USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 740 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 88 THR OG1 : rot 180:sc= 0.105 USER MOD Set 1.2: A 106 THR OG1 : rot -56:sc= 0.15 USER MOD Set 2.1: A 82 THR OG1 : rot 82:sc= 0.552 USER MOD Set 2.2: A 87 TYR OH : rot 30:sc= 0.879 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -2.81 F(o=-5.2!,f=-2.8) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 23 HIS :FLIP no HD1:sc= -1.4! C(o=-2.7!,f=-1.8!) USER MOD Set 4.2: A 25 SER OG : rot 107:sc=-0.00905 USER MOD Set 4.3: A 37 SER OG : rot 180:sc= -0.416 USER MOD Single : A 27 SER OG : rot 7:sc= 0.0824 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.937 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.092 (180deg=-0.862) USER MOD Single : A 39 GLN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 0.481 (180deg=0.291) USER MOD Single : A 45 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.011) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 51 TYR OH : rot 150:sc= -1.53 USER MOD Single : A 54 SER OG : rot 150:sc= -0.529 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.00479 USER MOD Single : A 62 ASN : amide:sc= -0.816 K(o=-0.82,f=-2.4!) USER MOD Single : A 63 THR OG1 : rot 46:sc= -0.36 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.668 K(o=-0.67,f=-3.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 79:sc= 0.196 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -176:sc= -4.03! (180deg=-4.06!) USER MOD Single : A 95 THR OG1 : rot 150:sc= -0.781 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.27 F(o=-3.6,f=-1.3) USER MOD Single : A 101 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.8!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -155:sc= -0.237! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.456 -0.710 -13.223 1.00 0.00 N ATOM 203 CA ASP A 16 17.119 0.239 -12.344 1.00 0.00 C ATOM 204 C ASP A 16 16.363 0.311 -11.016 1.00 0.00 C ATOM 205 O ASP A 16 16.898 -0.058 -9.971 1.00 0.00 O ATOM 206 CB ASP A 16 17.134 1.641 -12.956 1.00 0.00 C ATOM 207 CG ASP A 16 17.987 2.665 -12.206 1.00 0.00 C ATOM 208 OD1 ASP A 16 17.715 2.856 -11.001 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.891 3.235 -12.855 1.00 0.00 O ATOM 0 HA ASP A 16 18.144 -0.100 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.497 1.570 -13.981 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.110 2.010 -13.005 1.00 0.00 H new ATOM 214 N VAL A 17 15.130 0.790 -11.099 1.00 0.00 N ATOM 215 CA VAL A 17 14.295 0.915 -9.916 1.00 0.00 C ATOM 216 C VAL A 17 14.383 -0.373 -9.095 1.00 0.00 C ATOM 217 O VAL A 17 14.845 -1.399 -9.592 1.00 0.00 O ATOM 218 CB VAL A 17 12.862 1.268 -10.323 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.712 2.774 -10.548 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.435 0.482 -11.564 1.00 0.00 C ATOM 0 H VAL A 17 14.689 1.096 -11.967 1.00 0.00 H new ATOM 0 HA VAL A 17 14.650 1.728 -9.283 1.00 0.00 H new ATOM 0 HB VAL A 17 12.201 0.984 -9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.685 2.998 -10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.955 3.305 -9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.389 3.093 -11.341 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.413 0.752 -11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.102 0.720 -12.393 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.485 -0.586 -11.353 1.00 0.00 H new ATOM 230 N PRO A 18 13.922 -0.274 -7.820 1.00 0.00 N ATOM 231 CA PRO A 18 13.944 -1.419 -6.926 1.00 0.00 C ATOM 232 C PRO A 18 12.841 -2.417 -7.285 1.00 0.00 C ATOM 233 O PRO A 18 12.078 -2.193 -8.223 1.00 0.00 O ATOM 234 CB PRO A 18 13.784 -0.833 -5.532 1.00 0.00 C ATOM 235 CG PRO A 18 13.214 0.562 -5.730 1.00 0.00 C ATOM 236 CD PRO A 18 13.368 0.925 -7.198 1.00 0.00 C ATOM 0 HA PRO A 18 14.868 -1.992 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.117 -1.445 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.741 -0.794 -5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.164 0.590 -5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.739 1.282 -5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.410 1.195 -7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.031 1.780 -7.327 1.00 0.00 H new ATOM 244 N GLY A 19 12.793 -3.498 -6.519 1.00 0.00 N ATOM 245 CA GLY A 19 11.796 -4.531 -6.745 1.00 0.00 C ATOM 246 C GLY A 19 10.621 -4.379 -5.777 1.00 0.00 C ATOM 247 O GLY A 19 10.351 -3.282 -5.290 1.00 0.00 O ATOM 0 H GLY A 19 13.428 -3.680 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.435 -4.475 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.250 -5.514 -6.620 1.00 0.00 H new ATOM 251 N PRO A 20 9.934 -5.525 -5.523 1.00 0.00 N ATOM 252 CA PRO A 20 8.793 -5.529 -4.623 1.00 0.00 C ATOM 253 C PRO A 20 9.245 -5.435 -3.164 1.00 0.00 C ATOM 254 O PRO A 20 10.119 -6.185 -2.731 1.00 0.00 O ATOM 255 CB PRO A 20 8.053 -6.820 -4.933 1.00 0.00 C ATOM 256 CG PRO A 20 9.050 -7.708 -5.660 1.00 0.00 C ATOM 257 CD PRO A 20 10.225 -6.841 -6.083 1.00 0.00 C ATOM 0 HA PRO A 20 8.141 -4.667 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.700 -7.297 -4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.176 -6.629 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.386 -8.516 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.585 -8.171 -6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.166 -7.235 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.315 -6.798 -7.168 1.00 0.00 H new ATOM 265 N VAL A 21 8.630 -4.507 -2.446 1.00 0.00 N ATOM 266 CA VAL A 21 8.958 -4.305 -1.045 1.00 0.00 C ATOM 267 C VAL A 21 8.860 -5.641 -0.305 1.00 0.00 C ATOM 268 O VAL A 21 8.631 -6.680 -0.921 1.00 0.00 O ATOM 269 CB VAL A 21 8.057 -3.222 -0.448 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.538 -1.826 -0.848 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.598 -3.438 -0.854 1.00 0.00 C ATOM 0 H VAL A 21 7.906 -3.886 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 21 9.983 -3.950 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 21 8.117 -3.297 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.880 -1.075 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.554 -1.674 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.523 -1.733 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.979 -2.655 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.514 -3.403 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.261 -4.410 -0.495 1.00 0.00 H new ATOM 281 N GLY A 22 9.037 -5.568 1.006 1.00 0.00 N ATOM 282 CA GLY A 22 8.971 -6.759 1.837 1.00 0.00 C ATOM 283 C GLY A 22 7.568 -7.369 1.809 1.00 0.00 C ATOM 284 O GLY A 22 6.798 -7.124 0.882 1.00 0.00 O ATOM 0 H GLY A 22 9.226 -4.704 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.697 -7.492 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.242 -6.507 2.862 1.00 0.00 H new ATOM 288 N HIS A 23 7.279 -8.153 2.838 1.00 0.00 N ATOM 289 CA HIS A 23 5.982 -8.800 2.944 1.00 0.00 C ATOM 290 C HIS A 23 4.978 -7.838 3.581 1.00 0.00 C ATOM 291 O HIS A 23 5.046 -7.568 4.779 1.00 0.00 O ATOM 292 CB HIS A 23 6.097 -10.125 3.701 1.00 0.00 C ATOM 293 CG HIS A 23 5.774 -10.021 5.172 1.00 0.00 C ATOM 294 ND1 HIS A 23 6.375 -9.308 6.168 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 4.724 -10.704 5.760 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 5.726 -9.541 7.302 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 4.702 -10.407 7.051 1.00 0.00 N flip ATOM 0 H HIS A 23 7.920 -8.355 3.605 1.00 0.00 H new ATOM 0 HA HIS A 23 5.613 -9.047 1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.427 -10.853 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.111 -10.509 3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.039 -11.367 5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.968 -9.115 8.265 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.036 -10.763 7.737 1.00 0.00 H new ATOM 305 N LEU A 24 4.070 -7.346 2.751 1.00 0.00 N ATOM 306 CA LEU A 24 3.053 -6.420 3.218 1.00 0.00 C ATOM 307 C LEU A 24 2.351 -7.014 4.441 1.00 0.00 C ATOM 308 O LEU A 24 2.249 -8.232 4.572 1.00 0.00 O ATOM 309 CB LEU A 24 2.099 -6.052 2.080 1.00 0.00 C ATOM 310 CG LEU A 24 2.137 -4.593 1.618 1.00 0.00 C ATOM 311 CD1 LEU A 24 3.229 -4.379 0.568 1.00 0.00 C ATOM 312 CD2 LEU A 24 0.764 -4.141 1.117 1.00 0.00 C ATOM 0 H LEU A 24 4.018 -7.571 1.758 1.00 0.00 H new ATOM 0 HA LEU A 24 3.509 -5.482 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.323 -6.689 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.082 -6.286 2.395 1.00 0.00 H new ATOM 0 HG LEU A 24 2.388 -3.969 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.235 -3.334 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.199 -4.636 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.033 -5.014 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.818 -3.101 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.459 -4.766 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.034 -4.234 1.922 1.00 0.00 H new ATOM 324 N SER A 25 1.884 -6.125 5.305 1.00 0.00 N ATOM 325 CA SER A 25 1.194 -6.546 6.513 1.00 0.00 C ATOM 326 C SER A 25 0.058 -5.572 6.833 1.00 0.00 C ATOM 327 O SER A 25 0.167 -4.377 6.567 1.00 0.00 O ATOM 328 CB SER A 25 2.161 -6.641 7.695 1.00 0.00 C ATOM 329 OG SER A 25 3.438 -7.136 7.302 1.00 0.00 O ATOM 0 H SER A 25 1.970 -5.115 5.193 1.00 0.00 H new ATOM 0 HA SER A 25 0.776 -7.538 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.278 -5.656 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.738 -7.295 8.458 1.00 0.00 H new ATOM 0 HG SER A 25 4.089 -6.404 7.310 1.00 0.00 H new ATOM 335 N PHE A 26 -1.006 -6.121 7.401 1.00 0.00 N ATOM 336 CA PHE A 26 -2.161 -5.316 7.760 1.00 0.00 C ATOM 337 C PHE A 26 -2.573 -5.565 9.213 1.00 0.00 C ATOM 338 O PHE A 26 -2.645 -6.712 9.653 1.00 0.00 O ATOM 339 CB PHE A 26 -3.306 -5.739 6.838 1.00 0.00 C ATOM 340 CG PHE A 26 -3.035 -5.489 5.353 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.250 -4.445 4.972 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.578 -6.309 4.415 1.00 0.00 C ATOM 343 CE1 PHE A 26 -1.998 -4.212 3.594 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.326 -6.077 3.037 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.541 -5.033 2.656 1.00 0.00 C ATOM 0 H PHE A 26 -1.092 -7.113 7.621 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.924 -4.257 7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.505 -6.800 6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.209 -5.202 7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.819 -3.794 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.201 -7.137 4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.375 -3.383 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.757 -6.729 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.349 -4.856 1.608 1.00 0.00 H new ATOM 355 N SER A 27 -2.832 -4.473 9.917 1.00 0.00 N ATOM 356 CA SER A 27 -3.234 -4.559 11.310 1.00 0.00 C ATOM 357 C SER A 27 -4.246 -3.457 11.632 1.00 0.00 C ATOM 358 O SER A 27 -4.458 -2.551 10.827 1.00 0.00 O ATOM 359 CB SER A 27 -2.024 -4.456 12.240 1.00 0.00 C ATOM 360 OG SER A 27 -1.261 -5.660 12.260 1.00 0.00 O ATOM 0 H SER A 27 -2.771 -3.524 9.548 1.00 0.00 H new ATOM 0 HA SER A 27 -3.701 -5.531 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.389 -3.630 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.362 -4.224 13.250 1.00 0.00 H new ATOM 0 HG SER A 27 -1.610 -6.280 11.586 1.00 0.00 H new ATOM 366 N GLU A 28 -4.843 -3.571 12.809 1.00 0.00 N ATOM 367 CA GLU A 28 -5.827 -2.596 13.246 1.00 0.00 C ATOM 368 C GLU A 28 -6.818 -2.300 12.119 1.00 0.00 C ATOM 369 O GLU A 28 -7.014 -1.143 11.748 1.00 0.00 O ATOM 370 CB GLU A 28 -5.149 -1.313 13.732 1.00 0.00 C ATOM 371 CG GLU A 28 -4.236 -1.594 14.927 1.00 0.00 C ATOM 372 CD GLU A 28 -5.053 -1.824 16.200 1.00 0.00 C ATOM 373 OE1 GLU A 28 -5.902 -0.955 16.494 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.810 -2.864 16.849 1.00 0.00 O ATOM 0 H GLU A 28 -4.664 -4.324 13.474 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.379 -3.017 14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.568 -0.875 12.921 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.906 -0.581 14.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.622 -2.471 14.722 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.555 -0.755 15.074 1.00 0.00 H new ATOM 381 N ILE A 29 -7.417 -3.364 11.606 1.00 0.00 N ATOM 382 CA ILE A 29 -8.383 -3.233 10.529 1.00 0.00 C ATOM 383 C ILE A 29 -9.779 -3.030 11.122 1.00 0.00 C ATOM 384 O ILE A 29 -10.172 -3.737 12.049 1.00 0.00 O ATOM 385 CB ILE A 29 -8.288 -4.426 9.575 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.830 -4.741 9.236 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.132 -4.193 8.320 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.723 -5.451 7.884 1.00 0.00 C ATOM 0 H ILE A 29 -7.252 -4.321 11.916 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.162 -2.353 9.925 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.697 -5.301 10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.251 -3.818 9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.399 -5.369 10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.047 -5.055 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.175 -4.055 8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.776 -3.302 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.676 -5.664 7.667 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.284 -6.385 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.133 -4.810 7.103 1.00 0.00 H new ATOM 400 N LEU A 30 -10.489 -2.060 10.565 1.00 0.00 N ATOM 401 CA LEU A 30 -11.832 -1.755 11.027 1.00 0.00 C ATOM 402 C LEU A 30 -12.829 -2.025 9.899 1.00 0.00 C ATOM 403 O LEU A 30 -12.866 -3.124 9.348 1.00 0.00 O ATOM 404 CB LEU A 30 -11.898 -0.330 11.578 1.00 0.00 C ATOM 405 CG LEU A 30 -11.050 -0.051 12.821 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.414 -1.006 13.959 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.557 -0.099 12.488 1.00 0.00 C ATOM 0 H LEU A 30 -10.159 -1.475 9.797 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.106 -2.406 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.590 0.357 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.937 -0.100 11.813 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.271 0.959 13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.797 -0.786 14.830 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.465 -0.880 14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.240 -2.034 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.977 0.103 13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.301 -1.087 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.328 0.653 11.733 1.00 0.00 H new ATOM 419 N ASP A 31 -13.614 -1.004 9.589 1.00 0.00 N ATOM 420 CA ASP A 31 -14.609 -1.117 8.536 1.00 0.00 C ATOM 421 C ASP A 31 -14.142 -0.327 7.312 1.00 0.00 C ATOM 422 O ASP A 31 -14.482 -0.671 6.181 1.00 0.00 O ATOM 423 CB ASP A 31 -15.954 -0.542 8.985 1.00 0.00 C ATOM 424 CG ASP A 31 -15.878 0.828 9.663 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.897 1.038 10.408 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.802 1.633 9.420 1.00 0.00 O ATOM 0 H ASP A 31 -13.581 -0.094 10.049 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.730 -2.174 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.607 -0.465 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.421 -1.246 9.674 1.00 0.00 H new ATOM 431 N THR A 32 -13.370 0.716 7.580 1.00 0.00 N ATOM 432 CA THR A 32 -12.853 1.557 6.514 1.00 0.00 C ATOM 433 C THR A 32 -11.507 2.161 6.917 1.00 0.00 C ATOM 434 O THR A 32 -11.114 3.209 6.406 1.00 0.00 O ATOM 435 CB THR A 32 -13.916 2.608 6.183 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.858 3.517 7.279 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.336 2.043 6.242 1.00 0.00 C ATOM 0 H THR A 32 -13.090 0.998 8.520 1.00 0.00 H new ATOM 0 HA THR A 32 -12.657 0.977 5.612 1.00 0.00 H new ATOM 0 HB THR A 32 -13.728 3.014 5.189 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.514 4.233 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.051 2.829 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.434 1.229 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.537 1.667 7.245 1.00 0.00 H new ATOM 445 N SER A 33 -10.836 1.474 7.829 1.00 0.00 N ATOM 446 CA SER A 33 -9.541 1.929 8.307 1.00 0.00 C ATOM 447 C SER A 33 -8.661 0.728 8.659 1.00 0.00 C ATOM 448 O SER A 33 -9.090 -0.168 9.385 1.00 0.00 O ATOM 449 CB SER A 33 -9.694 2.850 9.520 1.00 0.00 C ATOM 450 OG SER A 33 -10.682 2.374 10.429 1.00 0.00 O ATOM 0 H SER A 33 -11.165 0.605 8.250 1.00 0.00 H new ATOM 0 HA SER A 33 -9.063 2.499 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.737 2.933 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.963 3.851 9.184 1.00 0.00 H new ATOM 0 HG SER A 33 -10.749 2.988 11.190 1.00 0.00 H new ATOM 456 N LEU A 34 -7.447 0.749 8.129 1.00 0.00 N ATOM 457 CA LEU A 34 -6.503 -0.328 8.379 1.00 0.00 C ATOM 458 C LEU A 34 -5.078 0.199 8.204 1.00 0.00 C ATOM 459 O LEU A 34 -4.839 1.101 7.402 1.00 0.00 O ATOM 460 CB LEU A 34 -6.824 -1.536 7.497 1.00 0.00 C ATOM 461 CG LEU A 34 -6.596 -1.351 5.996 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.102 -1.349 5.665 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.360 -2.405 5.191 1.00 0.00 C ATOM 0 H LEU A 34 -7.095 1.494 7.528 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.589 -0.680 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.220 -2.378 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.867 -1.809 7.655 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.991 -0.377 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.967 -1.216 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.613 -0.532 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.660 -2.297 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.181 -2.251 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.017 -3.400 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.427 -2.316 5.396 1.00 0.00 H new ATOM 475 N LYS A 35 -4.167 -0.385 8.969 1.00 0.00 N ATOM 476 CA LYS A 35 -2.772 0.014 8.909 1.00 0.00 C ATOM 477 C LYS A 35 -2.022 -0.909 7.946 1.00 0.00 C ATOM 478 O LYS A 35 -2.162 -2.129 8.015 1.00 0.00 O ATOM 479 CB LYS A 35 -2.166 0.059 10.314 1.00 0.00 C ATOM 480 CG LYS A 35 -0.887 0.898 10.333 1.00 0.00 C ATOM 481 CD LYS A 35 0.246 0.154 11.041 1.00 0.00 C ATOM 482 CE LYS A 35 0.824 -0.944 10.146 1.00 0.00 C ATOM 483 NZ LYS A 35 0.705 -2.265 10.804 1.00 0.00 N ATOM 0 H LYS A 35 -4.369 -1.132 9.634 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.683 1.027 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.890 0.478 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.946 -0.954 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.589 1.136 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.077 1.845 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.033 0.857 11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.125 -0.285 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.298 -0.958 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.871 -0.732 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.530 -2.850 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.664 -2.137 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.162 -2.738 10.479 1.00 0.00 H new ATOM 497 N VAL A 36 -1.243 -0.291 7.071 1.00 0.00 N ATOM 498 CA VAL A 36 -0.471 -1.042 6.095 1.00 0.00 C ATOM 499 C VAL A 36 1.011 -0.989 6.473 1.00 0.00 C ATOM 500 O VAL A 36 1.519 0.062 6.861 1.00 0.00 O ATOM 501 CB VAL A 36 -0.749 -0.511 4.688 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.224 -1.115 3.672 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.200 -0.772 4.279 1.00 0.00 C ATOM 0 H VAL A 36 -1.130 0.721 7.017 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.769 -2.090 6.097 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.594 0.568 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.005 -0.721 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.246 -0.855 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.115 -2.200 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.370 -0.384 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.394 -1.844 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.871 -0.273 4.979 1.00 0.00 H new ATOM 513 N SER A 37 1.663 -2.135 6.346 1.00 0.00 N ATOM 514 CA SER A 37 3.076 -2.232 6.670 1.00 0.00 C ATOM 515 C SER A 37 3.810 -3.012 5.577 1.00 0.00 C ATOM 516 O SER A 37 3.199 -3.793 4.850 1.00 0.00 O ATOM 517 CB SER A 37 3.285 -2.900 8.030 1.00 0.00 C ATOM 518 OG SER A 37 4.035 -4.107 7.923 1.00 0.00 O ATOM 0 H SER A 37 1.239 -3.005 6.023 1.00 0.00 H new ATOM 0 HA SER A 37 3.485 -1.223 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.802 -2.210 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.316 -3.114 8.481 1.00 0.00 H new ATOM 0 HG SER A 37 4.148 -4.502 8.813 1.00 0.00 H new ATOM 524 N TRP A 38 5.111 -2.773 5.497 1.00 0.00 N ATOM 525 CA TRP A 38 5.935 -3.443 4.505 1.00 0.00 C ATOM 526 C TRP A 38 7.397 -3.311 4.937 1.00 0.00 C ATOM 527 O TRP A 38 7.698 -2.635 5.920 1.00 0.00 O ATOM 528 CB TRP A 38 5.673 -2.884 3.105 1.00 0.00 C ATOM 529 CG TRP A 38 6.001 -1.397 2.958 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.184 -0.837 2.672 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.080 -0.295 3.101 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.094 0.539 2.621 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.774 0.879 2.890 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.706 -0.290 3.400 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.178 2.145 2.955 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.125 0.982 3.461 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.810 2.174 3.251 1.00 0.00 C ATOM 0 H TRP A 38 5.615 -2.125 6.103 1.00 0.00 H new ATOM 0 HA TRP A 38 5.683 -4.502 4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.263 -3.449 2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.624 -3.041 2.852 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.094 -1.393 2.503 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.856 1.187 2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.143 -1.196 3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.743 3.050 2.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.071 1.042 3.687 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.289 3.118 3.316 1.00 0.00 H new ATOM 548 N GLN A 39 8.265 -3.967 4.182 1.00 0.00 N ATOM 549 CA GLN A 39 9.688 -3.931 4.475 1.00 0.00 C ATOM 550 C GLN A 39 10.470 -3.447 3.252 1.00 0.00 C ATOM 551 O GLN A 39 9.881 -3.135 2.218 1.00 0.00 O ATOM 552 CB GLN A 39 10.187 -5.301 4.938 1.00 0.00 C ATOM 553 CG GLN A 39 10.594 -5.267 6.413 1.00 0.00 C ATOM 554 CD GLN A 39 11.589 -6.384 6.733 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.761 -6.321 6.402 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.057 -7.409 7.394 1.00 0.00 N ATOM 0 H GLN A 39 8.011 -4.527 3.368 1.00 0.00 H new ATOM 0 HA GLN A 39 9.854 -3.226 5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.405 -6.046 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.038 -5.607 4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.039 -4.300 6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.709 -5.372 7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.067 -7.398 7.641 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.639 -8.205 7.654 1.00 0.00 H new ATOM 565 N GLU A 40 11.784 -3.399 3.411 1.00 0.00 N ATOM 566 CA GLU A 40 12.653 -2.958 2.333 1.00 0.00 C ATOM 567 C GLU A 40 12.848 -4.083 1.314 1.00 0.00 C ATOM 568 O GLU A 40 12.972 -5.249 1.688 1.00 0.00 O ATOM 569 CB GLU A 40 13.998 -2.471 2.876 1.00 0.00 C ATOM 570 CG GLU A 40 14.155 -0.962 2.678 1.00 0.00 C ATOM 571 CD GLU A 40 15.290 -0.411 3.544 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.744 -1.165 4.432 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.678 0.751 3.298 1.00 0.00 O ATOM 0 H GLU A 40 12.268 -3.658 4.270 1.00 0.00 H new ATOM 0 HA GLU A 40 12.176 -2.117 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.075 -2.712 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.809 -2.994 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.357 -0.748 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.222 -0.459 2.932 1.00 0.00 H new ATOM 580 N PRO A 41 12.868 -3.685 0.014 1.00 0.00 N ATOM 581 CA PRO A 41 13.046 -4.646 -1.061 1.00 0.00 C ATOM 582 C PRO A 41 14.501 -5.113 -1.144 1.00 0.00 C ATOM 583 O PRO A 41 15.415 -4.377 -0.775 1.00 0.00 O ATOM 584 CB PRO A 41 12.580 -3.925 -2.315 1.00 0.00 C ATOM 585 CG PRO A 41 12.599 -2.444 -1.974 1.00 0.00 C ATOM 586 CD PRO A 41 12.724 -2.314 -0.465 1.00 0.00 C ATOM 0 HA PRO A 41 12.472 -5.560 -0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.238 -4.141 -3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.579 -4.247 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.434 -1.949 -2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.687 -1.960 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.586 -1.706 -0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.845 -1.834 -0.035 1.00 0.00 H new ATOM 594 N GLY A 42 14.670 -6.333 -1.631 1.00 0.00 N ATOM 595 CA GLY A 42 15.998 -6.907 -1.768 1.00 0.00 C ATOM 596 C GLY A 42 16.750 -6.275 -2.942 1.00 0.00 C ATOM 597 O GLY A 42 17.971 -6.132 -2.897 1.00 0.00 O ATOM 0 H GLY A 42 13.909 -6.940 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.561 -6.755 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.919 -7.984 -1.919 1.00 0.00 H new ATOM 601 N GLU A 43 15.989 -5.915 -3.965 1.00 0.00 N ATOM 602 CA GLU A 43 16.567 -5.302 -5.149 1.00 0.00 C ATOM 603 C GLU A 43 16.686 -3.789 -4.959 1.00 0.00 C ATOM 604 O GLU A 43 16.359 -3.019 -5.861 1.00 0.00 O ATOM 605 CB GLU A 43 15.746 -5.636 -6.396 1.00 0.00 C ATOM 606 CG GLU A 43 16.291 -6.884 -7.093 1.00 0.00 C ATOM 607 CD GLU A 43 17.775 -6.721 -7.428 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.060 -6.006 -8.412 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.591 -7.316 -6.691 1.00 0.00 O ATOM 0 H GLU A 43 14.977 -6.036 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 43 17.567 -5.710 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.704 -5.796 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.766 -4.792 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.153 -7.753 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.727 -7.070 -8.007 1.00 0.00 H new ATOM 616 N LYS A 44 17.155 -3.407 -3.780 1.00 0.00 N ATOM 617 CA LYS A 44 17.321 -1.999 -3.461 1.00 0.00 C ATOM 618 C LYS A 44 17.883 -1.267 -4.681 1.00 0.00 C ATOM 619 O LYS A 44 17.561 -0.102 -4.913 1.00 0.00 O ATOM 620 CB LYS A 44 18.170 -1.833 -2.199 1.00 0.00 C ATOM 621 CG LYS A 44 17.409 -2.306 -0.959 1.00 0.00 C ATOM 622 CD LYS A 44 18.071 -1.793 0.321 1.00 0.00 C ATOM 623 CE LYS A 44 17.079 -1.782 1.485 1.00 0.00 C ATOM 624 NZ LYS A 44 17.590 -2.597 2.609 1.00 0.00 N ATOM 0 H LYS A 44 17.425 -4.048 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 44 16.358 -1.544 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.094 -2.401 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.451 -0.786 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.378 -1.955 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.374 -3.395 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.924 -2.424 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.456 -0.787 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.911 -0.758 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.116 -2.171 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.093 -2.333 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.427 -3.605 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.609 -2.427 2.725 1.00 0.00 H new ATOM 638 N ASN A 45 18.713 -1.979 -5.429 1.00 0.00 N ATOM 639 CA ASN A 45 19.323 -1.411 -6.619 1.00 0.00 C ATOM 640 C ASN A 45 19.794 0.012 -6.316 1.00 0.00 C ATOM 641 O ASN A 45 19.870 0.849 -7.214 1.00 0.00 O ATOM 642 CB ASN A 45 18.319 -1.341 -7.772 1.00 0.00 C ATOM 643 CG ASN A 45 18.654 -2.370 -8.853 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.680 -2.307 -9.511 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.733 -3.319 -9.001 1.00 0.00 N ATOM 0 H ASN A 45 18.977 -2.945 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 45 20.159 -2.048 -6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.312 -1.520 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.324 -0.340 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.864 -4.052 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.897 -3.313 -8.417 1.00 0.00 H new ATOM 652 N GLY A 46 20.098 0.243 -5.047 1.00 0.00 N ATOM 653 CA GLY A 46 20.560 1.551 -4.614 1.00 0.00 C ATOM 654 C GLY A 46 19.952 1.927 -3.262 1.00 0.00 C ATOM 655 O GLY A 46 20.015 1.149 -2.311 1.00 0.00 O ATOM 0 H GLY A 46 20.033 -0.454 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.647 1.550 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.291 2.300 -5.359 1.00 0.00 H new ATOM 659 N ILE A 47 19.378 3.120 -3.218 1.00 0.00 N ATOM 660 CA ILE A 47 18.759 3.609 -1.998 1.00 0.00 C ATOM 661 C ILE A 47 17.363 4.145 -2.318 1.00 0.00 C ATOM 662 O ILE A 47 17.159 4.778 -3.353 1.00 0.00 O ATOM 663 CB ILE A 47 19.667 4.630 -1.309 1.00 0.00 C ATOM 664 CG1 ILE A 47 20.847 3.940 -0.622 1.00 0.00 C ATOM 665 CG2 ILE A 47 18.870 5.505 -0.338 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.365 2.821 0.303 1.00 0.00 C ATOM 0 H ILE A 47 19.329 3.763 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 47 18.632 2.796 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 47 20.080 5.289 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.521 3.530 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.416 4.671 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.539 6.222 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.093 6.040 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.410 4.876 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.224 2.347 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.711 3.238 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.817 2.079 -0.278 1.00 0.00 H new ATOM 678 N LEU A 48 16.436 3.871 -1.412 1.00 0.00 N ATOM 679 CA LEU A 48 15.064 4.318 -1.585 1.00 0.00 C ATOM 680 C LEU A 48 14.906 5.712 -0.975 1.00 0.00 C ATOM 681 O LEU A 48 15.482 6.005 0.071 1.00 0.00 O ATOM 682 CB LEU A 48 14.089 3.285 -1.019 1.00 0.00 C ATOM 683 CG LEU A 48 14.464 1.818 -1.238 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.919 1.577 -2.678 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.513 1.362 -0.221 1.00 0.00 C ATOM 0 H LEU A 48 16.608 3.345 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 48 14.822 4.404 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.989 3.458 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.109 3.459 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 48 13.574 1.211 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.180 0.526 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.112 1.837 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.790 2.196 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.762 0.316 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.411 1.971 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.115 1.474 0.787 1.00 0.00 H new ATOM 697 N THR A 49 14.122 6.535 -1.656 1.00 0.00 N ATOM 698 CA THR A 49 13.880 7.892 -1.194 1.00 0.00 C ATOM 699 C THR A 49 12.435 8.042 -0.714 1.00 0.00 C ATOM 700 O THR A 49 12.022 9.128 -0.309 1.00 0.00 O ATOM 701 CB THR A 49 14.246 8.850 -2.330 1.00 0.00 C ATOM 702 OG1 THR A 49 13.563 8.322 -3.463 1.00 0.00 O ATOM 703 CG2 THR A 49 15.725 8.766 -2.713 1.00 0.00 C ATOM 0 H THR A 49 13.646 6.289 -2.524 1.00 0.00 H new ATOM 0 HA THR A 49 14.502 8.134 -0.332 1.00 0.00 H new ATOM 0 HB THR A 49 14.005 9.871 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.744 8.884 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.931 9.466 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.340 9.020 -1.849 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.959 7.753 -3.040 1.00 0.00 H new ATOM 711 N GLY A 50 11.707 6.937 -0.775 1.00 0.00 N ATOM 712 CA GLY A 50 10.317 6.933 -0.351 1.00 0.00 C ATOM 713 C GLY A 50 9.593 5.685 -0.861 1.00 0.00 C ATOM 714 O GLY A 50 10.192 4.844 -1.530 1.00 0.00 O ATOM 0 H GLY A 50 12.053 6.038 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.265 6.969 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.816 7.826 -0.724 1.00 0.00 H new ATOM 718 N TYR A 51 8.314 5.604 -0.525 1.00 0.00 N ATOM 719 CA TYR A 51 7.501 4.473 -0.940 1.00 0.00 C ATOM 720 C TYR A 51 6.096 4.925 -1.341 1.00 0.00 C ATOM 721 O TYR A 51 5.421 5.617 -0.580 1.00 0.00 O ATOM 722 CB TYR A 51 7.400 3.556 0.281 1.00 0.00 C ATOM 723 CG TYR A 51 8.686 2.788 0.590 1.00 0.00 C ATOM 724 CD1 TYR A 51 8.992 1.642 -0.115 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.541 3.241 1.575 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.203 0.918 0.176 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.752 2.518 1.866 1.00 0.00 C ATOM 728 CZ TYR A 51 11.023 1.392 1.153 1.00 0.00 C ATOM 729 OH TYR A 51 12.166 0.709 1.428 1.00 0.00 O ATOM 0 H TYR A 51 7.820 6.303 0.030 1.00 0.00 H new ATOM 0 HA TYR A 51 7.947 3.975 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.128 4.154 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.592 2.842 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.323 1.288 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.302 4.138 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.454 0.020 -0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.430 2.862 2.633 1.00 0.00 H new ATOM 0 HH TYR A 51 12.852 1.333 1.746 1.00 0.00 H new ATOM 739 N ARG A 52 5.696 4.516 -2.536 1.00 0.00 N ATOM 740 CA ARG A 52 4.383 4.871 -3.048 1.00 0.00 C ATOM 741 C ARG A 52 3.350 3.820 -2.633 1.00 0.00 C ATOM 742 O ARG A 52 3.540 2.629 -2.875 1.00 0.00 O ATOM 743 CB ARG A 52 4.399 4.986 -4.573 1.00 0.00 C ATOM 744 CG ARG A 52 3.040 5.451 -5.102 1.00 0.00 C ATOM 745 CD ARG A 52 3.211 6.421 -6.273 1.00 0.00 C ATOM 746 NE ARG A 52 2.984 5.714 -7.553 1.00 0.00 N ATOM 747 CZ ARG A 52 1.791 5.256 -7.957 1.00 0.00 C ATOM 748 NH1 ARG A 52 0.711 5.427 -7.184 1.00 0.00 N ATOM 749 NH2 ARG A 52 1.679 4.626 -9.135 1.00 0.00 N ATOM 0 H ARG A 52 6.258 3.942 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 52 4.112 5.839 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.173 5.689 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.653 4.021 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.456 4.588 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.481 5.936 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.509 7.249 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.213 6.850 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 52 3.786 5.566 -8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.796 5.906 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.197 5.078 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.502 4.495 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.771 4.277 -9.443 1.00 0.00 H new ATOM 763 N ILE A 53 2.280 4.300 -2.016 1.00 0.00 N ATOM 764 CA ILE A 53 1.218 3.417 -1.566 1.00 0.00 C ATOM 765 C ILE A 53 -0.066 3.739 -2.334 1.00 0.00 C ATOM 766 O ILE A 53 -0.306 4.890 -2.695 1.00 0.00 O ATOM 767 CB ILE A 53 1.062 3.498 -0.046 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.067 2.451 0.459 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.678 4.913 0.391 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.020 2.433 1.989 1.00 0.00 C ATOM 0 H ILE A 53 2.126 5.289 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 53 1.468 2.378 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 53 2.026 3.272 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.926 2.667 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.351 1.466 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.573 4.943 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.455 5.613 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.268 5.193 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.695 1.680 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.009 2.193 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.287 3.413 2.355 1.00 0.00 H new ATOM 782 N SER A 54 -0.858 2.701 -2.560 1.00 0.00 N ATOM 783 CA SER A 54 -2.112 2.859 -3.278 1.00 0.00 C ATOM 784 C SER A 54 -3.102 1.775 -2.846 1.00 0.00 C ATOM 785 O SER A 54 -2.889 0.594 -3.113 1.00 0.00 O ATOM 786 CB SER A 54 -1.891 2.805 -4.790 1.00 0.00 C ATOM 787 OG SER A 54 -0.661 2.169 -5.128 1.00 0.00 O ATOM 0 H SER A 54 -0.656 1.748 -2.259 1.00 0.00 H new ATOM 0 HA SER A 54 -2.526 3.838 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.717 2.269 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.898 3.817 -5.194 1.00 0.00 H new ATOM 0 HG SER A 54 -0.749 1.727 -5.998 1.00 0.00 H new ATOM 793 N TRP A 55 -4.163 2.217 -2.187 1.00 0.00 N ATOM 794 CA TRP A 55 -5.187 1.299 -1.716 1.00 0.00 C ATOM 795 C TRP A 55 -6.392 1.415 -2.652 1.00 0.00 C ATOM 796 O TRP A 55 -6.989 2.483 -2.770 1.00 0.00 O ATOM 797 CB TRP A 55 -5.537 1.573 -0.252 1.00 0.00 C ATOM 798 CG TRP A 55 -6.086 2.978 0.004 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.279 3.475 -0.352 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.411 4.053 0.690 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.421 4.786 0.053 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.249 5.149 0.707 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.135 4.097 1.278 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.903 6.370 1.298 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.804 5.324 1.865 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.636 6.437 1.890 1.00 0.00 C ATOM 0 H TRP A 55 -4.336 3.198 -1.968 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.825 0.271 -1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.274 0.840 0.078 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.646 1.426 0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.034 2.919 -0.888 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.236 5.380 -0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.463 3.251 1.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.577 7.214 1.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.834 5.412 2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.307 7.350 2.364 1.00 0.00 H new ATOM 817 N GLU A 56 -6.713 0.300 -3.292 1.00 0.00 N ATOM 818 CA GLU A 56 -7.836 0.263 -4.213 1.00 0.00 C ATOM 819 C GLU A 56 -8.677 -0.993 -3.974 1.00 0.00 C ATOM 820 O GLU A 56 -8.139 -2.056 -3.670 1.00 0.00 O ATOM 821 CB GLU A 56 -7.358 0.336 -5.664 1.00 0.00 C ATOM 822 CG GLU A 56 -7.061 -1.061 -6.214 1.00 0.00 C ATOM 823 CD GLU A 56 -6.553 -0.986 -7.655 1.00 0.00 C ATOM 824 OE1 GLU A 56 -5.659 -0.148 -7.899 1.00 0.00 O ATOM 825 OE2 GLU A 56 -7.070 -1.770 -8.480 1.00 0.00 O ATOM 0 H GLU A 56 -6.215 -0.584 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.462 1.136 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.119 0.818 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.461 0.953 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.316 -1.552 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.963 -1.671 -6.174 1.00 0.00 H new ATOM 832 N GLU A 57 -9.984 -0.828 -4.122 1.00 0.00 N ATOM 833 CA GLU A 57 -10.904 -1.935 -3.927 1.00 0.00 C ATOM 834 C GLU A 57 -10.417 -3.171 -4.687 1.00 0.00 C ATOM 835 O GLU A 57 -9.409 -3.114 -5.390 1.00 0.00 O ATOM 836 CB GLU A 57 -12.322 -1.552 -4.355 1.00 0.00 C ATOM 837 CG GLU A 57 -13.233 -1.376 -3.138 1.00 0.00 C ATOM 838 CD GLU A 57 -14.700 -1.275 -3.562 1.00 0.00 C ATOM 839 OE1 GLU A 57 -15.072 -0.193 -4.065 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.415 -2.283 -3.373 1.00 0.00 O ATOM 0 H GLU A 57 -10.427 0.055 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.933 -2.174 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.295 -0.627 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.729 -2.323 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.104 -2.218 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.946 -0.478 -2.591 1.00 0.00 H new ATOM 847 N TYR A 58 -11.156 -4.258 -4.520 1.00 0.00 N ATOM 848 CA TYR A 58 -10.812 -5.505 -5.181 1.00 0.00 C ATOM 849 C TYR A 58 -10.583 -5.287 -6.678 1.00 0.00 C ATOM 850 O TYR A 58 -9.477 -5.490 -7.177 1.00 0.00 O ATOM 851 CB TYR A 58 -12.016 -6.429 -4.991 1.00 0.00 C ATOM 852 CG TYR A 58 -11.966 -7.700 -5.842 1.00 0.00 C ATOM 853 CD1 TYR A 58 -11.002 -8.658 -5.596 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.883 -7.889 -6.855 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.955 -9.854 -6.396 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.836 -9.085 -7.656 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.874 -10.008 -7.387 1.00 0.00 C ATOM 858 OH TYR A 58 -11.829 -11.138 -8.143 1.00 0.00 O ATOM 0 H TYR A 58 -11.992 -4.301 -3.937 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.895 -5.921 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -12.083 -6.710 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.925 -5.878 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.283 -8.510 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.637 -7.140 -7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.207 -10.612 -6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.548 -9.245 -8.452 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.545 -11.113 -8.811 1.00 0.00 H new ATOM 868 N ASN A 59 -11.646 -4.876 -7.353 1.00 0.00 N ATOM 869 CA ASN A 59 -11.575 -4.627 -8.783 1.00 0.00 C ATOM 870 C ASN A 59 -12.112 -3.226 -9.080 1.00 0.00 C ATOM 871 O ASN A 59 -13.145 -3.078 -9.731 1.00 0.00 O ATOM 872 CB ASN A 59 -12.426 -5.634 -9.560 1.00 0.00 C ATOM 873 CG ASN A 59 -11.803 -5.943 -10.922 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.866 -5.160 -11.855 1.00 0.00 O ATOM 875 ND2 ASN A 59 -11.198 -7.126 -10.984 1.00 0.00 N ATOM 0 H ASN A 59 -12.562 -4.709 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.533 -4.721 -9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.524 -6.554 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.431 -5.236 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.750 -7.425 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.182 -7.734 -10.165 1.00 0.00 H new ATOM 882 N ARG A 60 -11.386 -2.232 -8.589 1.00 0.00 N ATOM 883 CA ARG A 60 -11.776 -0.848 -8.794 1.00 0.00 C ATOM 884 C ARG A 60 -10.566 0.075 -8.628 1.00 0.00 C ATOM 885 O ARG A 60 -10.121 0.325 -7.509 1.00 0.00 O ATOM 886 CB ARG A 60 -12.866 -0.431 -7.804 1.00 0.00 C ATOM 887 CG ARG A 60 -14.082 -1.354 -7.906 1.00 0.00 C ATOM 888 CD ARG A 60 -15.180 -0.924 -6.932 1.00 0.00 C ATOM 889 NE ARG A 60 -16.445 -0.694 -7.666 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.498 -0.039 -7.159 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.445 0.454 -5.914 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.605 0.123 -7.897 1.00 0.00 N ATOM 0 H ARG A 60 -10.530 -2.358 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.168 -0.760 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.470 -0.457 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.168 0.597 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.469 -1.340 -8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.783 -2.380 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.325 -1.692 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.881 -0.014 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.519 -1.057 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.603 0.331 -5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.247 0.953 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.646 -0.252 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.407 0.622 -7.511 1.00 0.00 H new ATOM 906 N THR A 61 -10.070 0.555 -9.758 1.00 0.00 N ATOM 907 CA THR A 61 -8.920 1.444 -9.752 1.00 0.00 C ATOM 908 C THR A 61 -9.349 2.867 -9.387 1.00 0.00 C ATOM 909 O THR A 61 -8.544 3.654 -8.892 1.00 0.00 O ATOM 910 CB THR A 61 -8.240 1.346 -11.119 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.770 0.002 -11.177 1.00 0.00 O ATOM 912 CG2 THR A 61 -6.966 2.190 -11.200 1.00 0.00 C ATOM 0 H THR A 61 -10.443 0.346 -10.684 1.00 0.00 H new ATOM 0 HA THR A 61 -8.196 1.151 -8.991 1.00 0.00 H new ATOM 0 HB THR A 61 -8.936 1.664 -11.895 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.594 -0.322 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.522 2.085 -12.190 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.211 3.237 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.256 1.850 -10.446 1.00 0.00 H new ATOM 920 N ASN A 62 -10.616 3.154 -9.647 1.00 0.00 N ATOM 921 CA ASN A 62 -11.161 4.468 -9.352 1.00 0.00 C ATOM 922 C ASN A 62 -11.110 4.710 -7.842 1.00 0.00 C ATOM 923 O ASN A 62 -11.209 5.849 -7.389 1.00 0.00 O ATOM 924 CB ASN A 62 -12.621 4.572 -9.798 1.00 0.00 C ATOM 925 CG ASN A 62 -13.186 5.963 -9.507 1.00 0.00 C ATOM 926 OD1 ASN A 62 -12.464 6.919 -9.277 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.514 6.024 -9.531 1.00 0.00 N ATOM 0 H ASN A 62 -11.281 2.499 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.566 5.207 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.695 4.362 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.217 3.819 -9.283 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.987 6.909 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.060 5.185 -9.730 1.00 0.00 H new ATOM 934 N THR A 63 -10.955 3.620 -7.106 1.00 0.00 N ATOM 935 CA THR A 63 -10.890 3.699 -5.656 1.00 0.00 C ATOM 936 C THR A 63 -9.439 3.598 -5.182 1.00 0.00 C ATOM 937 O THR A 63 -9.180 3.214 -4.043 1.00 0.00 O ATOM 938 CB THR A 63 -11.794 2.607 -5.082 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.583 1.492 -5.944 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.280 2.930 -5.247 1.00 0.00 C ATOM 0 H THR A 63 -10.872 2.677 -7.486 1.00 0.00 H new ATOM 0 HA THR A 63 -11.251 4.662 -5.295 1.00 0.00 H new ATOM 0 HB THR A 63 -11.568 2.468 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.622 1.376 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.877 2.123 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.509 3.862 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.514 3.036 -6.306 1.00 0.00 H new ATOM 948 N ARG A 64 -8.530 3.951 -6.080 1.00 0.00 N ATOM 949 CA ARG A 64 -7.112 3.905 -5.767 1.00 0.00 C ATOM 950 C ARG A 64 -6.629 5.276 -5.290 1.00 0.00 C ATOM 951 O ARG A 64 -7.120 6.306 -5.750 1.00 0.00 O ATOM 952 CB ARG A 64 -6.293 3.479 -6.987 1.00 0.00 C ATOM 953 CG ARG A 64 -4.857 3.131 -6.589 1.00 0.00 C ATOM 954 CD ARG A 64 -3.875 3.493 -7.705 1.00 0.00 C ATOM 955 NE ARG A 64 -2.938 2.372 -7.939 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.054 2.329 -8.945 1.00 0.00 C ATOM 957 NH1 ARG A 64 -1.982 3.343 -9.817 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.243 1.270 -9.079 1.00 0.00 N ATOM 0 H ARG A 64 -8.748 4.270 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.971 3.171 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.762 2.617 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.286 4.283 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.589 3.665 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.785 2.066 -6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.420 3.719 -8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.320 4.391 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.967 1.582 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.600 4.148 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.309 3.310 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.299 0.497 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.570 1.237 -9.845 1.00 0.00 H new ATOM 972 N VAL A 65 -5.673 5.245 -4.374 1.00 0.00 N ATOM 973 CA VAL A 65 -5.118 6.473 -3.829 1.00 0.00 C ATOM 974 C VAL A 65 -3.621 6.533 -4.142 1.00 0.00 C ATOM 975 O VAL A 65 -2.999 5.509 -4.418 1.00 0.00 O ATOM 976 CB VAL A 65 -5.420 6.565 -2.332 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.888 7.874 -1.745 1.00 0.00 C ATOM 978 CG2 VAL A 65 -6.919 6.413 -2.065 1.00 0.00 C ATOM 0 H VAL A 65 -5.268 4.389 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.583 7.342 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.906 5.742 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.116 7.914 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.809 7.924 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.360 8.717 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.107 6.482 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.463 7.205 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.257 5.443 -2.431 1.00 0.00 H new ATOM 988 N THR A 66 -3.087 7.745 -4.088 1.00 0.00 N ATOM 989 CA THR A 66 -1.675 7.952 -4.361 1.00 0.00 C ATOM 990 C THR A 66 -1.028 8.765 -3.238 1.00 0.00 C ATOM 991 O THR A 66 -1.246 9.971 -3.134 1.00 0.00 O ATOM 992 CB THR A 66 -1.552 8.612 -5.737 1.00 0.00 C ATOM 993 OG1 THR A 66 -1.934 7.586 -6.649 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.101 8.922 -6.110 1.00 0.00 C ATOM 0 H THR A 66 -3.606 8.593 -3.859 1.00 0.00 H new ATOM 0 HA THR A 66 -1.134 7.006 -4.388 1.00 0.00 H new ATOM 0 HB THR A 66 -2.135 9.533 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.885 7.928 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.070 9.389 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.327 9.601 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.475 7.997 -6.129 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.244 8.071 -2.426 1.00 0.00 N ATOM 1003 CA HIS A 67 0.436 8.713 -1.314 1.00 0.00 C ATOM 1004 C HIS A 67 1.949 8.543 -1.471 1.00 0.00 C ATOM 1005 O HIS A 67 2.406 7.657 -2.190 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.084 8.180 0.023 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.397 8.788 0.457 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.427 8.262 1.179 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.760 10.087 0.146 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.368 9.189 1.305 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.957 10.321 0.664 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.065 7.071 -2.516 1.00 0.00 H new ATOM 0 HA HIS A 67 0.222 9.782 -1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.202 7.099 -0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.664 8.368 0.793 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.467 7.316 1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.169 10.790 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.305 9.067 1.829 1.00 0.00 H new ATOM 1019 N TYR A 68 2.683 9.407 -0.785 1.00 0.00 N ATOM 1020 CA TYR A 68 4.135 9.364 -0.839 1.00 0.00 C ATOM 1021 C TYR A 68 4.738 9.416 0.566 1.00 0.00 C ATOM 1022 O TYR A 68 4.420 10.309 1.349 1.00 0.00 O ATOM 1023 CB TYR A 68 4.565 10.612 -1.612 1.00 0.00 C ATOM 1024 CG TYR A 68 4.241 10.561 -3.107 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.756 9.548 -3.891 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.433 11.527 -3.671 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.451 9.500 -5.297 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.128 11.479 -5.078 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.651 10.468 -5.821 1.00 0.00 C ATOM 1030 OH TYR A 68 3.363 10.423 -7.150 1.00 0.00 O ATOM 0 H TYR A 68 2.300 10.141 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 68 4.474 8.442 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.078 11.483 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.639 10.752 -1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.388 8.792 -3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.029 12.319 -3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.848 8.714 -5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.498 12.229 -5.532 1.00 0.00 H new ATOM 0 HH TYR A 68 2.781 11.176 -7.384 1.00 0.00 H new ATOM 1040 N LEU A 69 5.597 8.446 0.842 1.00 0.00 N ATOM 1041 CA LEU A 69 6.247 8.370 2.140 1.00 0.00 C ATOM 1042 C LEU A 69 7.765 8.391 1.946 1.00 0.00 C ATOM 1043 O LEU A 69 8.259 8.119 0.853 1.00 0.00 O ATOM 1044 CB LEU A 69 5.744 7.155 2.921 1.00 0.00 C ATOM 1045 CG LEU A 69 4.249 6.852 2.800 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.963 5.377 3.086 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.427 7.779 3.698 1.00 0.00 C ATOM 0 H LEU A 69 5.858 7.706 0.190 1.00 0.00 H new ATOM 0 HA LEU A 69 5.990 9.238 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.300 6.279 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.981 7.302 3.975 1.00 0.00 H new ATOM 0 HG LEU A 69 3.944 7.046 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.893 5.189 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.504 4.756 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.288 5.133 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.368 7.542 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.728 7.641 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.598 8.815 3.405 1.00 0.00 H new ATOM 1059 N PRO A 70 8.481 8.724 3.053 1.00 0.00 N ATOM 1060 CA PRO A 70 9.932 8.784 3.016 1.00 0.00 C ATOM 1061 C PRO A 70 10.539 7.380 3.005 1.00 0.00 C ATOM 1062 O PRO A 70 9.820 6.388 3.118 1.00 0.00 O ATOM 1063 CB PRO A 70 10.324 9.591 4.244 1.00 0.00 C ATOM 1064 CG PRO A 70 9.118 9.556 5.168 1.00 0.00 C ATOM 1065 CD PRO A 70 7.930 9.053 4.365 1.00 0.00 C ATOM 0 HA PRO A 70 10.310 9.255 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.201 9.162 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.579 10.616 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.308 8.902 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.915 10.549 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.476 8.180 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.153 9.814 4.289 1.00 0.00 H new ATOM 1073 N ASN A 71 11.856 7.340 2.868 1.00 0.00 N ATOM 1074 CA ASN A 71 12.567 6.073 2.841 1.00 0.00 C ATOM 1075 C ASN A 71 12.843 5.617 4.275 1.00 0.00 C ATOM 1076 O ASN A 71 13.712 4.778 4.507 1.00 0.00 O ATOM 1077 CB ASN A 71 13.911 6.212 2.123 1.00 0.00 C ATOM 1078 CG ASN A 71 14.936 6.922 3.009 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.626 7.845 3.744 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.171 6.442 2.899 1.00 0.00 N ATOM 0 H ASN A 71 12.449 8.164 2.775 1.00 0.00 H new ATOM 0 HA ASN A 71 11.947 5.350 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.284 5.225 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.776 6.771 1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.927 6.849 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.362 5.667 2.264 1.00 0.00 H new ATOM 1087 N VAL A 72 12.086 6.189 5.200 1.00 0.00 N ATOM 1088 CA VAL A 72 12.237 5.851 6.605 1.00 0.00 C ATOM 1089 C VAL A 72 10.970 5.148 7.096 1.00 0.00 C ATOM 1090 O VAL A 72 11.003 4.427 8.092 1.00 0.00 O ATOM 1091 CB VAL A 72 12.574 7.107 7.412 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.786 7.830 6.820 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.367 8.043 7.500 1.00 0.00 C ATOM 0 H VAL A 72 11.366 6.884 5.004 1.00 0.00 H new ATOM 0 HA VAL A 72 13.067 5.158 6.744 1.00 0.00 H new ATOM 0 HB VAL A 72 12.831 6.795 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.004 8.719 7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.649 7.164 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.569 8.123 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.634 8.927 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.066 8.343 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.541 7.526 7.988 1.00 0.00 H new ATOM 1103 N THR A 73 9.885 5.382 6.373 1.00 0.00 N ATOM 1104 CA THR A 73 8.609 4.779 6.723 1.00 0.00 C ATOM 1105 C THR A 73 8.297 3.610 5.786 1.00 0.00 C ATOM 1106 O THR A 73 8.624 3.656 4.601 1.00 0.00 O ATOM 1107 CB THR A 73 7.545 5.878 6.699 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.785 6.620 7.892 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.130 5.326 6.881 1.00 0.00 C ATOM 0 H THR A 73 9.862 5.980 5.547 1.00 0.00 H new ATOM 0 HA THR A 73 8.634 4.353 7.726 1.00 0.00 H new ATOM 0 HB THR A 73 7.604 6.420 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.140 7.355 7.956 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.413 6.147 6.856 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.907 4.625 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.060 4.812 7.840 1.00 0.00 H new ATOM 1117 N LEU A 74 7.669 2.591 6.353 1.00 0.00 N ATOM 1118 CA LEU A 74 7.309 1.412 5.583 1.00 0.00 C ATOM 1119 C LEU A 74 5.896 0.969 5.968 1.00 0.00 C ATOM 1120 O LEU A 74 5.465 -0.125 5.607 1.00 0.00 O ATOM 1121 CB LEU A 74 8.365 0.319 5.753 1.00 0.00 C ATOM 1122 CG LEU A 74 9.817 0.794 5.829 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.613 -0.032 6.841 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.469 0.787 4.444 1.00 0.00 C ATOM 0 H LEU A 74 7.400 2.557 7.336 1.00 0.00 H new ATOM 0 HA LEU A 74 7.291 1.642 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.138 -0.239 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.275 -0.378 4.920 1.00 0.00 H new ATOM 0 HG LEU A 74 9.821 1.825 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.642 0.327 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.161 0.068 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.604 -1.080 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.501 1.129 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.453 -0.225 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.918 1.452 3.779 1.00 0.00 H new ATOM 1136 N GLU A 75 5.215 1.840 6.698 1.00 0.00 N ATOM 1137 CA GLU A 75 3.860 1.552 7.136 1.00 0.00 C ATOM 1138 C GLU A 75 3.031 2.837 7.180 1.00 0.00 C ATOM 1139 O GLU A 75 3.546 3.901 7.521 1.00 0.00 O ATOM 1140 CB GLU A 75 3.861 0.854 8.498 1.00 0.00 C ATOM 1141 CG GLU A 75 4.381 1.788 9.592 1.00 0.00 C ATOM 1142 CD GLU A 75 5.814 1.425 9.988 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.553 0.970 9.088 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.137 1.609 11.181 1.00 0.00 O ATOM 0 H GLU A 75 5.576 2.746 6.997 1.00 0.00 H new ATOM 0 HA GLU A 75 3.403 0.873 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.851 0.527 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.483 -0.040 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.347 2.819 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.732 1.727 10.466 1.00 0.00 H new ATOM 1151 N TYR A 76 1.761 2.697 6.829 1.00 0.00 N ATOM 1152 CA TYR A 76 0.856 3.834 6.823 1.00 0.00 C ATOM 1153 C TYR A 76 -0.577 3.395 7.130 1.00 0.00 C ATOM 1154 O TYR A 76 -0.955 2.258 6.851 1.00 0.00 O ATOM 1155 CB TYR A 76 0.909 4.408 5.406 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.060 5.568 5.168 1.00 0.00 C ATOM 1157 CD1 TYR A 76 0.341 6.864 5.417 1.00 0.00 C ATOM 1158 CD2 TYR A 76 -1.336 5.317 4.705 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -0.571 7.956 5.193 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -2.248 6.408 4.481 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.821 7.674 4.736 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.682 8.705 4.525 1.00 0.00 O ATOM 0 H TYR A 76 1.337 1.813 6.547 1.00 0.00 H new ATOM 0 HA TYR A 76 1.149 4.562 7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.924 4.748 5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.689 3.612 4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.339 7.060 5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.650 4.302 4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.269 8.975 5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.249 6.225 4.119 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.537 8.355 4.198 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.335 4.320 7.701 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.719 4.043 8.049 1.00 0.00 C ATOM 1174 C ARG A 77 -3.647 4.455 6.904 1.00 0.00 C ATOM 1175 O ARG A 77 -3.636 5.608 6.476 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.127 4.789 9.320 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.557 4.433 9.730 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.635 4.108 11.223 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.100 5.238 12.015 1.00 0.00 N ATOM 1180 CZ ARG A 77 -4.406 5.466 13.300 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -5.246 4.645 13.945 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -3.873 6.516 13.939 1.00 0.00 N ATOM 0 H ARG A 77 -1.017 5.262 7.931 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.808 2.971 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.440 4.539 10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.049 5.864 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.223 5.265 9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.903 3.578 9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.669 3.911 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.067 3.202 11.437 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.458 5.883 11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.653 3.846 13.458 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.479 4.819 14.923 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.235 7.142 13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.106 6.690 14.917 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.427 3.489 6.441 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.359 3.737 5.354 1.00 0.00 C ATOM 1198 C VAL A 78 -6.747 4.019 5.933 1.00 0.00 C ATOM 1199 O VAL A 78 -7.129 3.441 6.949 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.347 2.561 4.376 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.216 2.856 3.152 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.918 2.208 3.960 1.00 0.00 C ATOM 0 H VAL A 78 -4.433 2.534 6.799 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.058 4.617 4.786 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.771 1.697 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.190 2.004 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.243 3.035 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.835 3.740 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.938 1.369 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.457 3.069 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.339 1.934 4.842 1.00 0.00 H new ATOM 1212 N THR A 79 -7.464 4.907 5.260 1.00 0.00 N ATOM 1213 CA THR A 79 -8.802 5.273 5.695 1.00 0.00 C ATOM 1214 C THR A 79 -9.639 5.745 4.504 1.00 0.00 C ATOM 1215 O THR A 79 -9.116 6.366 3.580 1.00 0.00 O ATOM 1216 CB THR A 79 -8.669 6.323 6.799 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.812 7.313 6.236 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.892 5.804 8.011 1.00 0.00 C ATOM 0 H THR A 79 -7.144 5.384 4.417 1.00 0.00 H new ATOM 0 HA THR A 79 -9.334 4.415 6.106 1.00 0.00 H new ATOM 0 HB THR A 79 -9.662 6.645 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.674 8.034 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.827 6.589 8.765 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.407 4.940 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.888 5.513 7.702 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.925 5.432 4.565 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.840 5.817 3.504 1.00 0.00 C ATOM 1228 C GLY A 80 -12.204 4.614 2.631 1.00 0.00 C ATOM 1229 O GLY A 80 -12.671 4.778 1.505 1.00 0.00 O ATOM 0 H GLY A 80 -11.355 4.916 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.745 6.244 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.384 6.593 2.889 1.00 0.00 H new ATOM 1233 N LEU A 81 -11.975 3.432 3.184 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.273 2.202 2.470 1.00 0.00 C ATOM 1235 C LEU A 81 -13.768 1.897 2.589 1.00 0.00 C ATOM 1236 O LEU A 81 -14.596 2.806 2.545 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.373 1.066 2.961 1.00 0.00 C ATOM 1238 CG LEU A 81 -9.921 1.443 3.261 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.286 0.447 4.234 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.112 1.578 1.970 1.00 0.00 C ATOM 0 H LEU A 81 -11.587 3.300 4.118 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.054 2.316 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.813 0.646 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.375 0.277 2.209 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.915 2.418 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.254 0.738 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.846 0.444 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.305 -0.551 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.084 1.847 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.123 0.630 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.552 2.354 1.344 1.00 0.00 H new ATOM 1252 N THR A 82 -14.068 0.616 2.738 1.00 0.00 N ATOM 1253 CA THR A 82 -15.449 0.180 2.864 1.00 0.00 C ATOM 1254 C THR A 82 -15.550 -0.999 3.834 1.00 0.00 C ATOM 1255 O THR A 82 -14.641 -1.824 3.910 1.00 0.00 O ATOM 1256 CB THR A 82 -15.974 -0.139 1.463 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.495 0.937 0.659 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.497 -0.026 1.368 1.00 0.00 C ATOM 0 H THR A 82 -13.379 -0.135 2.774 1.00 0.00 H new ATOM 0 HA THR A 82 -16.074 0.965 3.290 1.00 0.00 H new ATOM 0 HB THR A 82 -15.667 -1.146 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.568 0.761 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.817 -0.263 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.958 -0.725 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.803 0.990 1.617 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.663 -1.041 4.550 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.895 -2.105 5.512 1.00 0.00 C ATOM 1268 C ALA A 83 -17.180 -3.409 4.764 1.00 0.00 C ATOM 1269 O ALA A 83 -17.913 -3.415 3.777 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.038 -1.708 6.448 1.00 0.00 C ATOM 0 H ALA A 83 -17.415 -0.355 4.483 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.010 -2.265 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.212 -2.507 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.774 -0.792 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.944 -1.542 5.866 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.584 -4.483 5.263 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.765 -5.789 4.654 1.00 0.00 C ATOM 1278 C LEU A 84 -16.554 -5.677 3.143 1.00 0.00 C ATOM 1279 O LEU A 84 -17.434 -6.035 2.362 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.122 -6.379 5.044 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.388 -6.518 6.544 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.528 -7.502 6.810 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.111 -6.904 7.293 1.00 0.00 C ATOM 0 H LEU A 84 -15.976 -4.475 6.082 1.00 0.00 H new ATOM 0 HA LEU A 84 -16.019 -6.490 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.905 -5.755 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.212 -7.364 4.587 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.705 -5.548 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.696 -7.582 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.437 -7.145 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.264 -8.481 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.327 -6.996 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.741 -7.856 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.354 -6.134 7.142 1.00 0.00 H new ATOM 1295 N THR A 85 -15.382 -5.179 2.777 1.00 0.00 N ATOM 1296 CA THR A 85 -15.045 -5.015 1.373 1.00 0.00 C ATOM 1297 C THR A 85 -13.598 -5.441 1.120 1.00 0.00 C ATOM 1298 O THR A 85 -12.727 -5.226 1.961 1.00 0.00 O ATOM 1299 CB THR A 85 -15.327 -3.562 0.986 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.746 -3.504 0.867 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.821 -3.221 -0.418 1.00 0.00 C ATOM 0 H THR A 85 -14.654 -4.884 3.428 1.00 0.00 H new ATOM 0 HA THR A 85 -15.656 -5.659 0.741 1.00 0.00 H new ATOM 0 HB THR A 85 -14.860 -2.896 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.147 -3.444 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.046 -2.179 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.743 -3.377 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.313 -3.864 -1.148 1.00 0.00 H new ATOM 1309 N THR A 86 -13.385 -6.037 -0.044 1.00 0.00 N ATOM 1310 CA THR A 86 -12.059 -6.496 -0.420 1.00 0.00 C ATOM 1311 C THR A 86 -11.266 -5.360 -1.069 1.00 0.00 C ATOM 1312 O THR A 86 -11.653 -4.849 -2.119 1.00 0.00 O ATOM 1313 CB THR A 86 -12.219 -7.719 -1.324 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.861 -8.683 -0.493 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.878 -8.366 -1.678 1.00 0.00 C ATOM 0 H THR A 86 -14.110 -6.213 -0.740 1.00 0.00 H new ATOM 0 HA THR A 86 -11.482 -6.795 0.455 1.00 0.00 H new ATOM 0 HB THR A 86 -12.734 -7.428 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.005 -9.509 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.049 -9.229 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.252 -7.643 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.377 -8.687 -0.765 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.171 -4.997 -0.418 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.320 -3.931 -0.919 1.00 0.00 C ATOM 1325 C TYR A 87 -7.897 -4.435 -1.167 1.00 0.00 C ATOM 1326 O TYR A 87 -7.439 -5.364 -0.503 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.287 -2.866 0.180 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.358 -1.785 0.031 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -10.103 -0.660 -0.728 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.580 -1.933 0.655 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -11.112 0.358 -0.868 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.588 -0.914 0.515 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.304 0.181 -0.240 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.257 1.142 -0.372 1.00 0.00 O ATOM 0 H TYR A 87 -9.853 -5.422 0.453 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.704 -3.546 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.409 -3.353 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.305 -2.392 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.147 -0.544 -1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.780 -2.813 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.925 1.242 -1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.548 -1.017 0.999 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.157 1.585 -1.240 1.00 0.00 H new ATOM 1344 N THR A 88 -7.238 -3.801 -2.125 1.00 0.00 N ATOM 1345 CA THR A 88 -5.876 -4.174 -2.470 1.00 0.00 C ATOM 1346 C THR A 88 -4.933 -2.985 -2.278 1.00 0.00 C ATOM 1347 O THR A 88 -5.034 -1.987 -2.991 1.00 0.00 O ATOM 1348 CB THR A 88 -5.883 -4.721 -3.899 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.873 -6.136 -3.729 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.580 -4.426 -4.645 1.00 0.00 C ATOM 0 H THR A 88 -7.621 -3.031 -2.674 1.00 0.00 H new ATOM 0 HA THR A 88 -5.500 -4.956 -1.810 1.00 0.00 H new ATOM 0 HB THR A 88 -6.721 -4.291 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.878 -6.571 -4.607 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.637 -4.835 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.428 -3.348 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.745 -4.884 -4.114 1.00 0.00 H new ATOM 1358 N ILE A 89 -4.037 -3.131 -1.313 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.077 -2.081 -1.019 1.00 0.00 C ATOM 1360 C ILE A 89 -1.774 -2.363 -1.770 1.00 0.00 C ATOM 1361 O ILE A 89 -1.142 -3.397 -1.558 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.895 -1.929 0.492 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.219 -2.143 1.228 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.259 -0.580 0.835 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.292 -1.179 0.717 1.00 0.00 C ATOM 0 H ILE A 89 -3.956 -3.960 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.446 -1.118 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.209 -2.704 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.554 -3.171 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.072 -1.996 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.141 -0.498 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.282 -0.506 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.900 0.226 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.223 -1.352 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.965 -0.152 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.453 -1.346 -0.348 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.411 -1.425 -2.633 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.195 -1.560 -3.417 1.00 0.00 C ATOM 1379 C GLU A 90 0.911 -0.675 -2.837 1.00 0.00 C ATOM 1380 O GLU A 90 0.773 0.546 -2.791 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.450 -1.225 -4.888 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.735 -1.889 -5.386 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.766 -0.841 -5.810 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.587 -0.284 -6.915 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.709 -0.620 -5.020 1.00 0.00 O ATOM 0 H GLU A 90 -1.938 -0.569 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 90 0.133 -2.598 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.523 -0.144 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.394 -1.558 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.508 -2.542 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.152 -2.517 -4.599 1.00 0.00 H new ATOM 1392 N VAL A 91 1.983 -1.327 -2.410 1.00 0.00 N ATOM 1393 CA VAL A 91 3.111 -0.614 -1.835 1.00 0.00 C ATOM 1394 C VAL A 91 4.324 -0.760 -2.757 1.00 0.00 C ATOM 1395 O VAL A 91 4.774 -1.873 -3.025 1.00 0.00 O ATOM 1396 CB VAL A 91 3.377 -1.115 -0.414 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.630 -0.461 0.172 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.163 -0.878 0.487 1.00 0.00 C ATOM 0 H VAL A 91 2.094 -2.340 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 91 2.890 0.450 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 91 3.552 -2.190 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.797 -0.834 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.491 -0.702 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.496 0.620 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.378 -1.243 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.943 0.189 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.302 -1.411 0.084 1.00 0.00 H new ATOM 1408 N ALA A 92 4.818 0.380 -3.217 1.00 0.00 N ATOM 1409 CA ALA A 92 5.970 0.393 -4.103 1.00 0.00 C ATOM 1410 C ALA A 92 7.079 1.240 -3.477 1.00 0.00 C ATOM 1411 O ALA A 92 6.814 2.083 -2.621 1.00 0.00 O ATOM 1412 CB ALA A 92 5.549 0.907 -5.480 1.00 0.00 C ATOM 0 H ALA A 92 4.442 1.301 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 92 6.362 -0.615 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.413 0.917 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.781 0.253 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.153 1.918 -5.385 1.00 0.00 H new ATOM 1418 N ALA A 93 8.299 0.988 -3.930 1.00 0.00 N ATOM 1419 CA ALA A 93 9.450 1.718 -3.425 1.00 0.00 C ATOM 1420 C ALA A 93 9.782 2.864 -4.384 1.00 0.00 C ATOM 1421 O ALA A 93 9.268 2.912 -5.500 1.00 0.00 O ATOM 1422 CB ALA A 93 10.624 0.755 -3.239 1.00 0.00 C ATOM 0 H ALA A 93 8.515 0.289 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 93 9.230 2.156 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.487 1.302 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.347 -0.023 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.875 0.299 -4.196 1.00 0.00 H new ATOM 1428 N MET A 94 10.639 3.757 -3.912 1.00 0.00 N ATOM 1429 CA MET A 94 11.046 4.899 -4.714 1.00 0.00 C ATOM 1430 C MET A 94 12.538 5.189 -4.537 1.00 0.00 C ATOM 1431 O MET A 94 13.038 5.227 -3.414 1.00 0.00 O ATOM 1432 CB MET A 94 10.234 6.128 -4.300 1.00 0.00 C ATOM 1433 CG MET A 94 8.784 6.013 -4.776 1.00 0.00 C ATOM 1434 SD MET A 94 7.964 7.591 -4.620 1.00 0.00 S ATOM 1435 CE MET A 94 7.718 7.639 -2.853 1.00 0.00 C ATOM 0 H MET A 94 11.063 3.713 -2.985 1.00 0.00 H new ATOM 0 HA MET A 94 10.862 4.667 -5.763 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.257 6.235 -3.216 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.688 7.026 -4.719 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.758 5.682 -5.814 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.258 5.261 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.151 8.532 -2.589 1.00 0.00 H new ATOM 0 HE2 MET A 94 7.167 6.753 -2.538 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.685 7.662 -2.351 1.00 0.00 H new ATOM 1445 N THR A 95 13.207 5.388 -5.663 1.00 0.00 N ATOM 1446 CA THR A 95 14.631 5.674 -5.647 1.00 0.00 C ATOM 1447 C THR A 95 14.910 7.033 -6.292 1.00 0.00 C ATOM 1448 O THR A 95 13.992 7.825 -6.500 1.00 0.00 O ATOM 1449 CB THR A 95 15.354 4.515 -6.337 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.400 4.017 -7.270 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.603 3.336 -5.393 1.00 0.00 C ATOM 0 H THR A 95 12.789 5.357 -6.593 1.00 0.00 H new ATOM 0 HA THR A 95 15.007 5.750 -4.627 1.00 0.00 H new ATOM 0 HB THR A 95 16.305 4.867 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.866 3.641 -8.046 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.118 2.541 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.218 3.664 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.650 2.962 -5.019 1.00 0.00 H new ATOM 1459 N SER A 96 16.180 7.261 -6.590 1.00 0.00 N ATOM 1460 CA SER A 96 16.591 8.511 -7.207 1.00 0.00 C ATOM 1461 C SER A 96 16.369 8.446 -8.720 1.00 0.00 C ATOM 1462 O SER A 96 16.761 9.356 -9.448 1.00 0.00 O ATOM 1463 CB SER A 96 18.057 8.821 -6.899 1.00 0.00 C ATOM 1464 OG SER A 96 18.942 7.899 -7.530 1.00 0.00 O ATOM 0 H SER A 96 16.938 6.602 -6.416 1.00 0.00 H new ATOM 0 HA SER A 96 15.982 9.314 -6.791 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.291 9.833 -7.230 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.214 8.794 -5.821 1.00 0.00 H new ATOM 0 HG SER A 96 19.868 8.132 -7.310 1.00 0.00 H new ATOM 1470 N LYS A 97 15.741 7.360 -9.147 1.00 0.00 N ATOM 1471 CA LYS A 97 15.462 7.165 -10.560 1.00 0.00 C ATOM 1472 C LYS A 97 13.948 7.165 -10.781 1.00 0.00 C ATOM 1473 O LYS A 97 13.462 7.713 -11.769 1.00 0.00 O ATOM 1474 CB LYS A 97 16.158 5.903 -11.074 1.00 0.00 C ATOM 1475 CG LYS A 97 15.136 4.855 -11.517 1.00 0.00 C ATOM 1476 CD LYS A 97 14.544 5.210 -12.883 1.00 0.00 C ATOM 1477 CE LYS A 97 13.015 5.155 -12.848 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.509 4.180 -13.840 1.00 0.00 N ATOM 0 H LYS A 97 15.418 6.607 -8.540 1.00 0.00 H new ATOM 0 HA LYS A 97 15.870 7.988 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.809 6.158 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.793 5.489 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.612 3.876 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.338 4.785 -10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.869 6.208 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.919 4.518 -13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.678 4.875 -11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.605 6.143 -13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.470 4.155 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.815 4.463 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.886 3.236 -13.622 1.00 0.00 H new ATOM 1492 N GLY A 98 13.245 6.545 -9.845 1.00 0.00 N ATOM 1493 CA GLY A 98 11.797 6.467 -9.925 1.00 0.00 C ATOM 1494 C GLY A 98 11.254 5.377 -8.999 1.00 0.00 C ATOM 1495 O GLY A 98 11.893 5.025 -8.008 1.00 0.00 O ATOM 0 H GLY A 98 13.652 6.092 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.362 7.429 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.497 6.259 -10.952 1.00 0.00 H new ATOM 1499 N GLN A 99 10.081 4.873 -9.354 1.00 0.00 N ATOM 1500 CA GLN A 99 9.445 3.830 -8.566 1.00 0.00 C ATOM 1501 C GLN A 99 9.660 2.465 -9.222 1.00 0.00 C ATOM 1502 O GLN A 99 9.647 2.352 -10.447 1.00 0.00 O ATOM 1503 CB GLN A 99 7.955 4.119 -8.376 1.00 0.00 C ATOM 1504 CG GLN A 99 7.309 3.081 -7.456 1.00 0.00 C ATOM 1505 CD GLN A 99 5.874 2.778 -7.894 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.973 3.635 -7.422 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.604 1.830 -8.612 1.00 0.00 N flip ATOM 0 H GLN A 99 9.554 5.167 -10.176 1.00 0.00 H new ATOM 0 HA GLN A 99 9.907 3.814 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.825 5.116 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.454 4.115 -9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.898 2.164 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.310 3.448 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.345 1.211 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.637 1.656 -8.885 1.00 0.00 H new ATOM 1516 N GLY A 100 9.852 1.462 -8.378 1.00 0.00 N ATOM 1517 CA GLY A 100 10.069 0.109 -8.860 1.00 0.00 C ATOM 1518 C GLY A 100 8.807 -0.741 -8.696 1.00 0.00 C ATOM 1519 O GLY A 100 7.695 -0.216 -8.709 1.00 0.00 O ATOM 0 H GLY A 100 9.862 1.560 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.360 0.136 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.893 -0.348 -8.312 1.00 0.00 H new ATOM 1523 N GLN A 101 9.022 -2.040 -8.545 1.00 0.00 N ATOM 1524 CA GLN A 101 7.916 -2.967 -8.378 1.00 0.00 C ATOM 1525 C GLN A 101 6.945 -2.450 -7.314 1.00 0.00 C ATOM 1526 O GLN A 101 7.248 -1.490 -6.606 1.00 0.00 O ATOM 1527 CB GLN A 101 8.423 -4.366 -8.023 1.00 0.00 C ATOM 1528 CG GLN A 101 7.674 -5.438 -8.818 1.00 0.00 C ATOM 1529 CD GLN A 101 8.650 -6.416 -9.474 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.850 -6.201 -9.516 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.071 -7.500 -9.983 1.00 0.00 N ATOM 0 H GLN A 101 9.946 -2.472 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 101 7.382 -3.039 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.491 -4.433 -8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.294 -4.543 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.999 -5.981 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.058 -4.965 -9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.060 -7.618 -9.914 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.638 -8.213 -10.442 1.00 0.00 H new ATOM 1540 N VAL A 102 5.798 -3.108 -7.235 1.00 0.00 N ATOM 1541 CA VAL A 102 4.782 -2.727 -6.270 1.00 0.00 C ATOM 1542 C VAL A 102 4.195 -3.986 -5.629 1.00 0.00 C ATOM 1543 O VAL A 102 3.942 -4.976 -6.314 1.00 0.00 O ATOM 1544 CB VAL A 102 3.724 -1.850 -6.943 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.538 -2.691 -7.420 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.261 -0.732 -6.006 1.00 0.00 C ATOM 0 H VAL A 102 5.550 -3.903 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 102 5.220 -2.130 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 102 4.180 -1.387 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.800 -2.044 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.884 -3.434 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.083 -3.195 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.509 -0.124 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.831 -1.168 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.112 -0.107 -5.737 1.00 0.00 H new ATOM 1556 N SER A 103 3.996 -3.908 -4.321 1.00 0.00 N ATOM 1557 CA SER A 103 3.443 -5.029 -3.580 1.00 0.00 C ATOM 1558 C SER A 103 1.956 -4.795 -3.308 1.00 0.00 C ATOM 1559 O SER A 103 1.599 -4.021 -2.421 1.00 0.00 O ATOM 1560 CB SER A 103 4.196 -5.246 -2.266 1.00 0.00 C ATOM 1561 OG SER A 103 5.267 -6.174 -2.411 1.00 0.00 O ATOM 0 H SER A 103 4.208 -3.086 -3.756 1.00 0.00 H new ATOM 0 HA SER A 103 3.557 -5.928 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.588 -4.293 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.503 -5.608 -1.507 1.00 0.00 H new ATOM 0 HG SER A 103 5.724 -6.284 -1.551 1.00 0.00 H new ATOM 1567 N ALA A 104 1.130 -5.478 -4.086 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.310 -5.354 -3.939 1.00 0.00 C ATOM 1569 C ALA A 104 -0.857 -6.601 -3.243 1.00 0.00 C ATOM 1570 O ALA A 104 -0.742 -7.709 -3.766 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.946 -5.127 -5.312 1.00 0.00 C ATOM 0 H ALA A 104 1.430 -6.119 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.559 -4.494 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.026 -5.034 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.546 -4.213 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.719 -5.972 -5.962 1.00 0.00 H new ATOM 1577 N SER A 105 -1.441 -6.380 -2.074 1.00 0.00 N ATOM 1578 CA SER A 105 -2.006 -7.473 -1.301 1.00 0.00 C ATOM 1579 C SER A 105 -3.486 -7.207 -1.023 1.00 0.00 C ATOM 1580 O SER A 105 -3.853 -6.120 -0.579 1.00 0.00 O ATOM 1581 CB SER A 105 -1.246 -7.668 0.013 1.00 0.00 C ATOM 1582 OG SER A 105 -0.620 -8.947 0.083 1.00 0.00 O ATOM 0 H SER A 105 -1.535 -5.460 -1.644 1.00 0.00 H new ATOM 0 HA SER A 105 -1.911 -8.389 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.491 -6.889 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.935 -7.555 0.850 1.00 0.00 H new ATOM 0 HG SER A 105 -0.144 -9.032 0.935 1.00 0.00 H new ATOM 1588 N THR A 106 -4.298 -8.218 -1.297 1.00 0.00 N ATOM 1589 CA THR A 106 -5.731 -8.107 -1.082 1.00 0.00 C ATOM 1590 C THR A 106 -6.059 -8.240 0.406 1.00 0.00 C ATOM 1591 O THR A 106 -5.494 -9.086 1.097 1.00 0.00 O ATOM 1592 CB THR A 106 -6.422 -9.157 -1.953 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.624 -9.211 -3.132 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.793 -8.694 -2.452 1.00 0.00 C ATOM 0 H THR A 106 -3.991 -9.118 -1.666 1.00 0.00 H new ATOM 0 HA THR A 106 -6.100 -7.125 -1.377 1.00 0.00 H new ATOM 0 HB THR A 106 -6.535 -10.081 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.555 -8.314 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.240 -9.476 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.440 -8.487 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.677 -7.788 -3.047 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.971 -7.390 0.857 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.381 -7.403 2.250 1.00 0.00 C ATOM 1604 C ILE A 107 -8.844 -6.967 2.351 1.00 0.00 C ATOM 1605 O ILE A 107 -9.235 -5.955 1.771 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.428 -6.556 3.097 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.986 -6.345 4.505 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.107 -5.231 2.402 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.848 -7.615 5.347 1.00 0.00 C ATOM 0 H ILE A 107 -7.437 -6.688 0.282 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.320 -8.413 2.655 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.489 -7.100 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.458 -5.524 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.036 -6.057 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.428 -4.648 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.636 -5.430 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.028 -4.670 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.253 -7.437 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.398 -8.428 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.795 -7.886 5.426 1.00 0.00 H new ATOM 1621 N SER A 108 -9.613 -7.752 3.091 1.00 0.00 N ATOM 1622 CA SER A 108 -11.024 -7.460 3.275 1.00 0.00 C ATOM 1623 C SER A 108 -11.241 -6.741 4.608 1.00 0.00 C ATOM 1624 O SER A 108 -10.964 -7.297 5.669 1.00 0.00 O ATOM 1625 CB SER A 108 -11.863 -8.738 3.219 1.00 0.00 C ATOM 1626 OG SER A 108 -13.096 -8.599 3.920 1.00 0.00 O ATOM 0 H SER A 108 -9.285 -8.590 3.570 1.00 0.00 H new ATOM 0 HA SER A 108 -11.347 -6.810 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.064 -8.994 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.294 -9.564 3.646 1.00 0.00 H new ATOM 0 HG SER A 108 -13.603 -9.436 3.859 1.00 0.00 H new ATOM 1632 N SER A 109 -11.734 -5.515 4.509 1.00 0.00 N ATOM 1633 CA SER A 109 -11.990 -4.714 5.694 1.00 0.00 C ATOM 1634 C SER A 109 -12.518 -5.603 6.822 1.00 0.00 C ATOM 1635 O SER A 109 -13.126 -6.641 6.566 1.00 0.00 O ATOM 1636 CB SER A 109 -12.984 -3.590 5.394 1.00 0.00 C ATOM 1637 OG SER A 109 -14.174 -4.079 4.781 1.00 0.00 O ATOM 0 H SER A 109 -11.963 -5.057 3.627 1.00 0.00 H new ATOM 0 HA SER A 109 -11.051 -4.258 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.239 -3.075 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.514 -2.856 4.739 1.00 0.00 H new ATOM 0 HG SER A 109 -14.592 -3.362 4.260 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.266 -5.162 8.046 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.709 -5.905 9.214 1.00 0.00 C ATOM 1645 C GLY A 110 -14.236 -5.954 9.286 1.00 0.00 C ATOM 1646 O GLY A 110 -14.863 -6.820 8.677 1.00 0.00 O ATOM 0 H GLY A 110 -11.761 -4.300 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.310 -6.919 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.314 -5.440 10.117 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.792 -5.014 10.037 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.234 -4.940 10.197 1.00 0.00 C ATOM 1652 C VAL A 111 -16.589 -3.696 11.014 1.00 0.00 C ATOM 1653 O VAL A 111 -15.876 -3.340 11.951 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.759 -6.234 10.821 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -16.087 -6.505 12.169 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.282 -6.195 10.966 1.00 0.00 C ATOM 0 H VAL A 111 -14.270 -4.298 10.541 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.721 -4.842 9.227 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.507 -7.055 10.150 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.478 -7.431 12.591 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.010 -6.598 12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.293 -5.680 12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.629 -7.127 11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.565 -5.359 11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.738 -6.071 9.984 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.720 -3.052 10.618 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.177 -1.855 11.303 1.00 0.00 C ATOM 1668 C PRO A 112 -18.806 -2.202 12.654 1.00 0.00 C ATOM 1669 O PRO A 112 -19.711 -3.032 12.726 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.157 -1.202 10.342 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.564 -2.289 9.360 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.589 -3.444 9.513 1.00 0.00 C ATOM 0 HA PRO A 112 -17.362 -1.173 11.546 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.024 -0.811 10.874 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.695 -0.361 9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.583 -2.621 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.546 -1.907 8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.110 -4.376 9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.018 -3.604 8.598 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.289 -1.533 13.718 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.790 -1.763 15.063 1.00 0.00 C ATOM 1682 C PRO A 113 -20.152 -1.095 15.262 1.00 0.00 C ATOM 1683 O PRO A 113 -20.900 -1.460 16.168 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.716 -1.206 15.983 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.875 -0.273 15.127 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.216 -0.543 13.670 1.00 0.00 C ATOM 0 HA PRO A 113 -18.967 -2.818 15.271 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.160 -0.671 16.823 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.107 -2.007 16.402 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.080 0.767 15.381 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.813 -0.442 15.308 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.539 0.367 13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.352 -0.922 13.125 1.00 0.00 H new