM 630 CA LYS A 45 1.061 11.763 7.686 1.00 50.00 C ATOM 631 C LYS A 45 -0.124 11.410 6.782 1.00 50.00 C ATOM 632 O LYS A 45 -1.044 12.188 6.615 1.00 50.00 O ATOM 633 CB LYS A 45 0.658 11.663 9.160 1.00 50.00 C ATOM 634 CG LYS A 45 1.647 12.441 10.036 1.00 50.00 C ATOM 635 CD LYS A 45 3.082 12.190 9.562 1.00 50.00 C ATOM 636 CE LYS A 45 3.986 13.316 10.069 1.00 50.00 C ATOM 637 NZ LYS A 45 4.073 14.279 8.936 1.00 50.00 N ATOM 0 H LYS A 45 1.428 13.781 8.298 1.00 50.00 H new ATOM 0 HA LYS A 45 1.866 11.069 7.442 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.348 12.059 9.297 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.634 10.618 9.467 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.423 13.507 9.992 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.541 12.135 11.077 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.437 11.228 9.933 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.115 12.144 8.473 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.567 13.789 10.958 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.971 12.938 10.343 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 4.635 15.105 9.225 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 4.528 13.818 8.122 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 3.117 14.588 8.669 1.00 50.00 H new ATOM 651 N ILE A 46 -0.105 10.242 6.198 1.00 50.00 N ATOM 652 CA ILE A 46 -1.226 9.836 5.300 1.00 50.00 C ATOM 653 C ILE A 46 -2.284 9.051 6.082 1.00 50.00 C ATOM 654 O ILE A 46 -2.058 7.924 6.472 1.00 50.00 O ATOM 655 CB ILE A 46 -0.583 8.948 4.230 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.825 9.463 3.912 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.436 8.974 2.957 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.328 8.824 2.616 1.00 50.00 C ATOM 0 H ILE A 46 0.638 9.551 6.304 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.731 10.698 4.865 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.520 7.926 4.602 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.812 10.548 3.812 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.503 9.227 4.732 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -0.976 8.341 2.198 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.436 8.603 3.181 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.504 9.996 2.585 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.329 9.193 2.393 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.358 7.741 2.732 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.656 9.083 1.798 1.00 50.00 H new ATOM 670 N PRO A 47 -3.410 9.682 6.277 1.00 50.00 N ATOM 671 CA PRO A 47 -4.525 9.042 7.015 1.00 50.00 C ATOM 672 C PRO A 47 -5.220 8.003 6.128 1.00 50.00 C ATOM 673 O PRO A 47 -6.082 8.328 5.335 1.00 50.00 O ATOM 674 CB PRO A 47 -5.464 10.204 7.321 1.00 50.00 C ATOM 675 CG PRO A 47 -5.177 11.228 6.269 1.00 50.00 C ATOM 676 CD PRO A 47 -3.745 11.040 5.836 1.00 50.00 C ATOM 0 HA PRO A 47 -4.200 8.514 7.912 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.506 9.887 7.288 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.284 10.604 8.319 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.853 11.108 5.422 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.331 12.234 6.660 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.638 11.146 4.756 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.090 11.781 6.295 1.00 50.00 H new ATOM 684 N ILE A 48 -4.851 6.759 6.255 1.00 50.00 N ATOM 685 CA ILE A 48 -5.490 5.703 5.419 1.00 50.00 C ATOM 686 C ILE A 48 -5.902 4.513 6.288 1.00 50.00 C ATOM 687 O ILE A 48 -5.237 4.171 7.246 1.00 50.00 O ATOM 688 CB ILE A 48 -4.411 5.287 4.417 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.331 6.323 3.294 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.761 3.922 3.824 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.907 6.366 2.739 1.00 50.00 C ATOM 0 H ILE A 48 -4.135 6.427 6.901 1.00 50.00 H new ATOM 0 HA ILE A 48 -6.393 6.060 4.924 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.449 5.226 4.926 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -5.034 6.070 2.501 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.616 7.306 3.670 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.992 3.627 3.111 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.818 3.182 4.622 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.723 3.982 3.316 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.850 7.104 1.939 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.214 6.640 3.535 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -2.640 5.385 2.347 1.00 50.00 H new ATOM 703 N VAL A 49 -6.990 3.876 5.956 1.00 50.00 N ATOM 704 CA VAL A 49 -7.441 2.702 6.756 1.00 50.00 C ATOM 705 C VAL A 49 -7.404 1.439 5.894 1.00 50.00 C ATOM 706 O VAL A 49 -7.905 1.417 4.787 1.00 50.00 O ATOM 707 CB VAL A 49 -8.877 3.029 7.169 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.934 4.443 7.747 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.791 2.941 5.945 1.00 50.00 C ATOM 0 H VAL A 49 -7.587 4.117 5.165 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.803 2.519 7.621 1.00 50.00 H new ATOM 0 HB VAL A 49 -9.209 2.316 7.924 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.958 4.675 8.041 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -8.283 4.506 8.619 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -8.602 5.158 6.994 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.815 3.174 6.238 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -9.458 3.654 5.191 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.752 1.932 5.533 1.00 50.00 H new ATOM 719 N SER A 50 -6.816 0.386 6.390 1.00 50.00 N ATOM 720 CA SER A 50 -6.752 -0.872 5.596 1.00 50.00 C ATOM 721 C SER A 50 -7.564 -1.963 6.289 1.00 50.00 C ATOM 722 O SER A 50 -7.122 -2.565 7.248 1.00 50.00 O ATOM 723 CB SER A 50 -5.270 -1.245 5.556 1.00 50.00 C ATOM 724 OG SER A 50 -4.606 -0.425 4.603 1.00 50.00 O ATOM 0 H SER A 50 -6.378 0.342 7.310 1.00 50.00 H new ATOM 0 HA SER A 50 -7.163 -0.753 4.594 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.823 -1.113 6.541 1.00 50.00 H new ATOM 0 HB3 SER A 50 -5.154 -2.296 5.292 1.00 50.00 H new ATOM 0 HG SER A 50 -3.655 -0.660 4.576 1.00 50.00 H new ATOM 730 N VAL A 51 -8.752 -2.219 5.818 1.00 50.00 N ATOM 731 CA VAL A 51 -9.593 -3.269 6.455 1.00 50.00 C ATOM 732 C VAL A 51 -10.154 -4.213 5.393 1.00 50.00 C ATOM 733 O VAL A 51 -10.228 -3.883 4.227 1.00 50.00 O ATOM 734 CB VAL A 51 -10.727 -2.507 7.142 1.00 50.00 C ATOM 735 CG1 VAL A 51 -10.145 -1.560 8.192 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.500 -1.697 6.099 1.00 50.00 C ATOM 0 H VAL A 51 -9.177 -1.747 5.020 1.00 50.00 H new ATOM 0 HA VAL A 51 -9.026 -3.880 7.158 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.399 -3.216 7.626 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.954 -1.017 8.681 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.593 -2.136 8.935 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.472 -0.851 7.709 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.309 -1.153 6.587 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.827 -0.989 5.616 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.916 -2.371 5.350 1.00 50.00 H new ATOM 746 N ALA A 52 -10.556 -5.385 5.792 1.00 50.00 N ATOM 747 CA ALA A 52 -11.121 -6.355 4.813 1.00 50.00 C ATOM 748 C ALA A 52 -12.303 -5.721 4.074 1.00 50.00 C ATOM 749 O ALA A 52 -12.837 -4.712 4.489 1.00 50.00 O ATOM 750 CB ALA A 52 -11.587 -7.543 5.656 1.00 50.00 C ATOM 0 H ALA A 52 -10.518 -5.715 6.756 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.395 -6.655 4.057 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -12.017 -8.304 5.005 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.737 -7.963 6.194 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.339 -7.209 6.371 1.00 50.00 H new ATOM 756 N SER A 53 -12.708 -6.296 2.975 1.00 50.00 N ATOM 757 CA SER A 53 -13.850 -5.718 2.210 1.00 50.00 C ATOM 758 C SER A 53 -15.131 -5.761 3.046 1.00 50.00 C ATOM 759 O SER A 53 -15.560 -6.810 3.486 1.00 50.00 O ATOM 760 CB SER A 53 -13.987 -6.604 0.974 1.00 50.00 C ATOM 761 OG SER A 53 -14.982 -6.061 0.116 1.00 50.00 O ATOM 0 H SER A 53 -12.299 -7.140 2.574 1.00 50.00 H new ATOM 0 HA SER A 53 -13.681 -4.674 1.948 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.033 -6.667 0.450 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.257 -7.618 1.267 1.00 50.00 H new ATOM 0 HG SER A 53 -15.061 -5.097 0.275 1.00 50.00 H new ATOM 767 N LEU A 54 -15.743 -4.626 3.266 1.00 50.00 N ATOM 768 CA LEU A 54 -17.003 -4.601 4.072 1.00 50.00 C ATOM 769 C LEU A 54 -16.687 -4.691 5.568 1.00 50.00 C ATOM 770 O LEU A 54 -17.466 -5.200 6.348 1.00 50.00 O ATOM 771 CB LEU A 54 -17.812 -5.820 3.618 1.00 50.00 C ATOM 772 CG LEU A 54 -19.269 -5.412 3.397 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.821 -6.136 2.168 1.00 50.00 C ATOM 774 CD2 LEU A 54 -20.099 -5.794 4.625 1.00 50.00 C ATOM 0 H LEU A 54 -15.427 -3.718 2.924 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.557 -3.674 3.921 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.393 -6.225 2.697 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.754 -6.608 4.368 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.323 -4.335 3.241 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.860 -5.845 2.010 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -19.232 -5.866 1.292 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.766 -7.213 2.325 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -21.138 -5.503 4.467 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -20.044 -6.871 4.781 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -19.708 -5.280 5.503 1.00 50.00 H new ATOM 786 N ASN A 55 -15.554 -4.184 5.976 1.00 50.00 N ATOM 787 CA ASN A 55 -15.199 -4.225 7.423 1.00 50.00 C ATOM 788 C ASN A 55 -14.619 -2.876 7.861 1.00 50.00 C ATOM 789 O ASN A 55 -13.419 -2.685 7.890 1.00 50.00 O ATOM 790 CB ASN A 55 -14.145 -5.326 7.543 1.00 50.00 C ATOM 791 CG ASN A 55 -14.777 -6.678 7.204 1.00 50.00 C ATOM 792 OD1 ASN A 55 -15.326 -7.338 8.065 1.00 50.00 O ATOM 793 ND2 ASN A 55 -14.722 -7.121 5.978 1.00 50.00 N ATOM 0 H ASN A 55 -14.861 -3.744 5.371 1.00 50.00 H new ATOM 0 HA ASN A 55 -16.065 -4.421 8.056 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.313 -5.122 6.869 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.738 -5.346 8.554 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.140 -8.021 5.742 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.261 -6.567 5.256 1.00 50.00 H new ATOM 800 N ASP A 56 -15.462 -1.940 8.203 1.00 50.00 N ATOM 801 CA ASP A 56 -14.959 -0.605 8.638 1.00 50.00 C ATOM 802 C ASP A 56 -15.100 -0.456 10.155 1.00 50.00 C ATOM 803 O ASP A 56 -14.893 0.606 10.707 1.00 50.00 O ATOM 804 CB ASP A 56 -15.847 0.410 7.917 1.00 50.00 C ATOM 805 CG ASP A 56 -15.461 0.468 6.437 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.364 0.044 6.115 1.00 50.00 O ATOM 807 OD2 ASP A 56 -16.270 0.936 5.653 1.00 50.00 O ATOM 0 H ASP A 56 -16.477 -2.042 8.200 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.905 -0.465 8.400 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.895 0.129 8.019 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -15.735 1.394 8.372 1.00 50.00 H new ATOM 812 N MET A 57 -15.447 -1.514 10.834 1.00 50.00 N ATOM 813 CA MET A 57 -15.597 -1.435 12.314 1.00 50.00 C ATOM 814 C MET A 57 -14.390 -2.080 12.995 1.00 50.00 C ATOM 815 O MET A 57 -14.120 -1.852 14.157 1.00 50.00 O ATOM 816 CB MET A 57 -16.874 -2.217 12.628 1.00 50.00 C ATOM 817 CG MET A 57 -17.393 -1.818 14.011 1.00 50.00 C ATOM 818 SD MET A 57 -18.306 -3.205 14.732 1.00 50.00 S ATOM 819 CE MET A 57 -18.033 -2.779 16.470 1.00 50.00 C ATOM 0 H MET A 57 -15.633 -2.431 10.427 1.00 50.00 H new ATOM 0 HA MET A 57 -15.655 -0.407 12.671 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.632 -2.014 11.871 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.673 -3.288 12.599 1.00 50.00 H new ATOM 0 HG2 MET A 57 -16.561 -1.540 14.658 1.00 50.00 H new ATOM 0 HG3 MET A 57 -18.040 -0.944 13.931 1.00 50.00 H new ATOM 0 HE1 MET A 57 -18.520 -3.518 17.107 1.00 50.00 H new ATOM 0 HE2 MET A 57 -16.963 -2.769 16.679 1.00 50.00 H new ATOM 0 HE3 MET A 57 -18.451 -1.793 16.673 1.00 50.00 H new ATOM 829 N THR A 58 -13.661 -2.882 12.271 1.00 50.00 N ATOM 830 CA THR A 58 -12.464 -3.547 12.860 1.00 50.00 C ATOM 831 C THR A 58 -11.292 -3.477 11.877 1.00 50.00 C ATOM 832 O THR A 58 -11.428 -3.841 10.725 1.00 50.00 O ATOM 833 CB THR A 58 -12.889 -4.998 13.086 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.270 -5.038 13.417 1.00 50.00 O ATOM 835 CG2 THR A 58 -12.071 -5.599 14.229 1.00 50.00 C ATOM 0 H THR A 58 -13.843 -3.107 11.293 1.00 50.00 H new ATOM 0 HA THR A 58 -12.136 -3.072 13.784 1.00 50.00 H new ATOM 0 HB THR A 58 -12.716 -5.574 12.177 1.00 50.00 H new ATOM 0 HG1 THR A 58 -14.545 -5.968 13.561 1.00 50.00 H new ATOM 0 HG21 THR A 58 -12.375 -6.633 14.389 1.00 50.00 H new ATOM 0 HG22 THR A 58 -11.012 -5.567 13.974 1.00 50.00 H new ATOM 0 HG23 THR A 58 -12.242 -5.025 15.140 1.00 50.00 H new ATOM 843 N PRO A 59 -10.177 -3.010 12.366 1.00 50.00 N ATOM 844 CA PRO A 59 -8.968 -2.889 11.516 1.00 50.00 C ATOM 845 C PRO A 59 -8.392 -4.274 11.207 1.00 50.00 C ATOM 846 O PRO A 59 -8.225 -5.098 12.084 1.00 50.00 O ATOM 847 CB PRO A 59 -8.006 -2.074 12.376 1.00 50.00 C ATOM 848 CG PRO A 59 -8.450 -2.311 13.784 1.00 50.00 C ATOM 849 CD PRO A 59 -9.935 -2.556 13.739 1.00 50.00 C ATOM 0 HA PRO A 59 -9.165 -2.422 10.551 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.975 -2.395 12.228 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.049 -1.015 12.121 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -7.930 -3.167 14.214 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.219 -1.450 14.412 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.238 -3.308 14.468 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.496 -1.649 13.965 1.00 50.00 H new ATOM 857 N VAL A 60 -8.086 -4.533 9.965 1.00 50.00 N ATOM 858 CA VAL A 60 -7.518 -5.863 9.598 1.00 50.00 C ATOM 859 C VAL A 60 -6.335 -5.676 8.654 1.00 50.00 C ATOM 860 O VAL A 60 -5.300 -6.296 8.798 1.00 50.00 O ATOM 861 CB VAL A 60 -8.658 -6.602 8.897 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.284 -8.076 8.733 1.00 50.00 C ATOM 863 CG2 VAL A 60 -9.929 -6.488 9.740 1.00 50.00 C ATOM 0 H VAL A 60 -8.204 -3.882 9.189 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.153 -6.415 10.464 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.831 -6.161 7.915 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.096 -8.604 8.233 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.376 -8.157 8.135 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.113 -8.519 9.714 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -10.744 -7.014 9.243 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.756 -6.931 10.721 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.194 -5.437 9.858 1.00 50.00 H new ATOM 873 N GLY A 61 -6.484 -4.811 7.698 1.00 50.00 N ATOM 874 CA GLY A 61 -5.376 -4.551 6.740 1.00 50.00 C ATOM 875 C GLY A 61 -4.274 -3.776 7.464 1.00 50.00 C ATOM 876 O GLY A 61 -4.540 -3.023 8.380 1.00 50.00 O ATOM 0 H GLY A 61 -7.331 -4.267 7.535 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.984 -5.491 6.351 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.741 -3.980 5.886 1.00 50.00 H new ATOM 880 N ARG A 62 -3.039 -3.954 7.081 1.00 50.00 N ATOM 881 CA ARG A 62 -1.941 -3.223 7.783 1.00 50.00 C ATOM 882 C ARG A 62 -0.875 -2.756 6.791 1.00 50.00 C ATOM 883 O ARG A 62 -0.732 -3.300 5.718 1.00 50.00 O ATOM 884 CB ARG A 62 -1.350 -4.241 8.759 1.00 50.00 C ATOM 885 CG ARG A 62 -2.466 -4.824 9.629 1.00 50.00 C ATOM 886 CD ARG A 62 -1.967 -4.976 11.068 1.00 50.00 C ATOM 887 NE ARG A 62 -2.061 -3.610 11.653 1.00 50.00 N ATOM 888 CZ ARG A 62 -3.095 -3.279 12.377 1.00 50.00 C ATOM 889 NH1 ARG A 62 -4.297 -3.608 11.987 1.00 50.00 N ATOM 890 NH2 ARG A 62 -2.928 -2.618 13.490 1.00 50.00 N ATOM 0 H ARG A 62 -2.743 -4.567 6.321 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.308 -2.329 8.288 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.849 -5.038 8.210 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.597 -3.764 9.387 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.339 -4.173 9.603 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.779 -5.792 9.237 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -2.578 -5.687 11.625 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -0.942 -5.347 11.094 1.00 50.00 H new ATOM 0 HE ARG A 62 -1.317 -2.932 11.488 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -4.428 -4.124 11.117 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -5.105 -3.349 12.553 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -1.989 -2.360 13.794 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -3.736 -2.359 14.056 1.00 50.00 H new ATOM 904 N LEU A 63 -0.124 -1.750 7.144 1.00 50.00 N ATOM 905 CA LEU A 63 0.939 -1.253 6.224 1.00 50.00 C ATOM 906 C LEU A 63 2.277 -1.914 6.570 1.00 50.00 C ATOM 907 O LEU A 63 2.695 -1.928 7.711 1.00 50.00 O ATOM 908 CB LEU A 63 1.005 0.254 6.470 1.00 50.00 C ATOM 909 CG LEU A 63 -0.201 0.932 5.818 1.00 50.00 C ATOM 910 CD1 LEU A 63 -1.416 0.812 6.738 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.114 2.411 5.580 1.00 50.00 C ATOM 0 H LEU A 63 -0.200 -1.250 8.030 1.00 50.00 H new ATOM 0 HA LEU A 63 0.727 -1.483 5.180 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.015 0.458 7.541 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.930 0.660 6.059 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.419 0.447 4.866 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -2.274 1.296 6.272 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.641 -0.241 6.908 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -1.200 1.296 7.691 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.745 2.896 5.115 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.332 2.894 6.532 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.979 2.498 4.923 1.00 50.00 H new ATOM 923 N VAL A 64 2.950 -2.463 5.596 1.00 50.00 N ATOM 924 CA VAL A 64 4.258 -3.124 5.877 1.00 50.00 C ATOM 925 C VAL A 64 5.369 -2.077 5.993 1.00 50.00 C ATOM 926 O VAL A 64 6.536 -2.404 6.089 1.00 50.00 O ATOM 927 CB VAL A 64 4.507 -4.037 4.677 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.785 -4.845 4.907 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.326 -4.995 4.512 1.00 50.00 C ATOM 0 H VAL A 64 2.653 -2.483 4.620 1.00 50.00 H new ATOM 0 HA VAL A 64 4.245 -3.678 6.816 1.00 50.00 H new ATOM 0 HB VAL A 64 4.615 -3.431 3.777 1.00 50.00 H new ATOM 0 HG11 VAL A 64 5.963 -5.496 4.051 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.629 -4.165 5.027 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.676 -5.450 5.807 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.503 -5.647 3.656 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.219 -5.600 5.413 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.413 -4.422 4.349 1.00 50.00 H new ATOM 939 N THR A 65 5.019 -0.820 5.985 1.00 50.00 N ATOM 940 CA THR A 65 6.057 0.244 6.095 1.00 50.00 C ATOM 941 C THR A 65 5.872 1.031 7.394 1.00 50.00 C ATOM 942 O THR A 65 4.858 0.929 8.055 1.00 50.00 O ATOM 943 CB THR A 65 5.828 1.149 4.883 1.00 50.00 C ATOM 944 OG1 THR A 65 4.512 1.682 4.936 1.00 50.00 O ATOM 945 CG2 THR A 65 6.000 0.338 3.597 1.00 50.00 C ATOM 0 H THR A 65 4.059 -0.484 5.907 1.00 50.00 H new ATOM 0 HA THR A 65 7.067 -0.166 6.113 1.00 50.00 H new ATOM 0 HB THR A 65 6.552 1.963 4.895 1.00 50.00 H new ATOM 0 HG1 THR A 65 4.363 2.264 4.161 1.00 50.00 H new ATOM 0 HG21 THR A 65 5.836 0.984 2.735 1.00 50.00 H new ATOM 0 HG22 THR A 65 7.009 -0.072 3.557 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.277 -0.477 3.582 1.00 50.00 H new ATOM 953 N VAL A 66 6.845 1.820 7.764 1.00 50.00 N ATOM 954 CA VAL A 66 6.727 2.616 9.013 1.00 50.00 C ATOM 955 C VAL A 66 5.425 3.422 9.002 1.00 50.00 C ATOM 956 O VAL A 66 4.577 3.235 8.153 1.00 50.00 O ATOM 957 CB VAL A 66 7.938 3.546 8.988 1.00 50.00 C ATOM 958 CG1 VAL A 66 9.216 2.729 9.189 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.001 4.263 7.639 1.00 50.00 C ATOM 0 H VAL A 66 7.718 1.946 7.251 1.00 50.00 H new ATOM 0 HA VAL A 66 6.704 1.995 9.908 1.00 50.00 H new ATOM 0 HB VAL A 66 7.847 4.280 9.788 1.00 50.00 H new ATOM 0 HG11 VAL A 66 10.080 3.394 9.171 1.00 50.00 H new ATOM 0 HG12 VAL A 66 9.173 2.216 10.150 1.00 50.00 H new ATOM 0 HG13 VAL A 66 9.307 1.994 8.389 1.00 50.00 H new ATOM 0 HG21 VAL A 66 8.865 4.927 7.620 1.00 50.00 H new ATOM 0 HG22 VAL A 66 8.091 3.527 6.840 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.092 4.846 7.494 1.00 50.00 H new ATOM 969 N ASN A 67 5.258 4.318 9.937 1.00 50.00 N ATOM 970 CA ASN A 67 4.007 5.128 9.972 1.00 50.00 C ATOM 971 C ASN A 67 3.684 5.655 8.572 1.00 50.00 C ATOM 972 O ASN A 67 4.572 5.885 7.774 1.00 50.00 O ATOM 973 CB ASN A 67 4.311 6.284 10.926 1.00 50.00 C ATOM 974 CG ASN A 67 5.449 7.132 10.355 1.00 50.00 C ATOM 975 OD1 ASN A 67 5.211 8.086 9.640 1.00 50.00 O ATOM 976 ND2 ASN A 67 6.684 6.825 10.642 1.00 50.00 N ATOM 0 H ASN A 67 5.931 4.523 10.675 1.00 50.00 H new ATOM 0 HA ASN A 67 3.145 4.547 10.300 1.00 50.00 H new ATOM 0 HB2 ASN A 67 3.421 6.898 11.066 1.00 50.00 H new ATOM 0 HB3 ASN A 67 4.588 5.897 11.906 1.00 50.00 H new ATOM 0 HD21 ASN A 67 7.449 7.385 10.267 1.00 50.00 H new ATOM 0 HD22 ASN A 67 6.884 6.025 11.242 1.00 50.00 H new ATOM 983 N PRO A 68 2.415 5.823 8.320 1.00 50.00 N ATOM 984 CA PRO A 68 1.958 6.323 6.999 1.00 50.00 C ATOM 985 C PRO A 68 2.287 7.810 6.840 1.00 50.00 C ATOM 986 O PRO A 68 1.507 8.670 7.199 1.00 50.00 O ATOM 987 CB PRO A 68 0.449 6.098 7.035 1.00 50.00 C ATOM 988 CG PRO A 68 0.093 6.088 8.488 1.00 50.00 C ATOM 989 CD PRO A 68 1.295 5.569 9.233 1.00 50.00 C ATOM 0 HA PRO A 68 2.440 5.819 6.161 1.00 50.00 H new ATOM 0 HB2 PRO A 68 -0.081 6.889 6.504 1.00 50.00 H new ATOM 0 HB3 PRO A 68 0.179 5.157 6.556 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.168 7.090 8.828 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.775 5.454 8.668 1.00 50.00 H new ATOM 0 HD2 PRO A 68 1.429 6.086 10.183 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.197 4.507 9.459 1.00 50.00 H new ATOM 997 N PHE A 69 3.434 8.117 6.299 1.00 50.00 N ATOM 998 CA PHE A 69 3.811 9.547 6.109 1.00 50.00 C ATOM 999 C PHE A 69 4.821 9.673 4.965 1.00 50.00 C ATOM 1000 O PHE A 69 5.884 9.086 4.996 1.00 50.00 O ATOM 1001 CB PHE A 69 4.443 9.967 7.438 1.00 50.00 C ATOM 1002 CG PHE A 69 5.041 11.349 7.309 1.00 50.00 C ATOM 1003 CD1 PHE A 69 4.653 12.190 6.257 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.986 11.789 8.244 1.00 50.00 C ATOM 1005 CE1 PHE A 69 5.208 13.470 6.144 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.541 13.069 8.131 1.00 50.00 C ATOM 1007 CZ PHE A 69 6.152 13.910 7.081 1.00 50.00 C ATOM 0 H PHE A 69 4.127 7.440 5.980 1.00 50.00 H new ATOM 0 HA PHE A 69 2.958 10.174 5.850 1.00 50.00 H new ATOM 0 HB2 PHE A 69 3.691 9.959 8.227 1.00 50.00 H new ATOM 0 HB3 PHE A 69 5.215 9.253 7.726 1.00 50.00 H new ATOM 0 HD1 PHE A 69 3.926 11.851 5.534 1.00 50.00 H new ATOM 0 HD2 PHE A 69 6.287 11.140 9.053 1.00 50.00 H new ATOM 0 HE1 PHE A 69 4.908 14.119 5.334 1.00 50.00 H new ATOM 0 HE2 PHE A 69 7.269 13.408 8.853 1.00 50.00 H new ATOM 0 HZ PHE A 69 6.580 14.898 6.994 1.00 50.00 H new ATOM 1017 N VAL A 70 4.496 10.431 3.955 1.00 50.00 N ATOM 1018 CA VAL A 70 5.437 10.590 2.809 1.00 50.00 C ATOM 1019 C VAL A 70 6.283 11.853 2.992 1.00 50.00 C ATOM 1020 O VAL A 70 6.246 12.760 2.184 1.00 50.00 O ATOM 1021 CB VAL A 70 4.539 10.708 1.577 1.00 50.00 C ATOM 1022 CG1 VAL A 70 3.886 12.091 1.545 1.00 50.00 C ATOM 1023 CG2 VAL A 70 5.379 10.512 0.312 1.00 50.00 C ATOM 0 H VAL A 70 3.620 10.947 3.873 1.00 50.00 H new ATOM 0 HA VAL A 70 6.134 9.757 2.723 1.00 50.00 H new ATOM 0 HB VAL A 70 3.763 9.943 1.622 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.247 12.171 0.666 1.00 50.00 H new ATOM 0 HG12 VAL A 70 3.286 12.231 2.444 1.00 50.00 H new ATOM 0 HG13 VAL A 70 4.660 12.858 1.503 1.00 50.00 H new ATOM 0 HG21 VAL A 70 4.739 10.596 -0.566 1.00 50.00 H new ATOM 0 HG22 VAL A 70 6.156 11.275 0.269 1.00 50.00 H new ATOM 0 HG23 VAL A 70 5.841 9.525 0.331 1.00 50.00 H new ATOM 1033 N ALA A 71 7.047 11.918 4.047 1.00 50.00 N ATOM 1034 CA ALA A 71 7.897 13.122 4.281 1.00 50.00 C ATOM 1035 C ALA A 71 9.088 13.124 3.320 1.00 50.00 C ATOM 1036 O ALA A 71 10.178 12.717 3.667 1.00 50.00 O ATOM 1037 CB ALA A 71 8.380 12.991 5.724 1.00 50.00 C ATOM 0 H ALA A 71 7.120 11.190 4.758 1.00 50.00 H new ATOM 0 HA ALA A 71 7.350 14.050 4.114 1.00 50.00 H new ATOM 0 HB1 ALA A 71 9.014 13.842 5.974 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.521 12.969 6.395 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.950 12.069 5.834 1.00 50.00 H new ATOM 1043 N THR A 72 8.889 13.580 2.115 1.00 50.00 N ATOM 1044 CA THR A 72 10.014 13.607 1.135 1.00 50.00 C ATOM 1045 C THR A 72 9.933 14.864 0.266 1.00 50.00 C ATOM 1046 O THR A 72 8.863 15.366 -0.017 1.00 50.00 O ATOM 1047 CB THR A 72 9.831 12.352 0.282 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.175 11.351 1.048 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.198 11.838 -0.170 1.00 50.00 C ATOM 0 H THR A 72 7.999 13.935 1.765 1.00 50.00 H new ATOM 0 HA THR A 72 10.986 13.626 1.627 1.00 50.00 H new ATOM 0 HB THR A 72 9.228 12.592 -0.594 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.056 10.546 0.501 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.067 10.943 -0.778 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.699 12.607 -0.758 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.803 11.597 0.704 1.00 50.00 H new ATOM 1057 N SER A 73 11.054 15.372 -0.166 1.00 50.00 N ATOM 1058 CA SER A 73 11.036 16.592 -1.023 1.00 50.00 C ATOM 1059 C SER A 73 10.429 16.260 -2.388 1.00 50.00 C ATOM 1060 O SER A 73 10.057 17.135 -3.144 1.00 50.00 O ATOM 1061 CB SER A 73 12.503 16.993 -1.173 1.00 50.00 C ATOM 1062 OG SER A 73 12.597 18.103 -2.057 1.00 50.00 O ATOM 0 H SER A 73 11.980 14.996 0.037 1.00 50.00 H new ATOM 0 HA SER A 73 10.438 17.395 -0.591 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.923 17.251 -0.201 1.00 50.00 H new ATOM 0 HB3 SER A 73 13.084 16.155 -1.559 1.00 50.00 H new ATOM 0 HG SER A 73 13.536 18.365 -2.155 1.00 50.00 H new ATOM 1068 N SER A 74 10.328 14.997 -2.709 1.00 99.99 N ATOM 1069 CA SER A 74 9.749 14.605 -4.026 1.00 99.99 C ATOM 1070 C SER A 74 8.521 13.711 -3.824 1.00 99.99 C ATOM 1071 O SER A 74 8.147 12.951 -4.695 1.00 99.99 O ATOM 1072 CB SER A 74 10.864 13.835 -4.733 1.00 99.99 C ATOM 1073 OG SER A 74 12.102 14.102 -4.089 1.00 99.99 O ATOM 0 H SER A 74 10.621 14.221 -2.116 1.00 99.99 H new ATOM 0 HA SER A 74 9.418 15.468 -4.604 1.00 99.99 H new ATOM 0 HB2 SER A 74 10.653 12.766 -4.711 1.00 99.99 H new ATOM 0 HB3 SER A 74 10.916 14.129 -5.781 1.00 99.99 H new ATOM 0 HG SER A 74 12.818 13.608 -4.540 1.00 99.99 H new ATOM 1079 N ALA A 75 7.889 13.794 -2.684 1.00 99.99 N ATOM 1080 CA ALA A 75 6.685 12.946 -2.435 1.00 99.99 C ATOM 1081 C ALA A 75 5.498 13.451 -3.257 1.00 99.99 C ATOM 1082 O ALA A 75 4.412 12.912 -3.186 1.00 99.99 O ATOM 1083 CB ALA A 75 6.388 13.089 -0.945 1.00 99.99 C ATOM 0 H ALA A 75 8.153 14.411 -1.915 1.00 99.99 H new ATOM 0 HA ALA A 75 6.857 11.908 -2.720 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.513 12.491 -0.689 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.245 12.742 -0.368 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.193 14.136 -0.712 1.00 99.99 H new ATOM 1089 N ASN A 76 5.693 14.475 -4.039 1.00 99.99 N ATOM 1090 CA ASN A 76 4.579 15.000 -4.859 1.00 99.99 C ATOM 1091 C ASN A 76 4.524 14.244 -6.182 1.00 99.99 C ATOM 1092 O ASN A 76 4.019 14.735 -7.172 1.00 99.99 O ATOM 1093 CB ASN A 76 4.909 16.476 -5.090 1.00 99.99 C ATOM 1094 CG ASN A 76 4.703 17.253 -3.789 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.599 17.655 -3.477 1.00 99.99 O ATOM 1096 ND2 ASN A 76 5.724 17.480 -3.010 1.00 99.99 N ATOM 0 H ASN A 76 6.579 14.969 -4.143 1.00 99.99 H new ATOM 0 HA ASN A 76 3.609 14.881 -4.376 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.939 16.581 -5.430 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.272 16.884 -5.875 1.00 99.99 H new ATOM 0 HD21 ASN A 76 5.596 17.995 -2.139 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.650 17.143 -3.272 1.00 99.99 H new ATOM 1103 N SER A 77 5.042 13.047 -6.204 1.00 99.99 N ATOM 1104 CA SER A 77 5.019 12.257 -7.457 1.00 99.99 C ATOM 1105 C SER A 77 4.438 10.877 -7.171 1.00 99.99 C ATOM 1106 O SER A 77 3.969 10.607 -6.080 1.00 99.99 O ATOM 1107 CB SER A 77 6.481 12.146 -7.890 1.00 99.99 C ATOM 1108 OG SER A 77 7.043 10.962 -7.339 1.00 99.99 O ATOM 0 H SER A 77 5.479 12.586 -5.406 1.00 99.99 H new ATOM 0 HA SER A 77 4.408 12.717 -8.233 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.550 12.124 -8.978 1.00 99.99 H new ATOM 0 HB3 SER A 77 7.040 13.019 -7.553 1.00 99.99 H new ATOM 0 HG SER A 77 7.980 10.885 -7.615 1.00 99.99 H new ATOM 1114 N LYS A 78 4.469 9.998 -8.131 1.00 99.99 N ATOM 1115 CA LYS A 78 3.926 8.636 -7.898 1.00 99.99 C ATOM 1116 C LYS A 78 4.753 7.944 -6.814 1.00 99.99 C ATOM 1117 O LYS A 78 5.721 7.266 -7.094 1.00 99.99 O ATOM 1118 CB LYS A 78 4.069 7.913 -9.238 1.00 99.99 C ATOM 1119 CG LYS A 78 3.157 8.574 -10.275 1.00 99.99 C ATOM 1120 CD LYS A 78 3.956 8.869 -11.545 1.00 99.99 C ATOM 1121 CE LYS A 78 3.285 8.188 -12.741 1.00 99.99 C ATOM 1122 NZ LYS A 78 1.936 8.813 -12.831 1.00 99.99 N ATOM 0 H LYS A 78 4.846 10.164 -9.064 1.00 99.99 H new ATOM 0 HA LYS A 78 2.889 8.644 -7.562 1.00 99.99 H new ATOM 0 HB2 LYS A 78 5.105 7.949 -9.574 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.807 6.861 -9.125 1.00 99.99 H new ATOM 0 HG2 LYS A 78 2.317 7.919 -10.506 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.740 9.497 -9.872 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.012 9.945 -11.710 1.00 99.99 H new ATOM 0 HD3 LYS A 78 4.979 8.509 -11.435 1.00 99.99 H new ATOM 0 HE2 LYS A 78 3.855 8.346 -13.656 1.00 99.99 H new ATOM 0 HE3 LYS A 78 3.212 7.111 -12.592 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 1.643 8.865 -13.828 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 1.251 8.239 -12.298 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 1.970 9.772 -12.430 1.00 99.99 H new ATOM 1136 N VAL A 79 4.378 8.116 -5.578 1.00 99.99 N ATOM 1137 CA VAL A 79 5.134 7.482 -4.472 1.00 99.99 C ATOM 1138 C VAL A 79 4.790 5.989 -4.400 1.00 99.99 C ATOM 1139 O VAL A 79 3.954 5.504 -5.138 1.00 99.99 O ATOM 1140 CB VAL A 79 4.652 8.211 -3.221 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.837 9.718 -3.408 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.171 7.905 -2.991 1.00 99.99 C ATOM 0 H VAL A 79 3.574 8.673 -5.288 1.00 99.99 H new ATOM 0 HA VAL A 79 6.215 7.552 -4.596 1.00 99.99 H new ATOM 0 HB VAL A 79 5.230 7.877 -2.360 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.493 10.240 -2.515 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.892 9.937 -3.573 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.258 10.052 -4.269 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.826 8.426 -2.097 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.592 8.240 -3.852 1.00 99.99 H new ATOM 0 HG23 VAL A 79 3.037 6.831 -2.860 1.00 99.99 H new ATOM 1152 N LEU A 80 5.424 5.251 -3.528 1.00 50.00 N ATOM 1153 CA LEU A 80 5.122 3.791 -3.437 1.00 50.00 C ATOM 1154 C LEU A 80 4.792 3.386 -1.997 1.00 50.00 C ATOM 1155 O LEU A 80 5.531 3.668 -1.075 1.00 50.00 O ATOM 1156 CB LEU A 80 6.399 3.095 -3.902 1.00 50.00 C ATOM 1157 CG LEU A 80 6.045 1.755 -4.548 1.00 50.00 C ATOM 1158 CD1 LEU A 80 7.229 1.261 -5.382 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.728 0.732 -3.455 1.00 50.00 C ATOM 0 H LEU A 80 6.133 5.592 -2.879 1.00 50.00 H new ATOM 0 HA LEU A 80 4.256 3.520 -4.041 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.930 3.725 -4.615 1.00 50.00 H new ATOM 0 HB3 LEU A 80 7.068 2.937 -3.056 1.00 50.00 H new ATOM 0 HG LEU A 80 5.175 1.880 -5.193 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.976 0.306 -5.842 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.455 1.990 -6.160 1.00 50.00 H new ATOM 0 HD13 LEU A 80 8.100 1.135 -4.739 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.475 -0.224 -3.914 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.598 0.607 -2.811 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.884 1.084 -2.861 1.00 50.00 H new ATOM 1171 N VAL A 81 3.686 2.719 -1.802 1.00 50.00 N ATOM 1172 CA VAL A 81 3.301 2.285 -0.430 1.00 50.00 C ATOM 1173 C VAL A 81 3.295 0.755 -0.346 1.00 50.00 C ATOM 1174 O VAL A 81 3.435 0.068 -1.339 1.00 50.00 O ATOM 1175 CB VAL A 81 1.891 2.838 -0.232 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.549 2.843 1.258 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.826 4.266 -0.779 1.00 50.00 C ATOM 0 H VAL A 81 3.031 2.456 -2.538 1.00 50.00 H new ATOM 0 HA VAL A 81 3.993 2.642 0.333 1.00 50.00 H new ATOM 0 HB VAL A 81 1.175 2.212 -0.764 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.543 3.238 1.399 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.597 1.825 1.646 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.263 3.469 1.793 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.821 4.664 -0.639 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.541 4.893 -0.246 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.069 4.260 -1.841 1.00 50.00 H new ATOM 1187 N GLU A 82 3.130 0.215 0.832 1.00 50.00 N ATOM 1188 CA GLU A 82 3.112 -1.269 0.978 1.00 50.00 C ATOM 1189 C GLU A 82 2.184 -1.676 2.126 1.00 50.00 C ATOM 1190 O GLU A 82 2.133 -1.030 3.155 1.00 50.00 O ATOM 1191 CB GLU A 82 4.557 -1.656 1.294 1.00 50.00 C ATOM 1192 CG GLU A 82 5.254 -2.123 0.014 1.00 50.00 C ATOM 1193 CD GLU A 82 6.286 -3.197 0.357 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.136 -2.930 1.192 1.00 50.00 O ATOM 1195 OE2 GLU A 82 6.211 -4.270 -0.219 1.00 50.00 O ATOM 0 H GLU A 82 3.007 0.738 1.699 1.00 50.00 H new ATOM 0 HA GLU A 82 2.745 -1.767 0.081 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.088 -0.804 1.719 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.577 -2.449 2.041 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.520 -2.520 -0.688 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.741 -1.280 -0.476 1.00 50.00 H new ATOM 1202 N MET A 83 1.444 -2.739 1.959 1.00 50.00 N ATOM 1203 CA MET A 83 0.519 -3.181 3.040 1.00 50.00 C ATOM 1204 C MET A 83 0.308 -4.697 2.983 1.00 50.00 C ATOM 1205 O MET A 83 0.302 -5.296 1.926 1.00 50.00 O ATOM 1206 CB MET A 83 -0.793 -2.451 2.757 1.00 50.00 C ATOM 1207 CG MET A 83 -1.104 -2.519 1.261 1.00 50.00 C ATOM 1208 SD MET A 83 -2.650 -1.638 0.925 1.00 50.00 S ATOM 1209 CE MET A 83 -2.372 -1.360 -0.842 1.00 50.00 C ATOM 0 H MET A 83 1.441 -3.320 1.121 1.00 50.00 H new ATOM 0 HA MET A 83 0.912 -2.956 4.032 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.603 -2.903 3.328 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.719 -1.412 3.077 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.289 -2.076 0.689 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.189 -3.558 0.943 1.00 50.00 H new ATOM 0 HE1 MET A 83 -3.220 -0.820 -1.263 1.00 50.00 H new ATOM 0 HE2 MET A 83 -1.464 -0.773 -0.980 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.265 -2.319 -1.349 1.00 50.00 H new ATOM 1219 N GLU A 84 0.128 -5.317 4.117 1.00 50.00 N ATOM 1220 CA GLU A 84 -0.089 -6.781 4.147 1.00 50.00 C ATOM 1221 C GLU A 84 -1.539 -7.091 4.527 1.00 50.00 C ATOM 1222 O GLU A 84 -1.818 -7.489 5.640 1.00 50.00 O ATOM 1223 CB GLU A 84 0.875 -7.310 5.213 1.00 50.00 C ATOM 1224 CG GLU A 84 1.003 -6.298 6.355 1.00 50.00 C ATOM 1225 CD GLU A 84 1.412 -7.022 7.639 1.00 50.00 C ATOM 1226 OE1 GLU A 84 2.262 -7.894 7.561 1.00 50.00 O ATOM 1227 OE2 GLU A 84 0.867 -6.693 8.679 1.00 50.00 O ATOM 0 H GLU A 84 0.123 -4.862 5.030 1.00 50.00 H new ATOM 0 HA GLU A 84 0.091 -7.244 3.177 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.514 -8.263 5.600 1.00 50.00 H new ATOM 0 HB3 GLU A 84 1.853 -7.496 4.770 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.744 -5.540 6.101 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.055 -5.780 6.504 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.416 -6.894 3.580 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.857 -7.154 3.811 1.00 50.00 C ATOM 1236 C PRO A 85 -4.130 -8.659 3.859 1.00 50.00 C ATOM 1237 O PRO A 85 -3.349 -9.449 3.367 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.533 -6.515 2.600 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.487 -6.504 1.531 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.149 -6.417 2.219 1.00 50.00 C ATOM 0 HA PRO A 85 -4.219 -6.752 4.757 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.408 -7.086 2.290 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.876 -5.505 2.827 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.549 -7.406 0.923 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.631 -5.657 0.860 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.403 -7.035 1.719 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.768 -5.396 2.222 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.237 -9.002 4.457 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.631 -10.428 4.582 1.00 50.00 C ATOM 1250 C PRO A 86 -6.049 -10.995 3.222 1.00 50.00 C ATOM 1251 O PRO A 86 -6.573 -10.293 2.378 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.819 -10.386 5.541 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.376 -9.006 5.403 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.219 -8.102 5.069 1.00 50.00 C ATOM 0 HA PRO A 86 -4.821 -11.065 4.937 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.563 -11.140 5.282 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.507 -10.585 6.566 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -8.133 -8.971 4.619 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.859 -8.690 6.327 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.516 -7.309 4.383 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.818 -7.619 5.960 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.818 -12.260 3.003 1.00 50.00 N ATOM 1263 CA PHE A 87 -6.199 -12.878 1.697 1.00 50.00 C ATOM 1264 C PHE A 87 -7.703 -12.722 1.457 1.00 50.00 C ATOM 1265 O PHE A 87 -8.507 -12.911 2.348 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.832 -14.361 1.822 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.672 -14.522 2.774 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -3.422 -13.985 2.451 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.853 -15.199 3.986 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -2.350 -14.123 3.339 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.781 -15.339 4.874 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.530 -14.801 4.552 1.00 50.00 C ATOM 0 H PHE A 87 -5.381 -12.895 3.671 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.687 -12.404 0.859 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.691 -14.929 2.181 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.570 -14.764 0.844 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.284 -13.463 1.515 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.819 -15.613 4.235 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -1.385 -13.707 3.090 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.919 -15.863 5.808 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.703 -14.908 5.238 1.00 50.00 H new ATOM 1282 N GLY A 88 -8.089 -12.381 0.257 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.542 -12.218 -0.038 1.00 50.00 C ATOM 1284 C GLY A 88 -9.811 -10.792 -0.520 1.00 50.00 C ATOM 1285 O GLY A 88 -9.196 -10.315 -1.454 1.00 50.00 O ATOM 0 H GLY A 88 -7.463 -12.209 -0.530 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.851 -12.934 -0.799 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -10.130 -12.428 0.855 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.726 -10.107 0.108 1.00 50.00 N ATOM 1290 CA ASP A 89 -11.035 -8.711 -0.314 1.00 50.00 C ATOM 1291 C ASP A 89 -10.791 -7.742 0.845 1.00 50.00 C ATOM 1292 O ASP A 89 -10.998 -8.072 1.996 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.515 -8.732 -0.697 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.808 -7.589 -1.671 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -11.909 -6.802 -1.917 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.926 -7.519 -2.153 1.00 50.00 O ATOM 0 H ASP A 89 -11.274 -10.453 0.896 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.406 -8.379 -1.140 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.769 -9.688 -1.155 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -13.134 -8.631 0.195 1.00 50.00 H new ATOM 1301 N SER A 90 -10.351 -6.549 0.551 1.00 50.00 N ATOM 1302 CA SER A 90 -10.093 -5.560 1.637 1.00 50.00 C ATOM 1303 C SER A 90 -10.513 -4.159 1.188 1.00 50.00 C ATOM 1304 O SER A 90 -10.259 -3.756 0.072 1.00 50.00 O ATOM 1305 CB SER A 90 -8.583 -5.615 1.870 1.00 50.00 C ATOM 1306 OG SER A 90 -8.087 -6.875 1.433 1.00 50.00 O ATOM 0 H SER A 90 -10.159 -6.216 -0.394 1.00 50.00 H new ATOM 0 HA SER A 90 -10.656 -5.786 2.543 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.090 -4.809 1.327 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.361 -5.470 2.927 1.00 50.00 H new ATOM 0 HG SER A 90 -7.228 -6.749 0.979 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.152 -3.411 2.046 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.579 -2.037 1.657 1.00 50.00 C ATOM 1314 C TYR A 91 -10.582 -1.009 2.194 1.00 50.00 C ATOM 1315 O TYR A 91 -10.401 -0.871 3.387 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.951 -1.848 2.305 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.029 -2.167 1.299 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -13.773 -3.074 0.262 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.285 -1.557 1.400 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -14.772 -3.370 -0.671 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.284 -1.854 0.465 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.028 -2.761 -0.570 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.013 -3.053 -1.490 1.00 49.57 O ATOM 0 H TYR A 91 -11.396 -3.691 2.996 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.622 -1.905 0.576 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -13.047 -2.497 3.175 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -13.060 -0.823 2.659 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -12.804 -3.545 0.183 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.483 -0.858 2.199 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -14.574 -4.069 -1.470 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.253 -1.383 0.542 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.823 -2.546 -1.274 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.930 -0.289 1.323 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.943 0.725 1.794 1.00 50.00 C ATOM 1335 C ILE A 92 -9.479 2.138 1.545 1.00 50.00 C ATOM 1336 O ILE A 92 -9.968 2.444 0.478 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.687 0.472 0.960 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -7.006 -0.812 1.439 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.721 1.648 1.120 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.665 -2.021 0.772 1.00 50.00 C ATOM 0 H ILE A 92 -10.036 -0.358 0.311 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.744 0.644 2.863 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.964 0.369 -0.089 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -5.944 -0.784 1.197 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -7.084 -0.894 2.523 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.826 1.467 0.525 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -7.204 2.564 0.780 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.445 1.752 2.169 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -7.179 -2.935 1.114 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -8.722 -2.051 1.036 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -7.564 -1.939 -0.310 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.394 3.003 2.520 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.906 4.390 2.325 1.00 50.00 C ATOM 1354 C VAL A 93 -8.813 5.419 2.628 1.00 50.00 C ATOM 1355 O VAL A 93 -8.283 5.474 3.720 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.059 4.530 3.320 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.852 5.801 3.010 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.983 3.316 3.206 1.00 50.00 C ATOM 0 H VAL A 93 -8.994 2.811 3.438 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.224 4.565 1.297 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.657 4.589 4.332 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.673 5.900 3.720 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.196 6.668 3.091 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.252 5.742 1.998 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.805 3.416 3.915 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.383 3.257 2.194 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.421 2.409 3.428 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.481 6.243 1.671 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.433 7.279 1.904 1.00 50.00 C ATOM 1370 C VAL A 94 -8.086 8.659 2.017 1.00 50.00 C ATOM 1371 O VAL A 94 -8.453 9.263 1.028 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.529 7.218 0.672 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.315 8.125 0.885 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.059 5.779 0.453 1.00 50.00 C ATOM 0 H VAL A 94 -8.891 6.244 0.737 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.875 7.106 2.824 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.085 7.554 -0.203 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.670 8.082 0.007 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.650 9.151 1.039 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.759 7.789 1.760 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.415 5.736 -0.425 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.503 5.441 1.328 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.924 5.133 0.300 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.242 9.160 3.212 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.880 10.498 3.375 1.00 50.00 C ATOM 1386 C GLY A 95 -8.423 11.133 4.689 1.00 50.00 C ATOM 1387 O GLY A 95 -7.826 10.488 5.527 1.00 50.00 O ATOM 0 H GLY A 95 -7.957 8.704 4.079 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.614 11.142 2.537 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.965 10.397 3.367 1.00 50.00 H new ATOM 1391 N MET A 96 -8.701 12.394 4.873 1.00 50.00 N ATOM 1392 CA MET A 96 -8.285 13.076 6.133 1.00 50.00 C ATOM 1393 C MET A 96 -9.504 13.330 7.023 1.00 50.00 C ATOM 1394 O MET A 96 -9.542 12.931 8.170 1.00 50.00 O ATOM 1395 CB MET A 96 -7.671 14.400 5.677 1.00 50.00 C ATOM 1396 CG MET A 96 -6.356 14.635 6.422 1.00 50.00 C ATOM 1397 SD MET A 96 -5.838 16.356 6.204 1.00 50.00 S ATOM 1398 CE MET A 96 -5.635 16.304 4.407 1.00 50.00 C ATOM 0 H MET A 96 -9.199 12.983 4.205 1.00 50.00 H new ATOM 0 HA MET A 96 -7.585 12.478 6.717 1.00 50.00 H new ATOM 0 HB2 MET A 96 -7.494 14.380 4.602 1.00 50.00 H new ATOM 0 HB3 MET A 96 -8.363 15.220 5.871 1.00 50.00 H new ATOM 0 HG2 MET A 96 -6.481 14.413 7.482 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.586 13.962 6.044 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.738 16.855 4.126 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.541 15.268 4.081 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.504 16.757 3.929 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.500 13.993 6.503 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.716 14.275 7.317 1.00 50.00 C ATOM 1410 C GLY A 97 -12.843 14.749 6.400 1.00 50.00 C ATOM 1411 O GLY A 97 -13.988 14.375 6.561 1.00 50.00 O ATOM 0 H GLY A 97 -10.524 14.352 5.549 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -12.023 13.378 7.855 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.497 15.036 8.066 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.529 15.571 5.435 1.00 50.00 N ATOM 1416 CA ASP A 98 -13.584 16.067 4.505 1.00 50.00 C ATOM 1417 C ASP A 98 -13.701 15.132 3.298 1.00 50.00 C ATOM 1418 O ASP A 98 -14.519 14.234 3.275 1.00 50.00 O ATOM 1419 CB ASP A 98 -13.106 17.451 4.066 1.00 50.00 C ATOM 1420 CG ASP A 98 -13.832 18.522 4.881 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -13.349 18.853 5.952 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -14.858 18.996 4.421 1.00 50.00 O ATOM 0 H ASP A 98 -11.589 15.920 5.251 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.567 16.106 4.975 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -12.029 17.538 4.209 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -13.299 17.594 3.003 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.889 15.334 2.297 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.953 14.457 1.099 1.00 50.00 C ATOM 1429 C LYS A 99 -12.222 13.139 1.373 1.00 50.00 C ATOM 1430 O LYS A 99 -11.091 13.128 1.817 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.252 15.245 -0.010 1.00 50.00 C ATOM 1432 CG LYS A 99 -13.128 16.428 -0.428 1.00 50.00 C ATOM 1433 CD LYS A 99 -13.637 16.209 -1.854 1.00 50.00 C ATOM 1434 CE LYS A 99 -14.013 17.557 -2.474 1.00 50.00 C ATOM 1435 NZ LYS A 99 -15.224 17.999 -1.728 1.00 50.00 N ATOM 0 H LYS A 99 -12.184 16.070 2.259 1.00 50.00 H new ATOM 0 HA LYS A 99 -13.977 14.201 0.826 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -11.283 15.602 0.340 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -12.063 14.598 -0.867 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -13.969 16.531 0.258 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -12.556 17.354 -0.373 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -12.869 15.722 -2.455 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -14.503 15.547 -1.845 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -13.202 18.278 -2.373 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -14.220 17.458 -3.540 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -15.708 18.748 -2.264 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -15.868 17.192 -1.602 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -14.943 18.366 -0.796 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.860 12.031 1.116 1.00 0.00 N ATOM 1450 CA GLN A 100 -12.202 10.716 1.366 1.00 0.00 C ATOM 1451 C GLN A 100 -12.383 9.802 0.148 1.00 0.00 C ATOM 1452 O GLN A 100 -13.356 9.894 -0.573 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.908 10.149 2.606 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.125 8.641 2.446 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.326 8.389 1.532 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -14.698 7.257 1.299 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.953 9.403 1.000 1.00 0.00 N ATOM 0 H GLN A 100 -13.808 11.978 0.744 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.128 10.804 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.310 10.346 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.866 10.649 2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.232 8.178 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.294 8.182 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.642 10.355 1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.754 9.244 0.389 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.447 8.927 -0.092 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.563 8.014 -1.265 1.00 0.00 C ATOM 1468 C ILE A 101 -11.503 6.553 -0.808 1.00 0.00 C ATOM 1469 O ILE A 101 -10.554 6.127 -0.183 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.360 8.346 -2.145 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -10.418 9.820 -2.551 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -10.388 7.472 -3.399 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -11.726 10.091 -3.297 1.00 0.00 C ATOM 0 H ILE A 101 -10.607 8.804 0.473 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.506 8.143 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.441 8.156 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.352 10.455 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.567 10.068 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.529 7.709 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.348 6.421 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.307 7.661 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.769 11.141 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -11.772 9.466 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -12.570 9.859 -2.647 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.511 5.783 -1.116 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.509 4.351 -0.698 1.00 0.00 C ATOM 1487 C ASN A 102 -12.336 3.440 -1.918 1.00 0.00 C ATOM 1488 O ASN A 102 -12.945 3.644 -2.950 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.875 4.127 -0.050 1.00 0.00 C ATOM 1490 CG ASN A 102 -14.977 4.405 -1.074 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -14.942 5.402 -1.766 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.962 3.558 -1.200 1.00 0.00 N ATOM 0 H ASN A 102 -13.335 6.082 -1.638 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.691 4.122 -0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.953 3.103 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.992 4.783 0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.702 3.734 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.992 2.720 -0.619 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.511 2.434 -1.805 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.299 1.507 -2.953 1.00 0.00 C ATOM 1501 C HIS A 103 -11.586 0.066 -2.520 1.00 0.00 C ATOM 1502 O HIS A 103 -11.663 -0.235 -1.344 1.00 0.00 O ATOM 1503 CB HIS A 103 -9.827 1.674 -3.332 1.00 0.00 C ATOM 1504 CG HIS A 103 -9.703 2.692 -4.432 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -10.742 3.548 -4.769 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -8.672 3.003 -5.283 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -10.316 4.323 -5.782 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -9.061 4.033 -6.134 1.00 0.00 N ATOM 0 H HIS A 103 -10.974 2.214 -0.966 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.959 1.726 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.251 1.991 -2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.414 0.719 -3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.705 2.521 -5.291 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.916 5.087 -6.254 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.507 4.472 -6.869 1.00 0.00 H new ATOM 1516 N HIS A 104 -11.750 -0.825 -3.460 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.042 -2.244 -3.102 1.00 0.00 C ATOM 1518 C HIS A 104 -10.879 -3.153 -3.513 1.00 0.00 C ATOM 1519 O HIS A 104 -10.856 -3.697 -4.599 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.305 -2.599 -3.889 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.231 -1.414 -3.918 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -14.842 -0.982 -5.085 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.655 -0.555 -2.933 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -15.593 0.092 -4.776 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -15.515 0.394 -3.478 1.00 0.00 N ATOM 0 H HIS A 104 -11.695 -0.632 -4.460 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.178 -2.376 -2.029 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.042 -2.893 -4.905 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.804 -3.452 -3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.365 -0.608 -1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -16.186 0.642 -5.491 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -15.985 1.157 -2.990 1.00 0.00 H new ATOM 1533 N TRP A 105 -9.918 -3.325 -2.648 1.00 0.00 N ATOM 1534 CA TRP A 105 -8.759 -4.202 -2.978 1.00 0.00 C ATOM 1535 C TRP A 105 -9.239 -5.627 -3.268 1.00 0.00 C ATOM 1536 O TRP A 105 -9.664 -6.340 -2.381 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.883 -4.178 -1.725 1.00 0.00 C ATOM 1538 CG TRP A 105 -6.474 -4.523 -2.089 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -5.436 -3.657 -2.076 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -5.932 -5.808 -2.515 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -4.290 -4.327 -2.467 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -4.545 -5.654 -2.748 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -6.502 -7.077 -2.720 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -3.751 -6.721 -3.169 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -5.706 -8.154 -3.143 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -4.333 -7.977 -3.368 1.00 0.00 C ATOM 0 H TRP A 105 -9.885 -2.895 -1.724 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.221 -3.863 -3.863 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.918 -3.191 -1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -8.263 -4.887 -0.990 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -5.492 -2.613 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -3.370 -3.893 -2.539 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -7.558 -7.224 -2.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.694 -6.578 -3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -6.154 -9.125 -3.296 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -3.726 -8.809 -3.694 1.00 0.00 H new