USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 127 GLN : amide:sc= 0.029 K(o=-1.4,f=-5.9) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -1.47 K(o=-1.4,f=-9.8!) USER MOD Set 2.1: A 103 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.2!) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 19 ASN : amide:sc= -1.57 K(o=-17,f=-25!) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -12.1! C(o=-17!,f=-21!) USER MOD Set 3.3: A 119 MET CE :methyl 166:sc= -2.95! (180deg=-1.16) USER MOD Set 4.1: A 29 HIS :FLIP no HE2:sc= -0.216 F(o=-0.6,f=0.069) USER MOD Set 4.2: A 102 TYR OH : rot 123:sc= 0.286 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.822 F(o=-2.2!,f=-0.82) USER MOD Single : A 25 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot -71:sc= 0.0862 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0547 K(o=-0.055,f=-0.98) USER MOD Single : A 40 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.01 K(o=1,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -90:sc= -0.0172 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.315 K(o=-0.31,f=-3.4!) USER MOD Single : A 66 GLN : amide:sc=-0.00551 X(o=-0.0055,f=-0.07) USER MOD Single : A 71 TYR OH : rot -140:sc= -1.62 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000221 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -160:sc= -0.57 (180deg=-1.69) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.429) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc=-0.00431 X(o=-0.0043,f=-0.016) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -178:sc= 0 (180deg=-0.00591) USER MOD Single : A 118 SER OG : rot 180:sc= 0.539 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 38:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 3.982 3.874 -14.203 1.00 0.00 N ATOM 239 CA SER A 18 3.290 4.273 -12.990 1.00 0.00 C ATOM 240 C SER A 18 2.432 3.116 -12.473 1.00 0.00 C ATOM 241 O SER A 18 1.922 2.318 -13.257 1.00 0.00 O ATOM 242 CB SER A 18 2.423 5.510 -13.231 1.00 0.00 C ATOM 243 OG SER A 18 1.352 5.244 -14.133 1.00 0.00 O ATOM 0 HA SER A 18 4.037 4.528 -12.238 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.019 5.860 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.041 6.314 -13.630 1.00 0.00 H new ATOM 0 HG SER A 18 0.821 6.058 -14.260 1.00 0.00 H new ATOM 249 N ASN A 19 2.298 3.064 -11.155 1.00 0.00 N ATOM 250 CA ASN A 19 1.511 2.018 -10.524 1.00 0.00 C ATOM 251 C ASN A 19 0.539 2.651 -9.525 1.00 0.00 C ATOM 252 O ASN A 19 0.408 2.178 -8.397 1.00 0.00 O ATOM 253 CB ASN A 19 2.405 1.040 -9.760 1.00 0.00 C ATOM 254 CG ASN A 19 3.041 1.716 -8.543 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.295 2.909 -8.525 1.00 0.00 O ATOM 256 ND2 ASN A 19 3.284 0.888 -7.531 1.00 0.00 N ATOM 0 H ASN A 19 2.721 3.729 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 19 0.976 1.480 -11.306 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.818 0.180 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.186 0.663 -10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.708 1.242 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.046 -0.101 -7.613 1.00 0.00 H new ATOM 263 N LYS A 20 -0.117 3.710 -9.976 1.00 0.00 N ATOM 264 CA LYS A 20 -1.072 4.411 -9.136 1.00 0.00 C ATOM 265 C LYS A 20 -2.409 3.668 -9.161 1.00 0.00 C ATOM 266 O LYS A 20 -2.976 3.367 -8.111 1.00 0.00 O ATOM 267 CB LYS A 20 -1.177 5.879 -9.554 1.00 0.00 C ATOM 268 CG LYS A 20 -2.298 6.588 -8.792 1.00 0.00 C ATOM 269 CD LYS A 20 -2.895 7.724 -9.625 1.00 0.00 C ATOM 270 CE LYS A 20 -2.153 9.038 -9.371 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.645 10.096 -10.283 1.00 0.00 N ATOM 0 H LYS A 20 -0.006 4.099 -10.912 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.732 4.422 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.229 6.383 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.364 5.943 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.078 5.871 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.910 6.985 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.841 7.471 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.950 7.844 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.294 9.348 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.083 8.892 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.131 10.981 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.488 9.805 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.662 10.246 -10.124 1.00 0.00 H new ATOM 285 N PHE A 21 -2.875 3.394 -10.370 1.00 0.00 N ATOM 286 CA PHE A 21 -4.135 2.691 -10.546 1.00 0.00 C ATOM 287 C PHE A 21 -4.069 1.288 -9.940 1.00 0.00 C ATOM 288 O PHE A 21 -5.097 0.705 -9.600 1.00 0.00 O ATOM 289 CB PHE A 21 -4.375 2.573 -12.052 1.00 0.00 C ATOM 290 CG PHE A 21 -4.643 3.909 -12.746 1.00 0.00 C ATOM 291 CD1 PHE A 21 -5.722 4.657 -12.389 1.00 0.00 C ATOM 292 CD2 PHE A 21 -3.803 4.350 -13.721 1.00 0.00 C ATOM 293 CE1 PHE A 21 -5.971 5.898 -13.033 1.00 0.00 C ATOM 294 CE2 PHE A 21 -4.052 5.591 -14.365 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.130 6.338 -14.008 1.00 0.00 C ATOM 0 H PHE A 21 -2.403 3.646 -11.238 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.937 3.235 -10.048 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.505 2.104 -12.512 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.223 1.910 -12.223 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.389 4.307 -11.616 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.947 3.756 -14.005 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.827 6.492 -12.749 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.385 5.941 -15.139 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.319 7.281 -14.499 1.00 0.00 H new ATOM 305 N ILE A 22 -2.848 0.785 -9.823 1.00 0.00 N ATOM 306 CA ILE A 22 -2.635 -0.539 -9.264 1.00 0.00 C ATOM 307 C ILE A 22 -2.808 -0.481 -7.745 1.00 0.00 C ATOM 308 O ILE A 22 -3.166 -1.478 -7.119 1.00 0.00 O ATOM 309 CB ILE A 22 -1.280 -1.095 -9.707 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.169 -1.117 -11.233 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.027 -2.474 -9.094 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.280 -1.333 -11.674 1.00 0.00 C ATOM 0 H ILE A 22 -1.997 1.271 -10.106 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.381 -1.237 -9.644 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.500 -0.430 -9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.798 -1.911 -11.636 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.541 -0.178 -11.642 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.058 -2.847 -9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.034 -2.396 -8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.809 -3.163 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.331 -1.345 -12.763 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.902 -0.524 -11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.641 -2.285 -11.284 1.00 0.00 H new ATOM 324 N ILE A 23 -2.548 0.696 -7.196 1.00 0.00 N ATOM 325 CA ILE A 23 -2.671 0.898 -5.762 1.00 0.00 C ATOM 326 C ILE A 23 -4.104 1.318 -5.432 1.00 0.00 C ATOM 327 O ILE A 23 -4.712 0.788 -4.503 1.00 0.00 O ATOM 328 CB ILE A 23 -1.611 1.884 -5.267 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.207 1.288 -5.392 1.00 0.00 C ATOM 330 CG2 ILE A 23 -1.914 2.342 -3.839 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.148 -0.111 -4.777 1.00 0.00 C ATOM 0 H ILE A 23 -2.252 1.521 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.481 -0.033 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.643 2.769 -5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.079 1.239 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.513 1.938 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.146 3.042 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.887 2.832 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.925 1.478 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.861 -0.511 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.411 -0.055 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.852 -0.765 -5.292 1.00 0.00 H new ATOM 343 N HIS A 24 -4.603 2.267 -6.211 1.00 0.00 N ATOM 344 CA HIS A 24 -5.954 2.765 -6.012 1.00 0.00 C ATOM 345 C HIS A 24 -6.885 1.600 -5.673 1.00 0.00 C ATOM 346 O HIS A 24 -7.682 1.689 -4.739 1.00 0.00 O ATOM 347 CB HIS A 24 -6.423 3.563 -7.230 1.00 0.00 C ATOM 348 CG HIS A 24 -6.770 5.001 -6.925 1.00 0.00 C ATOM 349 ND1 HIS A 24 -5.979 6.050 -6.559 1.00 0.00 N flip ATOM 350 CD2 HIS A 24 -8.064 5.488 -6.984 1.00 0.00 C flip ATOM 351 CE1 HIS A 24 -6.748 7.121 -6.403 1.00 0.00 C flip ATOM 352 NE2 HIS A 24 -8.041 6.774 -6.665 1.00 0.00 N flip ATOM 0 H HIS A 24 -4.096 2.704 -6.981 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.971 3.456 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.641 3.542 -7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.297 3.072 -7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.943 4.917 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.406 8.105 -6.116 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.849 7.396 -6.623 1.00 0.00 H new ATOM 360 N ASN A 25 -6.755 0.534 -6.449 1.00 0.00 N ATOM 361 CA ASN A 25 -7.575 -0.647 -6.242 1.00 0.00 C ATOM 362 C ASN A 25 -7.134 -1.351 -4.956 1.00 0.00 C ATOM 363 O ASN A 25 -7.964 -1.697 -4.118 1.00 0.00 O ATOM 364 CB ASN A 25 -7.418 -1.636 -7.399 1.00 0.00 C ATOM 365 CG ASN A 25 -8.503 -1.419 -8.456 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.460 -0.688 -8.260 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.301 -2.093 -9.584 1.00 0.00 N ATOM 0 H ASN A 25 -6.094 0.464 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.615 -0.328 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.434 -1.517 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.473 -2.657 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.969 -2.015 -10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.478 -2.688 -9.682 1.00 0.00 H new ATOM 374 N ALA A 26 -5.827 -1.540 -4.842 1.00 0.00 N ATOM 375 CA ALA A 26 -5.266 -2.196 -3.673 1.00 0.00 C ATOM 376 C ALA A 26 -5.904 -1.612 -2.411 1.00 0.00 C ATOM 377 O ALA A 26 -6.120 -2.326 -1.433 1.00 0.00 O ATOM 378 CB ALA A 26 -3.744 -2.041 -3.682 1.00 0.00 C ATOM 0 H ALA A 26 -5.141 -1.251 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.485 -3.264 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.323 -2.533 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.337 -2.497 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.486 -0.982 -3.663 1.00 0.00 H new ATOM 384 N LEU A 27 -6.187 -0.319 -2.473 1.00 0.00 N ATOM 385 CA LEU A 27 -6.795 0.369 -1.347 1.00 0.00 C ATOM 386 C LEU A 27 -8.234 -0.120 -1.173 1.00 0.00 C ATOM 387 O LEU A 27 -8.632 -0.512 -0.077 1.00 0.00 O ATOM 388 CB LEU A 27 -6.678 1.885 -1.519 1.00 0.00 C ATOM 389 CG LEU A 27 -5.271 2.423 -1.785 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.241 3.950 -1.693 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.249 1.773 -0.850 1.00 0.00 C ATOM 0 H LEU A 27 -6.006 0.270 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.264 0.134 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.323 2.188 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.064 2.364 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.991 2.156 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.229 4.306 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.922 4.372 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.551 4.261 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.257 2.173 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.515 1.987 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.246 0.694 -1.008 1.00 0.00 H new ATOM 403 N SER A 28 -8.976 -0.081 -2.271 1.00 0.00 N ATOM 404 CA SER A 28 -10.362 -0.516 -2.253 1.00 0.00 C ATOM 405 C SER A 28 -10.431 -2.044 -2.196 1.00 0.00 C ATOM 406 O SER A 28 -11.517 -2.618 -2.142 1.00 0.00 O ATOM 407 CB SER A 28 -11.118 0.004 -3.477 1.00 0.00 C ATOM 408 OG SER A 28 -11.625 1.319 -3.272 1.00 0.00 O ATOM 0 H SER A 28 -8.643 0.245 -3.178 1.00 0.00 H new ATOM 0 HA SER A 28 -10.838 -0.104 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.454 0.002 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.943 -0.671 -3.707 1.00 0.00 H new ATOM 0 HG SER A 28 -12.099 1.616 -4.076 1.00 0.00 H new ATOM 414 N HIS A 29 -9.257 -2.658 -2.210 1.00 0.00 N ATOM 415 CA HIS A 29 -9.170 -4.107 -2.160 1.00 0.00 C ATOM 416 C HIS A 29 -9.283 -4.579 -0.709 1.00 0.00 C ATOM 417 O HIS A 29 -10.054 -5.488 -0.407 1.00 0.00 O ATOM 418 CB HIS A 29 -7.894 -4.599 -2.846 1.00 0.00 C ATOM 419 CG HIS A 29 -8.067 -4.917 -4.312 1.00 0.00 C ATOM 420 ND1 HIS A 29 -8.820 -4.308 -5.273 1.00 0.00 N flip ATOM 421 CD2 HIS A 29 -7.422 -5.972 -4.932 1.00 0.00 C flip ATOM 422 CE1 HIS A 29 -8.643 -4.956 -6.418 1.00 0.00 C flip ATOM 423 NE2 HIS A 29 -7.777 -5.988 -6.208 1.00 0.00 N flip ATOM 0 H HIS A 29 -8.358 -2.178 -2.255 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.002 -4.544 -2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.120 -3.839 -2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.538 -5.491 -2.331 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -9.418 -3.493 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.744 -6.665 -4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.108 -4.707 -7.360 1.00 0.00 H new ATOM 431 N CYS A 30 -8.503 -3.939 0.150 1.00 0.00 N ATOM 432 CA CYS A 30 -8.505 -4.282 1.562 1.00 0.00 C ATOM 433 C CYS A 30 -7.553 -3.330 2.289 1.00 0.00 C ATOM 434 O CYS A 30 -7.845 -2.881 3.396 1.00 0.00 O ATOM 435 CB CYS A 30 -8.131 -5.748 1.789 1.00 0.00 C ATOM 436 SG CYS A 30 -9.174 -6.463 3.111 1.00 0.00 S ATOM 0 H CYS A 30 -7.865 -3.185 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.511 -4.166 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.262 -6.312 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.079 -5.825 2.063 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.850 -7.709 3.294 1.00 0.00 H new ATOM 442 N CYS A 31 -6.434 -3.051 1.636 1.00 0.00 N ATOM 443 CA CYS A 31 -5.438 -2.161 2.207 1.00 0.00 C ATOM 444 C CYS A 31 -6.165 -1.001 2.890 1.00 0.00 C ATOM 445 O CYS A 31 -5.739 -0.532 3.944 1.00 0.00 O ATOM 446 CB CYS A 31 -4.446 -1.670 1.150 1.00 0.00 C ATOM 447 SG CYS A 31 -3.165 -2.943 0.855 1.00 0.00 S ATOM 0 H CYS A 31 -6.196 -3.425 0.718 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.844 -2.701 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.972 -1.449 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.979 -0.742 1.481 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.373 -3.008 1.884 1.00 0.00 H new ATOM 453 N LEU A 32 -7.249 -0.571 2.261 1.00 0.00 N ATOM 454 CA LEU A 32 -8.039 0.525 2.794 1.00 0.00 C ATOM 455 C LEU A 32 -9.503 0.335 2.394 1.00 0.00 C ATOM 456 O LEU A 32 -10.169 1.289 1.992 1.00 0.00 O ATOM 457 CB LEU A 32 -7.451 1.870 2.360 1.00 0.00 C ATOM 458 CG LEU A 32 -6.173 2.306 3.078 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.571 3.549 2.419 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.427 2.517 4.572 1.00 0.00 C ATOM 0 H LEU A 32 -7.599 -0.962 1.386 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.004 0.525 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.246 1.826 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.208 2.640 2.508 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.440 1.505 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.663 3.838 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.330 3.329 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.291 4.367 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.502 2.826 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.184 3.290 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.777 1.585 5.017 1.00 0.00 H new ATOM 472 N ALA A 33 -9.961 -0.901 2.517 1.00 0.00 N ATOM 473 CA ALA A 33 -11.335 -1.228 2.172 1.00 0.00 C ATOM 474 C ALA A 33 -12.114 -1.549 3.449 1.00 0.00 C ATOM 475 O ALA A 33 -11.676 -2.365 4.259 1.00 0.00 O ATOM 476 CB ALA A 33 -11.349 -2.387 1.174 1.00 0.00 C ATOM 0 H ALA A 33 -9.406 -1.689 2.851 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.823 -0.379 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.379 -2.632 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.808 -2.098 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.870 -3.258 1.621 1.00 0.00 H new ATOM 482 N GLY A 34 -13.255 -0.891 3.589 1.00 0.00 N ATOM 483 CA GLY A 34 -14.099 -1.096 4.754 1.00 0.00 C ATOM 484 C GLY A 34 -14.866 0.180 5.107 1.00 0.00 C ATOM 485 O GLY A 34 -14.865 1.141 4.339 1.00 0.00 O ATOM 0 H GLY A 34 -13.615 -0.215 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.803 -1.905 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.486 -1.403 5.602 1.00 0.00 H new ATOM 489 N LYS A 35 -15.503 0.147 6.268 1.00 0.00 N ATOM 490 CA LYS A 35 -16.272 1.289 6.732 1.00 0.00 C ATOM 491 C LYS A 35 -15.384 2.176 7.607 1.00 0.00 C ATOM 492 O LYS A 35 -15.481 3.401 7.556 1.00 0.00 O ATOM 493 CB LYS A 35 -17.554 0.825 7.428 1.00 0.00 C ATOM 494 CG LYS A 35 -18.594 1.946 7.465 1.00 0.00 C ATOM 495 CD LYS A 35 -19.774 1.631 6.543 1.00 0.00 C ATOM 496 CE LYS A 35 -21.067 1.465 7.344 1.00 0.00 C ATOM 497 NZ LYS A 35 -21.176 0.087 7.873 1.00 0.00 N ATOM 0 H LYS A 35 -15.502 -0.653 6.901 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.597 1.897 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.964 -0.039 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.325 0.503 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.952 2.081 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.132 2.886 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.894 2.432 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.569 0.718 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.086 2.179 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.925 1.686 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.059 -0.008 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.179 -0.589 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.366 -0.111 8.495 1.00 0.00 H new ATOM 511 N VAL A 36 -14.538 1.522 8.390 1.00 0.00 N ATOM 512 CA VAL A 36 -13.633 2.235 9.275 1.00 0.00 C ATOM 513 C VAL A 36 -12.694 3.108 8.441 1.00 0.00 C ATOM 514 O VAL A 36 -12.449 4.265 8.782 1.00 0.00 O ATOM 515 CB VAL A 36 -12.889 1.244 10.172 1.00 0.00 C ATOM 516 CG1 VAL A 36 -11.376 1.358 9.978 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.270 1.442 11.641 1.00 0.00 C ATOM 0 H VAL A 36 -14.461 0.506 8.430 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.190 2.897 9.938 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.189 0.237 9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.871 0.643 10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.125 1.145 8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.052 2.368 10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.727 0.725 12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.012 2.455 11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.342 1.287 11.763 1.00 0.00 H new ATOM 527 N ASN A 37 -12.193 2.522 7.364 1.00 0.00 N ATOM 528 CA ASN A 37 -11.286 3.232 6.478 1.00 0.00 C ATOM 529 C ASN A 37 -12.085 3.867 5.339 1.00 0.00 C ATOM 530 O ASN A 37 -11.576 4.022 4.230 1.00 0.00 O ATOM 531 CB ASN A 37 -10.260 2.279 5.862 1.00 0.00 C ATOM 532 CG ASN A 37 -9.132 1.974 6.850 1.00 0.00 C ATOM 533 OD1 ASN A 37 -8.690 2.821 7.608 1.00 0.00 O ATOM 534 ND2 ASN A 37 -8.694 0.719 6.799 1.00 0.00 N ATOM 0 H ASN A 37 -12.398 1.563 7.084 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.767 3.991 7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.751 1.351 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.845 2.722 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.943 0.415 7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.109 0.060 6.140 1.00 0.00 H new ATOM 541 N GLU A 38 -13.324 4.217 5.651 1.00 0.00 N ATOM 542 CA GLU A 38 -14.199 4.832 4.667 1.00 0.00 C ATOM 543 C GLU A 38 -13.854 6.313 4.503 1.00 0.00 C ATOM 544 O GLU A 38 -13.838 6.830 3.387 1.00 0.00 O ATOM 545 CB GLU A 38 -15.669 4.650 5.051 1.00 0.00 C ATOM 546 CG GLU A 38 -16.589 5.329 4.034 1.00 0.00 C ATOM 547 CD GLU A 38 -17.921 5.722 4.676 1.00 0.00 C ATOM 548 OE1 GLU A 38 -17.971 6.836 5.242 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.859 4.901 4.588 1.00 0.00 O ATOM 0 H GLU A 38 -13.743 4.086 6.572 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.044 4.335 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.905 3.587 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.844 5.069 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.100 6.216 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.770 4.656 3.196 1.00 0.00 H new ATOM 556 N PRO A 39 -13.581 6.972 5.661 1.00 0.00 N ATOM 557 CA PRO A 39 -13.237 8.384 5.656 1.00 0.00 C ATOM 558 C PRO A 39 -11.808 8.599 5.156 1.00 0.00 C ATOM 559 O PRO A 39 -11.546 9.528 4.393 1.00 0.00 O ATOM 560 CB PRO A 39 -13.440 8.843 7.090 1.00 0.00 C ATOM 561 CG PRO A 39 -13.439 7.580 7.936 1.00 0.00 C ATOM 562 CD PRO A 39 -13.591 6.392 7.001 1.00 0.00 C ATOM 0 HA PRO A 39 -13.857 8.965 4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.645 9.521 7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.380 9.384 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.512 7.502 8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.255 7.604 8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.776 5.679 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.519 5.853 7.193 1.00 0.00 H new ATOM 570 N GLN A 40 -10.920 7.723 5.605 1.00 0.00 N ATOM 571 CA GLN A 40 -9.523 7.806 5.212 1.00 0.00 C ATOM 572 C GLN A 40 -9.363 7.428 3.738 1.00 0.00 C ATOM 573 O GLN A 40 -8.803 8.193 2.955 1.00 0.00 O ATOM 574 CB GLN A 40 -8.650 6.919 6.103 1.00 0.00 C ATOM 575 CG GLN A 40 -7.351 6.538 5.391 1.00 0.00 C ATOM 576 CD GLN A 40 -6.173 6.529 6.368 1.00 0.00 C ATOM 577 OE1 GLN A 40 -6.003 7.420 7.184 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.372 5.475 6.240 1.00 0.00 N ATOM 0 H GLN A 40 -11.141 6.953 6.237 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.190 8.836 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.420 7.443 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.199 6.017 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.457 5.554 4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.154 7.244 4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.572 4.765 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.558 5.377 6.846 1.00 0.00 H new ATOM 587 N LYS A 41 -9.866 6.248 3.404 1.00 0.00 N ATOM 588 CA LYS A 41 -9.785 5.760 2.038 1.00 0.00 C ATOM 589 C LYS A 41 -9.983 6.929 1.071 1.00 0.00 C ATOM 590 O LYS A 41 -9.158 7.155 0.187 1.00 0.00 O ATOM 591 CB LYS A 41 -10.770 4.610 1.822 1.00 0.00 C ATOM 592 CG LYS A 41 -10.897 4.269 0.335 1.00 0.00 C ATOM 593 CD LYS A 41 -12.121 3.387 0.078 1.00 0.00 C ATOM 594 CE LYS A 41 -13.403 4.079 0.542 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.579 3.515 -0.157 1.00 0.00 N ATOM 0 H LYS A 41 -10.331 5.616 4.056 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.797 5.345 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.435 3.731 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.747 4.883 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.977 5.187 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.997 3.755 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.192 3.158 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.006 2.438 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.520 3.957 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.336 5.149 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.441 3.996 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.473 3.654 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.651 2.498 0.049 1.00 0.00 H new ATOM 609 N ASN A 42 -11.083 7.641 1.271 1.00 0.00 N ATOM 610 CA ASN A 42 -11.399 8.781 0.427 1.00 0.00 C ATOM 611 C ASN A 42 -10.220 9.756 0.430 1.00 0.00 C ATOM 612 O ASN A 42 -9.735 10.152 -0.628 1.00 0.00 O ATOM 613 CB ASN A 42 -12.630 9.527 0.948 1.00 0.00 C ATOM 614 CG ASN A 42 -13.919 8.892 0.423 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.406 9.211 -0.649 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.441 7.978 1.235 1.00 0.00 N ATOM 0 H ASN A 42 -11.766 7.451 2.004 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.599 8.411 -0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.632 9.515 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.584 10.572 0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.301 7.496 0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.981 7.759 2.119 1.00 0.00 H new ATOM 623 N ARG A 43 -9.792 10.114 1.632 1.00 0.00 N ATOM 624 CA ARG A 43 -8.679 11.035 1.787 1.00 0.00 C ATOM 625 C ARG A 43 -7.490 10.577 0.939 1.00 0.00 C ATOM 626 O ARG A 43 -6.817 11.396 0.315 1.00 0.00 O ATOM 627 CB ARG A 43 -8.245 11.133 3.251 1.00 0.00 C ATOM 628 CG ARG A 43 -9.240 11.963 4.063 1.00 0.00 C ATOM 629 CD ARG A 43 -8.625 13.298 4.487 1.00 0.00 C ATOM 630 NE ARG A 43 -9.611 14.089 5.255 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.936 13.848 6.533 1.00 0.00 C ATOM 632 NH1 ARG A 43 -9.356 12.836 7.193 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.843 14.618 7.150 1.00 0.00 N ATOM 0 H ARG A 43 -10.196 9.783 2.508 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.012 12.017 1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.166 10.133 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.255 11.585 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.137 12.144 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.549 11.404 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.736 13.122 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.305 13.856 3.607 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.072 14.866 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.667 12.249 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.604 12.653 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.286 15.387 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.091 14.435 8.122 1.00 0.00 H new ATOM 647 N ILE A 44 -7.269 9.271 0.944 1.00 0.00 N ATOM 648 CA ILE A 44 -6.173 8.695 0.183 1.00 0.00 C ATOM 649 C ILE A 44 -6.470 8.829 -1.312 1.00 0.00 C ATOM 650 O ILE A 44 -5.668 9.386 -2.060 1.00 0.00 O ATOM 651 CB ILE A 44 -5.909 7.255 0.630 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.036 7.121 2.149 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.552 6.764 0.123 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.478 8.357 2.857 1.00 0.00 C ATOM 0 H ILE A 44 -7.830 8.595 1.463 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.248 9.239 0.375 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.670 6.614 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.083 6.984 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.501 6.233 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.389 5.738 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.536 6.800 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.763 7.403 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.581 8.236 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.425 8.477 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.031 9.240 2.537 1.00 0.00 H new ATOM 666 N LEU A 45 -7.625 8.310 -1.703 1.00 0.00 N ATOM 667 CA LEU A 45 -8.037 8.366 -3.095 1.00 0.00 C ATOM 668 C LEU A 45 -7.745 9.760 -3.654 1.00 0.00 C ATOM 669 O LEU A 45 -7.184 9.892 -4.740 1.00 0.00 O ATOM 670 CB LEU A 45 -9.500 7.940 -3.238 1.00 0.00 C ATOM 671 CG LEU A 45 -9.825 6.505 -2.816 1.00 0.00 C ATOM 672 CD1 LEU A 45 -11.337 6.292 -2.717 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.164 5.495 -3.756 1.00 0.00 C ATOM 0 H LEU A 45 -8.288 7.849 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.462 7.657 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.115 8.619 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.795 8.067 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.411 6.339 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.541 5.265 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.753 6.976 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.796 6.483 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.410 4.483 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.527 5.651 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.083 5.630 -3.733 1.00 0.00 H new ATOM 685 N GLU A 46 -8.139 10.765 -2.885 1.00 0.00 N ATOM 686 CA GLU A 46 -7.927 12.144 -3.290 1.00 0.00 C ATOM 687 C GLU A 46 -6.430 12.451 -3.364 1.00 0.00 C ATOM 688 O GLU A 46 -5.911 12.775 -4.431 1.00 0.00 O ATOM 689 CB GLU A 46 -8.638 13.110 -2.341 1.00 0.00 C ATOM 690 CG GLU A 46 -10.062 12.636 -2.041 1.00 0.00 C ATOM 691 CD GLU A 46 -11.095 13.611 -2.610 1.00 0.00 C ATOM 692 OE1 GLU A 46 -11.123 13.748 -3.852 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.834 14.197 -1.789 1.00 0.00 O ATOM 0 H GLU A 46 -8.604 10.651 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.356 12.280 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.075 13.192 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.668 14.105 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.217 11.645 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.199 12.543 -0.964 1.00 0.00 H new ATOM 700 N GLU A 47 -5.778 12.338 -2.216 1.00 0.00 N ATOM 701 CA GLU A 47 -4.350 12.600 -2.137 1.00 0.00 C ATOM 702 C GLU A 47 -3.636 12.020 -3.360 1.00 0.00 C ATOM 703 O GLU A 47 -2.811 12.691 -3.978 1.00 0.00 O ATOM 704 CB GLU A 47 -3.761 12.040 -0.841 1.00 0.00 C ATOM 705 CG GLU A 47 -4.041 12.975 0.337 1.00 0.00 C ATOM 706 CD GLU A 47 -3.162 14.225 0.266 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.510 14.402 -0.786 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.162 14.976 1.265 1.00 0.00 O ATOM 0 H GLU A 47 -6.212 12.069 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.198 13.679 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.186 11.057 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.685 11.905 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.092 13.264 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.857 12.450 1.274 1.00 0.00 H new ATOM 715 N ILE A 48 -3.979 10.779 -3.672 1.00 0.00 N ATOM 716 CA ILE A 48 -3.381 10.100 -4.810 1.00 0.00 C ATOM 717 C ILE A 48 -3.730 10.859 -6.091 1.00 0.00 C ATOM 718 O ILE A 48 -2.870 11.071 -6.945 1.00 0.00 O ATOM 719 CB ILE A 48 -3.796 8.628 -4.834 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.444 7.937 -3.516 1.00 0.00 C ATOM 721 CG2 ILE A 48 -3.189 7.907 -6.040 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.154 6.587 -3.397 1.00 0.00 C ATOM 0 H ILE A 48 -4.664 10.225 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.294 10.099 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.880 8.580 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.366 7.791 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.727 8.576 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.500 6.862 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.533 8.382 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.102 7.963 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.886 6.117 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.233 6.739 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.850 5.942 -4.221 1.00 0.00 H new ATOM 734 N GLU A 49 -4.993 11.248 -6.186 1.00 0.00 N ATOM 735 CA GLU A 49 -5.467 11.978 -7.349 1.00 0.00 C ATOM 736 C GLU A 49 -4.920 13.407 -7.337 1.00 0.00 C ATOM 737 O GLU A 49 -4.944 14.094 -8.358 1.00 0.00 O ATOM 738 CB GLU A 49 -6.995 11.977 -7.413 1.00 0.00 C ATOM 739 CG GLU A 49 -7.540 10.549 -7.479 1.00 0.00 C ATOM 740 CD GLU A 49 -8.104 10.241 -8.868 1.00 0.00 C ATOM 741 OE1 GLU A 49 -7.302 9.809 -9.723 1.00 0.00 O ATOM 742 OE2 GLU A 49 -9.325 10.444 -9.042 1.00 0.00 O ATOM 0 H GLU A 49 -5.703 11.071 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.099 11.475 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.400 12.484 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.326 12.537 -8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.746 9.842 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.320 10.419 -6.729 1.00 0.00 H new ATOM 749 N LYS A 50 -4.439 13.813 -6.171 1.00 0.00 N ATOM 750 CA LYS A 50 -3.886 15.147 -6.013 1.00 0.00 C ATOM 751 C LYS A 50 -2.365 15.087 -6.166 1.00 0.00 C ATOM 752 O LYS A 50 -1.724 16.101 -6.437 1.00 0.00 O ATOM 753 CB LYS A 50 -4.348 15.765 -4.692 1.00 0.00 C ATOM 754 CG LYS A 50 -3.179 15.905 -3.714 1.00 0.00 C ATOM 755 CD LYS A 50 -3.661 16.408 -2.352 1.00 0.00 C ATOM 756 CE LYS A 50 -4.500 17.678 -2.502 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.129 18.670 -1.467 1.00 0.00 N ATOM 0 H LYS A 50 -4.421 13.241 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.258 15.808 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.790 16.744 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.126 15.144 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.682 14.942 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.441 16.596 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.252 15.634 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.803 16.608 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.350 18.105 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.559 17.434 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.708 19.526 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.295 18.266 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.123 18.916 -1.567 1.00 0.00 H new ATOM 771 N SER A 51 -1.832 13.888 -5.984 1.00 0.00 N ATOM 772 CA SER A 51 -0.398 13.681 -6.098 1.00 0.00 C ATOM 773 C SER A 51 -0.013 13.478 -7.565 1.00 0.00 C ATOM 774 O SER A 51 -0.652 12.703 -8.276 1.00 0.00 O ATOM 775 CB SER A 51 0.055 12.484 -5.260 1.00 0.00 C ATOM 776 OG SER A 51 1.436 12.564 -4.918 1.00 0.00 O ATOM 0 H SER A 51 -2.367 13.050 -5.758 1.00 0.00 H new ATOM 0 HA SER A 51 0.106 14.569 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.542 12.432 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.129 11.563 -5.814 1.00 0.00 H new ATOM 0 HG SER A 51 1.971 12.123 -5.611 1.00 0.00 H new ATOM 782 N LYS A 52 1.028 14.187 -7.975 1.00 0.00 N ATOM 783 CA LYS A 52 1.505 14.093 -9.344 1.00 0.00 C ATOM 784 C LYS A 52 2.589 13.018 -9.429 1.00 0.00 C ATOM 785 O LYS A 52 3.404 13.024 -10.351 1.00 0.00 O ATOM 786 CB LYS A 52 1.958 15.465 -9.848 1.00 0.00 C ATOM 787 CG LYS A 52 2.381 15.397 -11.317 1.00 0.00 C ATOM 788 CD LYS A 52 1.644 16.449 -12.149 1.00 0.00 C ATOM 789 CE LYS A 52 2.484 16.884 -13.351 1.00 0.00 C ATOM 790 NZ LYS A 52 3.449 17.935 -12.956 1.00 0.00 N ATOM 0 H LYS A 52 1.555 14.829 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 52 0.698 13.785 -10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.148 16.185 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.791 15.822 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.457 15.553 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.173 14.403 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.692 16.044 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.416 17.315 -11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.018 16.026 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.833 17.258 -14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.011 18.219 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.933 18.760 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.082 17.566 -12.218 1.00 0.00 H new ATOM 804 N ALA A 53 2.565 12.119 -8.456 1.00 0.00 N ATOM 805 CA ALA A 53 3.536 11.039 -8.410 1.00 0.00 C ATOM 806 C ALA A 53 3.031 9.869 -9.256 1.00 0.00 C ATOM 807 O ALA A 53 1.830 9.735 -9.484 1.00 0.00 O ATOM 808 CB ALA A 53 3.787 10.640 -6.954 1.00 0.00 C ATOM 0 H ALA A 53 1.888 12.116 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 53 4.489 11.362 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.515 9.830 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.172 11.498 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.853 10.308 -6.502 1.00 0.00 H new ATOM 814 N ASN A 54 3.974 9.051 -9.700 1.00 0.00 N ATOM 815 CA ASN A 54 3.640 7.896 -10.517 1.00 0.00 C ATOM 816 C ASN A 54 3.973 6.618 -9.745 1.00 0.00 C ATOM 817 O ASN A 54 3.713 5.515 -10.223 1.00 0.00 O ATOM 818 CB ASN A 54 4.448 7.888 -11.816 1.00 0.00 C ATOM 819 CG ASN A 54 3.928 8.945 -12.792 1.00 0.00 C ATOM 820 OD1 ASN A 54 3.052 8.699 -13.605 1.00 0.00 O ATOM 821 ND2 ASN A 54 4.514 10.133 -12.666 1.00 0.00 N ATOM 0 H ASN A 54 4.970 9.165 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 54 2.577 7.946 -10.754 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.499 8.077 -11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.391 6.902 -12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.236 10.906 -13.271 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.241 10.271 -11.964 1.00 0.00 H new ATOM 828 N HIS A 55 4.544 6.809 -8.565 1.00 0.00 N ATOM 829 CA HIS A 55 4.916 5.685 -7.722 1.00 0.00 C ATOM 830 C HIS A 55 4.261 5.835 -6.348 1.00 0.00 C ATOM 831 O HIS A 55 4.427 6.858 -5.686 1.00 0.00 O ATOM 832 CB HIS A 55 6.437 5.545 -7.642 1.00 0.00 C ATOM 833 CG HIS A 55 6.911 4.142 -7.350 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.224 3.741 -7.526 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.234 3.050 -6.891 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.321 2.464 -7.187 1.00 0.00 C ATOM 837 NE2 HIS A 55 7.086 2.037 -6.794 1.00 0.00 N ATOM 0 H HIS A 55 4.758 7.726 -8.172 1.00 0.00 H new ATOM 0 HA HIS A 55 4.547 4.758 -8.162 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.872 5.875 -8.585 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.813 6.213 -6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.182 3.016 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.220 1.866 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.856 1.095 -6.478 1.00 0.00 H new ATOM 845 N PHE A 56 3.530 4.800 -5.960 1.00 0.00 N ATOM 846 CA PHE A 56 2.849 4.804 -4.676 1.00 0.00 C ATOM 847 C PHE A 56 2.994 3.453 -3.974 1.00 0.00 C ATOM 848 O PHE A 56 2.638 2.417 -4.534 1.00 0.00 O ATOM 849 CB PHE A 56 1.367 5.063 -4.957 1.00 0.00 C ATOM 850 CG PHE A 56 1.076 6.451 -5.532 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.989 7.526 -4.703 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.904 6.609 -6.872 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.719 8.814 -5.237 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.634 7.897 -7.406 1.00 0.00 C ATOM 855 CZ PHE A 56 0.547 8.972 -6.577 1.00 0.00 C ATOM 0 H PHE A 56 3.394 3.953 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 56 3.280 5.567 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.003 4.308 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.805 4.939 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.125 7.400 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.973 5.755 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.650 9.668 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.498 8.023 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.341 9.951 -6.983 1.00 0.00 H new ATOM 865 N LEU A 57 3.517 3.506 -2.758 1.00 0.00 N ATOM 866 CA LEU A 57 3.714 2.299 -1.974 1.00 0.00 C ATOM 867 C LEU A 57 2.742 2.300 -0.792 1.00 0.00 C ATOM 868 O LEU A 57 2.156 3.331 -0.467 1.00 0.00 O ATOM 869 CB LEU A 57 5.181 2.160 -1.564 1.00 0.00 C ATOM 870 CG LEU A 57 6.127 1.607 -2.632 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.747 2.738 -3.454 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.192 0.703 -2.007 1.00 0.00 C ATOM 0 H LEU A 57 3.811 4.367 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 57 3.489 1.415 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.546 3.140 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.233 1.511 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 57 5.545 0.992 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.415 2.318 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.957 3.305 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.311 3.399 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.851 0.323 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.776 1.274 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.709 -0.133 -1.502 1.00 0.00 H new ATOM 884 N ILE A 58 2.602 1.132 -0.182 1.00 0.00 N ATOM 885 CA ILE A 58 1.712 0.986 0.957 1.00 0.00 C ATOM 886 C ILE A 58 2.538 0.687 2.210 1.00 0.00 C ATOM 887 O ILE A 58 3.402 -0.189 2.194 1.00 0.00 O ATOM 888 CB ILE A 58 0.637 -0.063 0.665 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.340 0.435 -0.403 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.082 -0.484 1.948 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.570 -0.632 -1.475 1.00 0.00 C ATOM 0 H ILE A 58 3.090 0.279 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 58 1.176 1.917 1.143 1.00 0.00 H new ATOM 0 HB ILE A 58 1.127 -0.951 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.290 0.699 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.051 1.341 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.841 -1.230 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.639 -0.908 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.557 0.386 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.268 -0.253 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.378 -0.876 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.984 -1.528 -1.013 1.00 0.00 H new ATOM 903 N LEU A 59 2.244 1.432 3.265 1.00 0.00 N ATOM 904 CA LEU A 59 2.948 1.258 4.524 1.00 0.00 C ATOM 905 C LEU A 59 2.090 0.419 5.472 1.00 0.00 C ATOM 906 O LEU A 59 1.054 0.878 5.949 1.00 0.00 O ATOM 907 CB LEU A 59 3.356 2.615 5.102 1.00 0.00 C ATOM 908 CG LEU A 59 4.273 2.575 6.325 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.680 2.111 5.940 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.292 3.927 7.041 1.00 0.00 C ATOM 0 H LEU A 59 1.527 2.158 3.274 1.00 0.00 H new ATOM 0 HA LEU A 59 3.878 0.711 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.853 3.187 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.451 3.161 5.369 1.00 0.00 H new ATOM 0 HG LEU A 59 3.873 1.844 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.312 2.091 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.628 1.111 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.103 2.800 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.952 3.871 7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.654 4.695 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.284 4.179 7.369 1.00 0.00 H new ATOM 922 N PHE A 60 2.554 -0.798 5.717 1.00 0.00 N ATOM 923 CA PHE A 60 1.842 -1.706 6.600 1.00 0.00 C ATOM 924 C PHE A 60 2.334 -1.568 8.042 1.00 0.00 C ATOM 925 O PHE A 60 3.252 -0.797 8.317 1.00 0.00 O ATOM 926 CB PHE A 60 2.131 -3.126 6.109 1.00 0.00 C ATOM 927 CG PHE A 60 1.454 -3.476 4.782 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.098 -3.562 4.713 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.207 -3.700 3.672 1.00 0.00 C ATOM 930 CE1 PHE A 60 -0.530 -3.886 3.481 1.00 0.00 C ATOM 931 CE2 PHE A 60 1.579 -4.024 2.441 1.00 0.00 C ATOM 932 CZ PHE A 60 0.223 -4.111 2.371 1.00 0.00 C ATOM 0 H PHE A 60 3.414 -1.176 5.319 1.00 0.00 H new ATOM 0 HA PHE A 60 0.776 -1.479 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.208 -3.249 5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.805 -3.836 6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.500 -3.384 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.283 -3.631 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.606 -3.954 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.178 -4.201 1.560 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.255 -4.359 1.435 1.00 0.00 H new ATOM 942 N ARG A 61 1.703 -2.328 8.925 1.00 0.00 N ATOM 943 CA ARG A 61 2.065 -2.300 10.331 1.00 0.00 C ATOM 944 C ARG A 61 3.375 -3.059 10.557 1.00 0.00 C ATOM 945 O ARG A 61 4.169 -2.690 11.421 1.00 0.00 O ATOM 946 CB ARG A 61 0.967 -2.924 11.196 1.00 0.00 C ATOM 947 CG ARG A 61 -0.225 -1.976 11.335 1.00 0.00 C ATOM 948 CD ARG A 61 -0.005 -0.981 12.476 1.00 0.00 C ATOM 949 NE ARG A 61 -0.978 -1.234 13.562 1.00 0.00 N ATOM 950 CZ ARG A 61 -0.749 -2.047 14.602 1.00 0.00 C ATOM 951 NH1 ARG A 61 0.422 -2.691 14.704 1.00 0.00 N ATOM 952 NH2 ARG A 61 -1.690 -2.216 15.541 1.00 0.00 N ATOM 0 H ARG A 61 0.943 -2.967 8.693 1.00 0.00 H new ATOM 0 HA ARG A 61 2.190 -1.256 10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.639 -3.864 10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.366 -3.160 12.183 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.375 -1.435 10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.132 -2.551 11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.012 -1.073 12.859 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.116 0.039 12.107 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.880 -0.760 13.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.139 -2.562 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.596 -3.310 15.496 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.581 -1.726 15.464 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.515 -2.835 16.333 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.889 -4.155 7.638 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.924 -3.155 7.439 1.00 0.00 C ATOM 1013 C GLN A 66 -2.296 -1.806 7.082 1.00 0.00 C ATOM 1014 O GLN A 66 -1.319 -1.389 7.702 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.816 -3.034 8.676 1.00 0.00 C ATOM 1016 CG GLN A 66 -4.763 -4.231 8.788 1.00 0.00 C ATOM 1017 CD GLN A 66 -6.182 -3.776 9.134 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -6.400 -2.928 9.983 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -7.132 -4.385 8.430 1.00 0.00 N ATOM 0 HA GLN A 66 -3.554 -3.473 6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.197 -2.971 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.394 -2.112 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.773 -4.781 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.400 -4.916 9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.880 -5.087 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.112 -4.150 8.586 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.883 -1.161 6.085 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.394 0.132 5.638 1.00 0.00 C ATOM 1030 C PHE A 67 -2.238 1.096 6.816 1.00 0.00 C ATOM 1031 O PHE A 67 -3.093 1.145 7.700 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.435 0.694 4.669 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.109 2.097 4.151 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.168 3.163 4.993 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.762 2.277 2.848 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.867 4.465 4.512 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.460 3.578 2.367 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.519 4.645 3.209 1.00 0.00 C ATOM 0 H PHE A 67 -3.694 -1.510 5.574 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.419 0.017 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.529 0.017 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.404 0.718 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.444 3.020 6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.716 1.430 2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.914 5.312 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.183 3.721 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.290 5.635 2.843 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.141 1.839 6.792 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.863 2.798 7.846 1.00 0.00 C ATOM 1050 C ARG A 68 -0.766 4.211 7.267 1.00 0.00 C ATOM 1051 O ARG A 68 -1.282 5.162 7.851 1.00 0.00 O ATOM 1052 CB ARG A 68 0.443 2.460 8.568 1.00 0.00 C ATOM 1053 CG ARG A 68 0.167 1.763 9.902 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.514 2.715 10.888 1.00 0.00 C ATOM 1055 NE ARG A 68 -0.076 2.411 12.269 1.00 0.00 N ATOM 1056 CZ ARG A 68 -0.695 2.861 13.369 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -1.781 3.638 13.257 1.00 0.00 N ATOM 1058 NH2 ARG A 68 -0.227 2.535 14.582 1.00 0.00 N ATOM 0 H ARG A 68 -0.434 1.796 6.058 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.684 2.750 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.056 1.816 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.014 3.372 8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.466 0.891 9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.103 1.401 10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.268 3.747 10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.597 2.618 10.811 1.00 0.00 H new ATOM 0 HE ARG A 68 0.748 1.822 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.137 3.887 12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.252 3.980 14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.600 1.944 14.668 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.698 2.878 15.419 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.101 4.303 6.124 1.00 0.00 N ATOM 1073 CA ALA A 69 0.070 5.584 5.459 1.00 0.00 C ATOM 1074 C ALA A 69 0.660 5.355 4.067 1.00 0.00 C ATOM 1075 O ALA A 69 1.545 4.519 3.893 1.00 0.00 O ATOM 1076 CB ALA A 69 0.946 6.494 6.322 1.00 0.00 C ATOM 0 H ALA A 69 0.325 3.512 5.642 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.891 6.083 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.074 7.455 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.468 6.648 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.921 6.028 6.469 1.00 0.00 H new ATOM 1082 N LEU A 70 0.147 6.114 3.109 1.00 0.00 N ATOM 1083 CA LEU A 70 0.612 6.004 1.737 1.00 0.00 C ATOM 1084 C LEU A 70 1.845 6.890 1.549 1.00 0.00 C ATOM 1085 O LEU A 70 2.014 7.883 2.255 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.524 6.315 0.760 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.232 6.039 -0.717 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.428 4.558 -1.047 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -1.073 6.944 -1.620 1.00 0.00 C ATOM 0 H LEU A 70 -0.586 6.808 3.256 1.00 0.00 H new ATOM 0 HA LEU A 70 0.918 4.981 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.398 5.733 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.791 7.366 0.867 1.00 0.00 H new ATOM 0 HG LEU A 70 0.815 6.276 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.214 4.389 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.248 3.957 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.458 4.271 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.847 6.728 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.131 6.762 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.841 7.987 -1.407 1.00 0.00 H new ATOM 1101 N TYR A 71 2.675 6.499 0.594 1.00 0.00 N ATOM 1102 CA TYR A 71 3.888 7.245 0.304 1.00 0.00 C ATOM 1103 C TYR A 71 4.233 7.174 -1.185 1.00 0.00 C ATOM 1104 O TYR A 71 3.929 6.184 -1.849 1.00 0.00 O ATOM 1105 CB TYR A 71 5.001 6.570 1.107 1.00 0.00 C ATOM 1106 CG TYR A 71 4.964 6.879 2.605 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.012 6.286 3.408 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.882 7.752 3.152 1.00 0.00 C ATOM 1109 CE1 TYR A 71 3.977 6.577 4.818 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.847 8.043 4.562 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.896 7.442 5.325 1.00 0.00 C ATOM 1112 OH TYR A 71 4.863 7.717 6.657 1.00 0.00 O ATOM 0 H TYR A 71 2.532 5.675 0.010 1.00 0.00 H new ATOM 0 HA TYR A 71 3.764 8.296 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.932 5.491 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.965 6.883 0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.293 5.604 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.627 8.217 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.238 6.119 5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.560 8.723 5.003 1.00 0.00 H new ATOM 0 HH TYR A 71 5.040 8.670 6.799 1.00 0.00 H new ATOM 1122 N THR A 72 4.865 8.235 -1.665 1.00 0.00 N ATOM 1123 CA THR A 72 5.255 8.305 -3.063 1.00 0.00 C ATOM 1124 C THR A 72 6.771 8.152 -3.202 1.00 0.00 C ATOM 1125 O THR A 72 7.532 8.849 -2.532 1.00 0.00 O ATOM 1126 CB THR A 72 4.721 9.618 -3.638 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.859 10.548 -2.566 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.214 9.573 -3.900 1.00 0.00 C ATOM 0 H THR A 72 5.117 9.053 -1.111 1.00 0.00 H new ATOM 0 HA THR A 72 4.823 7.484 -3.636 1.00 0.00 H new ATOM 0 HB THR A 72 5.244 9.847 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.537 11.428 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.887 10.530 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.992 8.780 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.688 9.378 -2.966 1.00 0.00 H new ATOM 1136 N LEU A 73 7.164 7.237 -4.075 1.00 0.00 N ATOM 1137 CA LEU A 73 8.575 6.985 -4.310 1.00 0.00 C ATOM 1138 C LEU A 73 9.114 8.013 -5.307 1.00 0.00 C ATOM 1139 O LEU A 73 8.462 8.316 -6.305 1.00 0.00 O ATOM 1140 CB LEU A 73 8.795 5.534 -4.744 1.00 0.00 C ATOM 1141 CG LEU A 73 10.202 5.187 -5.236 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.266 5.715 -4.272 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.342 3.683 -5.478 1.00 0.00 C ATOM 0 H LEU A 73 6.530 6.661 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 73 9.142 7.108 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.555 4.884 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.086 5.302 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 73 10.362 5.683 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.256 5.455 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.181 6.799 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.120 5.268 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.351 3.463 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.154 3.146 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.620 3.367 -6.231 1.00 0.00 H new ATOM 1155 N SER A 74 10.299 8.522 -5.001 1.00 0.00 N ATOM 1156 CA SER A 74 10.932 9.510 -5.858 1.00 0.00 C ATOM 1157 C SER A 74 11.656 8.814 -7.012 1.00 0.00 C ATOM 1158 O SER A 74 12.572 8.024 -6.790 1.00 0.00 O ATOM 1159 CB SER A 74 11.910 10.379 -5.065 1.00 0.00 C ATOM 1160 OG SER A 74 11.296 10.970 -3.923 1.00 0.00 O ATOM 0 H SER A 74 10.837 8.269 -4.172 1.00 0.00 H new ATOM 0 HA SER A 74 10.156 10.160 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.758 9.772 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.304 11.163 -5.711 1.00 0.00 H new ATOM 0 HG SER A 74 11.954 11.515 -3.443 1.00 0.00 H new ATOM 1166 N GLY A 75 11.217 9.134 -8.221 1.00 0.00 N ATOM 1167 CA GLY A 75 11.812 8.549 -9.411 1.00 0.00 C ATOM 1168 C GLY A 75 13.219 9.102 -9.650 1.00 0.00 C ATOM 1169 O GLY A 75 13.973 8.562 -10.457 1.00 0.00 O ATOM 0 H GLY A 75 10.457 9.790 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.857 7.465 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.183 8.758 -10.277 1.00 0.00 H new ATOM 1173 N GLU A 76 13.529 10.172 -8.932 1.00 0.00 N ATOM 1174 CA GLU A 76 14.832 10.803 -9.055 1.00 0.00 C ATOM 1175 C GLU A 76 15.863 10.065 -8.198 1.00 0.00 C ATOM 1176 O GLU A 76 17.044 10.025 -8.540 1.00 0.00 O ATOM 1177 CB GLU A 76 14.761 12.283 -8.673 1.00 0.00 C ATOM 1178 CG GLU A 76 14.381 12.453 -7.201 1.00 0.00 C ATOM 1179 CD GLU A 76 13.078 13.241 -7.058 1.00 0.00 C ATOM 1180 OE1 GLU A 76 12.017 12.636 -7.323 1.00 0.00 O ATOM 1181 OE2 GLU A 76 13.172 14.431 -6.688 1.00 0.00 O ATOM 0 H GLU A 76 12.900 10.617 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 76 15.146 10.744 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.725 12.757 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.029 12.790 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.271 11.474 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.182 12.969 -6.672 1.00 0.00 H new ATOM 1188 N THR A 77 15.378 9.499 -7.103 1.00 0.00 N ATOM 1189 CA THR A 77 16.243 8.764 -6.195 1.00 0.00 C ATOM 1190 C THR A 77 15.611 7.420 -5.828 1.00 0.00 C ATOM 1191 O THR A 77 14.910 6.817 -6.638 1.00 0.00 O ATOM 1192 CB THR A 77 16.524 9.656 -4.984 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.259 9.772 -4.338 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.873 11.091 -5.382 1.00 0.00 C ATOM 0 H THR A 77 14.398 9.534 -6.824 1.00 0.00 H new ATOM 0 HA THR A 77 17.196 8.521 -6.665 1.00 0.00 H new ATOM 0 HB THR A 77 17.343 9.232 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.349 10.334 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.063 11.681 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.764 11.088 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.041 11.528 -5.934 1.00 0.00 H new ATOM 1202 N GLU A 78 15.883 6.990 -4.604 1.00 0.00 N ATOM 1203 CA GLU A 78 15.350 5.728 -4.119 1.00 0.00 C ATOM 1204 C GLU A 78 14.534 5.952 -2.844 1.00 0.00 C ATOM 1205 O GLU A 78 13.973 5.009 -2.288 1.00 0.00 O ATOM 1206 CB GLU A 78 16.471 4.715 -3.882 1.00 0.00 C ATOM 1207 CG GLU A 78 17.385 4.611 -5.104 1.00 0.00 C ATOM 1208 CD GLU A 78 18.486 3.573 -4.880 1.00 0.00 C ATOM 1209 OE1 GLU A 78 19.521 3.960 -4.297 1.00 0.00 O ATOM 1210 OE2 GLU A 78 18.267 2.414 -5.296 1.00 0.00 O ATOM 0 H GLU A 78 16.465 7.493 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 78 14.689 5.317 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.055 5.011 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.042 3.738 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.797 4.339 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.833 5.583 -5.311 1.00 0.00 H new ATOM 1217 N GLU A 79 14.493 7.206 -2.418 1.00 0.00 N ATOM 1218 CA GLU A 79 13.755 7.566 -1.220 1.00 0.00 C ATOM 1219 C GLU A 79 12.276 7.777 -1.550 1.00 0.00 C ATOM 1220 O GLU A 79 11.909 7.906 -2.717 1.00 0.00 O ATOM 1221 CB GLU A 79 14.352 8.810 -0.560 1.00 0.00 C ATOM 1222 CG GLU A 79 15.727 8.507 0.039 1.00 0.00 C ATOM 1223 CD GLU A 79 16.765 8.274 -1.061 1.00 0.00 C ATOM 1224 OE1 GLU A 79 17.157 9.279 -1.694 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.143 7.097 -1.245 1.00 0.00 O ATOM 0 H GLU A 79 14.959 7.986 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 79 13.835 6.744 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.440 9.609 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.682 9.168 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.043 9.336 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.664 7.625 0.677 1.00 0.00 H new ATOM 1232 N LEU A 80 11.466 7.805 -0.502 1.00 0.00 N ATOM 1233 CA LEU A 80 10.036 7.999 -0.666 1.00 0.00 C ATOM 1234 C LEU A 80 9.636 9.350 -0.069 1.00 0.00 C ATOM 1235 O LEU A 80 10.496 10.153 0.287 1.00 0.00 O ATOM 1236 CB LEU A 80 9.264 6.815 -0.079 1.00 0.00 C ATOM 1237 CG LEU A 80 9.489 5.463 -0.760 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.969 4.415 0.246 1.00 0.00 C ATOM 1239 CD2 LEU A 80 8.233 5.009 -1.506 1.00 0.00 C ATOM 0 H LEU A 80 11.773 7.696 0.465 1.00 0.00 H new ATOM 0 HA LEU A 80 9.775 8.028 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.531 6.718 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.199 7.046 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 80 10.279 5.582 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.121 3.464 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.908 4.742 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.220 4.292 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.420 4.046 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.407 4.912 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.976 5.745 -2.268 1.00 0.00 H new ATOM 1251 N SER A 81 8.331 9.558 0.021 1.00 0.00 N ATOM 1252 CA SER A 81 7.807 10.797 0.568 1.00 0.00 C ATOM 1253 C SER A 81 6.441 10.550 1.212 1.00 0.00 C ATOM 1254 O SER A 81 5.585 9.888 0.625 1.00 0.00 O ATOM 1255 CB SER A 81 7.696 11.874 -0.513 1.00 0.00 C ATOM 1256 OG SER A 81 7.092 13.066 -0.020 1.00 0.00 O ATOM 0 H SER A 81 7.621 8.889 -0.276 1.00 0.00 H new ATOM 0 HA SER A 81 8.501 11.154 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.689 12.104 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.111 11.490 -1.348 1.00 0.00 H new ATOM 0 HG SER A 81 7.041 13.729 -0.740 1.00 0.00 H new ATOM 1262 N ARG A 82 6.279 11.093 2.409 1.00 0.00 N ATOM 1263 CA ARG A 82 5.031 10.939 3.138 1.00 0.00 C ATOM 1264 C ARG A 82 3.908 11.705 2.436 1.00 0.00 C ATOM 1265 O ARG A 82 3.788 12.919 2.591 1.00 0.00 O ATOM 1266 CB ARG A 82 5.166 11.449 4.574 1.00 0.00 C ATOM 1267 CG ARG A 82 3.844 11.311 5.332 1.00 0.00 C ATOM 1268 CD ARG A 82 3.789 12.275 6.519 1.00 0.00 C ATOM 1269 NE ARG A 82 2.410 12.781 6.696 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.096 13.874 7.404 1.00 0.00 C ATOM 1271 NH1 ARG A 82 3.061 14.583 8.005 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.817 14.259 7.511 1.00 0.00 N ATOM 0 H ARG A 82 6.991 11.640 2.893 1.00 0.00 H new ATOM 0 HA ARG A 82 4.790 9.876 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.946 10.889 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.477 12.494 4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.011 11.511 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.729 10.286 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.118 11.768 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.472 13.108 6.354 1.00 0.00 H new ATOM 0 HE ARG A 82 1.651 12.265 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.035 14.291 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.822 15.415 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.082 13.720 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.578 15.091 8.050 1.00 0.00 H new ATOM 1286 N LEU A 83 3.114 10.963 1.678 1.00 0.00 N ATOM 1287 CA LEU A 83 2.004 11.557 0.952 1.00 0.00 C ATOM 1288 C LEU A 83 0.888 11.914 1.936 1.00 0.00 C ATOM 1289 O LEU A 83 0.543 13.084 2.091 1.00 0.00 O ATOM 1290 CB LEU A 83 1.552 10.636 -0.183 1.00 0.00 C ATOM 1291 CG LEU A 83 0.358 11.122 -1.007 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.689 12.425 -1.737 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.126 10.033 -1.966 1.00 0.00 C ATOM 0 H LEU A 83 3.217 9.956 1.551 1.00 0.00 H new ATOM 0 HA LEU A 83 2.316 12.485 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.395 10.483 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.303 9.664 0.242 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.464 11.337 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.177 12.748 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.947 13.194 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.533 12.262 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.975 10.404 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.681 9.763 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.429 9.155 -1.396 1.00 0.00 H new ATOM 1305 N ALA A 84 0.355 10.883 2.575 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.715 11.072 3.540 1.00 0.00 C ATOM 1307 C ALA A 84 -0.584 10.029 4.651 1.00 0.00 C ATOM 1308 O ALA A 84 0.144 9.049 4.505 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.066 10.997 2.825 1.00 0.00 C ATOM 0 H ALA A 84 0.644 9.914 2.443 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.645 12.056 4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.869 11.139 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.120 11.777 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.173 10.021 2.351 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.302 10.276 5.738 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.275 9.370 6.873 1.00 0.00 C ATOM 1317 C GLY A 85 -0.355 9.899 7.975 1.00 0.00 C ATOM 1318 O GLY A 85 -0.104 11.101 8.055 1.00 0.00 O ATOM 0 H GLY A 85 -1.905 11.090 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.284 9.244 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.933 8.387 6.550 1.00 0.00 H new ATOM 1322 N TYR A 86 0.122 8.977 8.798 1.00 0.00 N ATOM 1323 CA TYR A 86 1.008 9.335 9.892 1.00 0.00 C ATOM 1324 C TYR A 86 2.227 8.411 9.936 1.00 0.00 C ATOM 1325 O TYR A 86 2.087 7.201 10.110 1.00 0.00 O ATOM 1326 CB TYR A 86 0.194 9.148 11.173 1.00 0.00 C ATOM 1327 CG TYR A 86 0.968 9.466 12.454 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.365 10.762 12.717 1.00 0.00 C ATOM 1329 CD2 TYR A 86 1.269 8.458 13.348 1.00 0.00 C ATOM 1330 CE1 TYR A 86 2.093 11.061 13.922 1.00 0.00 C ATOM 1331 CE2 TYR A 86 1.997 8.758 14.553 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.373 10.045 14.781 1.00 0.00 C ATOM 1333 OH TYR A 86 3.061 10.328 15.920 1.00 0.00 O ATOM 0 H TYR A 86 -0.089 7.981 8.729 1.00 0.00 H new ATOM 0 HA TYR A 86 1.371 10.356 9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.689 9.785 11.127 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.159 8.118 11.220 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.129 11.551 12.019 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.958 7.444 13.143 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.410 12.070 14.139 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.239 7.979 15.260 1.00 0.00 H new ATOM 0 HH TYR A 86 3.188 9.506 16.438 1.00 0.00 H new ATOM 1343 N GLY A 87 3.395 9.016 9.774 1.00 0.00 N ATOM 1344 CA GLY A 87 4.637 8.262 9.794 1.00 0.00 C ATOM 1345 C GLY A 87 5.842 9.187 9.617 1.00 0.00 C ATOM 1346 O GLY A 87 5.762 10.380 9.905 1.00 0.00 O ATOM 0 H GLY A 87 3.507 10.019 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.724 7.722 10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.627 7.516 8.999 1.00 0.00 H new ATOM 1350 N PRO A 88 6.961 8.586 9.131 1.00 0.00 N ATOM 1351 CA PRO A 88 8.182 9.343 8.912 1.00 0.00 C ATOM 1352 C PRO A 88 8.068 10.219 7.662 1.00 0.00 C ATOM 1353 O PRO A 88 7.705 9.734 6.591 1.00 0.00 O ATOM 1354 CB PRO A 88 9.280 8.297 8.805 1.00 0.00 C ATOM 1355 CG PRO A 88 8.576 6.984 8.504 1.00 0.00 C ATOM 1356 CD PRO A 88 7.094 7.176 8.778 1.00 0.00 C ATOM 0 HA PRO A 88 8.393 10.042 9.721 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.986 8.552 8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.849 8.232 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.738 6.693 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.978 6.184 9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.494 6.929 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.755 6.531 9.589 1.00 0.00 H new ATOM 1364 N ARG A 89 8.385 11.493 7.841 1.00 0.00 N ATOM 1365 CA ARG A 89 8.322 12.440 6.741 1.00 0.00 C ATOM 1366 C ARG A 89 8.779 11.776 5.441 1.00 0.00 C ATOM 1367 O ARG A 89 8.099 11.867 4.420 1.00 0.00 O ATOM 1368 CB ARG A 89 9.200 13.663 7.017 1.00 0.00 C ATOM 1369 CG ARG A 89 9.044 14.710 5.912 1.00 0.00 C ATOM 1370 CD ARG A 89 8.763 16.093 6.504 1.00 0.00 C ATOM 1371 NE ARG A 89 8.207 16.986 5.463 1.00 0.00 N ATOM 1372 CZ ARG A 89 8.136 18.319 5.575 1.00 0.00 C ATOM 1373 NH1 ARG A 89 8.586 18.922 6.684 1.00 0.00 N ATOM 1374 NH2 ARG A 89 7.616 19.049 4.579 1.00 0.00 N ATOM 0 H ARG A 89 8.686 11.891 8.731 1.00 0.00 H new ATOM 0 HA ARG A 89 7.286 12.765 6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.929 14.100 7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.244 13.357 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.951 14.746 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.230 14.423 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.061 16.007 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.682 16.519 6.907 1.00 0.00 H new ATOM 0 HE ARG A 89 7.856 16.559 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.982 18.366 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.532 19.937 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.274 18.590 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.562 20.064 4.665 1.00 0.00 H new ATOM 1388 N THR A 90 9.929 11.122 5.520 1.00 0.00 N ATOM 1389 CA THR A 90 10.485 10.442 4.363 1.00 0.00 C ATOM 1390 C THR A 90 10.887 9.011 4.726 1.00 0.00 C ATOM 1391 O THR A 90 10.925 8.653 5.902 1.00 0.00 O ATOM 1392 CB THR A 90 11.648 11.284 3.834 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.016 12.308 3.071 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.500 10.529 2.812 1.00 0.00 C ATOM 0 H THR A 90 10.491 11.049 6.368 1.00 0.00 H new ATOM 0 HA THR A 90 9.745 10.346 3.568 1.00 0.00 H new ATOM 0 HB THR A 90 12.276 11.600 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.698 12.902 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.311 11.171 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.917 9.635 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.880 10.242 1.963 1.00 0.00 H new ATOM 1402 N VAL A 91 11.175 8.232 3.695 1.00 0.00 N ATOM 1403 CA VAL A 91 11.573 6.848 3.891 1.00 0.00 C ATOM 1404 C VAL A 91 12.662 6.487 2.879 1.00 0.00 C ATOM 1405 O VAL A 91 12.566 6.840 1.705 1.00 0.00 O ATOM 1406 CB VAL A 91 10.348 5.935 3.802 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.757 4.462 3.875 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.330 6.276 4.892 1.00 0.00 C ATOM 0 H VAL A 91 11.141 8.532 2.721 1.00 0.00 H new ATOM 0 HA VAL A 91 11.995 6.709 4.886 1.00 0.00 H new ATOM 0 HB VAL A 91 9.873 6.104 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.868 3.834 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.428 4.229 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.267 4.272 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.469 5.613 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.790 6.149 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.004 7.310 4.775 1.00 0.00 H new ATOM 1418 N THR A 92 13.674 5.787 3.372 1.00 0.00 N ATOM 1419 CA THR A 92 14.780 5.374 2.525 1.00 0.00 C ATOM 1420 C THR A 92 14.766 3.856 2.332 1.00 0.00 C ATOM 1421 O THR A 92 14.118 3.137 3.090 1.00 0.00 O ATOM 1422 CB THR A 92 16.075 5.895 3.152 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.170 5.192 4.388 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.976 7.365 3.566 1.00 0.00 C ATOM 0 H THR A 92 13.751 5.496 4.347 1.00 0.00 H new ATOM 0 HA THR A 92 14.692 5.798 1.525 1.00 0.00 H new ATOM 0 HB THR A 92 16.895 5.772 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.983 5.468 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.921 7.684 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.758 7.976 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.178 7.484 4.298 1.00 0.00 H new ATOM 1432 N PRO A 93 15.509 3.403 1.287 1.00 0.00 N ATOM 1433 CA PRO A 93 15.588 1.984 0.985 1.00 0.00 C ATOM 1434 C PRO A 93 16.491 1.260 1.985 1.00 0.00 C ATOM 1435 O PRO A 93 16.571 0.033 1.979 1.00 0.00 O ATOM 1436 CB PRO A 93 16.106 1.914 -0.443 1.00 0.00 C ATOM 1437 CG PRO A 93 16.736 3.269 -0.724 1.00 0.00 C ATOM 1438 CD PRO A 93 16.290 4.227 0.368 1.00 0.00 C ATOM 0 HA PRO A 93 14.625 1.481 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.837 1.113 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.296 1.707 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.823 3.188 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.429 3.637 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.144 4.680 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.691 5.042 -0.040 1.00 0.00 H new ATOM 1446 N ALA A 94 17.149 2.051 2.820 1.00 0.00 N ATOM 1447 CA ALA A 94 18.044 1.501 3.824 1.00 0.00 C ATOM 1448 C ALA A 94 17.243 1.159 5.082 1.00 0.00 C ATOM 1449 O ALA A 94 17.710 0.404 5.933 1.00 0.00 O ATOM 1450 CB ALA A 94 19.172 2.496 4.103 1.00 0.00 C ATOM 0 H ALA A 94 17.080 3.069 2.822 1.00 0.00 H new ATOM 0 HA ALA A 94 18.504 0.580 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.843 2.083 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.728 2.682 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.749 3.432 4.468 1.00 0.00 H new ATOM 1456 N MET A 95 16.051 1.731 5.159 1.00 0.00 N ATOM 1457 CA MET A 95 15.180 1.496 6.299 1.00 0.00 C ATOM 1458 C MET A 95 14.162 0.397 5.994 1.00 0.00 C ATOM 1459 O MET A 95 13.677 -0.275 6.903 1.00 0.00 O ATOM 1460 CB MET A 95 14.445 2.790 6.655 1.00 0.00 C ATOM 1461 CG MET A 95 15.331 3.711 7.495 1.00 0.00 C ATOM 1462 SD MET A 95 14.333 4.612 8.670 1.00 0.00 S ATOM 1463 CE MET A 95 12.976 5.097 7.617 1.00 0.00 C ATOM 0 H MET A 95 15.667 2.357 4.451 1.00 0.00 H new ATOM 0 HA MET A 95 15.793 1.173 7.140 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.143 3.304 5.742 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.534 2.555 7.205 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.085 3.125 8.020 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.863 4.408 6.847 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.451 5.941 8.065 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.360 5.387 6.639 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.287 4.260 7.503 1.00 0.00 H new ATOM 1473 N VAL A 96 13.867 0.246 4.711 1.00 0.00 N ATOM 1474 CA VAL A 96 12.915 -0.760 4.274 1.00 0.00 C ATOM 1475 C VAL A 96 13.420 -2.145 4.683 1.00 0.00 C ATOM 1476 O VAL A 96 14.583 -2.478 4.456 1.00 0.00 O ATOM 1477 CB VAL A 96 12.671 -0.633 2.769 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.902 -1.074 1.975 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.432 -1.424 2.345 1.00 0.00 C ATOM 0 H VAL A 96 14.271 0.805 3.959 1.00 0.00 H new ATOM 0 HA VAL A 96 11.951 -0.609 4.759 1.00 0.00 H new ATOM 0 HB VAL A 96 12.488 0.418 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.702 -0.974 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.753 -0.448 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.130 -2.115 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.282 -1.316 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.572 -2.477 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.558 -1.043 2.874 1.00 0.00 H new ATOM 1489 N GLU A 97 12.522 -2.916 5.278 1.00 0.00 N ATOM 1490 CA GLU A 97 12.863 -4.258 5.720 1.00 0.00 C ATOM 1491 C GLU A 97 12.585 -5.270 4.607 1.00 0.00 C ATOM 1492 O GLU A 97 13.420 -6.125 4.318 1.00 0.00 O ATOM 1493 CB GLU A 97 12.103 -4.624 6.996 1.00 0.00 C ATOM 1494 CG GLU A 97 12.517 -6.007 7.504 1.00 0.00 C ATOM 1495 CD GLU A 97 14.030 -6.082 7.718 1.00 0.00 C ATOM 1496 OE1 GLU A 97 14.476 -5.607 8.785 1.00 0.00 O ATOM 1497 OE2 GLU A 97 14.706 -6.611 6.810 1.00 0.00 O ATOM 0 H GLU A 97 11.559 -2.637 5.464 1.00 0.00 H new ATOM 0 HA GLU A 97 13.928 -4.284 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.297 -3.877 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.031 -4.610 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.003 -6.223 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.209 -6.769 6.788 1.00 0.00 H new ATOM 1504 N GLY A 98 11.408 -5.139 4.012 1.00 0.00 N ATOM 1505 CA GLY A 98 11.009 -6.032 2.937 1.00 0.00 C ATOM 1506 C GLY A 98 10.099 -5.315 1.938 1.00 0.00 C ATOM 1507 O GLY A 98 9.281 -4.482 2.325 1.00 0.00 O ATOM 0 H GLY A 98 10.718 -4.428 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.894 -6.407 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.490 -6.897 3.351 1.00 0.00 H new ATOM 1511 N ILE A 99 10.272 -5.665 0.672 1.00 0.00 N ATOM 1512 CA ILE A 99 9.476 -5.065 -0.385 1.00 0.00 C ATOM 1513 C ILE A 99 8.536 -6.121 -0.972 1.00 0.00 C ATOM 1514 O ILE A 99 8.839 -7.313 -0.940 1.00 0.00 O ATOM 1515 CB ILE A 99 10.380 -4.401 -1.426 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.682 -5.185 -1.601 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.637 -2.935 -1.072 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.466 -4.682 -2.815 1.00 0.00 C ATOM 0 H ILE A 99 10.952 -6.356 0.354 1.00 0.00 H new ATOM 0 HA ILE A 99 8.851 -4.267 0.016 1.00 0.00 H new ATOM 0 HB ILE A 99 9.864 -4.415 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.293 -5.088 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.459 -6.245 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.282 -2.486 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.689 -2.397 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.123 -2.876 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.387 -5.256 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.862 -4.803 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.708 -3.628 -2.680 1.00 0.00 H new ATOM 1530 N TYR A 100 7.416 -5.645 -1.494 1.00 0.00 N ATOM 1531 CA TYR A 100 6.430 -6.533 -2.087 1.00 0.00 C ATOM 1532 C TYR A 100 5.775 -5.887 -3.309 1.00 0.00 C ATOM 1533 O TYR A 100 5.759 -4.663 -3.436 1.00 0.00 O ATOM 1534 CB TYR A 100 5.365 -6.758 -1.012 1.00 0.00 C ATOM 1535 CG TYR A 100 5.933 -7.135 0.358 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.529 -6.172 1.147 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.850 -8.439 0.804 1.00 0.00 C ATOM 1538 CE1 TYR A 100 7.064 -6.527 2.436 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.384 -8.793 2.094 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.965 -7.820 2.846 1.00 0.00 C ATOM 1541 OH TYR A 100 7.470 -8.155 4.063 1.00 0.00 O ATOM 0 H TYR A 100 7.169 -4.656 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 100 6.897 -7.462 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.769 -5.851 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.690 -7.547 -1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.594 -5.152 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.385 -9.193 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.533 -5.783 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.324 -9.809 2.456 1.00 0.00 H new ATOM 0 HH TYR A 100 7.328 -9.111 4.224 1.00 0.00 H new ATOM 1551 N LYS A 101 5.250 -6.738 -4.179 1.00 0.00 N ATOM 1552 CA LYS A 101 4.596 -6.265 -5.387 1.00 0.00 C ATOM 1553 C LYS A 101 3.090 -6.514 -5.276 1.00 0.00 C ATOM 1554 O LYS A 101 2.623 -7.095 -4.297 1.00 0.00 O ATOM 1555 CB LYS A 101 5.234 -6.899 -6.625 1.00 0.00 C ATOM 1556 CG LYS A 101 4.879 -8.383 -6.726 1.00 0.00 C ATOM 1557 CD LYS A 101 6.141 -9.249 -6.742 1.00 0.00 C ATOM 1558 CE LYS A 101 6.467 -9.717 -8.162 1.00 0.00 C ATOM 1559 NZ LYS A 101 6.983 -11.104 -8.144 1.00 0.00 N ATOM 0 H LYS A 101 5.264 -7.752 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 101 4.735 -5.190 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.894 -6.378 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.317 -6.783 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.249 -8.668 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.300 -8.561 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.981 -8.682 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.001 -10.114 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.573 -9.663 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.207 -9.053 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.521 -11.286 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.605 -11.232 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.186 -11.770 -8.083 1.00 0.00 H new ATOM 1573 N TYR A 102 2.371 -6.061 -6.293 1.00 0.00 N ATOM 1574 CA TYR A 102 0.928 -6.226 -6.322 1.00 0.00 C ATOM 1575 C TYR A 102 0.491 -7.004 -7.565 1.00 0.00 C ATOM 1576 O TYR A 102 0.635 -6.521 -8.687 1.00 0.00 O ATOM 1577 CB TYR A 102 0.343 -4.814 -6.387 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.165 -4.777 -6.644 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.648 -4.889 -7.932 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.042 -4.631 -5.589 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.066 -4.854 -8.175 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.461 -4.595 -5.832 1.00 0.00 C ATOM 1583 CZ TYR A 102 -3.903 -4.709 -7.113 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.243 -4.676 -7.342 1.00 0.00 O ATOM 0 H TYR A 102 2.761 -5.580 -7.103 1.00 0.00 H new ATOM 0 HA TYR A 102 0.587 -6.779 -5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.554 -4.301 -5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.850 -4.258 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.961 -5.003 -8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.664 -4.544 -4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.457 -4.941 -9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.158 -4.480 -5.015 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.681 -5.382 -6.822 1.00 0.00 H new ATOM 1594 N ASN A 103 -0.036 -8.196 -7.324 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.495 -9.045 -8.409 1.00 0.00 C ATOM 1596 C ASN A 103 -1.734 -8.418 -9.052 1.00 0.00 C ATOM 1597 O ASN A 103 -2.837 -8.529 -8.519 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.880 -10.434 -7.897 1.00 0.00 C ATOM 1599 CG ASN A 103 0.147 -11.482 -8.331 1.00 0.00 C ATOM 1600 OD1 ASN A 103 -0.134 -12.380 -9.108 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.349 -11.319 -7.786 1.00 0.00 N ATOM 0 H ASN A 103 -0.155 -8.593 -6.392 1.00 0.00 H new ATOM 0 HA ASN A 103 0.317 -9.139 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.951 -10.418 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.865 -10.706 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.103 -11.968 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.517 -10.545 -7.143 1.00 0.00 H new ATOM 1608 N SER A 104 -1.511 -7.774 -10.188 1.00 0.00 N ATOM 1609 CA SER A 104 -2.595 -7.129 -10.908 1.00 0.00 C ATOM 1610 C SER A 104 -3.329 -8.154 -11.775 1.00 0.00 C ATOM 1611 O SER A 104 -4.216 -7.797 -12.549 1.00 0.00 O ATOM 1612 CB SER A 104 -2.075 -5.979 -11.773 1.00 0.00 C ATOM 1613 OG SER A 104 -2.574 -4.717 -11.338 1.00 0.00 O ATOM 0 H SER A 104 -0.595 -7.685 -10.628 1.00 0.00 H new ATOM 0 HA SER A 104 -3.290 -6.714 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.985 -5.968 -11.744 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.365 -6.146 -12.810 1.00 0.00 H new ATOM 0 HG SER A 104 -2.218 -4.008 -11.914 1.00 0.00 H new ATOM 1619 N ASP A 105 -2.933 -9.408 -11.616 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.542 -10.488 -12.374 1.00 0.00 C ATOM 1621 C ASP A 105 -4.322 -11.397 -11.422 1.00 0.00 C ATOM 1622 O ASP A 105 -5.409 -11.865 -11.756 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.480 -11.336 -13.075 1.00 0.00 C ATOM 1624 CG ASP A 105 -2.116 -10.879 -14.489 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -3.000 -10.988 -15.366 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -0.962 -10.429 -14.661 1.00 0.00 O ATOM 0 H ASP A 105 -2.197 -9.701 -10.973 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.201 -10.046 -13.122 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.576 -11.336 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.832 -12.366 -13.122 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.735 -11.621 -10.256 1.00 0.00 N ATOM 1632 CA ARG A 106 -4.360 -12.466 -9.253 1.00 0.00 C ATOM 1633 C ARG A 106 -4.992 -11.609 -8.155 1.00 0.00 C ATOM 1634 O ARG A 106 -5.766 -12.109 -7.340 1.00 0.00 O ATOM 1635 CB ARG A 106 -3.343 -13.420 -8.624 1.00 0.00 C ATOM 1636 CG ARG A 106 -3.279 -14.740 -9.394 1.00 0.00 C ATOM 1637 CD ARG A 106 -3.606 -15.924 -8.481 1.00 0.00 C ATOM 1638 NE ARG A 106 -4.295 -16.983 -9.252 1.00 0.00 N ATOM 1639 CZ ARG A 106 -4.834 -18.080 -8.705 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -4.768 -18.270 -7.380 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -5.440 -18.988 -9.482 1.00 0.00 N ATOM 0 H ARG A 106 -2.833 -11.232 -9.983 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.132 -13.053 -9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.358 -12.953 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.614 -13.613 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.982 -14.714 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.284 -14.869 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.690 -16.320 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.237 -15.594 -7.656 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.364 -16.870 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.307 -17.579 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.179 -19.106 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.491 -18.844 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.850 -19.823 -9.065 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.638 -10.332 -8.168 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.161 -9.400 -7.184 1.00 0.00 C ATOM 1657 C LYS A 107 -4.615 -9.765 -5.802 1.00 0.00 C ATOM 1658 O LYS A 107 -5.259 -9.502 -4.787 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.689 -9.353 -7.249 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.166 -8.950 -8.645 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.494 -9.629 -8.988 1.00 0.00 C ATOM 1662 CE LYS A 107 -8.648 -9.798 -10.501 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.074 -9.966 -10.861 1.00 0.00 N ATOM 0 H LYS A 107 -3.995 -9.921 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.825 -8.387 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.098 -10.329 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.066 -8.643 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.283 -7.867 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.412 -9.223 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.544 -10.604 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.321 -9.036 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.237 -8.928 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.078 -10.664 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.161 -10.079 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.455 -10.809 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.610 -9.127 -10.559 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.435 -10.366 -5.807 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.795 -10.771 -4.567 1.00 0.00 C ATOM 1679 C ARG A 108 -1.513 -9.966 -4.344 1.00 0.00 C ATOM 1680 O ARG A 108 -1.223 -9.034 -5.092 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.457 -12.263 -4.582 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.715 -13.108 -4.789 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.602 -13.087 -3.543 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.136 -14.102 -2.572 1.00 0.00 N ATOM 1685 CZ ARG A 108 -3.239 -13.863 -1.606 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -2.705 -12.640 -1.475 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -2.875 -14.845 -0.771 1.00 0.00 N ATOM 0 H ARG A 108 -2.905 -10.583 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.495 -10.578 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.741 -12.469 -5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.979 -12.541 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.275 -12.730 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.433 -14.135 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.578 -12.097 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.637 -13.286 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.522 -15.043 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.982 -11.892 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.022 -12.458 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.281 -15.776 -0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.192 -14.662 -0.036 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.780 -10.355 -3.311 1.00 0.00 N ATOM 1702 CA PHE A 109 0.465 -9.682 -2.980 1.00 0.00 C ATOM 1703 C PHE A 109 1.636 -10.666 -2.978 1.00 0.00 C ATOM 1704 O PHE A 109 1.501 -11.797 -2.514 1.00 0.00 O ATOM 1705 CB PHE A 109 0.299 -9.101 -1.575 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.454 -7.770 -1.537 1.00 0.00 C ATOM 1707 CD1 PHE A 109 0.068 -6.675 -2.153 1.00 0.00 C ATOM 1708 CD2 PHE A 109 -1.645 -7.680 -0.887 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.631 -5.440 -2.118 1.00 0.00 C ATOM 1710 CE2 PHE A 109 -2.344 -6.445 -0.851 1.00 0.00 C ATOM 1711 CZ PHE A 109 -1.822 -5.350 -1.468 1.00 0.00 C ATOM 0 H PHE A 109 -1.024 -11.128 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 109 0.678 -8.908 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.230 -9.824 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.285 -8.962 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.014 -6.745 -2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -2.060 -8.549 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.217 -4.571 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -3.290 -6.374 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.353 -4.410 -1.441 1.00 0.00 H new ATOM 1721 N THR A 110 2.761 -10.199 -3.501 1.00 0.00 N ATOM 1722 CA THR A 110 3.955 -11.024 -3.565 1.00 0.00 C ATOM 1723 C THR A 110 5.163 -10.254 -3.027 1.00 0.00 C ATOM 1724 O THR A 110 5.116 -9.033 -2.892 1.00 0.00 O ATOM 1725 CB THR A 110 4.128 -11.494 -5.010 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.050 -12.403 -5.211 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.380 -12.353 -5.201 1.00 0.00 C ATOM 0 H THR A 110 2.870 -9.260 -3.884 1.00 0.00 H new ATOM 0 HA THR A 110 3.862 -11.906 -2.931 1.00 0.00 H new ATOM 0 HB THR A 110 4.178 -10.628 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.085 -12.755 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.455 -12.660 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.263 -11.775 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.315 -13.237 -4.566 1.00 0.00 H new ATOM 1735 N GLN A 111 6.218 -11.001 -2.736 1.00 0.00 N ATOM 1736 CA GLN A 111 7.437 -10.404 -2.216 1.00 0.00 C ATOM 1737 C GLN A 111 8.456 -10.214 -3.341 1.00 0.00 C ATOM 1738 O GLN A 111 8.385 -10.885 -4.369 1.00 0.00 O ATOM 1739 CB GLN A 111 8.022 -11.251 -1.084 1.00 0.00 C ATOM 1740 CG GLN A 111 8.423 -10.375 0.105 1.00 0.00 C ATOM 1741 CD GLN A 111 9.816 -10.748 0.616 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.130 -11.903 0.852 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.631 -9.709 0.773 1.00 0.00 N ATOM 0 H GLN A 111 6.254 -12.014 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 111 7.192 -9.425 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.290 -11.992 -0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.892 -11.798 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.409 -9.326 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.695 -10.490 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.304 -8.767 0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.583 -9.854 1.110 1.00 0.00 H new ATOM 1752 N ILE A 112 9.381 -9.294 -3.108 1.00 0.00 N ATOM 1753 CA ILE A 112 10.414 -9.006 -4.089 1.00 0.00 C ATOM 1754 C ILE A 112 11.708 -9.714 -3.684 1.00 0.00 C ATOM 1755 O ILE A 112 12.040 -9.778 -2.501 1.00 0.00 O ATOM 1756 CB ILE A 112 10.570 -7.496 -4.275 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.241 -6.774 -4.045 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.169 -7.171 -5.645 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.273 -7.024 -5.203 1.00 0.00 C ATOM 0 H ILE A 112 9.437 -8.738 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 112 10.131 -9.396 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 112 11.269 -7.130 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.794 -7.117 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.418 -5.704 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.269 -6.091 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.151 -7.637 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.515 -7.553 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.336 -6.499 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.713 -6.658 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.079 -8.093 -5.291 1.00 0.00 H new ATOM 1771 N PRO A 113 12.423 -10.240 -4.714 1.00 0.00 N ATOM 1772 CA PRO A 113 13.674 -10.940 -4.476 1.00 0.00 C ATOM 1773 C PRO A 113 14.800 -9.956 -4.152 1.00 0.00 C ATOM 1774 O PRO A 113 15.911 -10.366 -3.818 1.00 0.00 O ATOM 1775 CB PRO A 113 13.928 -11.734 -5.747 1.00 0.00 C ATOM 1776 CG PRO A 113 13.061 -11.094 -6.819 1.00 0.00 C ATOM 1777 CD PRO A 113 12.061 -10.182 -6.127 1.00 0.00 C ATOM 0 HA PRO A 113 13.628 -11.601 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.981 -11.700 -6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.668 -12.784 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.675 -10.526 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.543 -11.859 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.123 -9.163 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.038 -10.522 -6.288 1.00 0.00 H new ATOM 1785 N ALA A 114 14.475 -8.676 -4.262 1.00 0.00 N ATOM 1786 CA ALA A 114 15.445 -7.630 -3.984 1.00 0.00 C ATOM 1787 C ALA A 114 15.033 -6.883 -2.715 1.00 0.00 C ATOM 1788 O ALA A 114 13.886 -6.975 -2.280 1.00 0.00 O ATOM 1789 CB ALA A 114 15.557 -6.703 -5.196 1.00 0.00 C ATOM 0 H ALA A 114 13.553 -8.339 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 114 16.432 -8.058 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.284 -5.918 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.881 -7.277 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.586 -6.252 -5.400 1.00 0.00 H new ATOM 1795 N LYS A 115 15.992 -6.160 -2.155 1.00 0.00 N ATOM 1796 CA LYS A 115 15.743 -5.397 -0.944 1.00 0.00 C ATOM 1797 C LYS A 115 15.783 -3.902 -1.270 1.00 0.00 C ATOM 1798 O LYS A 115 15.692 -3.065 -0.374 1.00 0.00 O ATOM 1799 CB LYS A 115 16.718 -5.811 0.160 1.00 0.00 C ATOM 1800 CG LYS A 115 15.993 -6.563 1.278 1.00 0.00 C ATOM 1801 CD LYS A 115 15.910 -8.059 0.968 1.00 0.00 C ATOM 1802 CE LYS A 115 16.916 -8.850 1.806 1.00 0.00 C ATOM 1803 NZ LYS A 115 16.739 -10.304 1.594 1.00 0.00 N ATOM 0 H LYS A 115 16.943 -6.087 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 115 14.747 -5.613 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.501 -6.443 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.207 -4.927 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.517 -6.412 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.989 -6.157 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.901 -8.420 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.104 -8.226 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.931 -8.558 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.785 -8.612 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.430 -10.826 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.776 -10.581 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.886 -10.529 0.589 1.00 0.00 H new ATOM 1817 N THR A 116 15.919 -3.614 -2.556 1.00 0.00 N ATOM 1818 CA THR A 116 15.972 -2.235 -3.012 1.00 0.00 C ATOM 1819 C THR A 116 14.637 -1.829 -3.640 1.00 0.00 C ATOM 1820 O THR A 116 13.759 -2.668 -3.836 1.00 0.00 O ATOM 1821 CB THR A 116 17.159 -2.098 -3.967 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.276 -2.532 -3.196 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.480 -0.639 -4.297 1.00 0.00 C ATOM 0 H THR A 116 15.994 -4.312 -3.296 1.00 0.00 H new ATOM 0 HA THR A 116 16.126 -1.549 -2.179 1.00 0.00 H new ATOM 0 HB THR A 116 16.948 -2.641 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.090 -2.477 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.330 -0.599 -4.978 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.615 -0.174 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.724 -0.104 -3.379 1.00 0.00 H new ATOM 1831 N MET A 117 14.526 -0.543 -3.937 1.00 0.00 N ATOM 1832 CA MET A 117 13.313 -0.016 -4.539 1.00 0.00 C ATOM 1833 C MET A 117 13.245 -0.362 -6.028 1.00 0.00 C ATOM 1834 O MET A 117 14.258 -0.698 -6.638 1.00 0.00 O ATOM 1835 CB MET A 117 13.276 1.504 -4.365 1.00 0.00 C ATOM 1836 CG MET A 117 12.625 1.888 -3.035 1.00 0.00 C ATOM 1837 SD MET A 117 10.930 1.332 -3.001 1.00 0.00 S ATOM 1838 CE MET A 117 10.889 0.559 -1.393 1.00 0.00 C ATOM 0 H MET A 117 15.256 0.150 -3.772 1.00 0.00 H new ATOM 0 HA MET A 117 12.456 -0.469 -4.041 1.00 0.00 H new ATOM 0 HB2 MET A 117 14.289 1.903 -4.406 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.722 1.955 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 117 13.179 1.443 -2.208 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.664 2.969 -2.900 1.00 0.00 H new ATOM 0 HE1 MET A 117 9.904 0.124 -1.224 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.645 -0.225 -1.347 1.00 0.00 H new ATOM 0 HE3 MET A 117 11.093 1.305 -0.625 1.00 0.00 H new ATOM 1848 N SER A 118 12.039 -0.266 -6.570 1.00 0.00 N ATOM 1849 CA SER A 118 11.825 -0.565 -7.975 1.00 0.00 C ATOM 1850 C SER A 118 10.340 -0.430 -8.319 1.00 0.00 C ATOM 1851 O SER A 118 9.487 -0.501 -7.436 1.00 0.00 O ATOM 1852 CB SER A 118 12.325 -1.969 -8.323 1.00 0.00 C ATOM 1853 OG SER A 118 11.562 -2.564 -9.369 1.00 0.00 O ATOM 0 H SER A 118 11.201 0.015 -6.061 1.00 0.00 H new ATOM 0 HA SER A 118 12.395 0.151 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.372 -1.917 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.278 -2.601 -7.436 1.00 0.00 H new ATOM 0 HG SER A 118 11.914 -3.458 -9.563 1.00 0.00 H new ATOM 1859 N MET A 119 10.078 -0.239 -9.603 1.00 0.00 N ATOM 1860 CA MET A 119 8.711 -0.094 -10.074 1.00 0.00 C ATOM 1861 C MET A 119 7.929 -1.397 -9.897 1.00 0.00 C ATOM 1862 O MET A 119 6.715 -1.427 -10.092 1.00 0.00 O ATOM 1863 CB MET A 119 8.719 0.300 -11.553 1.00 0.00 C ATOM 1864 CG MET A 119 9.422 1.643 -11.759 1.00 0.00 C ATOM 1865 SD MET A 119 8.214 2.926 -12.044 1.00 0.00 S ATOM 1866 CE MET A 119 7.720 3.266 -10.362 1.00 0.00 C ATOM 0 H MET A 119 10.789 -0.181 -10.332 1.00 0.00 H new ATOM 0 HA MET A 119 8.224 0.683 -9.485 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.223 -0.471 -12.136 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.695 0.361 -11.922 1.00 0.00 H new ATOM 0 HG2 MET A 119 10.023 1.886 -10.883 1.00 0.00 H new ATOM 0 HG3 MET A 119 10.104 1.580 -12.607 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.161 4.201 -10.329 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.091 2.454 -9.996 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.606 3.350 -9.733 1.00 0.00 H new ATOM 1876 N SER A 120 8.656 -2.441 -9.529 1.00 0.00 N ATOM 1877 CA SER A 120 8.046 -3.743 -9.323 1.00 0.00 C ATOM 1878 C SER A 120 7.621 -3.897 -7.861 1.00 0.00 C ATOM 1879 O SER A 120 7.260 -4.990 -7.427 1.00 0.00 O ATOM 1880 CB SER A 120 9.003 -4.869 -9.718 1.00 0.00 C ATOM 1881 OG SER A 120 8.771 -5.324 -11.049 1.00 0.00 O ATOM 0 H SER A 120 9.663 -2.412 -9.368 1.00 0.00 H new ATOM 0 HA SER A 120 7.165 -3.811 -9.960 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.031 -4.519 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.888 -5.702 -9.025 1.00 0.00 H new ATOM 0 HG SER A 120 9.403 -6.042 -11.264 1.00 0.00 H new ATOM 1887 N VAL A 121 7.678 -2.786 -7.141 1.00 0.00 N ATOM 1888 CA VAL A 121 7.304 -2.783 -5.737 1.00 0.00 C ATOM 1889 C VAL A 121 6.000 -2.002 -5.563 1.00 0.00 C ATOM 1890 O VAL A 121 5.878 -0.876 -6.042 1.00 0.00 O ATOM 1891 CB VAL A 121 8.451 -2.227 -4.891 1.00 0.00 C ATOM 1892 CG1 VAL A 121 8.076 -2.201 -3.408 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.736 -3.026 -5.117 1.00 0.00 C ATOM 0 H VAL A 121 7.978 -1.881 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 121 7.123 -3.800 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 121 8.634 -1.200 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.909 -1.802 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.199 -1.570 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.853 -3.213 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.536 -2.610 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.571 -4.067 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.019 -2.971 -6.168 1.00 0.00 H new ATOM 1903 N ASP A 122 5.058 -2.631 -4.876 1.00 0.00 N ATOM 1904 CA ASP A 122 3.767 -2.010 -4.632 1.00 0.00 C ATOM 1905 C ASP A 122 3.490 -1.993 -3.128 1.00 0.00 C ATOM 1906 O ASP A 122 2.386 -1.660 -2.700 1.00 0.00 O ATOM 1907 CB ASP A 122 2.642 -2.792 -5.312 1.00 0.00 C ATOM 1908 CG ASP A 122 2.475 -2.517 -6.808 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.354 -2.973 -7.571 1.00 0.00 O ATOM 1910 OD2 ASP A 122 1.472 -1.856 -7.154 1.00 0.00 O ATOM 0 H ASP A 122 5.163 -3.565 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 122 3.798 -0.998 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.825 -3.857 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.703 -2.561 -4.808 1.00 0.00 H new ATOM 1915 N ALA A 123 4.511 -2.357 -2.366 1.00 0.00 N ATOM 1916 CA ALA A 123 4.391 -2.389 -0.918 1.00 0.00 C ATOM 1917 C ALA A 123 5.787 -2.454 -0.296 1.00 0.00 C ATOM 1918 O ALA A 123 6.753 -2.816 -0.967 1.00 0.00 O ATOM 1919 CB ALA A 123 3.513 -3.571 -0.504 1.00 0.00 C ATOM 0 H ALA A 123 5.425 -2.632 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 123 3.909 -1.482 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.423 -3.595 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.523 -3.462 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.966 -4.500 -0.851 1.00 0.00 H new ATOM 1925 N PHE A 124 5.850 -2.097 0.978 1.00 0.00 N ATOM 1926 CA PHE A 124 7.112 -2.110 1.698 1.00 0.00 C ATOM 1927 C PHE A 124 6.893 -1.870 3.193 1.00 0.00 C ATOM 1928 O PHE A 124 5.900 -1.261 3.589 1.00 0.00 O ATOM 1929 CB PHE A 124 7.962 -0.972 1.130 1.00 0.00 C ATOM 1930 CG PHE A 124 7.546 0.418 1.616 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.283 0.867 1.389 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.440 1.204 2.274 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.897 2.157 1.840 1.00 0.00 C ATOM 1934 CE2 PHE A 124 8.054 2.494 2.724 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.790 2.943 2.497 1.00 0.00 C ATOM 0 H PHE A 124 5.047 -1.797 1.531 1.00 0.00 H new ATOM 0 HA PHE A 124 7.598 -3.079 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 124 9.005 -1.142 1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.904 -0.997 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.574 0.243 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.443 0.847 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.893 2.514 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.764 3.119 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.496 3.924 2.839 1.00 0.00 H new ATOM 1945 N THR A 125 7.836 -2.363 3.983 1.00 0.00 N ATOM 1946 CA THR A 125 7.758 -2.209 5.426 1.00 0.00 C ATOM 1947 C THR A 125 9.114 -1.781 5.990 1.00 0.00 C ATOM 1948 O THR A 125 10.120 -2.456 5.777 1.00 0.00 O ATOM 1949 CB THR A 125 7.243 -3.525 6.014 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.107 -4.514 5.462 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.858 -3.901 5.483 1.00 0.00 C ATOM 0 H THR A 125 8.657 -2.869 3.651 1.00 0.00 H new ATOM 0 HA THR A 125 7.062 -1.418 5.703 1.00 0.00 H new ATOM 0 HB THR A 125 7.206 -3.447 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.022 -4.165 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.540 -4.842 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.145 -3.117 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.902 -4.012 4.400 1.00 0.00 H new ATOM 1959 N ILE A 126 9.097 -0.662 6.699 1.00 0.00 N ATOM 1960 CA ILE A 126 10.313 -0.136 7.296 1.00 0.00 C ATOM 1961 C ILE A 126 10.684 -0.981 8.517 1.00 0.00 C ATOM 1962 O ILE A 126 9.844 -1.697 9.059 1.00 0.00 O ATOM 1963 CB ILE A 126 10.158 1.354 7.604 1.00 0.00 C ATOM 1964 CG1 ILE A 126 8.992 1.597 8.566 1.00 0.00 C ATOM 1965 CG2 ILE A 126 10.017 2.169 6.317 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.015 3.028 9.105 1.00 0.00 C ATOM 0 H ILE A 126 8.261 -0.105 6.874 1.00 0.00 H new ATOM 0 HA ILE A 126 11.143 -0.208 6.594 1.00 0.00 H new ATOM 0 HB ILE A 126 11.065 1.695 8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.048 1.413 8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.047 0.891 9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.908 3.225 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.905 2.031 5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.137 1.833 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.176 3.174 9.786 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.950 3.201 9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.935 3.731 8.275 1.00 0.00 H new ATOM 1978 N GLN A 127 11.943 -0.869 8.913 1.00 0.00 N ATOM 1979 CA GLN A 127 12.436 -1.614 10.060 1.00 0.00 C ATOM 1980 C GLN A 127 11.431 -1.540 11.212 1.00 0.00 C ATOM 1981 O GLN A 127 10.568 -0.664 11.232 1.00 0.00 O ATOM 1982 CB GLN A 127 13.810 -1.102 10.497 1.00 0.00 C ATOM 1983 CG GLN A 127 14.922 -2.036 10.016 1.00 0.00 C ATOM 1984 CD GLN A 127 15.965 -2.258 11.113 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.667 -2.709 12.206 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.201 -1.916 10.761 1.00 0.00 N ATOM 0 H GLN A 127 12.637 -0.274 8.461 1.00 0.00 H new ATOM 0 HA GLN A 127 12.550 -2.658 9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.973 -0.101 10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 127 13.843 -1.021 11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.494 -2.993 9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.402 -1.612 9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.381 -1.544 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 127 17.969 -2.026 11.424 1.00 0.00 H new ATOM 1995 N GLY A 128 11.578 -2.471 12.143 1.00 0.00 N ATOM 1996 CA GLY A 128 10.694 -2.523 13.295 1.00 0.00 C ATOM 1997 C GLY A 128 11.077 -1.462 14.328 1.00 0.00 C ATOM 1998 O GLY A 128 10.210 -0.786 14.880 1.00 0.00 O ATOM 0 H GLY A 128 12.296 -3.195 12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.664 -2.368 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.741 -3.512 13.750 1.00 0.00 H new ATOM 2002 N HIS A 129 12.377 -1.348 14.558 1.00 0.00 N ATOM 2003 CA HIS A 129 12.886 -0.380 15.515 1.00 0.00 C ATOM 2004 C HIS A 129 12.334 1.008 15.183 1.00 0.00 C ATOM 2005 O HIS A 129 12.188 1.850 16.068 1.00 0.00 O ATOM 2006 CB HIS A 129 14.414 -0.414 15.562 1.00 0.00 C ATOM 2007 CG HIS A 129 15.081 0.328 14.429 1.00 0.00 C ATOM 2008 ND1 HIS A 129 15.824 -0.308 13.450 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.108 1.659 14.128 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.273 0.608 12.604 1.00 0.00 C ATOM 2011 NE2 HIS A 129 15.829 1.826 13.027 1.00 0.00 N ATOM 0 H HIS A 129 13.093 -1.910 14.098 1.00 0.00 H new ATOM 0 HA HIS A 129 12.544 -0.639 16.517 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.748 0.013 16.508 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.745 -1.453 15.547 1.00 0.00 H new ATOM 0 HD1 HIS A 129 15.997 -1.311 13.390 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.624 2.444 14.691 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.883 0.422 11.733 1.00 0.00 H new ATOM 2019 N LEU A 130 12.042 1.204 13.906 1.00 0.00 N ATOM 2020 CA LEU A 130 11.509 2.476 13.446 1.00 0.00 C ATOM 2021 C LEU A 130 10.105 2.672 14.019 1.00 0.00 C ATOM 2022 O LEU A 130 9.709 3.795 14.330 1.00 0.00 O ATOM 2023 CB LEU A 130 11.568 2.561 11.920 1.00 0.00 C ATOM 2024 CG LEU A 130 12.962 2.471 11.296 1.00 0.00 C ATOM 2025 CD1 LEU A 130 12.874 2.230 9.788 1.00 0.00 C ATOM 2026 CD2 LEU A 130 13.794 3.711 11.631 1.00 0.00 C ATOM 0 H LEU A 130 12.164 0.503 13.175 1.00 0.00 H new ATOM 0 HA LEU A 130 12.121 3.301 13.812 1.00 0.00 H new ATOM 0 HB2 LEU A 130 10.955 1.760 11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.113 3.502 11.611 1.00 0.00 H new ATOM 0 HG LEU A 130 13.475 1.612 11.729 1.00 0.00 H new ATOM 0 HD11 LEU A 130 13.879 2.170 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.346 1.295 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.334 3.053 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.780 3.621 11.175 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.295 4.599 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 130 13.900 3.797 12.712 1.00 0.00 H new ATOM 2038 N TRP A 131 9.389 1.564 14.142 1.00 0.00 N ATOM 2039 CA TRP A 131 8.037 1.600 14.672 1.00 0.00 C ATOM 2040 C TRP A 131 8.130 1.707 16.195 1.00 0.00 C ATOM 2041 O TRP A 131 7.506 2.578 16.799 1.00 0.00 O ATOM 2042 CB TRP A 131 7.232 0.385 14.205 1.00 0.00 C ATOM 2043 CG TRP A 131 6.956 0.363 12.701 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.487 -0.449 11.776 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.053 1.228 11.980 1.00 0.00 C ATOM 2046 NE1 TRP A 131 6.995 -0.172 10.517 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.095 0.880 10.645 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.229 2.269 12.440 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.336 1.524 9.661 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.476 2.903 11.444 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.507 2.565 10.096 1.00 0.00 C ATOM 0 H TRP A 131 9.720 0.635 13.883 1.00 0.00 H new ATOM 0 HA TRP A 131 7.497 2.468 14.294 1.00 0.00 H new ATOM 0 HB2 TRP A 131 7.771 -0.522 14.478 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.282 0.364 14.739 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.209 -1.223 11.989 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.245 -0.651 9.652 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.180 2.557 13.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.387 1.234 8.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 3.826 3.711 11.744 1.00 0.00 H new ATOM 0 HH2 TRP A 131 3.894 3.103 9.388 1.00 0.00 H new