USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -8.32! C(o=-12!,f=-6.5!) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= -4.06! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -164:sc= -2.59 USER MOD Single : A 52 ASN : amide:sc= -3.61 K(o=-3.6,f=-9.1!) USER MOD Single : A 53 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.0033) USER MOD Single : A 54 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.0059) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 15:sc= 0.139 USER MOD Single : A 70 HIS : no HD1:sc= -1.16 K(o=-1.2,f=0.13) USER MOD Single : A 72 GLN : amide:sc= -0.807 X(o=-0.81,f=-0.58) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.287) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.64) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.503 K(o=-0.5,f=0) USER MOD Single : A 91 SER OG : rot 31:sc= 0.321 USER MOD Single : A 92 SER OG : rot 15:sc= 0.34 USER MOD Single : A 93 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-0.078) USER MOD Single : A 94 TYR OH : rot 180:sc=-0.00459 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -5.65! C(o=-5.7!,f=-20!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -140:sc= -2.12 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 1.611 -8.545 -5.020 1.00 0.00 N ATOM 287 CA ASP A 23 2.304 -9.464 -4.124 1.00 0.00 C ATOM 288 C ASP A 23 2.716 -8.759 -2.836 1.00 0.00 C ATOM 289 O ASP A 23 3.722 -8.052 -2.799 1.00 0.00 O ATOM 290 CB ASP A 23 3.535 -10.051 -4.815 1.00 0.00 C ATOM 291 CG ASP A 23 3.967 -11.370 -4.205 1.00 0.00 C ATOM 292 OD1 ASP A 23 3.898 -11.501 -2.965 1.00 0.00 O ATOM 293 OD2 ASP A 23 4.376 -12.271 -4.967 1.00 0.00 O ATOM 0 HA ASP A 23 1.619 -10.273 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.319 -10.197 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.357 -9.338 -4.753 1.00 0.00 H new ATOM 298 N GLU A 24 1.931 -8.958 -1.781 1.00 0.00 N ATOM 299 CA GLU A 24 2.214 -8.339 -0.491 1.00 0.00 C ATOM 300 C GLU A 24 2.291 -9.392 0.611 1.00 0.00 C ATOM 301 O GLU A 24 1.953 -9.125 1.765 1.00 0.00 O ATOM 302 CB GLU A 24 1.140 -7.304 -0.150 1.00 0.00 C ATOM 303 CG GLU A 24 1.593 -6.270 0.867 1.00 0.00 C ATOM 304 CD GLU A 24 0.447 -5.430 1.394 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.488 -6.006 1.989 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.484 -4.195 1.212 1.00 0.00 O ATOM 0 H GLU A 24 1.095 -9.542 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 24 3.180 -7.839 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.836 -6.794 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.260 -7.819 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.082 -6.775 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.337 -5.617 0.410 1.00 0.00 H new ATOM 313 N THR A 25 2.736 -10.590 0.248 1.00 0.00 N ATOM 314 CA THR A 25 2.856 -11.684 1.204 1.00 0.00 C ATOM 315 C THR A 25 4.312 -11.924 1.585 1.00 0.00 C ATOM 316 O THR A 25 4.601 -12.594 2.577 1.00 0.00 O ATOM 317 CB THR A 25 2.262 -12.989 0.641 1.00 0.00 C ATOM 318 OG1 THR A 25 2.892 -13.318 -0.602 1.00 0.00 O ATOM 319 CG2 THR A 25 0.761 -12.856 0.435 1.00 0.00 C ATOM 0 H THR A 25 3.020 -10.828 -0.702 1.00 0.00 H new ATOM 0 HA THR A 25 2.295 -11.391 2.092 1.00 0.00 H new ATOM 0 HB THR A 25 2.444 -13.786 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.510 -14.150 -0.952 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.364 -13.790 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.281 -12.635 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.560 -12.048 -0.268 1.00 0.00 H new ATOM 327 N ARG A 26 5.225 -11.373 0.792 1.00 0.00 N ATOM 328 CA ARG A 26 6.652 -11.528 1.047 1.00 0.00 C ATOM 329 C ARG A 26 7.365 -10.181 0.985 1.00 0.00 C ATOM 330 O ARG A 26 6.878 -9.237 0.363 1.00 0.00 O ATOM 331 CB ARG A 26 7.271 -12.492 0.034 1.00 0.00 C ATOM 332 CG ARG A 26 7.219 -11.986 -1.399 1.00 0.00 C ATOM 333 CD ARG A 26 8.465 -11.190 -1.754 1.00 0.00 C ATOM 334 NE ARG A 26 8.796 -11.296 -3.173 1.00 0.00 N ATOM 335 CZ ARG A 26 9.439 -12.331 -3.701 1.00 0.00 C ATOM 336 NH1 ARG A 26 9.819 -13.343 -2.933 1.00 0.00 N ATOM 337 NH2 ARG A 26 9.705 -12.355 -5.001 1.00 0.00 N ATOM 0 H ARG A 26 5.002 -10.815 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 26 6.774 -11.938 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.310 -12.676 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.752 -13.449 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.119 -12.830 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.336 -11.361 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.312 -10.142 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.305 -11.547 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 26 8.518 -10.534 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.618 -13.328 -1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.313 -14.136 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.416 -11.578 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.199 -13.150 -5.406 1.00 0.00 H new ATOM 351 N VAL A 27 8.522 -10.098 1.636 1.00 0.00 N ATOM 352 CA VAL A 27 9.302 -8.867 1.654 1.00 0.00 C ATOM 353 C VAL A 27 9.926 -8.591 0.291 1.00 0.00 C ATOM 354 O VAL A 27 10.264 -9.505 -0.462 1.00 0.00 O ATOM 355 CB VAL A 27 10.418 -8.926 2.714 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.835 -9.216 4.089 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.457 -9.971 2.336 1.00 0.00 C ATOM 0 H VAL A 27 8.939 -10.869 2.158 1.00 0.00 H new ATOM 0 HA VAL A 27 8.614 -8.060 1.905 1.00 0.00 H new ATOM 0 HB VAL A 27 10.910 -7.954 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.639 -9.254 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.132 -8.428 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.316 -10.174 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.238 -9.999 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.981 -10.949 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.897 -9.714 1.373 1.00 0.00 H new ATOM 367 N PRO A 28 10.083 -7.300 -0.038 1.00 0.00 N ATOM 368 CA PRO A 28 10.667 -6.873 -1.312 1.00 0.00 C ATOM 369 C PRO A 28 12.159 -7.177 -1.397 1.00 0.00 C ATOM 370 O PRO A 28 12.983 -6.439 -0.859 1.00 0.00 O ATOM 371 CB PRO A 28 10.429 -5.361 -1.323 1.00 0.00 C ATOM 372 CG PRO A 28 10.331 -4.983 0.115 1.00 0.00 C ATOM 373 CD PRO A 28 9.702 -6.158 0.810 1.00 0.00 C ATOM 0 HA PRO A 28 10.222 -7.395 -2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.247 -4.835 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.516 -5.108 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.315 -4.766 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.726 -4.085 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.076 -6.271 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.619 -6.052 0.879 1.00 0.00 H new ATOM 381 N GLU A 29 12.499 -8.269 -2.075 1.00 0.00 N ATOM 382 CA GLU A 29 13.892 -8.670 -2.229 1.00 0.00 C ATOM 383 C GLU A 29 14.739 -7.509 -2.744 1.00 0.00 C ATOM 384 O GLU A 29 14.214 -6.535 -3.284 1.00 0.00 O ATOM 385 CB GLU A 29 14.001 -9.859 -3.186 1.00 0.00 C ATOM 386 CG GLU A 29 13.485 -9.564 -4.584 1.00 0.00 C ATOM 387 CD GLU A 29 11.975 -9.430 -4.632 1.00 0.00 C ATOM 388 OE1 GLU A 29 11.286 -10.470 -4.565 1.00 0.00 O ATOM 389 OE2 GLU A 29 11.483 -8.288 -4.738 1.00 0.00 O ATOM 0 H GLU A 29 11.829 -8.891 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 29 14.269 -8.965 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.044 -10.168 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.444 -10.700 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.940 -8.643 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.797 -10.362 -5.258 1.00 0.00 H new ATOM 396 N VAL A 30 16.052 -7.620 -2.571 1.00 0.00 N ATOM 397 CA VAL A 30 16.972 -6.581 -3.018 1.00 0.00 C ATOM 398 C VAL A 30 16.471 -5.915 -4.295 1.00 0.00 C ATOM 399 O VAL A 30 15.964 -6.568 -5.207 1.00 0.00 O ATOM 400 CB VAL A 30 18.382 -7.149 -3.268 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.320 -8.329 -4.226 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.305 -6.066 -3.803 1.00 0.00 C ATOM 0 H VAL A 30 16.503 -8.419 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 30 17.023 -5.840 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 30 18.786 -7.503 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.325 -8.717 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.694 -9.112 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.896 -8.004 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.297 -6.485 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.907 -5.680 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.374 -5.255 -3.078 1.00 0.00 H new ATOM 412 N PRO A 31 16.615 -4.583 -4.363 1.00 0.00 N ATOM 413 CA PRO A 31 16.184 -3.799 -5.524 1.00 0.00 C ATOM 414 C PRO A 31 17.053 -4.054 -6.751 1.00 0.00 C ATOM 415 O PRO A 31 18.014 -4.821 -6.694 1.00 0.00 O ATOM 416 CB PRO A 31 16.339 -2.351 -5.051 1.00 0.00 C ATOM 417 CG PRO A 31 17.382 -2.409 -3.989 1.00 0.00 C ATOM 418 CD PRO A 31 17.211 -3.741 -3.312 1.00 0.00 C ATOM 0 HA PRO A 31 15.171 -4.055 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.643 -1.698 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.399 -1.959 -4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.380 -2.314 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.261 -1.592 -3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.164 -4.142 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.562 -3.668 -2.439 1.00 0.00 H new ATOM 426 N SER A 32 16.708 -3.406 -7.859 1.00 0.00 N ATOM 427 CA SER A 32 17.455 -3.566 -9.102 1.00 0.00 C ATOM 428 C SER A 32 18.918 -3.179 -8.909 1.00 0.00 C ATOM 429 O SER A 32 19.822 -3.878 -9.368 1.00 0.00 O ATOM 430 CB SER A 32 16.832 -2.715 -10.209 1.00 0.00 C ATOM 431 OG SER A 32 17.598 -2.786 -11.399 1.00 0.00 O ATOM 0 H SER A 32 15.917 -2.766 -7.922 1.00 0.00 H new ATOM 0 HA SER A 32 17.410 -4.616 -9.392 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.816 -3.056 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.762 -1.678 -9.879 1.00 0.00 H new ATOM 0 HG SER A 32 17.178 -2.235 -12.092 1.00 0.00 H new ATOM 437 N SER A 33 19.143 -2.061 -8.228 1.00 0.00 N ATOM 438 CA SER A 33 20.496 -1.577 -7.978 1.00 0.00 C ATOM 439 C SER A 33 20.475 -0.344 -7.080 1.00 0.00 C ATOM 440 O SER A 33 19.409 0.147 -6.704 1.00 0.00 O ATOM 441 CB SER A 33 21.196 -1.249 -9.298 1.00 0.00 C ATOM 442 OG SER A 33 20.674 -0.063 -9.871 1.00 0.00 O ATOM 0 H SER A 33 18.406 -1.473 -7.839 1.00 0.00 H new ATOM 0 HA SER A 33 21.049 -2.366 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.266 -1.133 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.072 -2.078 -9.995 1.00 0.00 H new ATOM 0 HG SER A 33 21.139 0.126 -10.713 1.00 0.00 H new ATOM 448 N LEU A 34 21.659 0.153 -6.740 1.00 0.00 N ATOM 449 CA LEU A 34 21.778 1.330 -5.886 1.00 0.00 C ATOM 450 C LEU A 34 22.929 2.221 -6.345 1.00 0.00 C ATOM 451 O LEU A 34 24.053 1.754 -6.532 1.00 0.00 O ATOM 452 CB LEU A 34 21.992 0.910 -4.431 1.00 0.00 C ATOM 453 CG LEU A 34 22.856 1.844 -3.583 1.00 0.00 C ATOM 454 CD1 LEU A 34 22.121 3.146 -3.307 1.00 0.00 C ATOM 455 CD2 LEU A 34 23.252 1.166 -2.279 1.00 0.00 C ATOM 0 H LEU A 34 22.550 -0.240 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 34 20.851 1.898 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 21.017 0.817 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.447 -0.080 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 34 23.764 2.074 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.751 3.798 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.888 3.639 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.196 2.935 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.867 1.845 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.355 0.906 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.818 0.261 -2.497 1.00 0.00 H new ATOM 467 N HIS A 35 22.641 3.506 -6.522 1.00 0.00 N ATOM 468 CA HIS A 35 23.652 4.464 -6.956 1.00 0.00 C ATOM 469 C HIS A 35 23.871 5.540 -5.897 1.00 0.00 C ATOM 470 O HIS A 35 22.935 5.950 -5.211 1.00 0.00 O ATOM 471 CB HIS A 35 23.239 5.110 -8.278 1.00 0.00 C ATOM 472 CG HIS A 35 23.742 6.511 -8.443 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.449 6.931 -9.550 1.00 0.00 N ATOM 474 CD2 HIS A 35 23.636 7.591 -7.634 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.758 8.209 -9.414 1.00 0.00 C ATOM 476 NE2 HIS A 35 24.275 8.633 -8.260 1.00 0.00 N ATOM 0 H HIS A 35 21.716 3.908 -6.372 1.00 0.00 H new ATOM 0 HA HIS A 35 24.589 3.925 -7.101 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.609 4.500 -9.102 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.151 5.113 -8.347 1.00 0.00 H new ATOM 0 HD1 HIS A 35 24.695 6.347 -10.349 1.00 0.00 H new ATOM 0 HD2 HIS A 35 23.141 7.627 -6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.311 8.805 -10.125 1.00 0.00 H new ATOM 485 N VAL A 36 25.115 5.992 -5.768 1.00 0.00 N ATOM 486 CA VAL A 36 25.457 7.020 -4.792 1.00 0.00 C ATOM 487 C VAL A 36 26.525 7.961 -5.338 1.00 0.00 C ATOM 488 O VAL A 36 27.508 7.522 -5.934 1.00 0.00 O ATOM 489 CB VAL A 36 25.960 6.399 -3.476 1.00 0.00 C ATOM 490 CG1 VAL A 36 24.823 5.702 -2.745 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.103 5.433 -3.745 1.00 0.00 C ATOM 0 H VAL A 36 25.902 5.662 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 36 24.546 7.584 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 36 26.334 7.199 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.198 5.269 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.039 6.425 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.416 4.912 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.446 5.004 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 36 26.758 4.636 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.926 5.966 -4.221 1.00 0.00 H new ATOM 501 N ARG A 37 26.325 9.259 -5.130 1.00 0.00 N ATOM 502 CA ARG A 37 27.270 10.263 -5.602 1.00 0.00 C ATOM 503 C ARG A 37 27.871 11.036 -4.432 1.00 0.00 C ATOM 504 O ARG A 37 27.200 11.828 -3.769 1.00 0.00 O ATOM 505 CB ARG A 37 26.580 11.230 -6.566 1.00 0.00 C ATOM 506 CG ARG A 37 27.545 11.977 -7.473 1.00 0.00 C ATOM 507 CD ARG A 37 26.932 13.266 -7.997 1.00 0.00 C ATOM 508 NE ARG A 37 25.734 13.018 -8.794 1.00 0.00 N ATOM 509 CZ ARG A 37 25.269 13.865 -9.706 1.00 0.00 C ATOM 510 NH1 ARG A 37 25.900 15.009 -9.935 1.00 0.00 N ATOM 511 NH2 ARG A 37 24.172 13.569 -10.391 1.00 0.00 N ATOM 0 H ARG A 37 25.517 9.639 -4.638 1.00 0.00 H new ATOM 0 HA ARG A 37 28.075 9.750 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.873 10.674 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.002 11.953 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.459 12.204 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.826 11.339 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.681 13.915 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.667 13.797 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 37 25.226 12.147 -8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 37 26.744 15.240 -9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.541 15.658 -10.636 1.00 0.00 H new ATOM 0 HH21 ARG A 37 23.684 12.690 -10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.816 14.220 -11.091 1.00 0.00 H new ATOM 525 N PRO A 38 29.165 10.802 -4.169 1.00 0.00 N ATOM 526 CA PRO A 38 29.885 11.467 -3.079 1.00 0.00 C ATOM 527 C PRO A 38 30.107 12.951 -3.351 1.00 0.00 C ATOM 528 O PRO A 38 30.671 13.327 -4.379 1.00 0.00 O ATOM 529 CB PRO A 38 31.223 10.726 -3.033 1.00 0.00 C ATOM 530 CG PRO A 38 31.406 10.188 -4.411 1.00 0.00 C ATOM 531 CD PRO A 38 30.026 9.871 -4.918 1.00 0.00 C ATOM 0 HA PRO A 38 29.329 11.430 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.037 11.396 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.207 9.925 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.899 10.918 -5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.033 9.296 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.947 10.028 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.756 8.832 -4.727 1.00 0.00 H new ATOM 539 N LEU A 39 29.661 13.791 -2.423 1.00 0.00 N ATOM 540 CA LEU A 39 29.812 15.235 -2.562 1.00 0.00 C ATOM 541 C LEU A 39 30.657 15.806 -1.428 1.00 0.00 C ATOM 542 O LEU A 39 30.723 15.233 -0.340 1.00 0.00 O ATOM 543 CB LEU A 39 28.440 15.911 -2.582 1.00 0.00 C ATOM 544 CG LEU A 39 27.790 16.069 -3.957 1.00 0.00 C ATOM 545 CD1 LEU A 39 27.059 14.795 -4.351 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.838 17.257 -3.963 1.00 0.00 C ATOM 0 H LEU A 39 29.192 13.497 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 39 30.322 15.433 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.765 15.337 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.537 16.899 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 39 28.575 16.254 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.603 14.926 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.766 13.966 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.284 14.578 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.384 17.355 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.057 17.102 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.390 18.167 -3.726 1.00 0.00 H new ATOM 558 N VAL A 40 31.299 16.940 -1.688 1.00 0.00 N ATOM 559 CA VAL A 40 32.137 17.591 -0.688 1.00 0.00 C ATOM 560 C VAL A 40 31.608 17.341 0.719 1.00 0.00 C ATOM 561 O VAL A 40 32.201 16.588 1.493 1.00 0.00 O ATOM 562 CB VAL A 40 32.222 19.110 -0.930 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.270 19.737 -0.024 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.528 19.400 -2.392 1.00 0.00 C ATOM 0 H VAL A 40 31.255 17.427 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 40 33.134 17.159 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 40 31.256 19.553 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.316 20.810 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.003 19.560 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.243 19.291 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.584 20.478 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.481 18.945 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.738 18.986 -3.018 1.00 0.00 H new ATOM 574 N THR A 41 30.487 17.977 1.046 1.00 0.00 N ATOM 575 CA THR A 41 29.877 17.824 2.361 1.00 0.00 C ATOM 576 C THR A 41 28.487 17.209 2.254 1.00 0.00 C ATOM 577 O THR A 41 27.646 17.395 3.134 1.00 0.00 O ATOM 578 CB THR A 41 29.773 19.176 3.092 1.00 0.00 C ATOM 579 OG1 THR A 41 29.303 20.185 2.191 1.00 0.00 O ATOM 580 CG2 THR A 41 31.121 19.588 3.664 1.00 0.00 C ATOM 0 H THR A 41 29.983 18.603 0.418 1.00 0.00 H new ATOM 0 HA THR A 41 30.523 17.158 2.934 1.00 0.00 H new ATOM 0 HB THR A 41 29.066 19.066 3.914 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.238 21.041 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.022 20.546 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.462 18.832 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.846 19.682 2.856 1.00 0.00 H new ATOM 588 N SER A 42 28.252 16.474 1.172 1.00 0.00 N ATOM 589 CA SER A 42 26.961 15.833 0.949 1.00 0.00 C ATOM 590 C SER A 42 27.130 14.523 0.185 1.00 0.00 C ATOM 591 O SER A 42 28.243 14.144 -0.180 1.00 0.00 O ATOM 592 CB SER A 42 26.029 16.769 0.177 1.00 0.00 C ATOM 593 OG SER A 42 26.663 17.276 -0.985 1.00 0.00 O ATOM 0 H SER A 42 28.938 16.307 0.436 1.00 0.00 H new ATOM 0 HA SER A 42 26.520 15.613 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.122 16.234 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.725 17.596 0.819 1.00 0.00 H new ATOM 0 HG SER A 42 26.163 18.050 -1.319 1.00 0.00 H new ATOM 599 N ILE A 43 26.018 13.836 -0.052 1.00 0.00 N ATOM 600 CA ILE A 43 26.042 12.569 -0.773 1.00 0.00 C ATOM 601 C ILE A 43 24.685 12.269 -1.402 1.00 0.00 C ATOM 602 O ILE A 43 23.739 11.889 -0.713 1.00 0.00 O ATOM 603 CB ILE A 43 26.435 11.403 0.153 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.831 11.633 0.735 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.382 10.084 -0.605 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.286 10.533 1.668 1.00 0.00 C ATOM 0 H ILE A 43 25.089 14.135 0.245 1.00 0.00 H new ATOM 0 HA ILE A 43 26.791 12.667 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 43 25.722 11.356 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.546 11.724 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.840 12.581 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.662 9.269 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.371 9.918 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.075 10.119 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.284 10.763 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.593 10.456 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.310 9.586 1.129 1.00 0.00 H new ATOM 618 N VAL A 44 24.599 12.441 -2.717 1.00 0.00 N ATOM 619 CA VAL A 44 23.359 12.186 -3.442 1.00 0.00 C ATOM 620 C VAL A 44 23.134 10.690 -3.636 1.00 0.00 C ATOM 621 O VAL A 44 23.717 10.075 -4.529 1.00 0.00 O ATOM 622 CB VAL A 44 23.361 12.877 -4.818 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.096 12.534 -5.589 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.505 14.383 -4.657 1.00 0.00 C ATOM 0 H VAL A 44 25.373 12.756 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 44 22.549 12.597 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 44 24.216 12.512 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.115 13.031 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.040 11.455 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.225 12.869 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.505 14.856 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.672 14.767 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.442 14.606 -4.147 1.00 0.00 H new ATOM 634 N VAL A 45 22.285 10.111 -2.794 1.00 0.00 N ATOM 635 CA VAL A 45 21.981 8.687 -2.874 1.00 0.00 C ATOM 636 C VAL A 45 20.795 8.429 -3.798 1.00 0.00 C ATOM 637 O VAL A 45 19.656 8.760 -3.469 1.00 0.00 O ATOM 638 CB VAL A 45 21.672 8.100 -1.484 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.300 6.629 -1.596 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.858 8.289 -0.551 1.00 0.00 C ATOM 0 H VAL A 45 21.795 10.606 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 45 22.866 8.197 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 45 20.820 8.634 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.085 6.231 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.418 6.524 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.130 6.076 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.622 7.869 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.730 7.782 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.073 9.352 -0.446 1.00 0.00 H new ATOM 650 N SER A 46 21.072 7.836 -4.955 1.00 0.00 N ATOM 651 CA SER A 46 20.028 7.536 -5.929 1.00 0.00 C ATOM 652 C SER A 46 19.840 6.030 -6.077 1.00 0.00 C ATOM 653 O SER A 46 20.753 5.317 -6.494 1.00 0.00 O ATOM 654 CB SER A 46 20.374 8.154 -7.285 1.00 0.00 C ATOM 655 OG SER A 46 21.106 7.245 -8.088 1.00 0.00 O ATOM 0 H SER A 46 22.010 7.554 -5.241 1.00 0.00 H new ATOM 0 HA SER A 46 19.094 7.967 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.458 8.443 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.957 9.063 -7.136 1.00 0.00 H new ATOM 0 HG SER A 46 21.314 7.664 -8.949 1.00 0.00 H new ATOM 661 N TRP A 47 18.650 5.552 -5.732 1.00 0.00 N ATOM 662 CA TRP A 47 18.341 4.130 -5.826 1.00 0.00 C ATOM 663 C TRP A 47 17.204 3.884 -6.812 1.00 0.00 C ATOM 664 O TRP A 47 16.586 4.825 -7.310 1.00 0.00 O ATOM 665 CB TRP A 47 17.967 3.576 -4.450 1.00 0.00 C ATOM 666 CG TRP A 47 16.739 4.208 -3.869 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.455 3.754 -3.974 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.679 5.410 -3.094 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.601 4.601 -3.311 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.326 5.625 -2.762 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.635 6.325 -2.646 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.910 6.717 -2.005 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.220 7.409 -1.895 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.868 7.597 -1.580 1.00 0.00 C ATOM 0 H TRP A 47 17.883 6.128 -5.385 1.00 0.00 H new ATOM 0 HA TRP A 47 19.230 3.614 -6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.810 2.500 -4.530 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.802 3.727 -3.766 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.155 2.860 -4.501 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.590 4.486 -3.239 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.680 6.188 -2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.868 6.864 -1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.951 8.123 -1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.576 8.453 -0.990 1.00 0.00 H new ATOM 685 N THR A 48 16.933 2.612 -7.091 1.00 0.00 N ATOM 686 CA THR A 48 15.872 2.243 -8.019 1.00 0.00 C ATOM 687 C THR A 48 15.000 1.133 -7.443 1.00 0.00 C ATOM 688 O THR A 48 15.438 0.332 -6.617 1.00 0.00 O ATOM 689 CB THR A 48 16.444 1.782 -9.373 1.00 0.00 C ATOM 690 OG1 THR A 48 17.402 0.737 -9.169 1.00 0.00 O ATOM 691 CG2 THR A 48 17.099 2.942 -10.107 1.00 0.00 C ATOM 0 H THR A 48 17.434 1.821 -6.687 1.00 0.00 H new ATOM 0 HA THR A 48 15.265 3.134 -8.175 1.00 0.00 H new ATOM 0 HB THR A 48 15.621 1.407 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.760 0.448 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.495 2.592 -11.060 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.360 3.723 -10.286 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.912 3.343 -9.501 1.00 0.00 H new ATOM 699 N PRO A 49 13.736 1.080 -7.889 1.00 0.00 N ATOM 700 CA PRO A 49 12.777 0.071 -7.432 1.00 0.00 C ATOM 701 C PRO A 49 13.118 -1.325 -7.941 1.00 0.00 C ATOM 702 O PRO A 49 13.895 -1.497 -8.881 1.00 0.00 O ATOM 703 CB PRO A 49 11.449 0.548 -8.027 1.00 0.00 C ATOM 704 CG PRO A 49 11.836 1.351 -9.220 1.00 0.00 C ATOM 705 CD PRO A 49 13.146 2.003 -8.874 1.00 0.00 C ATOM 0 HA PRO A 49 12.765 -0.018 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.815 -0.294 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.887 1.148 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.936 0.717 -10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.077 2.099 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.783 2.116 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.001 2.999 -8.455 1.00 0.00 H new ATOM 713 N PRO A 50 12.523 -2.348 -7.309 1.00 0.00 N ATOM 714 CA PRO A 50 12.748 -3.748 -7.683 1.00 0.00 C ATOM 715 C PRO A 50 12.130 -4.094 -9.032 1.00 0.00 C ATOM 716 O PRO A 50 10.930 -3.915 -9.239 1.00 0.00 O ATOM 717 CB PRO A 50 12.059 -4.529 -6.562 1.00 0.00 C ATOM 718 CG PRO A 50 11.017 -3.602 -6.039 1.00 0.00 C ATOM 719 CD PRO A 50 11.585 -2.217 -6.182 1.00 0.00 C ATOM 0 HA PRO A 50 13.808 -3.976 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.616 -5.452 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.767 -4.809 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.088 -3.703 -6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.785 -3.823 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.807 -1.483 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.092 -1.895 -5.273 1.00 0.00 H new ATOM 727 N GLU A 51 12.956 -4.592 -9.947 1.00 0.00 N ATOM 728 CA GLU A 51 12.488 -4.963 -11.278 1.00 0.00 C ATOM 729 C GLU A 51 11.067 -5.516 -11.220 1.00 0.00 C ATOM 730 O GLU A 51 10.264 -5.288 -12.123 1.00 0.00 O ATOM 731 CB GLU A 51 13.425 -5.999 -11.902 1.00 0.00 C ATOM 732 CG GLU A 51 13.559 -5.868 -13.410 1.00 0.00 C ATOM 733 CD GLU A 51 13.785 -7.203 -14.093 1.00 0.00 C ATOM 734 OE1 GLU A 51 14.913 -7.731 -14.007 1.00 0.00 O ATOM 735 OE2 GLU A 51 12.832 -7.720 -14.714 1.00 0.00 O ATOM 0 H GLU A 51 13.952 -4.748 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 51 12.486 -4.066 -11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.412 -5.904 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.059 -6.998 -11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.657 -5.406 -13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.389 -5.201 -13.641 1.00 0.00 H new ATOM 742 N ASN A 52 10.766 -6.246 -10.150 1.00 0.00 N ATOM 743 CA ASN A 52 9.443 -6.833 -9.974 1.00 0.00 C ATOM 744 C ASN A 52 8.525 -5.887 -9.206 1.00 0.00 C ATOM 745 O ASN A 52 8.382 -5.998 -7.989 1.00 0.00 O ATOM 746 CB ASN A 52 9.549 -8.169 -9.236 1.00 0.00 C ATOM 747 CG ASN A 52 8.202 -8.846 -9.069 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.270 -8.269 -8.511 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.096 -10.078 -9.553 1.00 0.00 N ATOM 0 H ASN A 52 11.420 -6.445 -9.393 1.00 0.00 H new ATOM 0 HA ASN A 52 9.015 -7.004 -10.962 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.220 -8.831 -9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.994 -8.005 -8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.215 -10.585 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.896 -10.518 -10.008 1.00 0.00 H new ATOM 756 N GLN A 53 7.906 -4.958 -9.927 1.00 0.00 N ATOM 757 CA GLN A 53 7.002 -3.992 -9.313 1.00 0.00 C ATOM 758 C GLN A 53 5.828 -4.696 -8.640 1.00 0.00 C ATOM 759 O GLN A 53 5.353 -4.266 -7.590 1.00 0.00 O ATOM 760 CB GLN A 53 6.487 -3.005 -10.362 1.00 0.00 C ATOM 761 CG GLN A 53 7.532 -2.000 -10.817 1.00 0.00 C ATOM 762 CD GLN A 53 7.571 -0.762 -9.942 1.00 0.00 C ATOM 763 OE1 GLN A 53 6.881 0.222 -10.208 1.00 0.00 O ATOM 764 NE2 GLN A 53 8.382 -0.805 -8.891 1.00 0.00 N ATOM 0 H GLN A 53 8.014 -4.854 -10.936 1.00 0.00 H new ATOM 0 HA GLN A 53 7.558 -3.445 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.129 -3.562 -11.228 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.631 -2.467 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.513 -2.475 -10.812 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.325 -1.707 -11.846 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.936 -1.642 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.451 -0.001 -8.267 1.00 0.00 H new ATOM 773 N ASN A 54 5.365 -5.781 -9.253 1.00 0.00 N ATOM 774 CA ASN A 54 4.246 -6.544 -8.714 1.00 0.00 C ATOM 775 C ASN A 54 4.325 -6.625 -7.192 1.00 0.00 C ATOM 776 O ASN A 54 3.301 -6.658 -6.508 1.00 0.00 O ATOM 777 CB ASN A 54 4.229 -7.954 -9.310 1.00 0.00 C ATOM 778 CG ASN A 54 3.686 -7.976 -10.725 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.355 -8.434 -11.651 1.00 0.00 O ATOM 780 ND2 ASN A 54 2.467 -7.479 -10.900 1.00 0.00 N ATOM 0 H ASN A 54 5.748 -6.151 -10.123 1.00 0.00 H new ATOM 0 HA ASN A 54 3.324 -6.030 -8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.241 -8.360 -9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.622 -8.604 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.050 -7.467 -11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.948 -7.109 -10.104 1.00 0.00 H new ATOM 787 N ILE A 55 5.546 -6.654 -6.669 1.00 0.00 N ATOM 788 CA ILE A 55 5.758 -6.729 -5.229 1.00 0.00 C ATOM 789 C ILE A 55 5.498 -5.381 -4.565 1.00 0.00 C ATOM 790 O ILE A 55 5.999 -4.349 -5.012 1.00 0.00 O ATOM 791 CB ILE A 55 7.191 -7.185 -4.894 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.459 -8.570 -5.487 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.404 -7.198 -3.388 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.914 -8.810 -5.826 1.00 0.00 C ATOM 0 H ILE A 55 6.403 -6.627 -7.221 1.00 0.00 H new ATOM 0 HA ILE A 55 5.052 -7.464 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 55 7.894 -6.478 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.129 -9.330 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.859 -8.693 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.421 -7.522 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.248 -6.195 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.696 -7.886 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.030 -9.811 -6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.243 -8.073 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.518 -8.720 -4.923 1.00 0.00 H new ATOM 806 N VAL A 56 4.712 -5.398 -3.493 1.00 0.00 N ATOM 807 CA VAL A 56 4.388 -4.178 -2.764 1.00 0.00 C ATOM 808 C VAL A 56 5.621 -3.604 -2.075 1.00 0.00 C ATOM 809 O VAL A 56 6.401 -4.336 -1.464 1.00 0.00 O ATOM 810 CB VAL A 56 3.294 -4.428 -1.709 1.00 0.00 C ATOM 811 CG1 VAL A 56 3.003 -3.156 -0.928 1.00 0.00 C ATOM 812 CG2 VAL A 56 2.030 -4.959 -2.369 1.00 0.00 C ATOM 0 H VAL A 56 4.288 -6.243 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 56 4.019 -3.461 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 56 3.655 -5.181 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.228 -3.353 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.910 -2.823 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.662 -2.379 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.267 -5.130 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.664 -4.231 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.252 -5.897 -2.878 1.00 0.00 H new ATOM 822 N VAL A 57 5.791 -2.290 -2.176 1.00 0.00 N ATOM 823 CA VAL A 57 6.929 -1.617 -1.561 1.00 0.00 C ATOM 824 C VAL A 57 6.489 -0.359 -0.821 1.00 0.00 C ATOM 825 O VAL A 57 6.225 0.675 -1.436 1.00 0.00 O ATOM 826 CB VAL A 57 7.991 -1.237 -2.610 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.172 -0.545 -1.948 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.445 -2.469 -3.378 1.00 0.00 C ATOM 0 H VAL A 57 5.155 -1.670 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 57 7.366 -2.319 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 57 7.544 -0.540 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.912 -0.284 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.829 0.361 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.623 -1.215 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.195 -2.182 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.875 -3.192 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.591 -2.917 -3.885 1.00 0.00 H new ATOM 838 N ARG A 58 6.413 -0.454 0.502 1.00 0.00 N ATOM 839 CA ARG A 58 6.004 0.677 1.327 1.00 0.00 C ATOM 840 C ARG A 58 7.073 1.766 1.325 1.00 0.00 C ATOM 841 O ARG A 58 6.762 2.956 1.358 1.00 0.00 O ATOM 842 CB ARG A 58 5.731 0.218 2.761 1.00 0.00 C ATOM 843 CG ARG A 58 4.760 -0.948 2.852 1.00 0.00 C ATOM 844 CD ARG A 58 3.366 -0.550 2.391 1.00 0.00 C ATOM 845 NE ARG A 58 2.572 0.019 3.477 1.00 0.00 N ATOM 846 CZ ARG A 58 2.575 1.309 3.792 1.00 0.00 C ATOM 847 NH1 ARG A 58 3.327 2.160 3.107 1.00 0.00 N ATOM 848 NH2 ARG A 58 1.825 1.751 4.793 1.00 0.00 N ATOM 0 H ARG A 58 6.629 -1.302 1.026 1.00 0.00 H new ATOM 0 HA ARG A 58 5.088 1.090 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.674 -0.068 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.333 1.057 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.124 -1.774 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.716 -1.307 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.445 0.175 1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.854 -1.424 1.987 1.00 0.00 H new ATOM 0 HE ARG A 58 1.983 -0.609 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.905 1.824 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.328 3.150 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.245 1.100 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.828 2.742 5.034 1.00 0.00 H new ATOM 862 N GLY A 59 8.335 1.349 1.288 1.00 0.00 N ATOM 863 CA GLY A 59 9.431 2.301 1.284 1.00 0.00 C ATOM 864 C GLY A 59 10.786 1.624 1.323 1.00 0.00 C ATOM 865 O GLY A 59 10.882 0.403 1.200 1.00 0.00 O ATOM 0 H GLY A 59 8.618 0.369 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.365 2.923 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.335 2.965 2.143 1.00 0.00 H new ATOM 869 N TYR A 60 11.837 2.418 1.492 1.00 0.00 N ATOM 870 CA TYR A 60 13.195 1.889 1.543 1.00 0.00 C ATOM 871 C TYR A 60 13.953 2.447 2.744 1.00 0.00 C ATOM 872 O TYR A 60 13.618 3.511 3.264 1.00 0.00 O ATOM 873 CB TYR A 60 13.944 2.226 0.252 1.00 0.00 C ATOM 874 CG TYR A 60 13.134 1.976 -1.000 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.271 2.945 -1.498 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.234 0.772 -1.687 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.529 2.721 -2.641 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.497 0.540 -2.832 1.00 0.00 C ATOM 879 CZ TYR A 60 11.646 1.517 -3.305 1.00 0.00 C ATOM 880 OH TYR A 60 10.909 1.291 -4.445 1.00 0.00 O ATOM 0 H TYR A 60 11.775 3.431 1.596 1.00 0.00 H new ATOM 0 HA TYR A 60 13.132 0.806 1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.243 3.274 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.859 1.635 0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.179 3.889 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.899 0.005 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.861 3.484 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.587 -0.401 -3.354 1.00 0.00 H new ATOM 0 HH TYR A 60 11.108 0.396 -4.791 1.00 0.00 H new ATOM 890 N ALA A 61 14.977 1.720 3.178 1.00 0.00 N ATOM 891 CA ALA A 61 15.785 2.141 4.316 1.00 0.00 C ATOM 892 C ALA A 61 17.240 2.346 3.909 1.00 0.00 C ATOM 893 O ALA A 61 17.908 1.411 3.466 1.00 0.00 O ATOM 894 CB ALA A 61 15.688 1.120 5.440 1.00 0.00 C ATOM 0 H ALA A 61 15.267 0.836 2.759 1.00 0.00 H new ATOM 0 HA ALA A 61 15.396 3.095 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.296 1.448 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.649 1.026 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.049 0.154 5.086 1.00 0.00 H new ATOM 900 N ILE A 62 17.725 3.574 4.063 1.00 0.00 N ATOM 901 CA ILE A 62 19.102 3.900 3.712 1.00 0.00 C ATOM 902 C ILE A 62 19.997 3.906 4.946 1.00 0.00 C ATOM 903 O ILE A 62 19.561 4.259 6.041 1.00 0.00 O ATOM 904 CB ILE A 62 19.196 5.271 3.016 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.335 5.286 1.751 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.644 5.597 2.682 1.00 0.00 C ATOM 907 CD1 ILE A 62 18.094 6.674 1.200 1.00 0.00 C ATOM 0 H ILE A 62 17.185 4.359 4.428 1.00 0.00 H new ATOM 0 HA ILE A 62 19.443 3.128 3.023 1.00 0.00 H new ATOM 0 HB ILE A 62 18.820 6.034 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.818 4.679 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.375 4.819 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.694 6.569 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.232 5.624 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.045 4.833 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.477 6.608 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.583 7.279 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.049 7.137 0.950 1.00 0.00 H new ATOM 919 N GLY A 63 21.254 3.515 4.761 1.00 0.00 N ATOM 920 CA GLY A 63 22.193 3.484 5.868 1.00 0.00 C ATOM 921 C GLY A 63 23.548 4.050 5.494 1.00 0.00 C ATOM 922 O GLY A 63 24.061 3.786 4.406 1.00 0.00 O ATOM 0 H GLY A 63 21.639 3.219 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.784 4.052 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.314 2.456 6.209 1.00 0.00 H new ATOM 926 N TYR A 64 24.131 4.831 6.397 1.00 0.00 N ATOM 927 CA TYR A 64 25.434 5.439 6.155 1.00 0.00 C ATOM 928 C TYR A 64 26.246 5.518 7.444 1.00 0.00 C ATOM 929 O TYR A 64 25.717 5.321 8.537 1.00 0.00 O ATOM 930 CB TYR A 64 25.264 6.837 5.559 1.00 0.00 C ATOM 931 CG TYR A 64 24.718 7.851 6.539 1.00 0.00 C ATOM 932 CD1 TYR A 64 25.562 8.532 7.408 1.00 0.00 C ATOM 933 CD2 TYR A 64 23.358 8.129 6.595 1.00 0.00 C ATOM 934 CE1 TYR A 64 25.067 9.458 8.305 1.00 0.00 C ATOM 935 CE2 TYR A 64 22.854 9.055 7.488 1.00 0.00 C ATOM 936 CZ TYR A 64 23.712 9.716 8.341 1.00 0.00 C ATOM 937 OH TYR A 64 23.215 10.639 9.232 1.00 0.00 O ATOM 0 H TYR A 64 23.722 5.058 7.303 1.00 0.00 H new ATOM 0 HA TYR A 64 25.974 4.812 5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.228 7.185 5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.596 6.778 4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 64 26.623 8.334 7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 64 22.683 7.612 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 64 25.737 9.977 8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 64 21.794 9.260 7.518 1.00 0.00 H new ATOM 0 HH TYR A 64 22.243 10.703 9.128 1.00 0.00 H new ATOM 947 N GLY A 65 27.536 5.809 7.306 1.00 0.00 N ATOM 948 CA GLY A 65 28.402 5.910 8.466 1.00 0.00 C ATOM 949 C GLY A 65 29.858 5.663 8.126 1.00 0.00 C ATOM 950 O GLY A 65 30.170 5.103 7.075 1.00 0.00 O ATOM 0 H GLY A 65 27.997 5.977 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.298 6.901 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.081 5.190 9.219 1.00 0.00 H new ATOM 954 N ILE A 66 30.751 6.083 9.016 1.00 0.00 N ATOM 955 CA ILE A 66 32.182 5.905 8.804 1.00 0.00 C ATOM 956 C ILE A 66 32.616 4.484 9.147 1.00 0.00 C ATOM 957 O ILE A 66 32.827 4.152 10.312 1.00 0.00 O ATOM 958 CB ILE A 66 33.004 6.897 9.647 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.648 8.337 9.270 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.493 6.647 9.457 1.00 0.00 C ATOM 961 CD1 ILE A 66 32.741 8.614 7.786 1.00 0.00 C ATOM 0 H ILE A 66 30.509 6.549 9.890 1.00 0.00 H new ATOM 0 HA ILE A 66 32.370 6.095 7.747 1.00 0.00 H new ATOM 0 HB ILE A 66 32.761 6.746 10.699 1.00 0.00 H new ATOM 0 HG12 ILE A 66 31.635 8.553 9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.313 9.018 9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.061 7.356 10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.734 5.631 9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.752 6.775 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.475 9.653 7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 66 33.760 8.431 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.055 7.958 7.250 1.00 0.00 H new ATOM 973 N GLY A 67 32.748 3.647 8.121 1.00 0.00 N ATOM 974 CA GLY A 67 33.158 2.271 8.334 1.00 0.00 C ATOM 975 C GLY A 67 31.995 1.302 8.256 1.00 0.00 C ATOM 976 O GLY A 67 32.122 0.214 7.693 1.00 0.00 O ATOM 0 H GLY A 67 32.578 3.898 7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.905 1.998 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.635 2.184 9.310 1.00 0.00 H new ATOM 980 N SER A 68 30.859 1.695 8.822 1.00 0.00 N ATOM 981 CA SER A 68 29.671 0.850 8.819 1.00 0.00 C ATOM 982 C SER A 68 28.403 1.696 8.749 1.00 0.00 C ATOM 983 O SER A 68 28.301 2.760 9.360 1.00 0.00 O ATOM 984 CB SER A 68 29.641 -0.030 10.070 1.00 0.00 C ATOM 985 OG SER A 68 30.462 -1.174 9.908 1.00 0.00 O ATOM 0 H SER A 68 30.736 2.594 9.289 1.00 0.00 H new ATOM 0 HA SER A 68 29.712 0.212 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.979 0.545 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.617 -0.340 10.276 1.00 0.00 H new ATOM 0 HG SER A 68 31.055 -1.045 9.139 1.00 0.00 H new ATOM 991 N PRO A 69 27.412 1.213 7.985 1.00 0.00 N ATOM 992 CA PRO A 69 26.132 1.908 7.816 1.00 0.00 C ATOM 993 C PRO A 69 25.291 1.892 9.088 1.00 0.00 C ATOM 994 O PRO A 69 24.654 2.886 9.436 1.00 0.00 O ATOM 995 CB PRO A 69 25.439 1.111 6.708 1.00 0.00 C ATOM 996 CG PRO A 69 26.040 -0.250 6.787 1.00 0.00 C ATOM 997 CD PRO A 69 27.464 -0.049 7.228 1.00 0.00 C ATOM 0 HA PRO A 69 26.270 2.963 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.360 1.077 6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.609 1.562 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.497 -0.876 7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.998 -0.752 5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.813 -0.875 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.142 0.020 6.377 1.00 0.00 H new ATOM 1005 N HIS A 70 25.295 0.757 9.780 1.00 0.00 N ATOM 1006 CA HIS A 70 24.533 0.613 11.016 1.00 0.00 C ATOM 1007 C HIS A 70 24.553 1.908 11.821 1.00 0.00 C ATOM 1008 O HIS A 70 23.610 2.211 12.552 1.00 0.00 O ATOM 1009 CB HIS A 70 25.097 -0.533 11.857 1.00 0.00 C ATOM 1010 CG HIS A 70 25.087 -1.855 11.152 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.234 -2.883 11.493 1.00 0.00 N ATOM 1012 CD2 HIS A 70 25.831 -2.313 10.118 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.455 -3.917 10.701 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.419 -3.596 9.857 1.00 0.00 N ATOM 0 H HIS A 70 25.817 -0.076 9.506 1.00 0.00 H new ATOM 0 HA HIS A 70 23.500 0.386 10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.120 -0.292 12.145 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.518 -0.617 12.777 1.00 0.00 H new ATOM 0 HD2 HIS A 70 26.605 -1.770 9.596 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.936 -4.863 10.737 1.00 0.00 H new ATOM 0 HE2 HIS A 70 25.796 -4.203 9.129 1.00 0.00 H new ATOM 1023 N ALA A 71 25.634 2.669 11.682 1.00 0.00 N ATOM 1024 CA ALA A 71 25.776 3.932 12.396 1.00 0.00 C ATOM 1025 C ALA A 71 24.473 4.725 12.372 1.00 0.00 C ATOM 1026 O ALA A 71 23.897 5.019 13.419 1.00 0.00 O ATOM 1027 CB ALA A 71 26.907 4.753 11.795 1.00 0.00 C ATOM 0 H ALA A 71 26.424 2.433 11.082 1.00 0.00 H new ATOM 0 HA ALA A 71 26.016 3.709 13.436 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.002 5.694 12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.841 4.195 11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.690 4.959 10.747 1.00 0.00 H new ATOM 1033 N GLN A 72 24.017 5.069 11.172 1.00 0.00 N ATOM 1034 CA GLN A 72 22.783 5.829 11.014 1.00 0.00 C ATOM 1035 C GLN A 72 21.881 5.191 9.962 1.00 0.00 C ATOM 1036 O GLN A 72 22.355 4.509 9.053 1.00 0.00 O ATOM 1037 CB GLN A 72 23.096 7.275 10.626 1.00 0.00 C ATOM 1038 CG GLN A 72 23.361 8.181 11.817 1.00 0.00 C ATOM 1039 CD GLN A 72 22.320 8.030 12.908 1.00 0.00 C ATOM 1040 OE1 GLN A 72 21.165 8.421 12.738 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.724 7.461 14.038 1.00 0.00 N ATOM 0 H GLN A 72 24.483 4.834 10.296 1.00 0.00 H new ATOM 0 HA GLN A 72 22.257 5.822 11.969 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.967 7.286 9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.261 7.677 10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.346 7.957 12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.383 9.218 11.482 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.691 7.152 14.136 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.067 7.333 14.808 1.00 0.00 H new ATOM 1050 N THR A 73 20.577 5.417 10.092 1.00 0.00 N ATOM 1051 CA THR A 73 19.609 4.863 9.154 1.00 0.00 C ATOM 1052 C THR A 73 18.474 5.847 8.891 1.00 0.00 C ATOM 1053 O THR A 73 17.929 6.443 9.820 1.00 0.00 O ATOM 1054 CB THR A 73 19.016 3.540 9.674 1.00 0.00 C ATOM 1055 OG1 THR A 73 20.069 2.625 9.998 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.095 2.915 8.638 1.00 0.00 C ATOM 0 H THR A 73 20.168 5.980 10.838 1.00 0.00 H new ATOM 0 HA THR A 73 20.144 4.672 8.224 1.00 0.00 H new ATOM 0 HB THR A 73 18.434 3.756 10.570 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.684 1.787 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.689 1.982 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.278 3.602 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.657 2.713 7.726 1.00 0.00 H new ATOM 1064 N ILE A 74 18.123 6.011 7.620 1.00 0.00 N ATOM 1065 CA ILE A 74 17.052 6.921 7.236 1.00 0.00 C ATOM 1066 C ILE A 74 15.965 6.192 6.453 1.00 0.00 C ATOM 1067 O ILE A 74 16.253 5.456 5.508 1.00 0.00 O ATOM 1068 CB ILE A 74 17.584 8.091 6.386 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.657 8.862 7.157 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.444 9.016 5.986 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.459 9.809 6.292 1.00 0.00 C ATOM 0 H ILE A 74 18.565 5.526 6.839 1.00 0.00 H new ATOM 0 HA ILE A 74 16.628 7.316 8.159 1.00 0.00 H new ATOM 0 HB ILE A 74 18.034 7.687 5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.181 9.429 7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.335 8.151 7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.835 9.838 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.711 8.459 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.968 9.415 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.201 10.322 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.963 9.246 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.792 10.543 5.840 1.00 0.00 H new ATOM 1083 N LYS A 75 14.715 6.403 6.850 1.00 0.00 N ATOM 1084 CA LYS A 75 13.583 5.769 6.184 1.00 0.00 C ATOM 1085 C LYS A 75 12.658 6.814 5.569 1.00 0.00 C ATOM 1086 O LYS A 75 12.014 7.583 6.282 1.00 0.00 O ATOM 1087 CB LYS A 75 12.803 4.902 7.175 1.00 0.00 C ATOM 1088 CG LYS A 75 13.520 3.618 7.556 1.00 0.00 C ATOM 1089 CD LYS A 75 12.753 2.844 8.615 1.00 0.00 C ATOM 1090 CE LYS A 75 13.583 1.703 9.182 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.392 0.443 8.412 1.00 0.00 N ATOM 0 H LYS A 75 14.460 7.009 7.630 1.00 0.00 H new ATOM 0 HA LYS A 75 13.971 5.138 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.609 5.482 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.834 4.653 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.648 2.995 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.517 3.854 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.462 3.518 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.834 2.447 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.637 1.980 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.309 1.537 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.215 -0.177 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.533 -0.040 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.294 0.666 7.401 1.00 0.00 H new ATOM 1105 N VAL A 76 12.597 6.835 4.241 1.00 0.00 N ATOM 1106 CA VAL A 76 11.749 7.785 3.530 1.00 0.00 C ATOM 1107 C VAL A 76 10.677 7.064 2.720 1.00 0.00 C ATOM 1108 O VAL A 76 10.676 5.837 2.626 1.00 0.00 O ATOM 1109 CB VAL A 76 12.575 8.679 2.587 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.591 9.491 3.376 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.264 7.838 1.523 1.00 0.00 C ATOM 0 H VAL A 76 13.124 6.205 3.636 1.00 0.00 H new ATOM 0 HA VAL A 76 11.272 8.410 4.285 1.00 0.00 H new ATOM 0 HB VAL A 76 11.899 9.373 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.166 10.117 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.071 10.122 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.265 8.816 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.843 8.486 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.929 7.119 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.514 7.305 0.938 1.00 0.00 H new ATOM 1121 N ASP A 77 9.767 7.835 2.136 1.00 0.00 N ATOM 1122 CA ASP A 77 8.689 7.271 1.332 1.00 0.00 C ATOM 1123 C ASP A 77 9.235 6.655 0.048 1.00 0.00 C ATOM 1124 O ASP A 77 10.254 7.100 -0.483 1.00 0.00 O ATOM 1125 CB ASP A 77 7.657 8.349 0.996 1.00 0.00 C ATOM 1126 CG ASP A 77 7.183 9.099 2.225 1.00 0.00 C ATOM 1127 OD1 ASP A 77 7.828 10.104 2.592 1.00 0.00 O ATOM 1128 OD2 ASP A 77 6.167 8.683 2.819 1.00 0.00 O ATOM 0 H ASP A 77 9.754 8.853 2.204 1.00 0.00 H new ATOM 0 HA ASP A 77 8.207 6.486 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.091 9.055 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.801 7.888 0.503 1.00 0.00 H new ATOM 1133 N TYR A 78 8.552 5.628 -0.447 1.00 0.00 N ATOM 1134 CA TYR A 78 8.971 4.948 -1.667 1.00 0.00 C ATOM 1135 C TYR A 78 9.122 5.938 -2.818 1.00 0.00 C ATOM 1136 O TYR A 78 10.134 5.944 -3.519 1.00 0.00 O ATOM 1137 CB TYR A 78 7.961 3.862 -2.042 1.00 0.00 C ATOM 1138 CG TYR A 78 6.568 4.393 -2.295 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.673 4.578 -1.249 1.00 0.00 C ATOM 1140 CD2 TYR A 78 6.147 4.710 -3.581 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.399 5.061 -1.475 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.875 5.195 -3.817 1.00 0.00 C ATOM 1143 CZ TYR A 78 4.005 5.369 -2.761 1.00 0.00 C ATOM 1144 OH TYR A 78 2.737 5.852 -2.991 1.00 0.00 O ATOM 0 H TYR A 78 7.706 5.248 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 78 9.940 4.485 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.311 3.344 -2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.920 3.124 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.979 4.340 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.826 4.575 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.715 5.197 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.564 5.436 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 78 2.620 6.020 -3.949 1.00 0.00 H new ATOM 1154 N LYS A 79 8.108 6.776 -3.006 1.00 0.00 N ATOM 1155 CA LYS A 79 8.127 7.773 -4.069 1.00 0.00 C ATOM 1156 C LYS A 79 9.523 8.362 -4.239 1.00 0.00 C ATOM 1157 O LYS A 79 10.005 8.527 -5.360 1.00 0.00 O ATOM 1158 CB LYS A 79 7.124 8.889 -3.768 1.00 0.00 C ATOM 1159 CG LYS A 79 5.674 8.444 -3.854 1.00 0.00 C ATOM 1160 CD LYS A 79 4.727 9.632 -3.879 1.00 0.00 C ATOM 1161 CE LYS A 79 3.377 9.255 -4.470 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.627 10.451 -4.946 1.00 0.00 N ATOM 0 H LYS A 79 7.263 6.784 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 79 7.845 7.280 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.317 9.279 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.286 9.709 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.529 7.843 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.437 7.806 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.589 10.010 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.169 10.439 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.524 8.564 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.786 8.730 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.713 10.153 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.464 11.099 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.180 10.938 -5.680 1.00 0.00 H new ATOM 1176 N GLN A 80 10.168 8.676 -3.120 1.00 0.00 N ATOM 1177 CA GLN A 80 11.510 9.246 -3.147 1.00 0.00 C ATOM 1178 C GLN A 80 12.460 8.365 -3.950 1.00 0.00 C ATOM 1179 O GLN A 80 12.708 7.214 -3.590 1.00 0.00 O ATOM 1180 CB GLN A 80 12.040 9.423 -1.723 1.00 0.00 C ATOM 1181 CG GLN A 80 11.441 10.614 -0.994 1.00 0.00 C ATOM 1182 CD GLN A 80 11.376 11.857 -1.860 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.279 12.693 -1.835 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.304 11.984 -2.634 1.00 0.00 N ATOM 0 H GLN A 80 9.783 8.545 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 80 11.453 10.221 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.834 8.517 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.123 9.537 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.437 10.360 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.034 10.826 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.579 11.266 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.206 12.799 -3.239 1.00 0.00 H new ATOM 1193 N ARG A 81 12.988 8.912 -5.040 1.00 0.00 N ATOM 1194 CA ARG A 81 13.910 8.174 -5.895 1.00 0.00 C ATOM 1195 C ARG A 81 15.340 8.282 -5.374 1.00 0.00 C ATOM 1196 O ARG A 81 16.134 7.351 -5.512 1.00 0.00 O ATOM 1197 CB ARG A 81 13.839 8.699 -7.330 1.00 0.00 C ATOM 1198 CG ARG A 81 14.196 7.658 -8.378 1.00 0.00 C ATOM 1199 CD ARG A 81 15.687 7.658 -8.677 1.00 0.00 C ATOM 1200 NE ARG A 81 16.020 6.784 -9.799 1.00 0.00 N ATOM 1201 CZ ARG A 81 17.160 6.861 -10.477 1.00 0.00 C ATOM 1202 NH1 ARG A 81 18.072 7.765 -10.147 1.00 0.00 N ATOM 1203 NH2 ARG A 81 17.391 6.031 -11.486 1.00 0.00 N ATOM 0 H ARG A 81 12.793 9.863 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 81 13.615 7.125 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.831 9.067 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.513 9.549 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.894 6.671 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.640 7.857 -9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.012 8.674 -8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.234 7.336 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 81 15.340 6.076 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.899 8.404 -9.371 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.946 7.822 -10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.693 5.333 -11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.267 6.091 -12.006 1.00 0.00 H new ATOM 1217 N TYR A 82 15.661 9.423 -4.774 1.00 0.00 N ATOM 1218 CA TYR A 82 16.996 9.654 -4.235 1.00 0.00 C ATOM 1219 C TYR A 82 16.936 10.534 -2.990 1.00 0.00 C ATOM 1220 O TYR A 82 15.903 11.132 -2.688 1.00 0.00 O ATOM 1221 CB TYR A 82 17.891 10.304 -5.291 1.00 0.00 C ATOM 1222 CG TYR A 82 17.723 11.804 -5.386 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.596 12.361 -5.976 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.692 12.664 -4.883 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.439 13.731 -6.066 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.543 14.035 -4.966 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.415 14.563 -5.559 1.00 0.00 C ATOM 1228 OH TYR A 82 17.262 15.928 -5.645 1.00 0.00 O ATOM 0 H TYR A 82 15.015 10.202 -4.649 1.00 0.00 H new ATOM 0 HA TYR A 82 17.419 8.689 -3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.932 10.077 -5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.674 9.860 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.829 11.712 -6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.577 12.253 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.557 14.148 -6.530 1.00 0.00 H new ATOM 0 HE2 TYR A 82 19.305 14.689 -4.569 1.00 0.00 H new ATOM 0 HH TYR A 82 18.037 16.370 -5.240 1.00 0.00 H new ATOM 1238 N TYR A 83 18.051 10.610 -2.273 1.00 0.00 N ATOM 1239 CA TYR A 83 18.127 11.415 -1.060 1.00 0.00 C ATOM 1240 C TYR A 83 19.465 12.143 -0.972 1.00 0.00 C ATOM 1241 O TYR A 83 20.502 11.614 -1.373 1.00 0.00 O ATOM 1242 CB TYR A 83 17.930 10.535 0.175 1.00 0.00 C ATOM 1243 CG TYR A 83 17.695 11.319 1.447 1.00 0.00 C ATOM 1244 CD1 TYR A 83 16.430 11.796 1.768 1.00 0.00 C ATOM 1245 CD2 TYR A 83 18.738 11.584 2.326 1.00 0.00 C ATOM 1246 CE1 TYR A 83 16.211 12.514 2.928 1.00 0.00 C ATOM 1247 CE2 TYR A 83 18.527 12.299 3.489 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.262 12.762 3.785 1.00 0.00 C ATOM 1249 OH TYR A 83 17.049 13.476 4.942 1.00 0.00 O ATOM 0 H TYR A 83 18.915 10.124 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 83 17.331 12.159 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.082 9.871 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.809 9.904 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.604 11.602 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 83 19.730 11.225 2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 83 15.222 12.879 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.348 12.494 4.163 1.00 0.00 H new ATOM 0 HH TYR A 83 17.892 13.561 5.434 1.00 0.00 H new ATOM 1259 N THR A 84 19.434 13.363 -0.443 1.00 0.00 N ATOM 1260 CA THR A 84 20.642 14.165 -0.302 1.00 0.00 C ATOM 1261 C THR A 84 21.032 14.319 1.164 1.00 0.00 C ATOM 1262 O THR A 84 20.417 15.091 1.901 1.00 0.00 O ATOM 1263 CB THR A 84 20.464 15.563 -0.923 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.149 15.444 -2.315 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.725 16.396 -0.753 1.00 0.00 C ATOM 0 H THR A 84 18.585 13.816 -0.105 1.00 0.00 H new ATOM 0 HA THR A 84 21.435 13.638 -0.833 1.00 0.00 H new ATOM 0 HB THR A 84 19.645 16.064 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.036 16.337 -2.702 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.575 17.379 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.946 16.510 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.560 15.897 -1.246 1.00 0.00 H new ATOM 1273 N ILE A 85 22.056 13.582 1.580 1.00 0.00 N ATOM 1274 CA ILE A 85 22.527 13.639 2.958 1.00 0.00 C ATOM 1275 C ILE A 85 23.553 14.752 3.142 1.00 0.00 C ATOM 1276 O ILE A 85 24.648 14.698 2.584 1.00 0.00 O ATOM 1277 CB ILE A 85 23.154 12.301 3.394 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.206 11.142 3.079 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.488 12.331 4.878 1.00 0.00 C ATOM 1280 CD1 ILE A 85 22.872 9.785 3.134 1.00 0.00 C ATOM 0 H ILE A 85 22.575 12.939 0.983 1.00 0.00 H new ATOM 0 HA ILE A 85 21.657 13.843 3.581 1.00 0.00 H new ATOM 0 HB ILE A 85 24.079 12.151 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.376 11.159 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.782 11.290 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 85 23.930 11.379 5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.196 13.136 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.577 12.500 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.141 9.011 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.684 9.748 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.272 9.616 4.134 1.00 0.00 H new ATOM 1292 N GLU A 86 23.190 15.759 3.930 1.00 0.00 N ATOM 1293 CA GLU A 86 24.081 16.885 4.189 1.00 0.00 C ATOM 1294 C GLU A 86 24.643 16.819 5.606 1.00 0.00 C ATOM 1295 O GLU A 86 24.347 15.894 6.361 1.00 0.00 O ATOM 1296 CB GLU A 86 23.339 18.207 3.983 1.00 0.00 C ATOM 1297 CG GLU A 86 22.882 18.432 2.552 1.00 0.00 C ATOM 1298 CD GLU A 86 22.071 19.704 2.392 1.00 0.00 C ATOM 1299 OE1 GLU A 86 20.862 19.681 2.703 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.647 20.723 1.956 1.00 0.00 O ATOM 0 H GLU A 86 22.287 15.819 4.400 1.00 0.00 H new ATOM 0 HA GLU A 86 24.911 16.829 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.470 18.233 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.989 19.029 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.754 18.477 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.284 17.581 2.227 1.00 0.00 H new ATOM 1307 N ASN A 87 25.457 17.808 5.959 1.00 0.00 N ATOM 1308 CA ASN A 87 26.063 17.863 7.285 1.00 0.00 C ATOM 1309 C ASN A 87 26.940 16.640 7.533 1.00 0.00 C ATOM 1310 O ASN A 87 26.813 15.969 8.559 1.00 0.00 O ATOM 1311 CB ASN A 87 24.978 17.954 8.361 1.00 0.00 C ATOM 1312 CG ASN A 87 24.068 19.151 8.164 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.277 20.208 8.758 1.00 0.00 O ATOM 1314 ND2 ASN A 87 23.050 18.988 7.327 1.00 0.00 N ATOM 0 H ASN A 87 25.712 18.582 5.346 1.00 0.00 H new ATOM 0 HA ASN A 87 26.690 18.753 7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.382 17.042 8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.448 18.016 9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.403 19.757 7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.915 18.093 6.856 1.00 0.00 H new ATOM 1321 N LEU A 88 27.830 16.355 6.589 1.00 0.00 N ATOM 1322 CA LEU A 88 28.730 15.213 6.705 1.00 0.00 C ATOM 1323 C LEU A 88 30.186 15.655 6.604 1.00 0.00 C ATOM 1324 O LEU A 88 30.490 16.699 6.027 1.00 0.00 O ATOM 1325 CB LEU A 88 28.420 14.183 5.617 1.00 0.00 C ATOM 1326 CG LEU A 88 26.960 13.745 5.503 1.00 0.00 C ATOM 1327 CD1 LEU A 88 26.751 12.904 4.253 1.00 0.00 C ATOM 1328 CD2 LEU A 88 26.535 12.975 6.744 1.00 0.00 C ATOM 0 H LEU A 88 27.948 16.899 5.734 1.00 0.00 H new ATOM 0 HA LEU A 88 28.576 14.757 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.731 14.594 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.031 13.298 5.798 1.00 0.00 H new ATOM 0 HG LEU A 88 26.339 14.637 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 88 25.706 12.601 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.014 13.490 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.383 12.017 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.493 12.671 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.162 12.090 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.646 13.611 7.622 1.00 0.00 H new ATOM 1340 N ASP A 89 31.083 14.852 7.165 1.00 0.00 N ATOM 1341 CA ASP A 89 32.508 15.157 7.136 1.00 0.00 C ATOM 1342 C ASP A 89 33.115 14.792 5.784 1.00 0.00 C ATOM 1343 O ASP A 89 33.066 13.643 5.345 1.00 0.00 O ATOM 1344 CB ASP A 89 33.236 14.410 8.254 1.00 0.00 C ATOM 1345 CG ASP A 89 34.680 14.847 8.399 1.00 0.00 C ATOM 1346 OD1 ASP A 89 34.912 16.036 8.701 1.00 0.00 O ATOM 1347 OD2 ASP A 89 35.579 14.000 8.209 1.00 0.00 O ATOM 0 H ASP A 89 30.848 13.984 7.646 1.00 0.00 H new ATOM 0 HA ASP A 89 32.627 16.229 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.714 14.574 9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.202 13.339 8.053 1.00 0.00 H new ATOM 1352 N PRO A 90 33.699 15.791 5.108 1.00 0.00 N ATOM 1353 CA PRO A 90 34.326 15.599 3.796 1.00 0.00 C ATOM 1354 C PRO A 90 35.607 14.776 3.881 1.00 0.00 C ATOM 1355 O PRO A 90 36.021 14.365 4.964 1.00 0.00 O ATOM 1356 CB PRO A 90 34.637 17.027 3.340 1.00 0.00 C ATOM 1357 CG PRO A 90 34.759 17.810 4.601 1.00 0.00 C ATOM 1358 CD PRO A 90 33.794 17.186 5.571 1.00 0.00 C ATOM 0 HA PRO A 90 33.680 15.049 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.559 17.065 2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 90 33.844 17.421 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.778 17.773 4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.519 18.860 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.160 17.245 6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.824 17.683 5.549 1.00 0.00 H new ATOM 1366 N SER A 91 36.230 14.540 2.731 1.00 0.00 N ATOM 1367 CA SER A 91 37.462 13.763 2.674 1.00 0.00 C ATOM 1368 C SER A 91 37.378 12.544 3.588 1.00 0.00 C ATOM 1369 O SER A 91 38.263 12.310 4.412 1.00 0.00 O ATOM 1370 CB SER A 91 38.657 14.632 3.073 1.00 0.00 C ATOM 1371 OG SER A 91 38.388 15.353 4.263 1.00 0.00 O ATOM 0 H SER A 91 35.901 14.876 1.826 1.00 0.00 H new ATOM 0 HA SER A 91 37.598 13.419 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 91 39.536 14.004 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.890 15.328 2.267 1.00 0.00 H new ATOM 0 HG SER A 91 37.774 14.837 4.826 1.00 0.00 H new ATOM 1377 N SER A 92 36.307 11.772 3.437 1.00 0.00 N ATOM 1378 CA SER A 92 36.104 10.579 4.250 1.00 0.00 C ATOM 1379 C SER A 92 35.283 9.539 3.494 1.00 0.00 C ATOM 1380 O SER A 92 34.341 9.877 2.776 1.00 0.00 O ATOM 1381 CB SER A 92 35.405 10.943 5.561 1.00 0.00 C ATOM 1382 OG SER A 92 36.318 11.503 6.488 1.00 0.00 O ATOM 0 H SER A 92 35.566 11.951 2.759 1.00 0.00 H new ATOM 0 HA SER A 92 37.081 10.151 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.602 11.653 5.363 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.946 10.053 5.991 1.00 0.00 H new ATOM 0 HG SER A 92 37.143 11.756 6.023 1.00 0.00 H new ATOM 1388 N HIS A 93 35.647 8.271 3.661 1.00 0.00 N ATOM 1389 CA HIS A 93 34.944 7.180 2.995 1.00 0.00 C ATOM 1390 C HIS A 93 33.670 6.814 3.750 1.00 0.00 C ATOM 1391 O HIS A 93 33.713 6.480 4.935 1.00 0.00 O ATOM 1392 CB HIS A 93 35.852 5.956 2.880 1.00 0.00 C ATOM 1393 CG HIS A 93 35.115 4.691 2.559 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.456 3.466 3.093 1.00 0.00 N ATOM 1395 CD2 HIS A 93 34.049 4.467 1.756 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.632 2.543 2.631 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.769 3.124 1.817 1.00 0.00 N ATOM 0 H HIS A 93 36.424 7.974 4.251 1.00 0.00 H new ATOM 0 HA HIS A 93 34.669 7.514 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.598 6.139 2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.391 5.825 3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.518 5.207 1.175 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.659 1.492 2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 93 33.017 2.652 1.315 1.00 0.00 H new ATOM 1406 N TYR A 94 32.538 6.879 3.058 1.00 0.00 N ATOM 1407 CA TYR A 94 31.252 6.557 3.664 1.00 0.00 C ATOM 1408 C TYR A 94 30.614 5.352 2.981 1.00 0.00 C ATOM 1409 O TYR A 94 30.594 5.257 1.753 1.00 0.00 O ATOM 1410 CB TYR A 94 30.311 7.761 3.583 1.00 0.00 C ATOM 1411 CG TYR A 94 30.468 8.731 4.731 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.459 9.704 4.714 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.624 8.675 5.834 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.607 10.592 5.762 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.764 9.560 6.886 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.757 10.516 6.845 1.00 0.00 C ATOM 1417 OH TYR A 94 30.900 11.400 7.890 1.00 0.00 O ATOM 0 H TYR A 94 32.485 7.152 2.077 1.00 0.00 H new ATOM 0 HA TYR A 94 31.425 6.308 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.489 8.288 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.281 7.405 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.126 9.768 3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.846 7.927 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.384 11.341 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.100 9.503 7.735 1.00 0.00 H new ATOM 0 HH TYR A 94 30.222 11.212 8.572 1.00 0.00 H new ATOM 1427 N VAL A 95 30.092 4.431 3.785 1.00 0.00 N ATOM 1428 CA VAL A 95 29.451 3.231 3.260 1.00 0.00 C ATOM 1429 C VAL A 95 27.935 3.389 3.224 1.00 0.00 C ATOM 1430 O VAL A 95 27.273 3.355 4.262 1.00 0.00 O ATOM 1431 CB VAL A 95 29.808 1.991 4.100 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.060 0.768 3.592 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.310 1.751 4.085 1.00 0.00 C ATOM 0 H VAL A 95 30.100 4.493 4.803 1.00 0.00 H new ATOM 0 HA VAL A 95 29.823 3.092 2.245 1.00 0.00 H new ATOM 0 HB VAL A 95 29.502 2.172 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.325 -0.098 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.986 0.944 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.332 0.581 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.544 0.871 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.643 1.591 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.821 2.619 4.501 1.00 0.00 H new ATOM 1443 N ILE A 96 27.392 3.561 2.024 1.00 0.00 N ATOM 1444 CA ILE A 96 25.953 3.722 1.854 1.00 0.00 C ATOM 1445 C ILE A 96 25.286 2.390 1.527 1.00 0.00 C ATOM 1446 O ILE A 96 25.806 1.599 0.739 1.00 0.00 O ATOM 1447 CB ILE A 96 25.629 4.733 0.739 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.965 6.154 1.195 1.00 0.00 C ATOM 1449 CG2 ILE A 96 24.163 4.631 0.341 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.439 6.482 1.113 1.00 0.00 C ATOM 0 H ILE A 96 27.926 3.592 1.156 1.00 0.00 H new ATOM 0 HA ILE A 96 25.563 4.098 2.800 1.00 0.00 H new ATOM 0 HB ILE A 96 26.239 4.498 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.408 6.864 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.628 6.286 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.949 5.352 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.953 3.624 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.535 4.844 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.604 7.505 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.000 5.795 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.777 6.382 0.082 1.00 0.00 H new ATOM 1462 N THR A 97 24.129 2.149 2.136 1.00 0.00 N ATOM 1463 CA THR A 97 23.390 0.913 1.910 1.00 0.00 C ATOM 1464 C THR A 97 21.905 1.191 1.708 1.00 0.00 C ATOM 1465 O THR A 97 21.393 2.228 2.133 1.00 0.00 O ATOM 1466 CB THR A 97 23.562 -0.068 3.085 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.139 0.551 4.305 1.00 0.00 O ATOM 1468 CG2 THR A 97 25.011 -0.512 3.211 1.00 0.00 C ATOM 0 H THR A 97 23.684 2.793 2.789 1.00 0.00 H new ATOM 0 HA THR A 97 23.799 0.460 1.007 1.00 0.00 H new ATOM 0 HB THR A 97 22.946 -0.946 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.250 -0.079 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.108 -1.204 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.321 -1.008 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.644 0.358 3.385 1.00 0.00 H new ATOM 1476 N LEU A 98 21.216 0.259 1.058 1.00 0.00 N ATOM 1477 CA LEU A 98 19.788 0.403 0.800 1.00 0.00 C ATOM 1478 C LEU A 98 19.082 -0.947 0.873 1.00 0.00 C ATOM 1479 O LEU A 98 19.542 -1.933 0.296 1.00 0.00 O ATOM 1480 CB LEU A 98 19.559 1.037 -0.573 1.00 0.00 C ATOM 1481 CG LEU A 98 18.123 1.002 -1.097 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.312 2.148 -0.512 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.109 1.058 -2.618 1.00 0.00 C ATOM 0 H LEU A 98 21.624 -0.605 0.700 1.00 0.00 H new ATOM 0 HA LEU A 98 19.369 1.053 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.884 2.077 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.201 0.533 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 98 17.665 0.064 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.293 2.106 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.293 2.063 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.768 3.097 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.079 1.032 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.585 1.980 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.653 0.202 -3.019 1.00 0.00 H new ATOM 1495 N LYS A 99 17.961 -0.985 1.585 1.00 0.00 N ATOM 1496 CA LYS A 99 17.189 -2.213 1.732 1.00 0.00 C ATOM 1497 C LYS A 99 15.698 -1.943 1.552 1.00 0.00 C ATOM 1498 O LYS A 99 15.158 -0.992 2.117 1.00 0.00 O ATOM 1499 CB LYS A 99 17.442 -2.839 3.105 1.00 0.00 C ATOM 1500 CG LYS A 99 17.005 -1.959 4.264 1.00 0.00 C ATOM 1501 CD LYS A 99 17.118 -2.690 5.592 1.00 0.00 C ATOM 1502 CE LYS A 99 18.553 -2.712 6.096 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.620 -2.899 7.571 1.00 0.00 N ATOM 0 H LYS A 99 17.567 -0.179 2.070 1.00 0.00 H new ATOM 0 HA LYS A 99 17.511 -2.909 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.915 -3.791 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.505 -3.057 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.619 -1.058 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.975 -1.638 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.479 -2.206 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.756 -3.712 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.099 -3.516 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.047 -1.779 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.615 -2.908 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.121 -2.118 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.171 -3.801 7.827 1.00 0.00 H new ATOM 1517 N ALA A 100 15.039 -2.786 0.764 1.00 0.00 N ATOM 1518 CA ALA A 100 13.611 -2.640 0.513 1.00 0.00 C ATOM 1519 C ALA A 100 12.790 -3.325 1.600 1.00 0.00 C ATOM 1520 O ALA A 100 13.016 -4.493 1.919 1.00 0.00 O ATOM 1521 CB ALA A 100 13.255 -3.203 -0.855 1.00 0.00 C ATOM 0 H ALA A 100 15.472 -3.578 0.288 1.00 0.00 H new ATOM 0 HA ALA A 100 13.371 -1.577 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.185 -3.087 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.808 -2.665 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.516 -4.261 -0.892 1.00 0.00 H new ATOM 1527 N PHE A 101 11.836 -2.592 2.165 1.00 0.00 N ATOM 1528 CA PHE A 101 10.982 -3.130 3.218 1.00 0.00 C ATOM 1529 C PHE A 101 9.512 -2.854 2.919 1.00 0.00 C ATOM 1530 O PHE A 101 9.179 -1.904 2.212 1.00 0.00 O ATOM 1531 CB PHE A 101 11.362 -2.523 4.571 1.00 0.00 C ATOM 1532 CG PHE A 101 10.927 -1.094 4.730 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.718 -0.059 4.257 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.728 -0.786 5.352 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.320 1.256 4.404 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.325 0.528 5.501 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.122 1.550 5.025 1.00 0.00 C ATOM 0 H PHE A 101 11.635 -1.625 1.912 1.00 0.00 H new ATOM 0 HA PHE A 101 11.130 -4.209 3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.917 -3.121 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.443 -2.581 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.655 -0.283 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.101 -1.582 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.946 2.054 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.388 0.755 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.809 2.577 5.138 1.00 0.00 H new ATOM 1547 N ASN A 102 8.636 -3.693 3.462 1.00 0.00 N ATOM 1548 CA ASN A 102 7.201 -3.542 3.253 1.00 0.00 C ATOM 1549 C ASN A 102 6.416 -4.109 4.432 1.00 0.00 C ATOM 1550 O ASN A 102 6.997 -4.529 5.433 1.00 0.00 O ATOM 1551 CB ASN A 102 6.776 -4.240 1.960 1.00 0.00 C ATOM 1552 CG ASN A 102 6.678 -5.745 2.121 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.058 -6.296 3.154 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.168 -6.417 1.096 1.00 0.00 N ATOM 0 H ASN A 102 8.895 -4.485 4.050 1.00 0.00 H new ATOM 0 HA ASN A 102 6.982 -2.477 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.811 -3.848 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.493 -4.007 1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.078 -7.432 1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.866 -5.918 0.259 1.00 0.00 H new ATOM 1561 N ASN A 103 5.093 -4.119 4.306 1.00 0.00 N ATOM 1562 CA ASN A 103 4.229 -4.636 5.361 1.00 0.00 C ATOM 1563 C ASN A 103 4.701 -6.009 5.828 1.00 0.00 C ATOM 1564 O ASN A 103 4.657 -6.322 7.018 1.00 0.00 O ATOM 1565 CB ASN A 103 2.783 -4.721 4.868 1.00 0.00 C ATOM 1566 CG ASN A 103 1.869 -5.398 5.871 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.456 -4.792 6.859 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.550 -6.663 5.620 1.00 0.00 N ATOM 0 H ASN A 103 4.596 -3.775 3.484 1.00 0.00 H new ATOM 0 HA ASN A 103 4.278 -3.949 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.412 -3.717 4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.755 -5.270 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.939 -7.171 6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.916 -7.126 4.788 1.00 0.00 H new ATOM 1575 N VAL A 104 5.153 -6.827 4.882 1.00 0.00 N ATOM 1576 CA VAL A 104 5.635 -8.166 5.195 1.00 0.00 C ATOM 1577 C VAL A 104 6.845 -8.112 6.120 1.00 0.00 C ATOM 1578 O VAL A 104 6.890 -8.797 7.141 1.00 0.00 O ATOM 1579 CB VAL A 104 6.013 -8.940 3.918 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.390 -10.374 4.254 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.870 -8.902 2.915 1.00 0.00 C ATOM 0 H VAL A 104 5.195 -6.585 3.892 1.00 0.00 H new ATOM 0 HA VAL A 104 4.820 -8.686 5.698 1.00 0.00 H new ATOM 0 HB VAL A 104 6.880 -8.459 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.654 -10.905 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.242 -10.376 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.545 -10.870 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.154 -9.454 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.984 -9.358 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.652 -7.867 2.650 1.00 0.00 H new ATOM 1591 N GLY A 105 7.826 -7.292 5.755 1.00 0.00 N ATOM 1592 CA GLY A 105 9.025 -7.163 6.564 1.00 0.00 C ATOM 1593 C GLY A 105 10.108 -6.361 5.870 1.00 0.00 C ATOM 1594 O GLY A 105 9.843 -5.290 5.326 1.00 0.00 O ATOM 0 H GLY A 105 7.812 -6.715 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.772 -6.684 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.408 -8.155 6.802 1.00 0.00 H new ATOM 1598 N GLU A 106 11.332 -6.880 5.892 1.00 0.00 N ATOM 1599 CA GLU A 106 12.459 -6.203 5.262 1.00 0.00 C ATOM 1600 C GLU A 106 13.216 -7.152 4.337 1.00 0.00 C ATOM 1601 O GLU A 106 13.172 -8.369 4.508 1.00 0.00 O ATOM 1602 CB GLU A 106 13.407 -5.646 6.326 1.00 0.00 C ATOM 1603 CG GLU A 106 12.758 -4.626 7.246 1.00 0.00 C ATOM 1604 CD GLU A 106 13.769 -3.874 8.089 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.595 -4.534 8.754 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.734 -2.626 8.086 1.00 0.00 O ATOM 0 H GLU A 106 11.568 -7.766 6.339 1.00 0.00 H new ATOM 0 HA GLU A 106 12.068 -5.378 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.791 -6.471 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.263 -5.185 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.188 -3.915 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.049 -5.132 7.901 1.00 0.00 H new ATOM 1613 N GLY A 107 13.911 -6.584 3.356 1.00 0.00 N ATOM 1614 CA GLY A 107 14.667 -7.392 2.417 1.00 0.00 C ATOM 1615 C GLY A 107 16.154 -7.384 2.712 1.00 0.00 C ATOM 1616 O GLY A 107 16.564 -7.234 3.863 1.00 0.00 O ATOM 0 H GLY A 107 13.964 -5.578 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.299 -8.418 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.498 -7.022 1.406 1.00 0.00 H new ATOM 1620 N ILE A 108 16.962 -7.547 1.671 1.00 0.00 N ATOM 1621 CA ILE A 108 18.412 -7.559 1.824 1.00 0.00 C ATOM 1622 C ILE A 108 19.020 -6.226 1.402 1.00 0.00 C ATOM 1623 O ILE A 108 18.795 -5.735 0.295 1.00 0.00 O ATOM 1624 CB ILE A 108 19.056 -8.689 0.999 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.202 -9.002 -0.231 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.238 -9.933 1.856 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.048 -9.937 0.057 1.00 0.00 C ATOM 0 H ILE A 108 16.638 -7.673 0.712 1.00 0.00 H new ATOM 0 HA ILE A 108 18.617 -7.730 2.881 1.00 0.00 H new ATOM 0 HB ILE A 108 20.038 -8.358 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.811 -8.070 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.835 -9.445 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.694 -10.723 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.883 -9.700 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.267 -10.269 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.486 -10.115 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.433 -10.884 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.393 -9.487 0.803 1.00 0.00 H new ATOM 1639 N PRO A 109 19.811 -5.625 2.303 1.00 0.00 N ATOM 1640 CA PRO A 109 20.471 -4.341 2.046 1.00 0.00 C ATOM 1641 C PRO A 109 21.579 -4.457 1.004 1.00 0.00 C ATOM 1642 O PRO A 109 22.011 -5.558 0.663 1.00 0.00 O ATOM 1643 CB PRO A 109 21.055 -3.963 3.409 1.00 0.00 C ATOM 1644 CG PRO A 109 21.239 -5.262 4.115 1.00 0.00 C ATOM 1645 CD PRO A 109 20.124 -6.152 3.642 1.00 0.00 C ATOM 0 HA PRO A 109 19.780 -3.601 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 109 22.002 -3.433 3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.382 -3.305 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.211 -5.698 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.199 -5.128 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.434 -7.196 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.261 -6.102 4.306 1.00 0.00 H new ATOM 1653 N LEU A 110 22.034 -3.314 0.503 1.00 0.00 N ATOM 1654 CA LEU A 110 23.093 -3.287 -0.500 1.00 0.00 C ATOM 1655 C LEU A 110 24.393 -2.754 0.094 1.00 0.00 C ATOM 1656 O LEU A 110 24.448 -2.396 1.271 1.00 0.00 O ATOM 1657 CB LEU A 110 22.672 -2.425 -1.692 1.00 0.00 C ATOM 1658 CG LEU A 110 21.541 -2.982 -2.557 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.735 -1.850 -3.174 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.098 -3.895 -3.640 1.00 0.00 C ATOM 0 H LEU A 110 21.687 -2.394 0.775 1.00 0.00 H new ATOM 0 HA LEU A 110 23.263 -4.308 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.369 -1.447 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.544 -2.267 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 110 20.878 -3.569 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.934 -2.265 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.305 -1.236 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.387 -1.236 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.279 -4.282 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.783 -3.332 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.631 -4.725 -3.177 1.00 0.00 H new ATOM 1672 N TYR A 111 25.435 -2.702 -0.728 1.00 0.00 N ATOM 1673 CA TYR A 111 26.735 -2.212 -0.283 1.00 0.00 C ATOM 1674 C TYR A 111 27.394 -1.359 -1.363 1.00 0.00 C ATOM 1675 O TYR A 111 27.741 -1.855 -2.434 1.00 0.00 O ATOM 1676 CB TYR A 111 27.647 -3.384 0.084 1.00 0.00 C ATOM 1677 CG TYR A 111 27.541 -3.803 1.533 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.375 -4.373 2.029 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.607 -3.629 2.406 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.273 -4.756 3.352 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.516 -4.011 3.731 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.347 -4.573 4.199 1.00 0.00 C ATOM 1683 OH TYR A 111 27.250 -4.955 5.517 1.00 0.00 O ATOM 0 H TYR A 111 25.405 -2.993 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 111 26.579 -1.592 0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.403 -4.236 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.680 -3.111 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.533 -4.519 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.523 -3.187 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.358 -5.196 3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.355 -3.870 4.396 1.00 0.00 H new ATOM 0 HH TYR A 111 28.093 -4.759 5.977 1.00 0.00 H new ATOM 1693 N GLU A 112 27.563 -0.073 -1.071 1.00 0.00 N ATOM 1694 CA GLU A 112 28.180 0.849 -2.017 1.00 0.00 C ATOM 1695 C GLU A 112 29.301 1.642 -1.351 1.00 0.00 C ATOM 1696 O GLU A 112 29.528 1.524 -0.147 1.00 0.00 O ATOM 1697 CB GLU A 112 27.132 1.807 -2.587 1.00 0.00 C ATOM 1698 CG GLU A 112 26.426 1.273 -3.822 1.00 0.00 C ATOM 1699 CD GLU A 112 27.387 0.659 -4.822 1.00 0.00 C ATOM 1700 OE1 GLU A 112 28.193 1.412 -5.409 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.332 -0.573 -5.019 1.00 0.00 O ATOM 0 H GLU A 112 27.282 0.353 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 112 28.607 0.263 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.389 2.019 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.613 2.753 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.692 0.525 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.877 2.083 -4.301 1.00 0.00 H new ATOM 1708 N SER A 113 29.998 2.450 -2.143 1.00 0.00 N ATOM 1709 CA SER A 113 31.098 3.259 -1.633 1.00 0.00 C ATOM 1710 C SER A 113 30.989 4.698 -2.128 1.00 0.00 C ATOM 1711 O SER A 113 30.637 4.944 -3.281 1.00 0.00 O ATOM 1712 CB SER A 113 32.440 2.661 -2.059 1.00 0.00 C ATOM 1713 OG SER A 113 32.485 2.456 -3.460 1.00 0.00 O ATOM 0 H SER A 113 29.820 2.562 -3.141 1.00 0.00 H new ATOM 0 HA SER A 113 31.040 3.262 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.250 3.326 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.599 1.713 -1.544 1.00 0.00 H new ATOM 0 HG SER A 113 33.353 2.075 -3.707 1.00 0.00 H new ATOM 1719 N ALA A 114 31.295 5.645 -1.247 1.00 0.00 N ATOM 1720 CA ALA A 114 31.234 7.060 -1.594 1.00 0.00 C ATOM 1721 C ALA A 114 32.254 7.865 -0.796 1.00 0.00 C ATOM 1722 O ALA A 114 32.125 8.019 0.419 1.00 0.00 O ATOM 1723 CB ALA A 114 29.831 7.601 -1.360 1.00 0.00 C ATOM 0 H ALA A 114 31.588 5.458 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 114 31.478 7.160 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.800 8.658 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.121 7.052 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.565 7.481 -0.310 1.00 0.00 H new ATOM 1729 N VAL A 115 33.268 8.377 -1.486 1.00 0.00 N ATOM 1730 CA VAL A 115 34.310 9.167 -0.842 1.00 0.00 C ATOM 1731 C VAL A 115 34.052 10.660 -1.012 1.00 0.00 C ATOM 1732 O VAL A 115 34.226 11.212 -2.099 1.00 0.00 O ATOM 1733 CB VAL A 115 35.702 8.829 -1.409 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.776 9.652 -0.714 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.986 7.341 -1.272 1.00 0.00 C ATOM 0 H VAL A 115 33.390 8.259 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 115 34.288 8.916 0.219 1.00 0.00 H new ATOM 0 HB VAL A 115 35.714 9.081 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.752 9.400 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.579 10.713 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.767 9.434 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.973 7.120 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.955 7.060 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.233 6.775 -1.821 1.00 0.00 H new ATOM 1745 N THR A 116 33.636 11.310 0.070 1.00 0.00 N ATOM 1746 CA THR A 116 33.353 12.739 0.041 1.00 0.00 C ATOM 1747 C THR A 116 34.505 13.515 -0.588 1.00 0.00 C ATOM 1748 O THR A 116 35.652 13.400 -0.156 1.00 0.00 O ATOM 1749 CB THR A 116 33.091 13.289 1.456 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.206 13.002 2.308 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.827 12.684 2.047 1.00 0.00 C ATOM 0 H THR A 116 33.488 10.869 0.978 1.00 0.00 H new ATOM 0 HA THR A 116 32.456 12.871 -0.564 1.00 0.00 H new ATOM 0 HB THR A 116 32.958 14.368 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.881 12.743 3.195 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.663 13.088 3.046 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.975 12.929 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.935 11.601 2.107 1.00 0.00 H new ATOM 1759 N ARG A 117 34.192 14.306 -1.609 1.00 0.00 N ATOM 1760 CA ARG A 117 35.201 15.101 -2.298 1.00 0.00 C ATOM 1761 C ARG A 117 36.129 15.786 -1.298 1.00 0.00 C ATOM 1762 O ARG A 117 35.757 16.061 -0.157 1.00 0.00 O ATOM 1763 CB ARG A 117 34.534 16.148 -3.192 1.00 0.00 C ATOM 1764 CG ARG A 117 33.828 15.555 -4.400 1.00 0.00 C ATOM 1765 CD ARG A 117 34.757 15.471 -5.602 1.00 0.00 C ATOM 1766 NE ARG A 117 35.514 14.223 -5.622 1.00 0.00 N ATOM 1767 CZ ARG A 117 36.677 14.079 -6.247 1.00 0.00 C ATOM 1768 NH1 ARG A 117 37.214 15.100 -6.899 1.00 0.00 N ATOM 1769 NH2 ARG A 117 37.306 12.910 -6.220 1.00 0.00 N ATOM 0 H ARG A 117 33.247 14.413 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 117 35.795 14.430 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.813 16.712 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.289 16.856 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 117 33.458 14.560 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 117 32.960 16.165 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 117 34.173 15.555 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 117 35.448 16.314 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 117 35.129 13.417 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 117 36.734 16.000 -6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 117 38.107 14.986 -7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 117 36.896 12.122 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 117 38.199 12.800 -6.700 1.00 0.00 H new ATOM 1783 N PRO A 118 37.365 16.069 -1.735 1.00 0.00 N ATOM 1784 CA PRO A 118 38.371 16.725 -0.895 1.00 0.00 C ATOM 1785 C PRO A 118 38.029 18.185 -0.615 1.00 0.00 C ATOM 1786 O PRO A 118 38.213 19.051 -1.472 1.00 0.00 O ATOM 1787 CB PRO A 118 39.650 16.625 -1.729 1.00 0.00 C ATOM 1788 CG PRO A 118 39.176 16.522 -3.138 1.00 0.00 C ATOM 1789 CD PRO A 118 37.876 15.770 -3.083 1.00 0.00 C ATOM 0 HA PRO A 118 38.450 16.258 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.284 17.500 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.241 15.754 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.037 17.510 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.904 15.998 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.186 16.104 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.024 14.700 -3.228 1.00 0.00 H new