USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 105 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-1.6) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 94 SER OG : rot -77:sc= 1.23 USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= -0.0037 (180deg=-0.098) USER MOD Single : A 16 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-6.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -4.01 X(o=-4,f=-3.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -42:sc= 0.407 USER MOD Single : A 37 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.2) USER MOD Single : A 39 SER OG : rot -92:sc= -0.104 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.061 USER MOD Single : A 51 GLN : amide:sc= 0.694 K(o=0.69,f=-5.2!) USER MOD Single : A 53 SER OG : rot -140:sc= -0.0693 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -111:sc= 0.0321 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.289 X(o=-0.29,f=0.0013) USER MOD Single : A 65 TYR OH : rot 6:sc= -1.01 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00511 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 92 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-1.1) USER MOD Single : A 93 HIS : no HE2:sc= -2.28 X(o=-2.3,f=-1.8) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 42:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.897 -1.076 -10.176 1.00 0.00 N ATOM 171 CA LYS A 15 -9.823 -0.360 -11.046 1.00 0.00 C ATOM 172 C LYS A 15 -10.140 1.022 -10.481 1.00 0.00 C ATOM 173 O LYS A 15 -10.078 2.024 -11.194 1.00 0.00 O ATOM 174 CB LYS A 15 -11.115 -1.160 -11.219 1.00 0.00 C ATOM 175 CG LYS A 15 -10.969 -2.361 -12.137 1.00 0.00 C ATOM 176 CD LYS A 15 -12.314 -3.004 -12.434 1.00 0.00 C ATOM 177 CE LYS A 15 -12.168 -4.195 -13.367 1.00 0.00 C ATOM 178 NZ LYS A 15 -11.740 -3.781 -14.732 1.00 0.00 N ATOM 0 HA LYS A 15 -9.347 -0.236 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.455 -1.500 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.889 -0.503 -11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.499 -2.051 -13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.308 -3.095 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.779 -3.325 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.979 -2.267 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.440 -4.893 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.118 -4.726 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.831 -4.587 -15.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.341 -2.999 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.749 -3.468 -14.705 1.00 0.00 H new ATOM 192 N HIS A 16 -10.479 1.068 -9.196 1.00 0.00 N ATOM 193 CA HIS A 16 -10.804 2.328 -8.536 1.00 0.00 C ATOM 194 C HIS A 16 -9.646 3.314 -8.650 1.00 0.00 C ATOM 195 O HIS A 16 -8.504 2.922 -8.890 1.00 0.00 O ATOM 196 CB HIS A 16 -11.137 2.084 -7.063 1.00 0.00 C ATOM 197 CG HIS A 16 -12.021 0.897 -6.838 1.00 0.00 C ATOM 198 ND1 HIS A 16 -11.650 -0.182 -6.064 1.00 0.00 N ATOM 199 CD2 HIS A 16 -13.267 0.622 -7.291 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.629 -1.070 -6.050 1.00 0.00 C ATOM 201 NE2 HIS A 16 -13.622 -0.605 -6.786 1.00 0.00 N ATOM 0 H HIS A 16 -10.536 0.248 -8.592 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.675 2.757 -9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -10.209 1.947 -6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.623 2.971 -6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.869 1.250 -7.930 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.619 -2.014 -5.526 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.509 -1.080 -6.953 1.00 0.00 H new ATOM 210 N SER A 17 -9.950 4.597 -8.480 1.00 0.00 N ATOM 211 CA SER A 17 -8.936 5.642 -8.570 1.00 0.00 C ATOM 212 C SER A 17 -8.170 5.770 -7.254 1.00 0.00 C ATOM 213 O SER A 17 -6.945 5.887 -7.247 1.00 0.00 O ATOM 214 CB SER A 17 -9.582 6.980 -8.928 1.00 0.00 C ATOM 215 OG SER A 17 -10.156 6.939 -10.222 1.00 0.00 O ATOM 0 H SER A 17 -10.890 4.938 -8.279 1.00 0.00 H new ATOM 0 HA SER A 17 -8.233 5.365 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.350 7.225 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.834 7.772 -8.883 1.00 0.00 H new ATOM 0 HG SER A 17 -10.564 7.806 -10.426 1.00 0.00 H new ATOM 221 N TRP A 18 -8.902 5.746 -6.147 1.00 0.00 N ATOM 222 CA TRP A 18 -8.294 5.859 -4.827 1.00 0.00 C ATOM 223 C TRP A 18 -7.314 4.718 -4.579 1.00 0.00 C ATOM 224 O TRP A 18 -6.188 4.940 -4.134 1.00 0.00 O ATOM 225 CB TRP A 18 -9.373 5.864 -3.744 1.00 0.00 C ATOM 226 CG TRP A 18 -10.588 5.068 -4.111 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.665 5.501 -4.831 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.850 3.701 -3.776 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.581 4.485 -4.965 1.00 0.00 N ATOM 230 CE2 TRP A 18 -12.105 3.371 -4.327 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.147 2.724 -3.067 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.668 2.105 -4.187 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.708 1.468 -2.928 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.958 1.167 -3.486 1.00 0.00 C ATOM 0 H TRP A 18 -9.917 5.649 -6.137 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.745 6.800 -4.788 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.952 5.466 -2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.669 6.893 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.780 6.496 -5.236 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.471 4.550 -5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.182 2.946 -2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.631 1.871 -4.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.174 0.706 -2.380 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.369 0.176 -3.361 1.00 0.00 H new ATOM 245 N TYR A 19 -7.748 3.498 -4.871 1.00 0.00 N ATOM 246 CA TYR A 19 -6.909 2.320 -4.677 1.00 0.00 C ATOM 247 C TYR A 19 -5.461 2.616 -5.057 1.00 0.00 C ATOM 248 O TYR A 19 -5.171 2.992 -6.194 1.00 0.00 O ATOM 249 CB TYR A 19 -7.438 1.149 -5.505 1.00 0.00 C ATOM 250 CG TYR A 19 -7.054 -0.205 -4.954 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.622 -0.685 -3.780 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.125 -1.005 -5.607 1.00 0.00 C ATOM 253 CE1 TYR A 19 -7.275 -1.922 -3.273 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.772 -2.243 -5.107 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.349 -2.698 -3.939 1.00 0.00 C ATOM 256 OH TYR A 19 -6.000 -3.929 -3.437 1.00 0.00 O ATOM 0 H TYR A 19 -8.676 3.298 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.941 2.051 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.525 1.215 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.062 1.237 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.347 -0.081 -3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.671 -0.653 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.726 -2.280 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.048 -2.852 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.337 -4.347 -4.026 1.00 0.00 H new ATOM 266 N HIS A 20 -4.557 2.441 -4.100 1.00 0.00 N ATOM 267 CA HIS A 20 -3.138 2.688 -4.333 1.00 0.00 C ATOM 268 C HIS A 20 -2.371 1.374 -4.453 1.00 0.00 C ATOM 269 O HIS A 20 -1.510 1.222 -5.319 1.00 0.00 O ATOM 270 CB HIS A 20 -2.552 3.534 -3.202 1.00 0.00 C ATOM 271 CG HIS A 20 -2.653 5.008 -3.443 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.879 5.933 -2.775 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.441 5.716 -4.285 1.00 0.00 C ATOM 274 CE1 HIS A 20 -2.189 7.147 -3.195 1.00 0.00 C ATOM 275 NE2 HIS A 20 -3.134 7.043 -4.111 1.00 0.00 N ATOM 0 H HIS A 20 -4.781 2.129 -3.155 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.039 3.233 -5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.067 3.290 -2.273 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.504 3.267 -3.065 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.175 5.312 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.745 8.068 -2.848 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.566 7.822 -4.609 1.00 0.00 H new ATOM 284 N GLY A 21 -2.690 0.427 -3.576 1.00 0.00 N ATOM 285 CA GLY A 21 -2.022 -0.861 -3.599 1.00 0.00 C ATOM 286 C GLY A 21 -1.200 -1.111 -2.350 1.00 0.00 C ATOM 287 O GLY A 21 -1.447 -0.531 -1.293 1.00 0.00 O ATOM 0 H GLY A 21 -3.399 0.529 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.766 -1.651 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.374 -0.915 -4.474 1.00 0.00 H new ATOM 291 N PRO A 22 -0.197 -1.994 -2.464 1.00 0.00 N ATOM 292 CA PRO A 22 0.684 -2.341 -1.343 1.00 0.00 C ATOM 293 C PRO A 22 1.609 -1.192 -0.957 1.00 0.00 C ATOM 294 O PRO A 22 2.711 -1.062 -1.491 1.00 0.00 O ATOM 295 CB PRO A 22 1.495 -3.522 -1.883 1.00 0.00 C ATOM 296 CG PRO A 22 1.482 -3.346 -3.362 1.00 0.00 C ATOM 297 CD PRO A 22 0.155 -2.722 -3.694 1.00 0.00 C ATOM 0 HA PRO A 22 0.122 -2.570 -0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.513 -3.515 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.049 -4.474 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.305 -2.709 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.601 -4.303 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.229 -2.052 -4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.592 -3.475 -3.943 1.00 0.00 H new ATOM 305 N VAL A 23 1.154 -0.359 -0.025 1.00 0.00 N ATOM 306 CA VAL A 23 1.941 0.779 0.433 1.00 0.00 C ATOM 307 C VAL A 23 2.279 0.650 1.914 1.00 0.00 C ATOM 308 O VAL A 23 1.532 0.043 2.682 1.00 0.00 O ATOM 309 CB VAL A 23 1.197 2.106 0.201 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.017 3.276 0.725 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.879 2.288 -1.275 1.00 0.00 C ATOM 0 H VAL A 23 0.244 -0.452 0.427 1.00 0.00 H new ATOM 0 HA VAL A 23 2.863 0.783 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 23 0.256 2.076 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.475 4.206 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.190 3.150 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.974 3.312 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.353 3.232 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.806 2.297 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.250 1.466 -1.616 1.00 0.00 H new ATOM 321 N SER A 24 3.410 1.226 2.309 1.00 0.00 N ATOM 322 CA SER A 24 3.849 1.174 3.700 1.00 0.00 C ATOM 323 C SER A 24 3.536 2.483 4.418 1.00 0.00 C ATOM 324 O SER A 24 3.586 3.559 3.820 1.00 0.00 O ATOM 325 CB SER A 24 5.350 0.887 3.772 1.00 0.00 C ATOM 326 OG SER A 24 5.620 -0.481 3.514 1.00 0.00 O ATOM 0 H SER A 24 4.039 1.734 1.687 1.00 0.00 H new ATOM 0 HA SER A 24 3.307 0.369 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.877 1.508 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.728 1.156 4.758 1.00 0.00 H new ATOM 0 HG SER A 24 6.586 -0.639 3.564 1.00 0.00 H new ATOM 332 N ARG A 25 3.213 2.383 5.703 1.00 0.00 N ATOM 333 CA ARG A 25 2.891 3.558 6.504 1.00 0.00 C ATOM 334 C ARG A 25 3.732 4.757 6.074 1.00 0.00 C ATOM 335 O ARG A 25 3.227 5.874 5.964 1.00 0.00 O ATOM 336 CB ARG A 25 3.118 3.269 7.989 1.00 0.00 C ATOM 337 CG ARG A 25 4.566 2.954 8.333 1.00 0.00 C ATOM 338 CD ARG A 25 4.707 2.490 9.774 1.00 0.00 C ATOM 339 NE ARG A 25 5.876 1.633 9.961 1.00 0.00 N ATOM 340 CZ ARG A 25 6.027 0.810 10.991 1.00 0.00 C ATOM 341 NH1 ARG A 25 5.087 0.732 11.925 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.118 0.063 11.092 1.00 0.00 N ATOM 0 H ARG A 25 3.167 1.500 6.212 1.00 0.00 H new ATOM 0 HA ARG A 25 1.840 3.797 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.794 4.131 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.491 2.429 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.941 2.181 7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.180 3.840 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.785 3.358 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.809 1.948 10.070 1.00 0.00 H new ATOM 0 HE ARG A 25 6.617 1.669 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.247 1.305 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.205 0.099 12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.843 0.120 10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.232 -0.569 11.885 1.00 0.00 H new ATOM 356 N SER A 26 5.016 4.516 5.831 1.00 0.00 N ATOM 357 CA SER A 26 5.928 5.575 5.417 1.00 0.00 C ATOM 358 C SER A 26 5.647 6.003 3.980 1.00 0.00 C ATOM 359 O SER A 26 5.232 7.133 3.728 1.00 0.00 O ATOM 360 CB SER A 26 7.379 5.109 5.549 1.00 0.00 C ATOM 361 OG SER A 26 7.848 5.267 6.877 1.00 0.00 O ATOM 0 H SER A 26 5.448 3.596 5.914 1.00 0.00 H new ATOM 0 HA SER A 26 5.770 6.433 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.456 4.062 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.010 5.679 4.867 1.00 0.00 H new ATOM 0 HG SER A 26 8.777 4.960 6.935 1.00 0.00 H new ATOM 367 N ALA A 27 5.877 5.090 3.042 1.00 0.00 N ATOM 368 CA ALA A 27 5.647 5.370 1.630 1.00 0.00 C ATOM 369 C ALA A 27 4.361 6.163 1.430 1.00 0.00 C ATOM 370 O ALA A 27 4.290 7.042 0.573 1.00 0.00 O ATOM 371 CB ALA A 27 5.602 4.074 0.836 1.00 0.00 C ATOM 0 H ALA A 27 6.223 4.150 3.235 1.00 0.00 H new ATOM 0 HA ALA A 27 6.476 5.977 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.430 4.298 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.550 3.548 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.794 3.446 1.210 1.00 0.00 H new ATOM 377 N ALA A 28 3.346 5.845 2.227 1.00 0.00 N ATOM 378 CA ALA A 28 2.061 6.528 2.137 1.00 0.00 C ATOM 379 C ALA A 28 2.212 8.020 2.413 1.00 0.00 C ATOM 380 O ALA A 28 2.010 8.848 1.526 1.00 0.00 O ATOM 381 CB ALA A 28 1.065 5.908 3.106 1.00 0.00 C ATOM 0 H ALA A 28 3.389 5.119 2.942 1.00 0.00 H new ATOM 0 HA ALA A 28 1.685 6.409 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.110 6.428 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.926 4.855 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.444 5.997 4.124 1.00 0.00 H new ATOM 387 N GLU A 29 2.569 8.354 3.649 1.00 0.00 N ATOM 388 CA GLU A 29 2.745 9.749 4.040 1.00 0.00 C ATOM 389 C GLU A 29 3.587 10.501 3.013 1.00 0.00 C ATOM 390 O GLU A 29 3.291 11.645 2.670 1.00 0.00 O ATOM 391 CB GLU A 29 3.406 9.834 5.418 1.00 0.00 C ATOM 392 CG GLU A 29 2.465 9.515 6.566 1.00 0.00 C ATOM 393 CD GLU A 29 3.200 9.201 7.855 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.379 8.794 7.780 1.00 0.00 O ATOM 395 OE2 GLU A 29 2.598 9.364 8.935 1.00 0.00 O ATOM 0 H GLU A 29 2.742 7.680 4.395 1.00 0.00 H new ATOM 0 HA GLU A 29 1.760 10.214 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.250 9.145 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.808 10.838 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.798 10.361 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.840 8.665 6.293 1.00 0.00 H new ATOM 403 N TYR A 30 4.636 9.848 2.525 1.00 0.00 N ATOM 404 CA TYR A 30 5.523 10.454 1.539 1.00 0.00 C ATOM 405 C TYR A 30 4.805 10.647 0.208 1.00 0.00 C ATOM 406 O TYR A 30 5.018 11.642 -0.489 1.00 0.00 O ATOM 407 CB TYR A 30 6.767 9.588 1.340 1.00 0.00 C ATOM 408 CG TYR A 30 7.756 10.166 0.353 1.00 0.00 C ATOM 409 CD1 TYR A 30 8.672 11.134 0.743 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.773 9.744 -0.971 1.00 0.00 C ATOM 411 CE1 TYR A 30 9.577 11.666 -0.154 1.00 0.00 C ATOM 412 CE2 TYR A 30 8.676 10.269 -1.876 1.00 0.00 C ATOM 413 CZ TYR A 30 9.576 11.230 -1.464 1.00 0.00 C ATOM 414 OH TYR A 30 10.476 11.756 -2.361 1.00 0.00 O ATOM 0 H TYR A 30 4.893 8.899 2.796 1.00 0.00 H new ATOM 0 HA TYR A 30 5.827 11.432 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.263 9.453 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.460 8.600 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.677 11.477 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.069 8.993 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.282 12.419 0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.677 9.929 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 30 10.343 11.341 -3.239 1.00 0.00 H new ATOM 424 N LEU A 31 3.951 9.692 -0.141 1.00 0.00 N ATOM 425 CA LEU A 31 3.199 9.756 -1.389 1.00 0.00 C ATOM 426 C LEU A 31 2.245 10.947 -1.391 1.00 0.00 C ATOM 427 O LEU A 31 2.280 11.782 -2.295 1.00 0.00 O ATOM 428 CB LEU A 31 2.414 8.460 -1.603 1.00 0.00 C ATOM 429 CG LEU A 31 2.165 8.057 -3.055 1.00 0.00 C ATOM 430 CD1 LEU A 31 3.483 7.836 -3.783 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.302 6.805 -3.123 1.00 0.00 C ATOM 0 H LEU A 31 3.762 8.863 0.423 1.00 0.00 H new ATOM 0 HA LEU A 31 3.910 9.882 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.949 7.649 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.450 8.556 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 31 1.632 8.869 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.285 7.550 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.066 8.757 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.044 7.043 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.136 6.534 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.808 5.986 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.344 6.997 -2.641 1.00 0.00 H new ATOM 443 N LEU A 32 1.398 11.019 -0.371 1.00 0.00 N ATOM 444 CA LEU A 32 0.434 12.109 -0.254 1.00 0.00 C ATOM 445 C LEU A 32 1.130 13.463 -0.359 1.00 0.00 C ATOM 446 O LEU A 32 0.558 14.427 -0.866 1.00 0.00 O ATOM 447 CB LEU A 32 -0.317 12.012 1.076 1.00 0.00 C ATOM 448 CG LEU A 32 -1.515 11.061 1.101 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.705 10.479 2.494 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.775 11.780 0.644 1.00 0.00 C ATOM 0 H LEU A 32 1.358 10.337 0.387 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.279 12.021 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.387 11.698 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.664 13.009 1.348 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.319 10.240 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.562 9.805 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.810 9.928 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.880 11.287 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.617 11.089 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.976 12.620 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.636 12.147 -0.373 1.00 0.00 H new ATOM 462 N SER A 33 2.368 13.526 0.121 1.00 0.00 N ATOM 463 CA SER A 33 3.140 14.762 0.082 1.00 0.00 C ATOM 464 C SER A 33 3.037 15.423 -1.289 1.00 0.00 C ATOM 465 O SER A 33 3.015 16.649 -1.398 1.00 0.00 O ATOM 466 CB SER A 33 4.607 14.482 0.416 1.00 0.00 C ATOM 467 OG SER A 33 5.350 15.685 0.502 1.00 0.00 O ATOM 0 H SER A 33 2.857 12.736 0.541 1.00 0.00 H new ATOM 0 HA SER A 33 2.728 15.443 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.671 13.943 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.040 13.837 -0.349 1.00 0.00 H new ATOM 0 HG SER A 33 6.283 15.478 0.718 1.00 0.00 H new ATOM 473 N SER A 34 2.975 14.602 -2.333 1.00 0.00 N ATOM 474 CA SER A 34 2.879 15.107 -3.697 1.00 0.00 C ATOM 475 C SER A 34 1.421 15.290 -4.107 1.00 0.00 C ATOM 476 O SER A 34 1.066 15.124 -5.274 1.00 0.00 O ATOM 477 CB SER A 34 3.577 14.152 -4.667 1.00 0.00 C ATOM 478 OG SER A 34 3.717 14.739 -5.949 1.00 0.00 O ATOM 0 H SER A 34 2.990 13.585 -2.260 1.00 0.00 H new ATOM 0 HA SER A 34 3.374 16.078 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.559 13.886 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.005 13.228 -4.747 1.00 0.00 H new ATOM 0 HG SER A 34 2.889 15.205 -6.187 1.00 0.00 H new ATOM 484 N LEU A 35 0.579 15.633 -3.138 1.00 0.00 N ATOM 485 CA LEU A 35 -0.841 15.840 -3.395 1.00 0.00 C ATOM 486 C LEU A 35 -1.391 16.977 -2.540 1.00 0.00 C ATOM 487 O LEU A 35 -0.673 17.555 -1.725 1.00 0.00 O ATOM 488 CB LEU A 35 -1.623 14.554 -3.117 1.00 0.00 C ATOM 489 CG LEU A 35 -1.211 13.328 -3.934 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.806 12.063 -3.336 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.638 13.486 -5.385 1.00 0.00 C ATOM 0 H LEU A 35 0.856 15.774 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.958 16.110 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.521 14.312 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.680 14.749 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.125 13.243 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.502 11.202 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.450 11.942 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.893 12.138 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.337 12.605 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.721 13.597 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.163 14.370 -5.810 1.00 0.00 H new ATOM 503 N ILE A 36 -2.668 17.290 -2.730 1.00 0.00 N ATOM 504 CA ILE A 36 -3.314 18.354 -1.973 1.00 0.00 C ATOM 505 C ILE A 36 -3.765 17.860 -0.604 1.00 0.00 C ATOM 506 O ILE A 36 -3.926 16.659 -0.388 1.00 0.00 O ATOM 507 CB ILE A 36 -4.530 18.923 -2.728 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.617 17.854 -2.868 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.111 19.441 -4.095 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.990 18.421 -3.152 1.00 0.00 C ATOM 0 H ILE A 36 -3.276 16.822 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.574 19.144 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.937 19.756 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.342 17.171 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.658 17.267 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.982 19.840 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.368 20.230 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.682 18.626 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.709 17.607 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.286 19.082 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.965 18.984 -4.085 1.00 0.00 H new ATOM 522 N ASN A 37 -3.971 18.794 0.319 1.00 0.00 N ATOM 523 CA ASN A 37 -4.405 18.454 1.670 1.00 0.00 C ATOM 524 C ASN A 37 -5.889 18.105 1.689 1.00 0.00 C ATOM 525 O ASN A 37 -6.653 18.640 2.493 1.00 0.00 O ATOM 526 CB ASN A 37 -4.129 19.617 2.624 1.00 0.00 C ATOM 527 CG ASN A 37 -2.737 20.192 2.450 1.00 0.00 C ATOM 528 OD1 ASN A 37 -1.846 19.535 1.912 1.00 0.00 O ATOM 529 ND2 ASN A 37 -2.545 21.423 2.905 1.00 0.00 N ATOM 0 H ASN A 37 -3.844 19.793 0.156 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.840 17.582 2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.866 20.402 2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.252 19.277 3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.629 21.863 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.313 21.930 3.344 1.00 0.00 H new ATOM 536 N GLY A 38 -6.292 17.200 0.801 1.00 0.00 N ATOM 537 CA GLY A 38 -7.684 16.794 0.735 1.00 0.00 C ATOM 538 C GLY A 38 -7.856 15.406 0.152 1.00 0.00 C ATOM 539 O GLY A 38 -8.758 14.667 0.545 1.00 0.00 O ATOM 0 H GLY A 38 -5.679 16.741 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.115 16.820 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.240 17.510 0.130 1.00 0.00 H new ATOM 543 N SER A 39 -6.987 15.050 -0.790 1.00 0.00 N ATOM 544 CA SER A 39 -7.051 13.742 -1.432 1.00 0.00 C ATOM 545 C SER A 39 -6.842 12.626 -0.414 1.00 0.00 C ATOM 546 O SER A 39 -6.270 12.843 0.654 1.00 0.00 O ATOM 547 CB SER A 39 -5.998 13.643 -2.538 1.00 0.00 C ATOM 548 OG SER A 39 -4.791 14.277 -2.151 1.00 0.00 O ATOM 0 H SER A 39 -6.232 15.648 -1.125 1.00 0.00 H new ATOM 0 HA SER A 39 -8.042 13.628 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.805 12.595 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.379 14.104 -3.449 1.00 0.00 H new ATOM 0 HG SER A 39 -4.801 15.210 -2.450 1.00 0.00 H new ATOM 554 N PHE A 40 -7.311 11.430 -0.754 1.00 0.00 N ATOM 555 CA PHE A 40 -7.177 10.277 0.131 1.00 0.00 C ATOM 556 C PHE A 40 -6.638 9.068 -0.628 1.00 0.00 C ATOM 557 O PHE A 40 -6.661 9.034 -1.860 1.00 0.00 O ATOM 558 CB PHE A 40 -8.529 9.935 0.765 1.00 0.00 C ATOM 559 CG PHE A 40 -9.446 9.179 -0.153 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.276 9.854 -1.034 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.478 7.794 -0.135 1.00 0.00 C ATOM 562 CE1 PHE A 40 -11.123 9.160 -1.878 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.323 7.095 -0.978 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.145 7.780 -1.852 1.00 0.00 C ATOM 0 H PHE A 40 -7.787 11.233 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.468 10.534 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.360 9.344 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.019 10.857 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.261 10.934 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.836 7.254 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.768 9.698 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.340 6.015 -0.953 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.804 7.237 -2.514 1.00 0.00 H new ATOM 574 N LEU A 41 -6.154 8.080 0.114 1.00 0.00 N ATOM 575 CA LEU A 41 -5.608 6.868 -0.487 1.00 0.00 C ATOM 576 C LEU A 41 -5.995 5.636 0.323 1.00 0.00 C ATOM 577 O LEU A 41 -6.275 5.728 1.518 1.00 0.00 O ATOM 578 CB LEU A 41 -4.084 6.968 -0.588 1.00 0.00 C ATOM 579 CG LEU A 41 -3.304 6.622 0.680 1.00 0.00 C ATOM 580 CD1 LEU A 41 -3.023 5.127 0.743 1.00 0.00 C ATOM 581 CD2 LEU A 41 -2.005 7.412 0.738 1.00 0.00 C ATOM 0 H LEU A 41 -6.128 8.093 1.134 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.027 6.768 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.749 6.308 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.825 7.985 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.912 6.894 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.467 4.899 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.966 4.579 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.435 4.830 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.462 7.153 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.393 7.170 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.228 8.479 0.740 1.00 0.00 H new ATOM 593 N VAL A 42 -6.007 4.481 -0.336 1.00 0.00 N ATOM 594 CA VAL A 42 -6.357 3.229 0.324 1.00 0.00 C ATOM 595 C VAL A 42 -5.274 2.176 0.115 1.00 0.00 C ATOM 596 O VAL A 42 -5.181 1.570 -0.953 1.00 0.00 O ATOM 597 CB VAL A 42 -7.698 2.677 -0.193 1.00 0.00 C ATOM 598 CG1 VAL A 42 -8.008 1.334 0.451 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.819 3.674 0.069 1.00 0.00 C ATOM 0 H VAL A 42 -5.778 4.387 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.448 3.448 1.388 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.618 2.526 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.960 0.960 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.217 0.624 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.070 1.455 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.760 3.269 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.900 3.857 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.600 4.611 -0.443 1.00 0.00 H new ATOM 609 N ARG A 43 -4.456 1.963 1.141 1.00 0.00 N ATOM 610 CA ARG A 43 -3.378 0.984 1.070 1.00 0.00 C ATOM 611 C ARG A 43 -3.720 -0.261 1.883 1.00 0.00 C ATOM 612 O ARG A 43 -4.728 -0.296 2.588 1.00 0.00 O ATOM 613 CB ARG A 43 -2.071 1.595 1.577 1.00 0.00 C ATOM 614 CG ARG A 43 -2.079 1.899 3.066 1.00 0.00 C ATOM 615 CD ARG A 43 -0.756 2.496 3.519 1.00 0.00 C ATOM 616 NE ARG A 43 -0.684 2.628 4.971 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.404 1.619 5.789 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.171 0.410 5.298 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.357 1.818 7.100 1.00 0.00 N ATOM 0 H ARG A 43 -4.520 2.456 2.032 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.254 0.693 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.251 0.911 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.873 2.515 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.889 2.592 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.277 0.984 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.063 1.867 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.624 3.475 3.059 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.858 3.546 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.206 0.253 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.044 -0.363 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.536 2.747 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.142 1.042 7.726 1.00 0.00 H new ATOM 633 N GLU A 44 -2.874 -1.282 1.778 1.00 0.00 N ATOM 634 CA GLU A 44 -3.088 -2.528 2.503 1.00 0.00 C ATOM 635 C GLU A 44 -1.870 -2.878 3.354 1.00 0.00 C ATOM 636 O GLU A 44 -0.803 -3.192 2.830 1.00 0.00 O ATOM 637 CB GLU A 44 -3.385 -3.667 1.525 1.00 0.00 C ATOM 638 CG GLU A 44 -3.904 -4.927 2.199 1.00 0.00 C ATOM 639 CD GLU A 44 -3.809 -6.148 1.305 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.866 -6.725 0.976 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.678 -6.526 0.934 1.00 0.00 O ATOM 0 H GLU A 44 -2.035 -1.270 1.198 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.944 -2.393 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.120 -3.326 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.476 -3.908 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.337 -5.105 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.943 -4.776 2.492 1.00 0.00 H new ATOM 649 N SER A 45 -2.041 -2.820 4.672 1.00 0.00 N ATOM 650 CA SER A 45 -0.957 -3.127 5.596 1.00 0.00 C ATOM 651 C SER A 45 -0.092 -4.263 5.062 1.00 0.00 C ATOM 652 O SER A 45 -0.598 -5.319 4.685 1.00 0.00 O ATOM 653 CB SER A 45 -1.519 -3.500 6.969 1.00 0.00 C ATOM 654 OG SER A 45 -0.477 -3.781 7.888 1.00 0.00 O ATOM 0 H SER A 45 -2.920 -2.563 5.122 1.00 0.00 H new ATOM 0 HA SER A 45 -0.335 -2.237 5.695 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.132 -2.683 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.170 -4.370 6.875 1.00 0.00 H new ATOM 0 HG SER A 45 -0.862 -4.015 8.758 1.00 0.00 H new ATOM 660 N GLU A 46 1.218 -4.039 5.033 1.00 0.00 N ATOM 661 CA GLU A 46 2.155 -5.045 4.544 1.00 0.00 C ATOM 662 C GLU A 46 2.345 -6.157 5.571 1.00 0.00 C ATOM 663 O GLU A 46 2.241 -7.339 5.248 1.00 0.00 O ATOM 664 CB GLU A 46 3.504 -4.401 4.216 1.00 0.00 C ATOM 665 CG GLU A 46 4.452 -5.323 3.468 1.00 0.00 C ATOM 666 CD GLU A 46 5.176 -6.287 4.387 1.00 0.00 C ATOM 667 OE1 GLU A 46 6.257 -5.924 4.893 1.00 0.00 O ATOM 668 OE2 GLU A 46 4.661 -7.406 4.599 1.00 0.00 O ATOM 0 H GLU A 46 1.655 -3.171 5.342 1.00 0.00 H new ATOM 0 HA GLU A 46 1.739 -5.481 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.334 -3.506 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.979 -4.080 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.891 -5.889 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.184 -4.724 2.927 1.00 0.00 H new ATOM 676 N SER A 47 2.625 -5.768 6.810 1.00 0.00 N ATOM 677 CA SER A 47 2.834 -6.731 7.885 1.00 0.00 C ATOM 678 C SER A 47 1.934 -7.949 7.707 1.00 0.00 C ATOM 679 O SER A 47 2.402 -9.086 7.702 1.00 0.00 O ATOM 680 CB SER A 47 2.566 -6.078 9.242 1.00 0.00 C ATOM 681 OG SER A 47 3.550 -5.104 9.544 1.00 0.00 O ATOM 0 H SER A 47 2.712 -4.792 7.095 1.00 0.00 H new ATOM 0 HA SER A 47 3.872 -7.061 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.580 -5.613 9.237 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.555 -6.841 10.020 1.00 0.00 H new ATOM 0 HG SER A 47 3.354 -4.701 10.416 1.00 0.00 H new ATOM 687 N SER A 48 0.636 -7.700 7.561 1.00 0.00 N ATOM 688 CA SER A 48 -0.334 -8.775 7.386 1.00 0.00 C ATOM 689 C SER A 48 -1.244 -8.498 6.194 1.00 0.00 C ATOM 690 O SER A 48 -1.736 -7.386 6.002 1.00 0.00 O ATOM 691 CB SER A 48 -1.173 -8.947 8.653 1.00 0.00 C ATOM 692 OG SER A 48 -1.930 -10.144 8.606 1.00 0.00 O ATOM 0 H SER A 48 0.232 -6.763 7.560 1.00 0.00 H new ATOM 0 HA SER A 48 0.215 -9.697 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.520 -8.960 9.526 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.842 -8.094 8.768 1.00 0.00 H new ATOM 0 HG SER A 48 -2.456 -10.231 9.428 1.00 0.00 H new ATOM 698 N PRO A 49 -1.473 -9.532 5.371 1.00 0.00 N ATOM 699 CA PRO A 49 -2.326 -9.425 4.183 1.00 0.00 C ATOM 700 C PRO A 49 -3.799 -9.256 4.539 1.00 0.00 C ATOM 701 O PRO A 49 -4.244 -9.689 5.603 1.00 0.00 O ATOM 702 CB PRO A 49 -2.099 -10.757 3.463 1.00 0.00 C ATOM 703 CG PRO A 49 -1.688 -11.703 4.538 1.00 0.00 C ATOM 704 CD PRO A 49 -0.918 -10.886 5.537 1.00 0.00 C ATOM 0 HA PRO A 49 -2.078 -8.551 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.006 -11.096 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.328 -10.667 2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.558 -12.168 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.073 -12.508 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.059 -11.256 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.153 -10.909 5.335 1.00 0.00 H new ATOM 712 N GLY A 50 -4.550 -8.624 3.644 1.00 0.00 N ATOM 713 CA GLY A 50 -5.966 -8.409 3.884 1.00 0.00 C ATOM 714 C GLY A 50 -6.243 -7.095 4.587 1.00 0.00 C ATOM 715 O GLY A 50 -7.095 -6.320 4.152 1.00 0.00 O ATOM 0 H GLY A 50 -4.205 -8.257 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.499 -8.428 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.358 -9.229 4.486 1.00 0.00 H new ATOM 719 N GLN A 51 -5.521 -6.846 5.675 1.00 0.00 N ATOM 720 CA GLN A 51 -5.697 -5.617 6.440 1.00 0.00 C ATOM 721 C GLN A 51 -5.559 -4.391 5.543 1.00 0.00 C ATOM 722 O GLN A 51 -4.594 -4.268 4.788 1.00 0.00 O ATOM 723 CB GLN A 51 -4.674 -5.549 7.576 1.00 0.00 C ATOM 724 CG GLN A 51 -4.904 -6.585 8.665 1.00 0.00 C ATOM 725 CD GLN A 51 -6.341 -6.618 9.143 1.00 0.00 C ATOM 726 OE1 GLN A 51 -6.911 -5.589 9.512 1.00 0.00 O ATOM 727 NE2 GLN A 51 -6.939 -7.804 9.142 1.00 0.00 N ATOM 0 H GLN A 51 -4.811 -7.477 6.046 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.702 -5.623 6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.675 -5.685 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.703 -4.554 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.627 -7.570 8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.249 -6.371 9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.431 -8.631 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.906 -7.888 9.455 1.00 0.00 H new ATOM 736 N LEU A 52 -6.530 -3.490 5.630 1.00 0.00 N ATOM 737 CA LEU A 52 -6.518 -2.273 4.824 1.00 0.00 C ATOM 738 C LEU A 52 -6.461 -1.034 5.711 1.00 0.00 C ATOM 739 O LEU A 52 -6.672 -1.114 6.922 1.00 0.00 O ATOM 740 CB LEU A 52 -7.758 -2.217 3.930 1.00 0.00 C ATOM 741 CG LEU A 52 -7.809 -3.232 2.789 1.00 0.00 C ATOM 742 CD1 LEU A 52 -9.240 -3.428 2.311 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.918 -2.786 1.639 1.00 0.00 C ATOM 0 H LEU A 52 -7.335 -3.578 6.250 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.626 -2.291 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.639 -2.359 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.829 -1.217 3.503 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.438 -4.187 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.256 -4.154 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.852 -3.793 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.638 -2.478 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.966 -3.521 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.259 -1.819 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.889 -2.698 1.989 1.00 0.00 H new ATOM 755 N SER A 53 -6.176 0.112 5.102 1.00 0.00 N ATOM 756 CA SER A 53 -6.088 1.369 5.835 1.00 0.00 C ATOM 757 C SER A 53 -6.267 2.559 4.899 1.00 0.00 C ATOM 758 O SER A 53 -5.636 2.634 3.843 1.00 0.00 O ATOM 759 CB SER A 53 -4.741 1.471 6.555 1.00 0.00 C ATOM 760 OG SER A 53 -3.668 1.203 5.670 1.00 0.00 O ATOM 0 H SER A 53 -6.002 0.196 4.101 1.00 0.00 H new ATOM 0 HA SER A 53 -6.890 1.386 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.626 2.469 6.979 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.715 0.767 7.386 1.00 0.00 H new ATOM 0 HG SER A 53 -2.989 0.668 6.132 1.00 0.00 H new ATOM 766 N ILE A 54 -7.133 3.488 5.291 1.00 0.00 N ATOM 767 CA ILE A 54 -7.395 4.676 4.488 1.00 0.00 C ATOM 768 C ILE A 54 -6.682 5.895 5.061 1.00 0.00 C ATOM 769 O ILE A 54 -7.181 6.545 5.979 1.00 0.00 O ATOM 770 CB ILE A 54 -8.904 4.973 4.399 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.605 3.908 3.551 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.137 6.359 3.817 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.044 3.667 3.954 1.00 0.00 C ATOM 0 H ILE A 54 -7.665 3.441 6.160 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.013 4.472 3.488 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.326 4.947 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.575 4.210 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.053 2.972 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.208 6.555 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.665 7.106 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.705 6.411 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.478 2.901 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.080 3.334 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.611 4.592 3.850 1.00 0.00 H new ATOM 785 N SER A 55 -5.511 6.202 4.510 1.00 0.00 N ATOM 786 CA SER A 55 -4.727 7.343 4.967 1.00 0.00 C ATOM 787 C SER A 55 -5.044 8.586 4.141 1.00 0.00 C ATOM 788 O SER A 55 -4.498 8.778 3.053 1.00 0.00 O ATOM 789 CB SER A 55 -3.233 7.029 4.883 1.00 0.00 C ATOM 790 OG SER A 55 -2.507 7.724 5.882 1.00 0.00 O ATOM 0 H SER A 55 -5.085 5.676 3.747 1.00 0.00 H new ATOM 0 HA SER A 55 -4.991 7.541 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.077 5.956 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.856 7.304 3.898 1.00 0.00 H new ATOM 0 HG SER A 55 -1.555 7.504 5.807 1.00 0.00 H new ATOM 796 N LEU A 56 -5.928 9.427 4.664 1.00 0.00 N ATOM 797 CA LEU A 56 -6.320 10.652 3.976 1.00 0.00 C ATOM 798 C LEU A 56 -5.705 11.875 4.651 1.00 0.00 C ATOM 799 O LEU A 56 -5.921 12.116 5.837 1.00 0.00 O ATOM 800 CB LEU A 56 -7.843 10.782 3.951 1.00 0.00 C ATOM 801 CG LEU A 56 -8.460 11.678 5.027 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.147 13.139 4.749 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.963 11.457 5.108 1.00 0.00 C ATOM 0 H LEU A 56 -6.388 9.283 5.563 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.950 10.599 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.139 11.165 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.274 9.785 4.046 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.022 11.412 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.594 13.761 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.067 13.285 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.555 13.420 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.385 12.103 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.418 11.695 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.165 10.415 5.357 1.00 0.00 H new ATOM 815 N ARG A 57 -4.939 12.644 3.884 1.00 0.00 N ATOM 816 CA ARG A 57 -4.294 13.843 4.406 1.00 0.00 C ATOM 817 C ARG A 57 -5.186 15.066 4.218 1.00 0.00 C ATOM 818 O ARG A 57 -5.375 15.543 3.099 1.00 0.00 O ATOM 819 CB ARG A 57 -2.949 14.066 3.713 1.00 0.00 C ATOM 820 CG ARG A 57 -1.928 14.784 4.582 1.00 0.00 C ATOM 821 CD ARG A 57 -2.137 16.290 4.559 1.00 0.00 C ATOM 822 NE ARG A 57 -0.990 17.010 5.107 1.00 0.00 N ATOM 823 CZ ARG A 57 0.138 17.214 4.435 1.00 0.00 C ATOM 824 NH1 ARG A 57 0.269 16.757 3.197 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.138 17.879 5.001 1.00 0.00 N ATOM 0 H ARG A 57 -4.750 12.458 2.899 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.125 13.700 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.542 13.102 3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.110 14.644 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.002 14.421 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.922 14.550 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.314 16.616 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.030 16.541 5.132 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.059 17.376 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.498 16.247 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.136 16.915 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.041 18.234 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.004 18.035 4.484 1.00 0.00 H new ATOM 839 N TYR A 58 -5.731 15.568 5.320 1.00 0.00 N ATOM 840 CA TYR A 58 -6.606 16.734 5.276 1.00 0.00 C ATOM 841 C TYR A 58 -5.975 17.916 6.009 1.00 0.00 C ATOM 842 O TYR A 58 -5.143 17.735 6.895 1.00 0.00 O ATOM 843 CB TYR A 58 -7.964 16.402 5.896 1.00 0.00 C ATOM 844 CG TYR A 58 -8.991 17.499 5.726 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.039 18.259 4.565 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.913 17.777 6.729 1.00 0.00 C ATOM 847 CE1 TYR A 58 -9.975 19.263 4.406 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.852 18.778 6.578 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.880 19.518 5.414 1.00 0.00 C ATOM 850 OH TYR A 58 -11.815 20.517 5.260 1.00 0.00 O ATOM 0 H TYR A 58 -5.583 15.186 6.254 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.749 17.011 4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.345 15.486 5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.830 16.203 6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.332 18.062 3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.894 17.200 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.997 19.845 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.561 18.981 7.367 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.615 21.250 5.879 1.00 0.00 H new ATOM 860 N GLU A 59 -6.381 19.124 5.628 1.00 0.00 N ATOM 861 CA GLU A 59 -5.856 20.334 6.247 1.00 0.00 C ATOM 862 C GLU A 59 -5.484 20.082 7.706 1.00 0.00 C ATOM 863 O GLU A 59 -6.328 20.160 8.597 1.00 0.00 O ATOM 864 CB GLU A 59 -6.884 21.465 6.160 1.00 0.00 C ATOM 865 CG GLU A 59 -8.260 21.078 6.675 1.00 0.00 C ATOM 866 CD GLU A 59 -8.999 22.246 7.299 1.00 0.00 C ATOM 867 OE1 GLU A 59 -8.348 23.268 7.599 1.00 0.00 O ATOM 868 OE2 GLU A 59 -10.229 22.136 7.487 1.00 0.00 O ATOM 0 H GLU A 59 -7.071 19.289 4.895 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.956 20.627 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.520 22.320 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.971 21.786 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.852 20.676 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.157 20.282 7.413 1.00 0.00 H new ATOM 876 N GLY A 60 -4.209 19.780 7.941 1.00 0.00 N ATOM 877 CA GLY A 60 -3.747 19.520 9.292 1.00 0.00 C ATOM 878 C GLY A 60 -2.640 18.485 9.336 1.00 0.00 C ATOM 879 O GLY A 60 -1.459 18.828 9.277 1.00 0.00 O ATOM 0 H GLY A 60 -3.490 19.711 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.390 20.449 9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.585 19.178 9.900 1.00 0.00 H new ATOM 883 N ARG A 61 -3.022 17.216 9.442 1.00 0.00 N ATOM 884 CA ARG A 61 -2.051 16.129 9.497 1.00 0.00 C ATOM 885 C ARG A 61 -2.589 14.887 8.794 1.00 0.00 C ATOM 886 O ARG A 61 -3.733 14.861 8.341 1.00 0.00 O ATOM 887 CB ARG A 61 -1.708 15.797 10.951 1.00 0.00 C ATOM 888 CG ARG A 61 -0.633 16.694 11.543 1.00 0.00 C ATOM 889 CD ARG A 61 -0.421 16.408 13.021 1.00 0.00 C ATOM 890 NE ARG A 61 0.065 17.583 13.741 1.00 0.00 N ATOM 891 CZ ARG A 61 0.652 17.523 14.931 1.00 0.00 C ATOM 892 NH1 ARG A 61 0.825 16.353 15.531 1.00 0.00 N ATOM 893 NH2 ARG A 61 1.069 18.635 15.523 1.00 0.00 N ATOM 0 H ARG A 61 -3.996 16.916 9.491 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.147 16.455 8.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.611 15.878 11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.377 14.760 11.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.303 16.546 11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.915 17.738 11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.359 16.074 13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.293 15.592 13.134 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.053 18.498 13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.507 15.496 15.079 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.276 16.310 16.445 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.939 19.537 15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.520 18.588 16.437 1.00 0.00 H new ATOM 907 N VAL A 62 -1.752 13.857 8.704 1.00 0.00 N ATOM 908 CA VAL A 62 -2.142 12.610 8.056 1.00 0.00 C ATOM 909 C VAL A 62 -3.001 11.755 8.981 1.00 0.00 C ATOM 910 O VAL A 62 -2.627 11.491 10.124 1.00 0.00 O ATOM 911 CB VAL A 62 -0.910 11.795 7.618 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.337 10.479 6.986 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.051 12.604 6.657 1.00 0.00 C ATOM 0 H VAL A 62 -0.800 13.862 9.071 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.722 12.880 7.173 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.313 11.569 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.453 9.917 6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.907 9.896 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.957 10.679 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.815 12.013 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.637 12.862 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.285 13.517 7.149 1.00 0.00 H new ATOM 923 N TYR A 63 -4.153 11.324 8.479 1.00 0.00 N ATOM 924 CA TYR A 63 -5.067 10.499 9.261 1.00 0.00 C ATOM 925 C TYR A 63 -5.255 9.131 8.613 1.00 0.00 C ATOM 926 O TYR A 63 -5.643 9.031 7.448 1.00 0.00 O ATOM 927 CB TYR A 63 -6.419 11.198 9.407 1.00 0.00 C ATOM 928 CG TYR A 63 -6.310 12.651 9.810 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.610 13.026 10.950 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.906 13.650 9.050 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.507 14.352 11.323 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.808 14.979 9.414 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.107 15.325 10.551 1.00 0.00 C ATOM 934 OH TYR A 63 -6.008 16.648 10.918 1.00 0.00 O ATOM 0 H TYR A 63 -4.476 11.532 7.534 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.632 10.355 10.250 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.957 11.132 8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.014 10.667 10.150 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.138 12.267 11.556 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.455 13.383 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.960 14.625 12.213 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.277 15.743 8.812 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.485 17.205 10.267 1.00 0.00 H new ATOM 944 N HIS A 64 -4.979 8.079 9.377 1.00 0.00 N ATOM 945 CA HIS A 64 -5.120 6.715 8.879 1.00 0.00 C ATOM 946 C HIS A 64 -6.306 6.016 9.536 1.00 0.00 C ATOM 947 O HIS A 64 -6.592 6.232 10.714 1.00 0.00 O ATOM 948 CB HIS A 64 -3.838 5.921 9.137 1.00 0.00 C ATOM 949 CG HIS A 64 -3.607 5.612 10.584 1.00 0.00 C ATOM 950 ND1 HIS A 64 -3.633 4.331 11.093 1.00 0.00 N ATOM 951 CD2 HIS A 64 -3.339 6.427 11.631 1.00 0.00 C ATOM 952 CE1 HIS A 64 -3.395 4.372 12.393 1.00 0.00 C ATOM 953 NE2 HIS A 64 -3.212 5.631 12.743 1.00 0.00 N ATOM 0 H HIS A 64 -4.657 8.145 10.343 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.299 6.763 7.805 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.880 4.987 8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.988 6.485 8.754 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.243 7.502 11.598 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.357 3.520 13.056 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.009 5.960 13.687 1.00 0.00 H new ATOM 962 N TYR A 65 -6.994 5.178 8.767 1.00 0.00 N ATOM 963 CA TYR A 65 -8.151 4.451 9.274 1.00 0.00 C ATOM 964 C TYR A 65 -8.017 2.956 9.001 1.00 0.00 C ATOM 965 O TYR A 65 -8.349 2.480 7.916 1.00 0.00 O ATOM 966 CB TYR A 65 -9.435 4.984 8.636 1.00 0.00 C ATOM 967 CG TYR A 65 -9.452 6.487 8.474 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.023 7.320 9.500 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.898 7.075 7.297 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.037 8.695 9.357 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.914 8.447 7.145 1.00 0.00 C ATOM 972 CZ TYR A 65 -9.482 9.253 8.178 1.00 0.00 C ATOM 973 OH TYR A 65 -9.499 10.621 8.030 1.00 0.00 O ATOM 0 H TYR A 65 -6.770 4.986 7.791 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.199 4.603 10.352 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.565 4.520 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.286 4.683 9.247 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.673 6.886 10.425 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.238 6.448 6.486 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.701 9.328 10.165 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.263 8.887 6.222 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.078 11.040 8.810 1.00 0.00 H new ATOM 983 N ARG A 66 -7.528 2.222 9.996 1.00 0.00 N ATOM 984 CA ARG A 66 -7.349 0.781 9.864 1.00 0.00 C ATOM 985 C ARG A 66 -8.695 0.075 9.729 1.00 0.00 C ATOM 986 O ARG A 66 -9.267 -0.388 10.718 1.00 0.00 O ATOM 987 CB ARG A 66 -6.590 0.227 11.071 1.00 0.00 C ATOM 988 CG ARG A 66 -5.971 -1.140 10.828 1.00 0.00 C ATOM 989 CD ARG A 66 -6.996 -2.251 10.986 1.00 0.00 C ATOM 990 NE ARG A 66 -6.366 -3.551 11.194 1.00 0.00 N ATOM 991 CZ ARG A 66 -5.882 -3.956 12.365 1.00 0.00 C ATOM 992 NH1 ARG A 66 -5.958 -3.164 13.426 1.00 0.00 N ATOM 993 NH2 ARG A 66 -5.323 -5.154 12.475 1.00 0.00 N ATOM 0 H ARG A 66 -7.249 2.601 10.901 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.768 0.594 8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.803 0.929 11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.272 0.162 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.546 -1.175 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.150 -1.299 11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.648 -2.025 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.626 -2.292 10.098 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.293 -4.184 10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.388 -2.243 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.586 -3.476 14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.264 -5.766 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.952 -5.463 13.374 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.197 -0.002 8.501 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.475 -0.651 8.238 1.00 0.00 C ATOM 1009 C ILE A 67 -10.659 -1.882 9.119 1.00 0.00 C ATOM 1010 O ILE A 67 -9.729 -2.666 9.310 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.602 -1.067 6.761 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.685 0.170 5.864 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.822 -1.953 6.562 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.335 0.675 5.403 1.00 0.00 C ATOM 0 H ILE A 67 -8.738 0.377 7.673 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.252 0.078 8.470 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.715 -1.636 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.293 -0.065 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.197 0.967 6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.897 -2.238 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.725 -2.849 7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.719 -1.408 6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.471 1.553 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.731 0.942 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.829 -0.106 4.835 1.00 0.00 H new ATOM 1026 N ASN A 68 -11.864 -2.048 9.652 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.171 -3.185 10.511 1.00 0.00 C ATOM 1028 C ASN A 68 -12.710 -4.355 9.695 1.00 0.00 C ATOM 1029 O ASN A 68 -12.958 -4.228 8.495 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.188 -2.783 11.581 1.00 0.00 C ATOM 1031 CG ASN A 68 -12.646 -1.732 12.530 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.565 -1.891 13.098 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.396 -0.651 12.707 1.00 0.00 N ATOM 0 H ASN A 68 -12.645 -1.409 9.504 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.248 -3.500 10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.088 -2.402 11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.480 -3.666 12.150 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.083 0.090 13.334 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.285 -0.561 12.216 1.00 0.00 H new ATOM 1040 N THR A 69 -12.890 -5.496 10.353 1.00 0.00 N ATOM 1041 CA THR A 69 -13.399 -6.689 9.688 1.00 0.00 C ATOM 1042 C THR A 69 -14.238 -7.532 10.641 1.00 0.00 C ATOM 1043 O THR A 69 -13.876 -7.725 11.802 1.00 0.00 O ATOM 1044 CB THR A 69 -12.252 -7.555 9.131 1.00 0.00 C ATOM 1045 OG1 THR A 69 -11.345 -6.740 8.379 1.00 0.00 O ATOM 1046 CG2 THR A 69 -12.794 -8.668 8.248 1.00 0.00 C ATOM 0 H THR A 69 -12.691 -5.619 11.346 1.00 0.00 H new ATOM 0 HA THR A 69 -14.022 -6.349 8.861 1.00 0.00 H new ATOM 0 HB THR A 69 -11.724 -8.005 9.972 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.618 -7.297 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.966 -9.266 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.461 -9.303 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.344 -8.235 7.412 1.00 0.00 H new ATOM 1054 N THR A 70 -15.365 -8.035 10.143 1.00 0.00 N ATOM 1055 CA THR A 70 -16.257 -8.858 10.949 1.00 0.00 C ATOM 1056 C THR A 70 -15.932 -10.339 10.792 1.00 0.00 C ATOM 1057 O THR A 70 -15.073 -10.714 9.994 1.00 0.00 O ATOM 1058 CB THR A 70 -17.732 -8.624 10.571 1.00 0.00 C ATOM 1059 OG1 THR A 70 -17.964 -9.045 9.223 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.104 -7.156 10.721 1.00 0.00 C ATOM 0 H THR A 70 -15.680 -7.886 9.185 1.00 0.00 H new ATOM 0 HA THR A 70 -16.105 -8.564 11.988 1.00 0.00 H new ATOM 0 HB THR A 70 -18.355 -9.210 11.247 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.904 -8.895 8.991 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.150 -7.016 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.954 -6.847 11.755 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.475 -6.553 10.067 1.00 0.00 H new ATOM 1068 N ALA A 71 -16.625 -11.176 11.556 1.00 0.00 N ATOM 1069 CA ALA A 71 -16.412 -12.617 11.499 1.00 0.00 C ATOM 1070 C ALA A 71 -16.468 -13.124 10.061 1.00 0.00 C ATOM 1071 O ALA A 71 -15.647 -13.942 9.648 1.00 0.00 O ATOM 1072 CB ALA A 71 -17.443 -13.338 12.355 1.00 0.00 C ATOM 0 H ALA A 71 -17.339 -10.881 12.222 1.00 0.00 H new ATOM 0 HA ALA A 71 -15.418 -12.828 11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.272 -14.413 12.303 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.353 -13.006 13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.444 -13.112 11.987 1.00 0.00 H new ATOM 1078 N ASP A 72 -17.444 -12.633 9.305 1.00 0.00 N ATOM 1079 CA ASP A 72 -17.607 -13.036 7.912 1.00 0.00 C ATOM 1080 C ASP A 72 -16.448 -12.529 7.060 1.00 0.00 C ATOM 1081 O ASP A 72 -15.727 -13.312 6.444 1.00 0.00 O ATOM 1082 CB ASP A 72 -18.932 -12.509 7.358 1.00 0.00 C ATOM 1083 CG ASP A 72 -20.134 -13.157 8.019 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -20.936 -12.427 8.639 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -20.272 -14.394 7.915 1.00 0.00 O ATOM 0 H ASP A 72 -18.134 -11.956 9.632 1.00 0.00 H new ATOM 0 HA ASP A 72 -17.613 -14.125 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -18.979 -11.430 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -18.971 -12.689 6.284 1.00 0.00 H new ATOM 1091 N GLY A 73 -16.277 -11.211 7.028 1.00 0.00 N ATOM 1092 CA GLY A 73 -15.205 -10.621 6.247 1.00 0.00 C ATOM 1093 C GLY A 73 -15.621 -9.328 5.574 1.00 0.00 C ATOM 1094 O GLY A 73 -15.228 -9.056 4.438 1.00 0.00 O ATOM 0 H GLY A 73 -16.861 -10.541 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.350 -10.431 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.878 -11.333 5.489 1.00 0.00 H new ATOM 1098 N LYS A 74 -16.420 -8.529 6.273 1.00 0.00 N ATOM 1099 CA LYS A 74 -16.891 -7.258 5.737 1.00 0.00 C ATOM 1100 C LYS A 74 -15.935 -6.126 6.101 1.00 0.00 C ATOM 1101 O LYS A 74 -14.947 -6.337 6.803 1.00 0.00 O ATOM 1102 CB LYS A 74 -18.293 -6.946 6.265 1.00 0.00 C ATOM 1103 CG LYS A 74 -19.311 -8.034 5.970 1.00 0.00 C ATOM 1104 CD LYS A 74 -20.682 -7.679 6.520 1.00 0.00 C ATOM 1105 CE LYS A 74 -21.478 -6.841 5.531 1.00 0.00 C ATOM 1106 NZ LYS A 74 -22.163 -7.684 4.513 1.00 0.00 N ATOM 0 H LYS A 74 -16.755 -8.740 7.213 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.929 -7.342 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.240 -6.792 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -18.637 -6.010 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.379 -8.188 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.976 -8.975 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.231 -8.592 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.569 -7.131 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.218 -6.249 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.811 -6.139 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.694 -7.075 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.455 -8.230 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -22.819 -8.337 4.987 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.238 -4.925 5.619 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.406 -3.759 5.896 1.00 0.00 C ATOM 1122 C VAL A 75 -16.261 -2.537 6.213 1.00 0.00 C ATOM 1123 O VAL A 75 -17.239 -2.254 5.518 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.485 -3.432 4.706 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.233 -4.298 4.746 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.227 -3.614 3.392 1.00 0.00 C ATOM 0 H VAL A 75 -17.052 -4.734 5.035 1.00 0.00 H new ATOM 0 HA VAL A 75 -14.794 -4.006 6.763 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.179 -2.389 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.594 -4.053 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.692 -4.112 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.516 -5.349 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.561 -3.378 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.564 -4.647 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.089 -2.947 3.366 1.00 0.00 H new ATOM 1136 N TYR A 76 -15.888 -1.818 7.265 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.622 -0.627 7.675 1.00 0.00 C ATOM 1138 C TYR A 76 -15.880 0.115 8.782 1.00 0.00 C ATOM 1139 O TYR A 76 -15.629 -0.434 9.854 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.025 -1.005 8.151 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.054 -1.593 9.545 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.608 -2.887 9.783 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.528 -0.855 10.622 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.632 -3.428 11.054 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.555 -1.387 11.896 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.107 -2.674 12.106 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.134 -3.209 13.375 1.00 0.00 O ATOM 0 H TYR A 76 -15.082 -2.039 7.850 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.705 0.033 6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.659 -0.119 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.455 -1.724 7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.236 -3.480 8.961 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.882 0.153 10.460 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.281 -4.435 11.222 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.925 -0.799 12.723 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.496 -2.548 14.001 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.533 1.370 8.515 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.821 2.191 9.487 1.00 0.00 C ATOM 1159 C VAL A 77 -15.769 3.157 10.190 1.00 0.00 C ATOM 1160 O VAL A 77 -15.791 4.351 9.891 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.687 2.994 8.821 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.578 2.065 8.353 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.228 3.818 7.665 1.00 0.00 C ATOM 0 H VAL A 77 -15.734 1.841 7.633 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.391 1.510 10.221 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.267 3.678 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.786 2.650 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.172 1.523 9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.979 1.355 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.414 4.379 7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.675 3.156 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.983 4.512 8.035 1.00 0.00 H new ATOM 1173 N THR A 78 -16.552 2.633 11.127 1.00 0.00 N ATOM 1174 CA THR A 78 -17.504 3.447 11.872 1.00 0.00 C ATOM 1175 C THR A 78 -18.191 2.633 12.962 1.00 0.00 C ATOM 1176 O THR A 78 -18.053 1.411 13.017 1.00 0.00 O ATOM 1177 CB THR A 78 -18.576 4.049 10.945 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.691 4.509 11.717 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.046 3.023 9.925 1.00 0.00 C ATOM 0 H THR A 78 -16.546 1.647 11.388 1.00 0.00 H new ATOM 0 HA THR A 78 -16.935 4.256 12.331 1.00 0.00 H new ATOM 0 HB THR A 78 -18.133 4.891 10.413 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.367 4.892 11.119 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.803 3.471 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.200 2.698 9.319 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.472 2.164 10.443 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.930 3.317 13.829 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.641 2.656 14.916 1.00 0.00 C ATOM 1189 C ALA A 79 -21.133 2.964 14.864 1.00 0.00 C ATOM 1190 O ALA A 79 -21.801 3.013 15.896 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.059 3.075 16.258 1.00 0.00 C ATOM 0 H ALA A 79 -19.052 4.329 13.800 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.516 1.580 14.798 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.599 2.574 17.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.006 2.797 16.301 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.154 4.155 16.375 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.648 3.172 13.656 1.00 0.00 N ATOM 1198 CA GLU A 80 -23.062 3.476 13.473 1.00 0.00 C ATOM 1199 C GLU A 80 -23.672 2.591 12.391 1.00 0.00 C ATOM 1200 O GLU A 80 -24.812 2.139 12.513 1.00 0.00 O ATOM 1201 CB GLU A 80 -23.244 4.950 13.103 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.684 5.911 14.137 1.00 0.00 C ATOM 1203 CD GLU A 80 -23.362 7.267 14.103 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -22.873 8.156 13.374 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -24.380 7.440 14.804 1.00 0.00 O ATOM 0 H GLU A 80 -21.108 3.136 12.791 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.576 3.278 14.414 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.759 5.138 12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -24.306 5.153 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.799 5.477 15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.615 6.039 13.967 1.00 0.00 H new ATOM 1213 N SER A 81 -22.908 2.347 11.331 1.00 0.00 N ATOM 1214 CA SER A 81 -23.376 1.518 10.226 1.00 0.00 C ATOM 1215 C SER A 81 -22.258 0.614 9.715 1.00 0.00 C ATOM 1216 O SER A 81 -21.131 0.660 10.210 1.00 0.00 O ATOM 1217 CB SER A 81 -23.896 2.398 9.087 1.00 0.00 C ATOM 1218 OG SER A 81 -25.144 2.978 9.420 1.00 0.00 O ATOM 0 H SER A 81 -21.963 2.711 11.214 1.00 0.00 H new ATOM 0 HA SER A 81 -24.189 0.891 10.592 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.172 3.184 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.999 1.802 8.180 1.00 0.00 H new ATOM 0 HG SER A 81 -25.454 3.537 8.677 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.579 -0.210 8.723 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.603 -1.126 8.144 1.00 0.00 C ATOM 1226 C ARG A 82 -21.690 -1.124 6.621 1.00 0.00 C ATOM 1227 O ARG A 82 -22.533 -0.442 6.039 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.827 -2.544 8.676 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.286 -2.761 10.081 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.184 -4.241 10.415 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.475 -4.806 10.800 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.040 -4.607 11.984 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.431 -3.860 12.896 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.217 -5.153 12.260 1.00 0.00 N ATOM 0 H ARG A 82 -23.507 -0.262 8.303 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.608 -0.788 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -22.895 -2.761 8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.353 -3.256 8.000 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.303 -2.298 10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -21.937 -2.268 10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.795 -4.781 9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.470 -4.381 11.227 1.00 0.00 H new ATOM 0 HE ARG A 82 -22.969 -5.385 10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.526 -3.437 12.688 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.867 -3.709 13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -24.689 -5.727 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -24.650 -4.999 13.171 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.812 -1.890 5.983 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.788 -1.974 4.527 1.00 0.00 C ATOM 1250 C PHE A 83 -20.458 -3.392 4.070 1.00 0.00 C ATOM 1251 O PHE A 83 -19.874 -4.177 4.818 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.764 -0.991 3.955 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.021 0.437 4.346 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.030 1.165 3.733 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.257 1.050 5.324 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.269 2.478 4.090 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.491 2.363 5.685 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.499 3.079 5.066 1.00 0.00 C ATOM 0 H PHE A 83 -20.108 -2.461 6.450 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.779 -1.712 4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.768 -1.278 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.766 -1.068 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.635 0.701 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.468 0.495 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.058 3.034 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.887 2.829 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.684 4.106 5.345 1.00 0.00 H new ATOM 1268 N SER A 84 -20.836 -3.713 2.837 1.00 0.00 N ATOM 1269 CA SER A 84 -20.585 -5.037 2.281 1.00 0.00 C ATOM 1270 C SER A 84 -19.149 -5.151 1.777 1.00 0.00 C ATOM 1271 O SER A 84 -18.392 -6.019 2.213 1.00 0.00 O ATOM 1272 CB SER A 84 -21.562 -5.328 1.140 1.00 0.00 C ATOM 1273 OG SER A 84 -22.905 -5.254 1.588 1.00 0.00 O ATOM 0 H SER A 84 -21.317 -3.074 2.204 1.00 0.00 H new ATOM 0 HA SER A 84 -20.734 -5.771 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.405 -4.614 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.365 -6.320 0.732 1.00 0.00 H new ATOM 0 HG SER A 84 -23.510 -5.442 0.840 1.00 0.00 H new ATOM 1279 N THR A 85 -18.780 -4.269 0.853 1.00 0.00 N ATOM 1280 CA THR A 85 -17.438 -4.269 0.287 1.00 0.00 C ATOM 1281 C THR A 85 -16.746 -2.929 0.510 1.00 0.00 C ATOM 1282 O THR A 85 -17.335 -2.000 1.064 1.00 0.00 O ATOM 1283 CB THR A 85 -17.464 -4.577 -1.222 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.192 -3.558 -1.916 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.099 -5.932 -1.486 1.00 0.00 C ATOM 0 H THR A 85 -19.394 -3.544 0.481 1.00 0.00 H new ATOM 0 HA THR A 85 -16.879 -5.052 0.800 1.00 0.00 H new ATOM 0 HB THR A 85 -16.436 -4.600 -1.585 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.203 -3.759 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.106 -6.128 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.525 -6.708 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.122 -5.934 -1.110 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.495 -2.835 0.075 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.723 -1.606 0.225 1.00 0.00 C ATOM 1295 C LEU A 86 -15.268 -0.507 -0.681 1.00 0.00 C ATOM 1296 O LEU A 86 -15.621 0.577 -0.216 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.249 -1.864 -0.095 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.261 -0.805 0.394 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.280 -0.717 1.912 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.858 -1.113 -0.107 1.00 0.00 C ATOM 0 H LEU A 86 -14.993 -3.595 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.811 -1.275 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.966 -2.823 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.144 -1.959 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.565 0.161 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.570 0.042 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.281 -0.448 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.002 -1.682 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.168 -0.349 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.544 -2.088 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.855 -1.123 -1.197 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.332 -0.794 -1.977 1.00 0.00 N ATOM 1313 CA ALA A 87 -15.838 0.168 -2.948 1.00 0.00 C ATOM 1314 C ALA A 87 -17.051 0.914 -2.403 1.00 0.00 C ATOM 1315 O ALA A 87 -17.236 2.100 -2.675 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.189 -0.532 -4.253 1.00 0.00 C ATOM 0 H ALA A 87 -15.040 -1.685 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.052 0.898 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.566 0.199 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.299 -1.012 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -16.955 -1.285 -4.067 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.876 0.210 -1.633 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.073 0.806 -1.052 1.00 0.00 C ATOM 1324 C GLU A 88 -18.712 1.724 0.114 1.00 0.00 C ATOM 1325 O GLU A 88 -19.342 2.761 0.320 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.034 -0.285 -0.575 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.428 -1.265 -1.668 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.523 -0.725 -2.567 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.586 -1.148 -3.741 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.315 0.119 -2.100 1.00 0.00 O ATOM 0 H GLU A 88 -17.737 -0.773 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.563 1.400 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.570 -0.834 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.934 0.183 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.552 -1.503 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.763 -2.197 -1.212 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.692 1.335 0.873 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.246 2.122 2.017 1.00 0.00 C ATOM 1340 C LEU A 89 -16.692 3.470 1.568 1.00 0.00 C ATOM 1341 O LEU A 89 -17.048 4.513 2.118 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.180 1.357 2.803 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.375 2.175 3.813 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.937 1.301 4.979 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.168 2.813 3.140 1.00 0.00 C ATOM 0 H LEU A 89 -17.159 0.480 0.716 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.107 2.300 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.666 0.538 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.485 0.909 2.093 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.013 2.969 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.365 1.900 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.816 0.891 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.316 0.485 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.606 3.392 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.528 2.034 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.504 3.471 2.339 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.822 3.443 0.564 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.222 4.665 0.040 1.00 0.00 C ATOM 1359 C VAL A 90 -16.242 5.489 -0.734 1.00 0.00 C ATOM 1360 O VAL A 90 -16.385 6.692 -0.506 1.00 0.00 O ATOM 1361 CB VAL A 90 -14.027 4.350 -0.882 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.574 5.604 -1.615 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.883 3.747 -0.083 1.00 0.00 C ATOM 0 H VAL A 90 -15.517 2.589 0.097 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.871 5.240 0.897 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.346 3.619 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.730 5.363 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.395 5.989 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.272 6.360 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.048 3.531 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.562 4.453 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.217 2.824 0.391 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.953 4.838 -1.650 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.963 5.513 -2.457 1.00 0.00 C ATOM 1375 C HIS A 91 -19.061 6.097 -1.575 1.00 0.00 C ATOM 1376 O HIS A 91 -19.434 7.262 -1.719 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.568 4.540 -3.469 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.197 5.217 -4.648 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -18.485 5.999 -5.534 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.478 5.227 -5.086 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -19.302 6.461 -6.464 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.516 6.006 -6.216 1.00 0.00 N ATOM 0 H HIS A 91 -16.848 3.844 -1.852 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.480 6.330 -2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.789 3.864 -3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.319 3.928 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.314 4.717 -4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.024 7.102 -7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.348 6.201 -6.773 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.578 5.281 -0.660 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.634 5.718 0.245 1.00 0.00 C ATOM 1393 C HIS A 92 -20.207 6.960 1.021 1.00 0.00 C ATOM 1394 O HIS A 92 -20.876 7.992 0.977 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.998 4.595 1.217 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.089 4.962 2.174 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.428 4.790 1.893 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.034 5.493 3.419 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.149 5.201 2.921 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.326 5.632 3.860 1.00 0.00 N ATOM 0 H HIS A 92 -19.282 4.314 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.510 5.969 -0.353 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.305 3.718 0.647 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.110 4.313 1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.140 5.758 3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.227 5.187 2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -23.606 6.007 4.766 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.086 6.852 1.731 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.569 7.966 2.516 1.00 0.00 C ATOM 1411 C HIS A 93 -18.606 9.261 1.712 1.00 0.00 C ATOM 1412 O HIS A 93 -18.865 10.334 2.255 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.139 7.675 2.973 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.063 6.784 4.174 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.895 6.919 5.266 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.249 5.739 4.451 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.596 5.996 6.162 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -16.599 5.268 5.692 1.00 0.00 N ATOM 0 H HIS A 93 -18.520 6.005 1.778 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.205 8.086 3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.591 7.212 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.639 8.617 3.198 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -18.627 7.622 5.366 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.469 5.348 3.814 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.083 5.860 7.116 1.00 0.00 H new ATOM 1427 N SER A 94 -18.343 9.152 0.413 1.00 0.00 N ATOM 1428 CA SER A 94 -18.341 10.317 -0.466 1.00 0.00 C ATOM 1429 C SER A 94 -19.490 11.260 -0.122 1.00 0.00 C ATOM 1430 O SER A 94 -19.389 12.473 -0.304 1.00 0.00 O ATOM 1431 CB SER A 94 -18.448 9.877 -1.927 1.00 0.00 C ATOM 1432 OG SER A 94 -19.797 9.639 -2.292 1.00 0.00 O ATOM 0 H SER A 94 -18.129 8.271 -0.054 1.00 0.00 H new ATOM 0 HA SER A 94 -17.401 10.850 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.024 10.645 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.861 8.971 -2.081 1.00 0.00 H new ATOM 0 HG SER A 94 -20.088 8.777 -1.927 1.00 0.00 H new ATOM 1438 N THR A 95 -20.584 10.692 0.379 1.00 0.00 N ATOM 1439 CA THR A 95 -21.753 11.480 0.748 1.00 0.00 C ATOM 1440 C THR A 95 -21.616 12.037 2.160 1.00 0.00 C ATOM 1441 O THR A 95 -21.869 13.218 2.400 1.00 0.00 O ATOM 1442 CB THR A 95 -23.043 10.644 0.661 1.00 0.00 C ATOM 1443 OG1 THR A 95 -23.121 9.993 -0.613 1.00 0.00 O ATOM 1444 CG2 THR A 95 -24.270 11.522 0.862 1.00 0.00 C ATOM 0 H THR A 95 -20.684 9.689 0.538 1.00 0.00 H new ATOM 0 HA THR A 95 -21.815 12.306 0.039 1.00 0.00 H new ATOM 0 HB THR A 95 -23.017 9.894 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.943 9.462 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 95 -25.170 10.910 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 95 -24.223 11.994 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 95 -24.297 12.291 0.090 1.00 0.00 H new ATOM 1452 N VAL A 96 -21.214 11.181 3.094 1.00 0.00 N ATOM 1453 CA VAL A 96 -21.041 11.588 4.483 1.00 0.00 C ATOM 1454 C VAL A 96 -19.669 11.181 5.009 1.00 0.00 C ATOM 1455 O VAL A 96 -19.139 10.134 4.642 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.127 10.975 5.386 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.020 9.458 5.397 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.025 11.535 6.798 1.00 0.00 C ATOM 0 H VAL A 96 -21.002 10.200 2.913 1.00 0.00 H new ATOM 0 HA VAL A 96 -21.128 12.674 4.508 1.00 0.00 H new ATOM 0 HB VAL A 96 -23.103 11.243 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -22.796 9.043 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.147 9.077 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.040 9.165 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.800 11.091 7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.045 11.299 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.157 12.617 6.771 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.101 12.018 5.871 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.791 11.745 6.450 1.00 0.00 C ATOM 1470 C ALA A 97 -17.908 10.838 7.670 1.00 0.00 C ATOM 1471 O ALA A 97 -16.952 10.670 8.426 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.097 13.046 6.823 1.00 0.00 C ATOM 0 H ALA A 97 -19.527 12.890 6.184 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.191 11.228 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.120 12.827 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.971 13.660 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.702 13.585 7.552 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.088 10.255 7.856 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.331 9.364 8.985 1.00 0.00 C ATOM 1480 C ASP A 98 -18.108 8.496 9.265 1.00 0.00 C ATOM 1481 O ASP A 98 -17.946 7.425 8.680 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.548 8.478 8.710 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.841 9.107 9.192 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -22.920 8.624 8.793 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -21.772 10.082 9.969 1.00 0.00 O ATOM 0 H ASP A 98 -19.891 10.383 7.240 1.00 0.00 H new ATOM 0 HA ASP A 98 -19.528 9.977 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.618 8.284 7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.411 7.514 9.200 1.00 0.00 H new ATOM 1491 N GLY A 99 -17.247 8.967 10.163 1.00 0.00 N ATOM 1492 CA GLY A 99 -16.049 8.222 10.504 1.00 0.00 C ATOM 1493 C GLY A 99 -14.793 8.850 9.931 1.00 0.00 C ATOM 1494 O GLY A 99 -13.787 8.988 10.627 1.00 0.00 O ATOM 0 H GLY A 99 -17.358 9.851 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.959 8.161 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.142 7.201 10.134 1.00 0.00 H new ATOM 1498 N LEU A 100 -14.850 9.230 8.660 1.00 0.00 N ATOM 1499 CA LEU A 100 -13.710 9.846 7.992 1.00 0.00 C ATOM 1500 C LEU A 100 -13.554 11.303 8.414 1.00 0.00 C ATOM 1501 O LEU A 100 -14.479 11.906 8.957 1.00 0.00 O ATOM 1502 CB LEU A 100 -13.872 9.758 6.474 1.00 0.00 C ATOM 1503 CG LEU A 100 -13.476 8.426 5.833 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.123 7.265 6.571 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.861 8.408 4.361 1.00 0.00 C ATOM 0 H LEU A 100 -15.675 9.122 8.070 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.812 9.303 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.914 9.962 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.276 10.549 6.019 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.394 8.316 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.830 6.326 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.796 7.268 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -15.207 7.368 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.572 7.454 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -14.939 8.540 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.348 9.217 3.841 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.374 11.864 8.162 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.098 13.252 8.512 1.00 0.00 C ATOM 1519 C VAL A 101 -13.073 14.199 7.820 1.00 0.00 C ATOM 1520 O VAL A 101 -13.533 15.175 8.412 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.658 13.650 8.135 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.595 14.120 6.690 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.139 14.726 9.077 1.00 0.00 C ATOM 0 H VAL A 101 -11.595 11.378 7.717 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.220 13.336 9.592 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.019 12.773 8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.570 14.397 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.923 13.316 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -11.246 14.984 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.121 14.995 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.778 15.606 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.146 14.348 10.100 1.00 0.00 H new ATOM 1533 N THR A 102 -13.384 13.903 6.562 1.00 0.00 N ATOM 1534 CA THR A 102 -14.303 14.727 5.787 1.00 0.00 C ATOM 1535 C THR A 102 -14.697 14.039 4.486 1.00 0.00 C ATOM 1536 O THR A 102 -13.902 13.310 3.892 1.00 0.00 O ATOM 1537 CB THR A 102 -13.688 16.101 5.463 1.00 0.00 C ATOM 1538 OG1 THR A 102 -14.717 17.020 5.077 1.00 0.00 O ATOM 1539 CG2 THR A 102 -12.660 15.985 4.348 1.00 0.00 C ATOM 0 H THR A 102 -13.012 13.098 6.058 1.00 0.00 H new ATOM 0 HA THR A 102 -15.192 14.871 6.401 1.00 0.00 H new ATOM 0 HB THR A 102 -13.189 16.471 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 102 -14.318 17.892 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 102 -12.240 16.968 4.137 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.863 15.308 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 102 -13.140 15.595 3.450 1.00 0.00 H new ATOM 1547 N THR A 103 -15.929 14.274 4.046 1.00 0.00 N ATOM 1548 CA THR A 103 -16.428 13.676 2.815 1.00 0.00 C ATOM 1549 C THR A 103 -15.337 13.620 1.749 1.00 0.00 C ATOM 1550 O THR A 103 -14.943 14.647 1.195 1.00 0.00 O ATOM 1551 CB THR A 103 -17.632 14.458 2.258 1.00 0.00 C ATOM 1552 OG1 THR A 103 -17.328 15.857 2.209 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.867 14.232 3.115 1.00 0.00 C ATOM 0 H THR A 103 -16.600 14.875 4.525 1.00 0.00 H new ATOM 0 HA THR A 103 -16.745 12.663 3.062 1.00 0.00 H new ATOM 0 HB THR A 103 -17.837 14.096 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.411 15.981 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.704 14.794 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.113 13.170 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.670 14.569 4.133 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.855 12.415 1.468 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.809 12.224 0.468 1.00 0.00 C ATOM 1563 C LEU A 104 -14.044 13.122 -0.742 1.00 0.00 C ATOM 1564 O LEU A 104 -15.159 13.207 -1.258 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.758 10.759 0.030 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.524 9.734 1.139 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.618 8.319 0.588 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.173 9.961 1.800 1.00 0.00 C ATOM 0 H LEU A 104 -15.171 11.556 1.918 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.854 12.495 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.697 10.517 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.966 10.650 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.301 9.861 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.449 7.603 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.609 8.159 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.864 8.179 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.024 9.222 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.383 9.863 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.143 10.961 2.232 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.985 13.788 -1.192 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.074 14.677 -2.345 1.00 0.00 C ATOM 1582 C HIS A 105 -12.420 14.046 -3.570 1.00 0.00 C ATOM 1583 O HIS A 105 -13.098 13.689 -4.534 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.411 16.019 -2.033 1.00 0.00 C ATOM 1585 CG HIS A 105 -13.015 17.172 -2.776 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -12.327 18.336 -3.044 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -14.249 17.333 -3.308 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -13.112 19.164 -3.710 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -14.283 18.580 -3.882 1.00 0.00 N ATOM 0 H HIS A 105 -12.056 13.729 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.129 14.843 -2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -12.482 16.210 -0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.350 15.956 -2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -15.056 16.615 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.841 20.151 -4.055 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -15.084 18.989 -4.364 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.099 13.915 -3.526 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.351 13.330 -4.634 1.00 0.00 C ATOM 1600 C TYR A 106 -9.589 12.088 -4.182 1.00 0.00 C ATOM 1601 O TYR A 106 -8.693 12.150 -3.340 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.377 14.355 -5.218 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.046 15.634 -5.668 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -10.938 15.638 -6.733 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.783 16.841 -5.031 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.550 16.805 -7.148 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.390 18.012 -5.439 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.273 17.989 -6.498 1.00 0.00 C ATOM 1609 OH TYR A 106 -11.879 19.154 -6.909 1.00 0.00 O ATOM 0 H TYR A 106 -10.524 14.206 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.064 13.036 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.621 14.593 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.857 13.909 -6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.157 14.713 -7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.091 16.863 -4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.242 16.790 -7.977 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.175 18.941 -4.932 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.576 19.897 -6.346 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.952 10.930 -4.755 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.314 9.652 -4.429 1.00 0.00 C ATOM 1621 C PRO A 107 -7.880 9.570 -4.943 1.00 0.00 C ATOM 1622 O PRO A 107 -6.986 9.101 -4.241 1.00 0.00 O ATOM 1623 CB PRO A 107 -10.197 8.623 -5.141 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.824 9.376 -6.264 1.00 0.00 C ATOM 1625 CD PRO A 107 -11.011 10.782 -5.767 1.00 0.00 C ATOM 0 HA PRO A 107 -9.238 9.498 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.608 7.782 -5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.951 8.215 -4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.189 9.357 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.778 8.932 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.903 11.510 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.002 10.927 -5.336 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.670 10.032 -6.172 1.00 0.00 N ATOM 1634 CA ALA A 108 -6.344 10.012 -6.778 1.00 0.00 C ATOM 1635 C ALA A 108 -6.284 10.934 -7.991 1.00 0.00 C ATOM 1636 O ALA A 108 -7.270 11.134 -8.700 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.964 8.594 -7.171 1.00 0.00 C ATOM 0 H ALA A 108 -8.400 10.424 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.628 10.375 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.972 8.595 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.959 7.960 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.688 8.209 -7.889 1.00 0.00 H new