USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 768 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 55 SER OG : rot 8:sc= 1.46 USER MOD Set 1.2: A 99 CYS SG : rot -149:sc= 1.2 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.24 F(o=-2.9!,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.333 K(o=-0.33,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.352 USER MOD Single : A 75 SER OG : rot 75:sc= 1 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -5.77! (180deg=-6.6!) USER MOD Single : A 88 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1.2!) USER MOD Single : A 92 TYR OH : rot -177:sc=0.000768 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.522 USER MOD Single : A 100 HIS : no HE2:sc= -0.445 K(o=-0.44,f=-3.9!) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 107 GLN : amide:sc= -4.28! C(o=-4.3!,f=-12!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot -160:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN :FLIP amide:sc= -5.22! C(o=-8.5!,f=-5.2!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc=-0.00224 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot -59:sc= 0.869 USER MOD Single : A 137 GLN :FLIP amide:sc= -5.77! C(o=-11!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 265 N ALA A 39 18.407 5.882 -1.049 1.00 0.00 N ATOM 266 CA ALA A 39 18.030 5.304 0.279 1.00 0.00 C ATOM 267 C ALA A 39 17.081 6.264 0.999 1.00 0.00 C ATOM 268 O ALA A 39 17.469 7.336 1.422 1.00 0.00 O ATOM 269 CB ALA A 39 19.292 5.111 1.120 1.00 0.00 C ATOM 0 HA ALA A 39 17.535 4.344 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 39 19.023 4.690 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 39 19.972 4.432 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.782 6.073 1.266 1.00 0.00 H new ATOM 275 N ALA A 40 15.836 5.892 1.138 1.00 0.00 N ATOM 276 CA ALA A 40 14.854 6.784 1.824 1.00 0.00 C ATOM 277 C ALA A 40 13.789 5.935 2.534 1.00 0.00 C ATOM 278 O ALA A 40 13.868 4.719 2.577 1.00 0.00 O ATOM 279 CB ALA A 40 14.197 7.700 0.781 1.00 0.00 C ATOM 0 H ALA A 40 15.455 5.006 0.805 1.00 0.00 H new ATOM 0 HA ALA A 40 15.365 7.394 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.478 8.355 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.962 8.303 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.683 7.093 0.036 1.00 0.00 H new ATOM 285 N VAL A 41 12.801 6.576 3.099 1.00 0.00 N ATOM 286 CA VAL A 41 11.722 5.833 3.815 1.00 0.00 C ATOM 287 C VAL A 41 10.783 5.200 2.786 1.00 0.00 C ATOM 288 O VAL A 41 10.532 5.755 1.735 1.00 0.00 O ATOM 289 CB VAL A 41 10.934 6.808 4.697 1.00 0.00 C ATOM 290 CG1 VAL A 41 9.784 6.079 5.398 1.00 0.00 C ATOM 291 CG2 VAL A 41 11.864 7.410 5.755 1.00 0.00 C ATOM 0 H VAL A 41 12.694 7.590 3.095 1.00 0.00 H new ATOM 0 HA VAL A 41 12.160 5.054 4.439 1.00 0.00 H new ATOM 0 HB VAL A 41 10.527 7.599 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.233 6.783 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.114 5.654 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.186 5.280 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.302 8.103 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.275 6.613 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.678 7.943 5.263 1.00 0.00 H new ATOM 301 N HIS A 42 10.271 4.037 3.077 1.00 0.00 N ATOM 302 CA HIS A 42 9.356 3.353 2.115 1.00 0.00 C ATOM 303 C HIS A 42 8.382 2.450 2.881 1.00 0.00 C ATOM 304 O HIS A 42 8.753 1.781 3.825 1.00 0.00 O ATOM 305 CB HIS A 42 10.194 2.478 1.171 1.00 0.00 C ATOM 306 CG HIS A 42 10.741 3.299 0.034 1.00 0.00 C ATOM 307 ND1 HIS A 42 11.745 4.232 -0.029 1.00 0.00 N flip ATOM 308 CD2 HIS A 42 10.251 3.184 -1.256 1.00 0.00 C flip ATOM 309 CE1 HIS A 42 11.879 4.690 -1.336 1.00 0.00 C flip ATOM 310 NE2 HIS A 42 10.955 4.025 -2.034 1.00 0.00 N flip ATOM 0 H HIS A 42 10.446 3.527 3.943 1.00 0.00 H new ATOM 0 HA HIS A 42 8.798 4.100 1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.014 2.020 1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.581 1.666 0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.449 2.536 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.579 5.425 -1.706 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.802 4.141 -3.036 1.00 0.00 H new ATOM 318 N ASN A 43 7.148 2.402 2.461 1.00 0.00 N ATOM 319 CA ASN A 43 6.166 1.515 3.140 1.00 0.00 C ATOM 320 C ASN A 43 6.352 0.096 2.603 1.00 0.00 C ATOM 321 O ASN A 43 5.829 -0.257 1.564 1.00 0.00 O ATOM 322 CB ASN A 43 4.749 1.996 2.831 1.00 0.00 C ATOM 323 CG ASN A 43 4.494 3.316 3.557 1.00 0.00 C ATOM 324 OD1 ASN A 43 5.288 3.736 4.374 1.00 0.00 O ATOM 325 ND2 ASN A 43 3.411 3.991 3.294 1.00 0.00 N ATOM 0 H ASN A 43 6.778 2.939 1.677 1.00 0.00 H new ATOM 0 HA ASN A 43 6.321 1.533 4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.624 2.129 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.022 1.248 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.230 4.872 3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.744 3.638 2.608 1.00 0.00 H new ATOM 332 N VAL A 44 7.108 -0.720 3.290 1.00 0.00 N ATOM 333 CA VAL A 44 7.342 -2.116 2.803 1.00 0.00 C ATOM 334 C VAL A 44 6.234 -3.041 3.361 1.00 0.00 C ATOM 335 O VAL A 44 6.048 -3.107 4.561 1.00 0.00 O ATOM 336 CB VAL A 44 8.737 -2.586 3.269 1.00 0.00 C ATOM 337 CG1 VAL A 44 8.714 -2.999 4.742 1.00 0.00 C ATOM 338 CG2 VAL A 44 9.190 -3.781 2.424 1.00 0.00 C ATOM 0 H VAL A 44 7.574 -0.483 4.166 1.00 0.00 H new ATOM 0 HA VAL A 44 7.308 -2.150 1.714 1.00 0.00 H new ATOM 0 HB VAL A 44 9.431 -1.755 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.709 -3.326 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.410 -2.149 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.006 -3.817 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.175 -4.109 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.478 -4.598 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.240 -3.487 1.376 1.00 0.00 H new ATOM 348 N PRO A 45 5.487 -3.747 2.522 1.00 0.00 N ATOM 349 CA PRO A 45 4.394 -4.650 3.007 1.00 0.00 C ATOM 350 C PRO A 45 4.829 -5.570 4.152 1.00 0.00 C ATOM 351 O PRO A 45 5.920 -6.102 4.161 1.00 0.00 O ATOM 352 CB PRO A 45 4.028 -5.481 1.770 1.00 0.00 C ATOM 353 CG PRO A 45 4.373 -4.613 0.605 1.00 0.00 C ATOM 354 CD PRO A 45 5.578 -3.771 1.039 1.00 0.00 C ATOM 0 HA PRO A 45 3.565 -4.073 3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.586 -6.417 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.970 -5.741 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.615 -5.215 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.532 -3.976 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.516 -4.214 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.533 -2.766 0.620 1.00 0.00 H new ATOM 362 N LEU A 46 3.968 -5.768 5.113 1.00 0.00 N ATOM 363 CA LEU A 46 4.314 -6.663 6.249 1.00 0.00 C ATOM 364 C LEU A 46 4.443 -8.097 5.740 1.00 0.00 C ATOM 365 O LEU A 46 5.176 -8.903 6.277 1.00 0.00 O ATOM 366 CB LEU A 46 3.192 -6.632 7.289 1.00 0.00 C ATOM 367 CG LEU A 46 3.013 -5.210 7.876 1.00 0.00 C ATOM 368 CD1 LEU A 46 1.540 -4.981 8.198 1.00 0.00 C ATOM 369 CD2 LEU A 46 3.829 -5.041 9.165 1.00 0.00 C ATOM 0 H LEU A 46 3.040 -5.347 5.159 1.00 0.00 H new ATOM 0 HA LEU A 46 5.251 -6.326 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.259 -6.960 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.417 -7.334 8.092 1.00 0.00 H new ATOM 0 HG LEU A 46 3.363 -4.488 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.409 -3.981 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.949 -5.077 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.207 -5.721 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.686 -4.034 9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.496 -5.769 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.886 -5.200 8.950 1.00 0.00 H new ATOM 381 N SER A 47 3.696 -8.420 4.728 1.00 0.00 N ATOM 382 CA SER A 47 3.710 -9.806 4.180 1.00 0.00 C ATOM 383 C SER A 47 5.088 -10.193 3.621 1.00 0.00 C ATOM 384 O SER A 47 5.422 -11.360 3.574 1.00 0.00 O ATOM 385 CB SER A 47 2.670 -9.901 3.063 1.00 0.00 C ATOM 386 OG SER A 47 2.818 -8.797 2.183 1.00 0.00 O ATOM 0 H SER A 47 3.067 -7.777 4.248 1.00 0.00 H new ATOM 0 HA SER A 47 3.478 -10.495 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.793 -10.835 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.666 -9.910 3.487 1.00 0.00 H new ATOM 0 HG SER A 47 2.153 -8.859 1.466 1.00 0.00 H new ATOM 392 N VAL A 48 5.882 -9.246 3.174 1.00 0.00 N ATOM 393 CA VAL A 48 7.223 -9.598 2.592 1.00 0.00 C ATOM 394 C VAL A 48 8.360 -9.276 3.573 1.00 0.00 C ATOM 395 O VAL A 48 9.491 -9.088 3.171 1.00 0.00 O ATOM 396 CB VAL A 48 7.435 -8.824 1.282 1.00 0.00 C ATOM 397 CG1 VAL A 48 6.202 -8.979 0.388 1.00 0.00 C ATOM 398 CG2 VAL A 48 7.678 -7.338 1.565 1.00 0.00 C ATOM 0 H VAL A 48 5.663 -8.250 3.186 1.00 0.00 H new ATOM 0 HA VAL A 48 7.238 -10.670 2.396 1.00 0.00 H new ATOM 0 HB VAL A 48 8.311 -9.231 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.355 -8.429 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.046 -10.034 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.327 -8.584 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.826 -6.808 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.816 -6.921 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.566 -7.227 2.188 1.00 0.00 H new ATOM 408 N LEU A 49 8.090 -9.235 4.854 1.00 0.00 N ATOM 409 CA LEU A 49 9.181 -8.954 5.833 1.00 0.00 C ATOM 410 C LEU A 49 9.799 -10.281 6.267 1.00 0.00 C ATOM 411 O LEU A 49 9.108 -11.256 6.491 1.00 0.00 O ATOM 412 CB LEU A 49 8.615 -8.245 7.070 1.00 0.00 C ATOM 413 CG LEU A 49 8.253 -6.784 6.755 1.00 0.00 C ATOM 414 CD1 LEU A 49 7.635 -6.158 8.010 1.00 0.00 C ATOM 415 CD2 LEU A 49 9.508 -5.984 6.348 1.00 0.00 C ATOM 0 H LEU A 49 7.167 -9.383 5.261 1.00 0.00 H new ATOM 0 HA LEU A 49 9.929 -8.314 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.730 -8.774 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.347 -8.275 7.877 1.00 0.00 H new ATOM 0 HG LEU A 49 7.548 -6.759 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.371 -5.120 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.739 -6.712 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.355 -6.196 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.228 -4.954 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.230 -5.999 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.955 -6.434 5.461 1.00 0.00 H new ATOM 427 N ILE A 50 11.098 -10.323 6.380 1.00 0.00 N ATOM 428 CA ILE A 50 11.794 -11.583 6.793 1.00 0.00 C ATOM 429 C ILE A 50 12.313 -11.445 8.225 1.00 0.00 C ATOM 430 O ILE A 50 13.063 -10.540 8.539 1.00 0.00 O ATOM 431 CB ILE A 50 12.972 -11.833 5.853 1.00 0.00 C ATOM 432 CG1 ILE A 50 12.471 -11.846 4.408 1.00 0.00 C ATOM 433 CG2 ILE A 50 13.608 -13.183 6.183 1.00 0.00 C ATOM 434 CD1 ILE A 50 13.661 -11.937 3.453 1.00 0.00 C ATOM 0 H ILE A 50 11.717 -9.532 6.203 1.00 0.00 H new ATOM 0 HA ILE A 50 11.093 -12.416 6.744 1.00 0.00 H new ATOM 0 HB ILE A 50 13.713 -11.043 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.801 -12.692 4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.896 -10.943 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.449 -13.363 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.961 -13.177 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.869 -13.974 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.302 -11.946 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.314 -11.077 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.217 -12.853 3.651 1.00 0.00 H new ATOM 446 N ARG A 51 11.920 -12.343 9.096 1.00 0.00 N ATOM 447 CA ARG A 51 12.382 -12.290 10.518 1.00 0.00 C ATOM 448 C ARG A 51 12.864 -13.683 10.958 1.00 0.00 C ATOM 449 O ARG A 51 12.074 -14.507 11.375 1.00 0.00 O ATOM 450 CB ARG A 51 11.196 -11.878 11.396 1.00 0.00 C ATOM 451 CG ARG A 51 10.959 -10.376 11.255 1.00 0.00 C ATOM 452 CD ARG A 51 9.810 -9.944 12.171 1.00 0.00 C ATOM 453 NE ARG A 51 9.854 -8.466 12.355 1.00 0.00 N ATOM 454 CZ ARG A 51 9.487 -7.677 11.383 1.00 0.00 C ATOM 455 NH1 ARG A 51 9.075 -8.182 10.252 1.00 0.00 N ATOM 456 NH2 ARG A 51 9.532 -6.383 11.541 1.00 0.00 N ATOM 0 H ARG A 51 11.293 -13.118 8.880 1.00 0.00 H new ATOM 0 HA ARG A 51 13.200 -11.576 10.615 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.302 -12.428 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.395 -12.130 12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.866 -9.830 11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.722 -10.131 10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.854 -10.240 11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.891 -10.444 13.136 1.00 0.00 H new ATOM 0 HE ARG A 51 10.171 -8.071 13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.040 -9.194 10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.788 -7.565 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.854 -5.988 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.245 -5.766 10.781 1.00 0.00 H new ATOM 470 N PRO A 52 14.150 -13.944 10.890 1.00 0.00 N ATOM 471 CA PRO A 52 14.739 -15.244 11.309 1.00 0.00 C ATOM 472 C PRO A 52 15.258 -15.213 12.752 1.00 0.00 C ATOM 473 O PRO A 52 16.122 -15.983 13.118 1.00 0.00 O ATOM 474 CB PRO A 52 15.912 -15.364 10.349 1.00 0.00 C ATOM 475 CG PRO A 52 16.440 -13.965 10.284 1.00 0.00 C ATOM 476 CD PRO A 52 15.205 -13.044 10.381 1.00 0.00 C ATOM 0 HA PRO A 52 14.021 -16.064 11.281 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.664 -16.062 10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.596 -15.722 9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.137 -13.772 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.983 -13.795 9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.380 -12.206 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.941 -12.622 9.411 1.00 0.00 H new ATOM 484 N LEU A 53 14.759 -14.315 13.567 1.00 0.00 N ATOM 485 CA LEU A 53 15.250 -14.216 14.980 1.00 0.00 C ATOM 486 C LEU A 53 14.041 -13.944 15.912 1.00 0.00 C ATOM 487 O LEU A 53 13.231 -13.085 15.626 1.00 0.00 O ATOM 488 CB LEU A 53 16.273 -13.047 15.050 1.00 0.00 C ATOM 489 CG LEU A 53 17.686 -13.560 15.395 1.00 0.00 C ATOM 490 CD1 LEU A 53 18.183 -14.541 14.312 1.00 0.00 C ATOM 491 CD2 LEU A 53 18.642 -12.362 15.486 1.00 0.00 C ATOM 0 H LEU A 53 14.032 -13.645 13.315 1.00 0.00 H new ATOM 0 HA LEU A 53 15.732 -15.140 15.298 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.297 -12.524 14.094 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.952 -12.325 15.801 1.00 0.00 H new ATOM 0 HG LEU A 53 17.655 -14.086 16.349 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.181 -14.893 14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.503 -15.391 14.251 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.216 -14.033 13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.644 -12.714 15.730 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.663 -11.840 14.529 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.298 -11.680 16.264 1.00 0.00 H new ATOM 503 N PRO A 54 13.909 -14.664 17.014 1.00 0.00 N ATOM 504 CA PRO A 54 12.768 -14.468 17.963 1.00 0.00 C ATOM 505 C PRO A 54 12.934 -13.204 18.820 1.00 0.00 C ATOM 506 O PRO A 54 13.992 -12.609 18.863 1.00 0.00 O ATOM 507 CB PRO A 54 12.813 -15.730 18.834 1.00 0.00 C ATOM 508 CG PRO A 54 14.256 -16.111 18.862 1.00 0.00 C ATOM 509 CD PRO A 54 14.816 -15.734 17.486 1.00 0.00 C ATOM 0 HA PRO A 54 11.819 -14.330 17.444 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.434 -15.534 19.837 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.200 -16.526 18.412 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.784 -15.584 19.657 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.375 -17.177 19.053 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.846 -15.383 17.556 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.815 -16.587 16.807 1.00 0.00 H new ATOM 517 N SER A 55 11.896 -12.794 19.504 1.00 0.00 N ATOM 518 CA SER A 55 11.995 -11.573 20.358 1.00 0.00 C ATOM 519 C SER A 55 11.011 -11.679 21.525 1.00 0.00 C ATOM 520 O SER A 55 10.079 -12.458 21.497 1.00 0.00 O ATOM 521 CB SER A 55 11.650 -10.337 19.527 1.00 0.00 C ATOM 522 OG SER A 55 12.723 -10.044 18.644 1.00 0.00 O ATOM 0 H SER A 55 10.985 -13.252 19.508 1.00 0.00 H new ATOM 0 HA SER A 55 13.012 -11.488 20.742 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.736 -10.511 18.960 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.462 -9.486 20.182 1.00 0.00 H new ATOM 0 HG SER A 55 13.384 -10.767 18.681 1.00 0.00 H new ATOM 528 N VAL A 56 11.211 -10.882 22.545 1.00 0.00 N ATOM 529 CA VAL A 56 10.294 -10.895 23.732 1.00 0.00 C ATOM 530 C VAL A 56 9.443 -9.621 23.705 1.00 0.00 C ATOM 531 O VAL A 56 9.961 -8.523 23.700 1.00 0.00 O ATOM 532 CB VAL A 56 11.126 -10.970 25.034 1.00 0.00 C ATOM 533 CG1 VAL A 56 11.649 -9.583 25.441 1.00 0.00 C ATOM 534 CG2 VAL A 56 10.256 -11.523 26.167 1.00 0.00 C ATOM 0 H VAL A 56 11.979 -10.214 22.609 1.00 0.00 H new ATOM 0 HA VAL A 56 9.640 -11.766 23.696 1.00 0.00 H new ATOM 0 HB VAL A 56 11.977 -11.626 24.853 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.230 -9.668 26.359 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.281 -9.185 24.647 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.807 -8.911 25.605 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.843 -11.576 27.084 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.399 -10.867 26.322 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.906 -12.521 25.903 1.00 0.00 H new ATOM 544 N LEU A 57 8.141 -9.760 23.668 1.00 0.00 N ATOM 545 CA LEU A 57 7.248 -8.558 23.617 1.00 0.00 C ATOM 546 C LEU A 57 6.582 -8.316 24.965 1.00 0.00 C ATOM 547 O LEU A 57 6.253 -9.230 25.695 1.00 0.00 O ATOM 548 CB LEU A 57 6.153 -8.769 22.579 1.00 0.00 C ATOM 549 CG LEU A 57 6.776 -9.098 21.219 1.00 0.00 C ATOM 550 CD1 LEU A 57 5.654 -9.341 20.204 1.00 0.00 C ATOM 551 CD2 LEU A 57 7.655 -7.926 20.754 1.00 0.00 C ATOM 0 H LEU A 57 7.655 -10.657 23.671 1.00 0.00 H new ATOM 0 HA LEU A 57 7.864 -7.698 23.355 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.495 -9.580 22.892 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.539 -7.872 22.499 1.00 0.00 H new ATOM 0 HG LEU A 57 7.395 -9.991 21.303 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.087 -9.576 19.232 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.036 -10.175 20.537 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.039 -8.445 20.120 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.096 -8.164 19.786 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.045 -7.027 20.664 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.448 -7.755 21.482 1.00 0.00 H new ATOM 563 N ASP A 58 6.369 -7.069 25.274 1.00 0.00 N ATOM 564 CA ASP A 58 5.704 -6.677 26.549 1.00 0.00 C ATOM 565 C ASP A 58 4.338 -6.050 26.200 1.00 0.00 C ATOM 566 O ASP A 58 4.232 -5.321 25.234 1.00 0.00 O ATOM 567 CB ASP A 58 6.590 -5.650 27.254 1.00 0.00 C ATOM 568 CG ASP A 58 5.831 -5.028 28.429 1.00 0.00 C ATOM 569 OD1 ASP A 58 5.072 -4.101 28.194 1.00 0.00 O ATOM 570 OD2 ASP A 58 6.021 -5.488 29.542 1.00 0.00 O ATOM 0 H ASP A 58 6.635 -6.283 24.680 1.00 0.00 H new ATOM 0 HA ASP A 58 5.556 -7.536 27.203 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.502 -6.128 27.611 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.891 -4.873 26.552 1.00 0.00 H new ATOM 575 N PRO A 59 3.293 -6.332 26.950 1.00 0.00 N ATOM 576 CA PRO A 59 1.934 -5.778 26.656 1.00 0.00 C ATOM 577 C PRO A 59 1.802 -4.289 27.014 1.00 0.00 C ATOM 578 O PRO A 59 0.946 -3.595 26.502 1.00 0.00 O ATOM 579 CB PRO A 59 1.006 -6.635 27.528 1.00 0.00 C ATOM 580 CG PRO A 59 1.850 -7.043 28.692 1.00 0.00 C ATOM 581 CD PRO A 59 3.276 -7.198 28.148 1.00 0.00 C ATOM 0 HA PRO A 59 1.702 -5.821 25.592 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.132 -6.069 27.851 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.639 -7.503 26.981 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.813 -6.293 29.482 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.493 -7.978 29.123 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.020 -6.883 28.880 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.497 -8.235 27.895 1.00 0.00 H new ATOM 589 N ALA A 60 2.628 -3.798 27.892 1.00 0.00 N ATOM 590 CA ALA A 60 2.531 -2.362 28.284 1.00 0.00 C ATOM 591 C ALA A 60 3.166 -1.470 27.210 1.00 0.00 C ATOM 592 O ALA A 60 2.658 -0.412 26.896 1.00 0.00 O ATOM 593 CB ALA A 60 3.259 -2.151 29.613 1.00 0.00 C ATOM 0 H ALA A 60 3.367 -4.326 28.356 1.00 0.00 H new ATOM 0 HA ALA A 60 1.480 -2.094 28.388 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.190 -1.103 29.903 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.799 -2.771 30.382 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.307 -2.429 29.502 1.00 0.00 H new ATOM 599 N LYS A 61 4.278 -1.873 26.658 1.00 0.00 N ATOM 600 CA LYS A 61 4.942 -1.030 25.626 1.00 0.00 C ATOM 601 C LYS A 61 4.181 -1.132 24.293 1.00 0.00 C ATOM 602 O LYS A 61 4.133 -0.189 23.529 1.00 0.00 O ATOM 603 CB LYS A 61 6.409 -1.501 25.462 1.00 0.00 C ATOM 604 CG LYS A 61 7.366 -0.305 25.501 1.00 0.00 C ATOM 605 CD LYS A 61 8.791 -0.769 25.178 1.00 0.00 C ATOM 606 CE LYS A 61 9.291 -1.731 26.263 1.00 0.00 C ATOM 607 NZ LYS A 61 10.781 -1.755 26.252 1.00 0.00 N ATOM 0 H LYS A 61 4.754 -2.748 26.877 1.00 0.00 H new ATOM 0 HA LYS A 61 4.935 0.015 25.937 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.662 -2.203 26.257 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.522 -2.034 24.518 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.048 0.450 24.782 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.340 0.161 26.486 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.809 -1.263 24.207 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.456 0.092 25.110 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.928 -1.414 27.241 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.898 -2.732 26.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.123 -2.407 26.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.116 -2.076 25.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.145 -0.799 26.440 1.00 0.00 H new ATOM 621 N VAL A 62 3.589 -2.260 24.004 1.00 0.00 N ATOM 622 CA VAL A 62 2.842 -2.393 22.719 1.00 0.00 C ATOM 623 C VAL A 62 1.577 -1.535 22.778 1.00 0.00 C ATOM 624 O VAL A 62 1.165 -0.955 21.794 1.00 0.00 O ATOM 625 CB VAL A 62 2.457 -3.859 22.490 1.00 0.00 C ATOM 626 CG1 VAL A 62 1.559 -3.962 21.255 1.00 0.00 C ATOM 627 CG2 VAL A 62 3.721 -4.695 22.270 1.00 0.00 C ATOM 0 H VAL A 62 3.590 -3.090 24.597 1.00 0.00 H new ATOM 0 HA VAL A 62 3.475 -2.057 21.897 1.00 0.00 H new ATOM 0 HB VAL A 62 1.923 -4.233 23.364 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.284 -5.004 21.091 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.658 -3.369 21.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.095 -3.586 20.383 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.445 -5.737 22.107 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.257 -4.321 21.397 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.362 -4.623 23.148 1.00 0.00 H new ATOM 637 N GLN A 63 0.959 -1.445 23.923 1.00 0.00 N ATOM 638 CA GLN A 63 -0.276 -0.617 24.036 1.00 0.00 C ATOM 639 C GLN A 63 0.098 0.856 23.841 1.00 0.00 C ATOM 640 O GLN A 63 -0.601 1.603 23.186 1.00 0.00 O ATOM 641 CB GLN A 63 -0.908 -0.822 25.426 1.00 0.00 C ATOM 642 CG GLN A 63 -1.850 -2.035 25.404 1.00 0.00 C ATOM 643 CD GLN A 63 -3.164 -1.652 24.718 1.00 0.00 C ATOM 644 OE1 GLN A 63 -3.249 -0.626 24.073 1.00 0.00 O ATOM 645 NE2 GLN A 63 -4.198 -2.439 24.831 1.00 0.00 N ATOM 0 H GLN A 63 1.254 -1.907 24.783 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.997 -0.914 23.275 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.126 -0.972 26.171 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.460 0.071 25.719 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.380 -2.864 24.875 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.045 -2.376 26.421 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.127 -3.300 25.373 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.078 -2.193 24.378 1.00 0.00 H new ATOM 654 N SER A 64 1.199 1.277 24.402 1.00 0.00 N ATOM 655 CA SER A 64 1.618 2.698 24.244 1.00 0.00 C ATOM 656 C SER A 64 1.876 2.988 22.764 1.00 0.00 C ATOM 657 O SER A 64 1.571 4.054 22.268 1.00 0.00 O ATOM 658 CB SER A 64 2.899 2.944 25.044 1.00 0.00 C ATOM 659 OG SER A 64 3.148 4.340 25.120 1.00 0.00 O ATOM 0 H SER A 64 1.825 0.699 24.962 1.00 0.00 H new ATOM 0 HA SER A 64 0.830 3.355 24.612 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.801 2.526 26.046 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.740 2.439 24.569 1.00 0.00 H new ATOM 0 HG SER A 64 3.967 4.499 25.634 1.00 0.00 H new ATOM 665 N LEU A 65 2.436 2.045 22.055 1.00 0.00 N ATOM 666 CA LEU A 65 2.714 2.258 20.613 1.00 0.00 C ATOM 667 C LEU A 65 1.405 2.134 19.828 1.00 0.00 C ATOM 668 O LEU A 65 1.083 2.966 19.004 1.00 0.00 O ATOM 669 CB LEU A 65 3.717 1.193 20.155 1.00 0.00 C ATOM 670 CG LEU A 65 5.156 1.637 20.502 1.00 0.00 C ATOM 671 CD1 LEU A 65 6.052 0.407 20.662 1.00 0.00 C ATOM 672 CD2 LEU A 65 5.718 2.524 19.383 1.00 0.00 C ATOM 0 H LEU A 65 2.713 1.133 22.418 1.00 0.00 H new ATOM 0 HA LEU A 65 3.132 3.250 20.440 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.495 0.241 20.638 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.626 1.034 19.080 1.00 0.00 H new ATOM 0 HG LEU A 65 5.133 2.201 21.435 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.066 0.725 20.907 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.666 -0.223 21.463 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.064 -0.158 19.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.732 2.832 19.637 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.732 1.965 18.448 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.089 3.407 19.268 1.00 0.00 H new ATOM 684 N VAL A 66 0.640 1.111 20.091 1.00 0.00 N ATOM 685 CA VAL A 66 -0.653 0.944 19.378 1.00 0.00 C ATOM 686 C VAL A 66 -1.476 2.222 19.578 1.00 0.00 C ATOM 687 O VAL A 66 -2.259 2.613 18.735 1.00 0.00 O ATOM 688 CB VAL A 66 -1.384 -0.271 19.974 1.00 0.00 C ATOM 689 CG1 VAL A 66 -2.875 -0.230 19.628 1.00 0.00 C ATOM 690 CG2 VAL A 66 -0.770 -1.558 19.416 1.00 0.00 C ATOM 0 H VAL A 66 0.857 0.383 20.771 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.501 0.777 18.312 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.276 -0.245 21.058 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.373 -1.099 20.059 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.318 0.680 20.033 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.998 -0.242 18.545 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.287 -2.420 19.837 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.871 -1.569 18.331 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.286 -1.602 19.682 1.00 0.00 H new ATOM 700 N ASP A 67 -1.289 2.874 20.691 1.00 0.00 N ATOM 701 CA ASP A 67 -2.039 4.134 20.967 1.00 0.00 C ATOM 702 C ASP A 67 -1.423 5.282 20.163 1.00 0.00 C ATOM 703 O ASP A 67 -2.114 6.140 19.652 1.00 0.00 O ATOM 704 CB ASP A 67 -1.948 4.460 22.463 1.00 0.00 C ATOM 705 CG ASP A 67 -3.072 5.426 22.852 1.00 0.00 C ATOM 706 OD1 ASP A 67 -2.864 6.623 22.738 1.00 0.00 O ATOM 707 OD2 ASP A 67 -4.120 4.951 23.258 1.00 0.00 O ATOM 0 H ASP A 67 -0.644 2.587 21.428 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.083 4.006 20.680 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.024 3.544 23.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.979 4.905 22.690 1.00 0.00 H new ATOM 712 N THR A 68 -0.124 5.308 20.063 1.00 0.00 N ATOM 713 CA THR A 68 0.552 6.401 19.310 1.00 0.00 C ATOM 714 C THR A 68 0.116 6.360 17.841 1.00 0.00 C ATOM 715 O THR A 68 -0.233 7.363 17.253 1.00 0.00 O ATOM 716 CB THR A 68 2.069 6.207 19.402 1.00 0.00 C ATOM 717 OG1 THR A 68 2.417 5.845 20.731 1.00 0.00 O ATOM 718 CG2 THR A 68 2.778 7.508 19.025 1.00 0.00 C ATOM 0 H THR A 68 0.502 4.615 20.473 1.00 0.00 H new ATOM 0 HA THR A 68 0.278 7.366 19.737 1.00 0.00 H new ATOM 0 HB THR A 68 2.376 5.418 18.716 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.139 4.921 20.902 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.857 7.367 19.091 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.510 7.786 18.006 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.473 8.300 19.709 1.00 0.00 H new ATOM 726 N ILE A 69 0.144 5.199 17.252 1.00 0.00 N ATOM 727 CA ILE A 69 -0.253 5.053 15.821 1.00 0.00 C ATOM 728 C ILE A 69 -1.741 5.392 15.650 1.00 0.00 C ATOM 729 O ILE A 69 -2.146 5.949 14.649 1.00 0.00 O ATOM 730 CB ILE A 69 0.018 3.599 15.401 1.00 0.00 C ATOM 731 CG1 ILE A 69 1.501 3.280 15.669 1.00 0.00 C ATOM 732 CG2 ILE A 69 -0.298 3.402 13.909 1.00 0.00 C ATOM 733 CD1 ILE A 69 1.907 1.970 14.983 1.00 0.00 C ATOM 0 H ILE A 69 0.429 4.331 17.706 1.00 0.00 H new ATOM 0 HA ILE A 69 0.321 5.736 15.195 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.620 2.928 15.976 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.125 4.096 15.304 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.673 3.203 16.743 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.101 2.367 13.629 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.347 3.634 13.726 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.329 4.065 13.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.958 1.764 15.185 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.296 1.153 15.368 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.756 2.060 13.907 1.00 0.00 H new ATOM 745 N ARG A 70 -2.559 5.044 16.604 1.00 0.00 N ATOM 746 CA ARG A 70 -4.023 5.329 16.482 1.00 0.00 C ATOM 747 C ARG A 70 -4.331 6.805 16.810 1.00 0.00 C ATOM 748 O ARG A 70 -5.154 7.426 16.167 1.00 0.00 O ATOM 749 CB ARG A 70 -4.800 4.401 17.453 1.00 0.00 C ATOM 750 CG ARG A 70 -5.365 3.188 16.702 1.00 0.00 C ATOM 751 CD ARG A 70 -6.214 2.339 17.655 1.00 0.00 C ATOM 752 NE ARG A 70 -7.519 3.023 17.913 1.00 0.00 N ATOM 753 CZ ARG A 70 -7.690 3.780 18.972 1.00 0.00 C ATOM 754 NH1 ARG A 70 -6.713 3.976 19.817 1.00 0.00 N ATOM 755 NH2 ARG A 70 -8.846 4.348 19.179 1.00 0.00 N ATOM 0 H ARG A 70 -2.280 4.574 17.465 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.334 5.141 15.454 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.139 4.066 18.252 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.612 4.955 17.923 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.970 3.520 15.859 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.551 2.589 16.294 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.388 1.354 17.222 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.681 2.186 18.593 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.289 2.899 17.255 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.805 3.539 19.657 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.858 4.566 20.636 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.611 4.203 18.520 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.985 4.937 20.000 1.00 0.00 H new ATOM 769 N GLU A 71 -3.716 7.358 17.822 1.00 0.00 N ATOM 770 CA GLU A 71 -4.022 8.776 18.204 1.00 0.00 C ATOM 771 C GLU A 71 -3.103 9.764 17.478 1.00 0.00 C ATOM 772 O GLU A 71 -3.500 10.867 17.157 1.00 0.00 O ATOM 773 CB GLU A 71 -3.826 8.938 19.712 1.00 0.00 C ATOM 774 CG GLU A 71 -4.393 10.286 20.155 1.00 0.00 C ATOM 775 CD GLU A 71 -4.107 10.496 21.644 1.00 0.00 C ATOM 776 OE1 GLU A 71 -2.944 10.471 22.012 1.00 0.00 O ATOM 777 OE2 GLU A 71 -5.055 10.678 22.389 1.00 0.00 O ATOM 0 H GLU A 71 -3.016 6.894 18.401 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.052 8.991 17.919 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.326 8.128 20.244 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.767 8.877 19.961 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.946 11.090 19.571 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.467 10.319 19.972 1.00 0.00 H new ATOM 784 N ASP A 72 -1.879 9.396 17.234 1.00 0.00 N ATOM 785 CA ASP A 72 -0.939 10.334 16.550 1.00 0.00 C ATOM 786 C ASP A 72 0.152 9.529 15.830 1.00 0.00 C ATOM 787 O ASP A 72 1.146 9.169 16.428 1.00 0.00 O ATOM 788 CB ASP A 72 -0.285 11.232 17.603 1.00 0.00 C ATOM 789 CG ASP A 72 0.415 12.404 16.913 1.00 0.00 C ATOM 790 OD1 ASP A 72 -0.275 13.319 16.496 1.00 0.00 O ATOM 791 OD2 ASP A 72 1.630 12.366 16.814 1.00 0.00 O ATOM 0 H ASP A 72 -1.485 8.487 17.477 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.484 10.940 15.825 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.038 11.603 18.298 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.434 10.659 18.188 1.00 0.00 H new ATOM 796 N PRO A 73 -0.026 9.226 14.564 1.00 0.00 N ATOM 797 CA PRO A 73 0.970 8.430 13.793 1.00 0.00 C ATOM 798 C PRO A 73 2.118 9.279 13.225 1.00 0.00 C ATOM 799 O PRO A 73 2.927 8.800 12.455 1.00 0.00 O ATOM 800 CB PRO A 73 0.118 7.845 12.672 1.00 0.00 C ATOM 801 CG PRO A 73 -0.876 8.917 12.372 1.00 0.00 C ATOM 802 CD PRO A 73 -1.186 9.591 13.717 1.00 0.00 C ATOM 0 HA PRO A 73 1.476 7.689 14.412 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.721 7.605 11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.372 6.923 12.984 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.472 9.636 11.659 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.779 8.499 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.281 10.672 13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.122 9.228 14.141 1.00 0.00 H new ATOM 810 N ASP A 74 2.200 10.528 13.595 1.00 0.00 N ATOM 811 CA ASP A 74 3.302 11.393 13.070 1.00 0.00 C ATOM 812 C ASP A 74 4.539 11.261 13.967 1.00 0.00 C ATOM 813 O ASP A 74 5.646 11.105 13.492 1.00 0.00 O ATOM 814 CB ASP A 74 2.841 12.852 13.050 1.00 0.00 C ATOM 815 CG ASP A 74 2.323 13.246 14.434 1.00 0.00 C ATOM 816 OD1 ASP A 74 3.140 13.419 15.324 1.00 0.00 O ATOM 817 OD2 ASP A 74 1.118 13.369 14.580 1.00 0.00 O ATOM 0 H ASP A 74 1.555 10.989 14.237 1.00 0.00 H new ATOM 0 HA ASP A 74 3.556 11.076 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.668 13.501 12.762 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.056 12.986 12.305 1.00 0.00 H new ATOM 822 N SER A 75 4.360 11.326 15.258 1.00 0.00 N ATOM 823 CA SER A 75 5.522 11.209 16.187 1.00 0.00 C ATOM 824 C SER A 75 6.028 9.759 16.207 1.00 0.00 C ATOM 825 O SER A 75 6.575 9.307 17.194 1.00 0.00 O ATOM 826 CB SER A 75 5.080 11.605 17.597 1.00 0.00 C ATOM 827 OG SER A 75 4.332 12.810 17.537 1.00 0.00 O ATOM 0 H SER A 75 3.456 11.456 15.712 1.00 0.00 H new ATOM 0 HA SER A 75 6.322 11.867 15.848 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.476 10.811 18.037 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.951 11.736 18.239 1.00 0.00 H new ATOM 0 HG SER A 75 3.440 12.624 17.176 1.00 0.00 H new ATOM 833 N VAL A 76 5.848 9.024 15.128 1.00 0.00 N ATOM 834 CA VAL A 76 6.312 7.598 15.080 1.00 0.00 C ATOM 835 C VAL A 76 7.328 7.447 13.924 1.00 0.00 C ATOM 836 O VAL A 76 6.941 7.416 12.773 1.00 0.00 O ATOM 837 CB VAL A 76 5.090 6.696 14.819 1.00 0.00 C ATOM 838 CG1 VAL A 76 5.367 5.264 15.303 1.00 0.00 C ATOM 839 CG2 VAL A 76 3.883 7.258 15.574 1.00 0.00 C ATOM 0 H VAL A 76 5.397 9.355 14.275 1.00 0.00 H new ATOM 0 HA VAL A 76 6.785 7.314 16.020 1.00 0.00 H new ATOM 0 HB VAL A 76 4.888 6.673 13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.494 4.640 15.111 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.227 4.859 14.769 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.577 5.276 16.373 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.014 6.625 15.394 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.100 7.281 16.642 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.674 8.269 15.224 1.00 0.00 H new ATOM 849 N PRO A 77 8.615 7.378 14.207 1.00 0.00 N ATOM 850 CA PRO A 77 9.654 7.259 13.140 1.00 0.00 C ATOM 851 C PRO A 77 9.761 5.837 12.560 1.00 0.00 C ATOM 852 O PRO A 77 9.293 4.885 13.150 1.00 0.00 O ATOM 853 CB PRO A 77 10.955 7.669 13.848 1.00 0.00 C ATOM 854 CG PRO A 77 10.737 7.375 15.305 1.00 0.00 C ATOM 855 CD PRO A 77 9.219 7.406 15.555 1.00 0.00 C ATOM 0 HA PRO A 77 9.416 7.882 12.278 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.805 7.109 13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.170 8.726 13.690 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.150 6.401 15.567 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.244 8.113 15.926 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.898 6.551 16.150 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.926 8.303 16.101 1.00 0.00 H new ATOM 863 N PRO A 78 10.382 5.702 11.407 1.00 0.00 N ATOM 864 CA PRO A 78 10.565 4.379 10.733 1.00 0.00 C ATOM 865 C PRO A 78 11.677 3.549 11.380 1.00 0.00 C ATOM 866 O PRO A 78 12.412 4.026 12.222 1.00 0.00 O ATOM 867 CB PRO A 78 10.945 4.761 9.298 1.00 0.00 C ATOM 868 CG PRO A 78 11.641 6.078 9.431 1.00 0.00 C ATOM 869 CD PRO A 78 10.977 6.799 10.611 1.00 0.00 C ATOM 0 HA PRO A 78 9.671 3.759 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.596 4.012 8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.063 4.841 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.707 5.938 9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.546 6.662 8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.703 7.367 11.193 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.218 7.505 10.273 1.00 0.00 H new ATOM 877 N ILE A 79 11.801 2.308 10.985 1.00 0.00 N ATOM 878 CA ILE A 79 12.864 1.420 11.560 1.00 0.00 C ATOM 879 C ILE A 79 13.942 1.167 10.504 1.00 0.00 C ATOM 880 O ILE A 79 13.763 1.450 9.339 1.00 0.00 O ATOM 881 CB ILE A 79 12.240 0.083 11.970 1.00 0.00 C ATOM 882 CG1 ILE A 79 11.283 -0.389 10.870 1.00 0.00 C ATOM 883 CG2 ILE A 79 11.468 0.252 13.282 1.00 0.00 C ATOM 884 CD1 ILE A 79 10.979 -1.873 11.062 1.00 0.00 C ATOM 0 H ILE A 79 11.208 1.865 10.283 1.00 0.00 H new ATOM 0 HA ILE A 79 13.309 1.902 12.431 1.00 0.00 H new ATOM 0 HB ILE A 79 13.029 -0.656 12.111 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.360 0.190 10.903 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.728 -0.222 9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.026 -0.702 13.569 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.149 0.587 14.064 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.679 0.992 13.147 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.298 -2.209 10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.906 -2.444 11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.516 -2.026 12.037 1.00 0.00 H new ATOM 896 N ASP A 80 15.064 0.632 10.908 1.00 0.00 N ATOM 897 CA ASP A 80 16.158 0.353 9.943 1.00 0.00 C ATOM 898 C ASP A 80 15.989 -1.064 9.384 1.00 0.00 C ATOM 899 O ASP A 80 15.788 -2.010 10.120 1.00 0.00 O ATOM 900 CB ASP A 80 17.489 0.460 10.685 1.00 0.00 C ATOM 901 CG ASP A 80 17.357 -0.191 12.063 1.00 0.00 C ATOM 902 OD1 ASP A 80 16.716 0.400 12.916 1.00 0.00 O ATOM 903 OD2 ASP A 80 17.899 -1.269 12.242 1.00 0.00 O ATOM 0 H ASP A 80 15.267 0.376 11.874 1.00 0.00 H new ATOM 0 HA ASP A 80 16.132 1.066 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.277 -0.030 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.776 1.506 10.791 1.00 0.00 H new ATOM 908 N VAL A 81 16.065 -1.213 8.087 1.00 0.00 N ATOM 909 CA VAL A 81 15.905 -2.563 7.458 1.00 0.00 C ATOM 910 C VAL A 81 16.984 -2.744 6.384 1.00 0.00 C ATOM 911 O VAL A 81 17.327 -1.822 5.671 1.00 0.00 O ATOM 912 CB VAL A 81 14.497 -2.651 6.841 1.00 0.00 C ATOM 913 CG1 VAL A 81 14.407 -3.802 5.833 1.00 0.00 C ATOM 914 CG2 VAL A 81 13.479 -2.889 7.959 1.00 0.00 C ATOM 0 H VAL A 81 16.232 -0.452 7.429 1.00 0.00 H new ATOM 0 HA VAL A 81 16.018 -3.354 8.200 1.00 0.00 H new ATOM 0 HB VAL A 81 14.287 -1.717 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.402 -3.840 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.129 -3.642 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.626 -4.744 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.478 -2.953 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.714 -3.821 8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.519 -2.063 8.669 1.00 0.00 H new ATOM 924 N LEU A 82 17.524 -3.931 6.269 1.00 0.00 N ATOM 925 CA LEU A 82 18.585 -4.183 5.247 1.00 0.00 C ATOM 926 C LEU A 82 17.921 -4.623 3.933 1.00 0.00 C ATOM 927 O LEU A 82 16.944 -5.345 3.929 1.00 0.00 O ATOM 928 CB LEU A 82 19.536 -5.291 5.757 1.00 0.00 C ATOM 929 CG LEU A 82 20.745 -4.684 6.510 1.00 0.00 C ATOM 930 CD1 LEU A 82 20.353 -4.306 7.944 1.00 0.00 C ATOM 931 CD2 LEU A 82 21.873 -5.711 6.555 1.00 0.00 C ATOM 0 H LEU A 82 17.275 -4.738 6.840 1.00 0.00 H new ATOM 0 HA LEU A 82 19.160 -3.273 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.992 -5.965 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 82 19.889 -5.887 4.916 1.00 0.00 H new ATOM 0 HG LEU A 82 21.071 -3.786 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.216 -3.881 8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.548 -3.572 7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.017 -5.196 8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.728 -5.290 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 82 21.530 -6.606 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 82 22.168 -5.972 5.539 1.00 0.00 H new ATOM 943 N TRP A 83 18.450 -4.175 2.822 1.00 0.00 N ATOM 944 CA TRP A 83 17.878 -4.529 1.486 1.00 0.00 C ATOM 945 C TRP A 83 18.962 -5.234 0.662 1.00 0.00 C ATOM 946 O TRP A 83 19.967 -4.645 0.318 1.00 0.00 O ATOM 947 CB TRP A 83 17.463 -3.220 0.817 1.00 0.00 C ATOM 948 CG TRP A 83 17.021 -3.415 -0.602 1.00 0.00 C ATOM 949 CD1 TRP A 83 16.544 -4.561 -1.156 1.00 0.00 C ATOM 950 CD2 TRP A 83 16.999 -2.414 -1.656 1.00 0.00 C ATOM 951 NE1 TRP A 83 16.233 -4.315 -2.486 1.00 0.00 N ATOM 952 CE2 TRP A 83 16.500 -3.005 -2.839 1.00 0.00 C ATOM 953 CE3 TRP A 83 17.366 -1.058 -1.692 1.00 0.00 C ATOM 954 CZ2 TRP A 83 16.369 -2.269 -4.020 1.00 0.00 C ATOM 955 CZ3 TRP A 83 17.238 -0.318 -2.877 1.00 0.00 C ATOM 956 CH2 TRP A 83 16.740 -0.922 -4.038 1.00 0.00 C ATOM 0 H TRP A 83 19.269 -3.568 2.784 1.00 0.00 H new ATOM 0 HA TRP A 83 17.019 -5.195 1.572 1.00 0.00 H new ATOM 0 HB2 TRP A 83 16.653 -2.765 1.387 1.00 0.00 H new ATOM 0 HB3 TRP A 83 18.300 -2.522 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.427 -5.506 -0.646 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.854 -5.014 -3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 83 17.749 -0.582 -0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.983 -2.738 -4.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.525 0.723 -2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.643 -0.347 -4.947 1.00 0.00 H new ATOM 967 N ILE A 84 18.778 -6.500 0.368 1.00 0.00 N ATOM 968 CA ILE A 84 19.810 -7.263 -0.408 1.00 0.00 C ATOM 969 C ILE A 84 19.138 -8.070 -1.522 1.00 0.00 C ATOM 970 O ILE A 84 18.006 -8.494 -1.401 1.00 0.00 O ATOM 971 CB ILE A 84 20.539 -8.204 0.554 1.00 0.00 C ATOM 972 CG1 ILE A 84 21.048 -7.386 1.742 1.00 0.00 C ATOM 973 CG2 ILE A 84 21.724 -8.868 -0.154 1.00 0.00 C ATOM 974 CD1 ILE A 84 21.909 -8.266 2.647 1.00 0.00 C ATOM 0 H ILE A 84 17.954 -7.040 0.633 1.00 0.00 H new ATOM 0 HA ILE A 84 20.519 -6.573 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 84 19.855 -8.981 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 84 21.630 -6.535 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.206 -6.984 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 84 22.235 -9.535 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 84 21.363 -9.441 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 84 22.418 -8.101 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.269 -7.678 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 84 21.314 -9.102 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 84 22.760 -8.647 2.082 1.00 0.00 H new ATOM 986 N LYS A 85 19.833 -8.267 -2.617 1.00 0.00 N ATOM 987 CA LYS A 85 19.260 -9.027 -3.773 1.00 0.00 C ATOM 988 C LYS A 85 19.922 -10.400 -3.896 1.00 0.00 C ATOM 989 O LYS A 85 21.022 -10.625 -3.430 1.00 0.00 O ATOM 990 CB LYS A 85 19.508 -8.230 -5.061 1.00 0.00 C ATOM 991 CG LYS A 85 18.431 -7.166 -5.218 1.00 0.00 C ATOM 992 CD LYS A 85 18.771 -6.252 -6.397 1.00 0.00 C ATOM 993 CE LYS A 85 17.518 -5.495 -6.836 1.00 0.00 C ATOM 994 NZ LYS A 85 16.727 -5.126 -5.632 1.00 0.00 N ATOM 0 H LYS A 85 20.785 -7.929 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 85 18.191 -9.168 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.492 -7.763 -5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.501 -8.899 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.462 -7.638 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.351 -6.579 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.552 -5.548 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.161 -6.841 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.795 -4.600 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.919 -6.114 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.785 -4.796 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.627 -5.957 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.215 -4.367 -5.115 1.00 0.00 H new ATOM 1008 N GLY A 86 19.243 -11.315 -4.534 1.00 0.00 N ATOM 1009 CA GLY A 86 19.791 -12.688 -4.721 1.00 0.00 C ATOM 1010 C GLY A 86 20.464 -12.793 -6.092 1.00 0.00 C ATOM 1011 O GLY A 86 20.611 -11.821 -6.807 1.00 0.00 O ATOM 0 H GLY A 86 18.319 -11.166 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.511 -12.913 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.991 -13.423 -4.641 1.00 0.00 H new ATOM 1015 N ALA A 87 20.880 -13.972 -6.449 1.00 0.00 N ATOM 1016 CA ALA A 87 21.560 -14.186 -7.758 1.00 0.00 C ATOM 1017 C ALA A 87 20.586 -13.964 -8.924 1.00 0.00 C ATOM 1018 O ALA A 87 20.975 -14.032 -10.073 1.00 0.00 O ATOM 1019 CB ALA A 87 22.086 -15.624 -7.812 1.00 0.00 C ATOM 0 H ALA A 87 20.777 -14.813 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 87 22.379 -13.473 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 87 22.586 -15.793 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.793 -15.783 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.253 -16.320 -7.711 1.00 0.00 H new ATOM 1025 N GLN A 88 19.325 -13.722 -8.646 1.00 0.00 N ATOM 1026 CA GLN A 88 18.324 -13.524 -9.750 1.00 0.00 C ATOM 1027 C GLN A 88 17.520 -12.235 -9.530 1.00 0.00 C ATOM 1028 O GLN A 88 16.405 -12.107 -9.994 1.00 0.00 O ATOM 1029 CB GLN A 88 17.374 -14.725 -9.778 1.00 0.00 C ATOM 1030 CG GLN A 88 18.185 -16.019 -9.622 1.00 0.00 C ATOM 1031 CD GLN A 88 17.353 -17.214 -10.092 1.00 0.00 C ATOM 1032 OE1 GLN A 88 16.166 -17.091 -10.320 1.00 0.00 O ATOM 1033 NE2 GLN A 88 17.931 -18.375 -10.246 1.00 0.00 N ATOM 0 H GLN A 88 18.944 -13.653 -7.702 1.00 0.00 H new ATOM 0 HA GLN A 88 18.852 -13.440 -10.700 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.642 -14.642 -8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.818 -14.742 -10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.105 -15.954 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.475 -16.154 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.928 -18.478 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.386 -19.179 -10.558 1.00 0.00 H new ATOM 1042 N GLY A 89 18.081 -11.270 -8.853 1.00 0.00 N ATOM 1043 CA GLY A 89 17.350 -9.984 -8.640 1.00 0.00 C ATOM 1044 C GLY A 89 16.322 -10.119 -7.510 1.00 0.00 C ATOM 1045 O GLY A 89 15.814 -9.136 -7.008 1.00 0.00 O ATOM 0 H GLY A 89 19.012 -11.314 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.060 -9.193 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.847 -9.690 -9.561 1.00 0.00 H new ATOM 1049 N GLY A 90 16.003 -11.317 -7.109 1.00 0.00 N ATOM 1050 CA GLY A 90 15.004 -11.497 -6.023 1.00 0.00 C ATOM 1051 C GLY A 90 15.347 -10.582 -4.850 1.00 0.00 C ATOM 1052 O GLY A 90 16.313 -10.785 -4.144 1.00 0.00 O ATOM 0 H GLY A 90 16.392 -12.180 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.005 -11.269 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.993 -12.536 -5.695 1.00 0.00 H new ATOM 1056 N ASP A 91 14.555 -9.575 -4.642 1.00 0.00 N ATOM 1057 CA ASP A 91 14.811 -8.639 -3.518 1.00 0.00 C ATOM 1058 C ASP A 91 14.363 -9.294 -2.210 1.00 0.00 C ATOM 1059 O ASP A 91 13.298 -9.873 -2.130 1.00 0.00 O ATOM 1060 CB ASP A 91 14.017 -7.352 -3.737 1.00 0.00 C ATOM 1061 CG ASP A 91 14.595 -6.581 -4.924 1.00 0.00 C ATOM 1062 OD1 ASP A 91 15.201 -7.209 -5.776 1.00 0.00 O ATOM 1063 OD2 ASP A 91 14.418 -5.374 -4.962 1.00 0.00 O ATOM 0 H ASP A 91 13.734 -9.357 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 91 15.875 -8.406 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.969 -7.588 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.052 -6.735 -2.839 1.00 0.00 H new ATOM 1068 N TYR A 92 15.172 -9.205 -1.187 1.00 0.00 N ATOM 1069 CA TYR A 92 14.815 -9.818 0.134 1.00 0.00 C ATOM 1070 C TYR A 92 15.005 -8.771 1.236 1.00 0.00 C ATOM 1071 O TYR A 92 16.066 -8.195 1.378 1.00 0.00 O ATOM 1072 CB TYR A 92 15.732 -11.018 0.389 1.00 0.00 C ATOM 1073 CG TYR A 92 15.513 -12.056 -0.692 1.00 0.00 C ATOM 1074 CD1 TYR A 92 14.486 -13.001 -0.562 1.00 0.00 C ATOM 1075 CD2 TYR A 92 16.335 -12.073 -1.825 1.00 0.00 C ATOM 1076 CE1 TYR A 92 14.284 -13.959 -1.562 1.00 0.00 C ATOM 1077 CE2 TYR A 92 16.132 -13.031 -2.823 1.00 0.00 C ATOM 1078 CZ TYR A 92 15.108 -13.974 -2.693 1.00 0.00 C ATOM 1079 OH TYR A 92 14.909 -14.919 -3.679 1.00 0.00 O ATOM 0 H TYR A 92 16.074 -8.730 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 92 13.777 -10.152 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.774 -10.699 0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.523 -11.448 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.850 -12.990 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 92 17.127 -11.346 -1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.492 -14.687 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.768 -13.043 -3.696 1.00 0.00 H new ATOM 0 HH TYR A 92 15.596 -14.819 -4.371 1.00 0.00 H new ATOM 1089 N PHE A 93 13.978 -8.506 2.011 1.00 0.00 N ATOM 1090 CA PHE A 93 14.083 -7.483 3.094 1.00 0.00 C ATOM 1091 C PHE A 93 14.280 -8.170 4.448 1.00 0.00 C ATOM 1092 O PHE A 93 13.481 -8.983 4.869 1.00 0.00 O ATOM 1093 CB PHE A 93 12.795 -6.650 3.124 1.00 0.00 C ATOM 1094 CG PHE A 93 12.533 -6.053 1.755 1.00 0.00 C ATOM 1095 CD1 PHE A 93 13.275 -4.948 1.313 1.00 0.00 C ATOM 1096 CD2 PHE A 93 11.550 -6.610 0.924 1.00 0.00 C ATOM 1097 CE1 PHE A 93 13.036 -4.407 0.045 1.00 0.00 C ATOM 1098 CE2 PHE A 93 11.312 -6.064 -0.343 1.00 0.00 C ATOM 1099 CZ PHE A 93 12.055 -4.964 -0.783 1.00 0.00 C ATOM 0 H PHE A 93 13.067 -8.959 1.936 1.00 0.00 H new ATOM 0 HA PHE A 93 14.938 -6.836 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.954 -7.275 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.883 -5.856 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.031 -4.515 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.976 -7.461 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.610 -3.558 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.554 -6.493 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.872 -4.545 -1.761 1.00 0.00 H new ATOM 1109 N TYR A 94 15.348 -7.836 5.128 1.00 0.00 N ATOM 1110 CA TYR A 94 15.643 -8.440 6.465 1.00 0.00 C ATOM 1111 C TYR A 94 15.545 -7.360 7.540 1.00 0.00 C ATOM 1112 O TYR A 94 16.108 -6.291 7.411 1.00 0.00 O ATOM 1113 CB TYR A 94 17.072 -9.010 6.459 1.00 0.00 C ATOM 1114 CG TYR A 94 17.051 -10.428 5.958 1.00 0.00 C ATOM 1115 CD1 TYR A 94 17.155 -10.681 4.589 1.00 0.00 C ATOM 1116 CD2 TYR A 94 16.916 -11.486 6.864 1.00 0.00 C ATOM 1117 CE1 TYR A 94 17.127 -11.995 4.118 1.00 0.00 C ATOM 1118 CE2 TYR A 94 16.887 -12.804 6.390 1.00 0.00 C ATOM 1119 CZ TYR A 94 16.992 -13.058 5.017 1.00 0.00 C ATOM 1120 OH TYR A 94 16.963 -14.356 4.552 1.00 0.00 O ATOM 0 H TYR A 94 16.040 -7.159 4.808 1.00 0.00 H new ATOM 0 HA TYR A 94 14.926 -9.235 6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.714 -8.400 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.492 -8.976 7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.257 -9.860 3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.835 -11.288 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.210 -12.191 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.784 -13.625 7.084 1.00 0.00 H new ATOM 0 HH TYR A 94 16.866 -14.972 5.308 1.00 0.00 H new ATOM 1130 N SER A 95 14.855 -7.649 8.611 1.00 0.00 N ATOM 1131 CA SER A 95 14.726 -6.667 9.729 1.00 0.00 C ATOM 1132 C SER A 95 15.334 -7.289 10.987 1.00 0.00 C ATOM 1133 O SER A 95 15.091 -8.438 11.299 1.00 0.00 O ATOM 1134 CB SER A 95 13.240 -6.344 9.962 1.00 0.00 C ATOM 1135 OG SER A 95 13.111 -4.997 10.389 1.00 0.00 O ATOM 0 H SER A 95 14.370 -8.533 8.761 1.00 0.00 H new ATOM 0 HA SER A 95 15.248 -5.742 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.674 -6.502 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.824 -7.016 10.712 1.00 0.00 H new ATOM 0 HG SER A 95 12.165 -4.790 10.536 1.00 0.00 H new ATOM 1141 N PHE A 96 16.097 -6.531 11.724 1.00 0.00 N ATOM 1142 CA PHE A 96 16.701 -7.049 12.979 1.00 0.00 C ATOM 1143 C PHE A 96 16.498 -5.979 14.050 1.00 0.00 C ATOM 1144 O PHE A 96 17.309 -5.089 14.215 1.00 0.00 O ATOM 1145 CB PHE A 96 18.200 -7.272 12.807 1.00 0.00 C ATOM 1146 CG PHE A 96 18.494 -8.125 11.586 1.00 0.00 C ATOM 1147 CD1 PHE A 96 18.097 -9.472 11.541 1.00 0.00 C ATOM 1148 CD2 PHE A 96 19.198 -7.573 10.506 1.00 0.00 C ATOM 1149 CE1 PHE A 96 18.403 -10.253 10.422 1.00 0.00 C ATOM 1150 CE2 PHE A 96 19.505 -8.360 9.392 1.00 0.00 C ATOM 1151 CZ PHE A 96 19.108 -9.700 9.351 1.00 0.00 C ATOM 0 H PHE A 96 16.330 -5.562 11.505 1.00 0.00 H new ATOM 0 HA PHE A 96 16.235 -7.997 13.248 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.704 -6.310 12.712 1.00 0.00 H new ATOM 0 HB3 PHE A 96 18.602 -7.756 13.697 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.556 -9.904 12.370 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.504 -6.538 10.535 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.093 -11.287 10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.049 -7.933 8.563 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.347 -10.308 8.491 1.00 0.00 H new ATOM 1161 N GLY A 97 15.417 -6.057 14.762 1.00 0.00 N ATOM 1162 CA GLY A 97 15.113 -5.051 15.825 1.00 0.00 C ATOM 1163 C GLY A 97 13.678 -4.556 15.625 1.00 0.00 C ATOM 1164 O GLY A 97 12.872 -5.206 14.989 1.00 0.00 O ATOM 0 H GLY A 97 14.713 -6.787 14.655 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.226 -5.497 16.813 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.813 -4.217 15.770 1.00 0.00 H new ATOM 1168 N GLY A 98 13.356 -3.404 16.143 1.00 0.00 N ATOM 1169 CA GLY A 98 11.977 -2.860 15.963 1.00 0.00 C ATOM 1170 C GLY A 98 10.931 -3.954 16.226 1.00 0.00 C ATOM 1171 O GLY A 98 9.826 -3.896 15.723 1.00 0.00 O ATOM 0 H GLY A 98 13.987 -2.813 16.684 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.817 -2.024 16.644 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.861 -2.473 14.951 1.00 0.00 H new ATOM 1175 N CYS A 99 11.265 -4.954 16.999 1.00 0.00 N ATOM 1176 CA CYS A 99 10.287 -6.043 17.276 1.00 0.00 C ATOM 1177 C CYS A 99 8.999 -5.455 17.866 1.00 0.00 C ATOM 1178 O CYS A 99 7.909 -5.747 17.416 1.00 0.00 O ATOM 1179 CB CYS A 99 10.907 -7.030 18.269 1.00 0.00 C ATOM 1180 SG CYS A 99 12.652 -7.279 17.858 1.00 0.00 S ATOM 0 H CYS A 99 12.174 -5.062 17.450 1.00 0.00 H new ATOM 0 HA CYS A 99 10.044 -6.558 16.347 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.812 -6.648 19.286 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.375 -7.980 18.235 1.00 0.00 H new ATOM 0 HG CYS A 99 13.006 -8.487 18.182 1.00 0.00 H new ATOM 1186 N HIS A 100 9.113 -4.638 18.874 1.00 0.00 N ATOM 1187 CA HIS A 100 7.894 -4.043 19.493 1.00 0.00 C ATOM 1188 C HIS A 100 7.171 -3.156 18.474 1.00 0.00 C ATOM 1189 O HIS A 100 5.994 -3.323 18.224 1.00 0.00 O ATOM 1190 CB HIS A 100 8.301 -3.211 20.717 1.00 0.00 C ATOM 1191 CG HIS A 100 8.548 -4.122 21.890 1.00 0.00 C ATOM 1192 ND1 HIS A 100 9.724 -4.840 22.038 1.00 0.00 N ATOM 1193 CD2 HIS A 100 7.772 -4.446 22.974 1.00 0.00 C ATOM 1194 CE1 HIS A 100 9.622 -5.554 23.174 1.00 0.00 C ATOM 1195 NE2 HIS A 100 8.452 -5.350 23.784 1.00 0.00 N ATOM 0 H HIS A 100 9.997 -4.355 19.297 1.00 0.00 H new ATOM 0 HA HIS A 100 7.219 -4.840 19.805 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.200 -2.636 20.495 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.516 -2.495 20.959 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.521 -4.829 21.402 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.783 -4.058 23.169 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.393 -6.212 23.547 1.00 0.00 H new ATOM 1203 N ARG A 101 7.855 -2.214 17.884 1.00 0.00 N ATOM 1204 CA ARG A 101 7.182 -1.332 16.889 1.00 0.00 C ATOM 1205 C ARG A 101 6.503 -2.200 15.825 1.00 0.00 C ATOM 1206 O ARG A 101 5.473 -1.847 15.287 1.00 0.00 O ATOM 1207 CB ARG A 101 8.217 -0.393 16.248 1.00 0.00 C ATOM 1208 CG ARG A 101 8.536 0.752 17.223 1.00 0.00 C ATOM 1209 CD ARG A 101 9.892 1.378 16.884 1.00 0.00 C ATOM 1210 NE ARG A 101 9.864 1.931 15.503 1.00 0.00 N ATOM 1211 CZ ARG A 101 10.839 2.694 15.092 1.00 0.00 C ATOM 1212 NH1 ARG A 101 11.830 2.973 15.894 1.00 0.00 N ATOM 1213 NH2 ARG A 101 10.824 3.178 13.883 1.00 0.00 N ATOM 0 H ARG A 101 8.843 -2.018 18.046 1.00 0.00 H new ATOM 0 HA ARG A 101 6.424 -0.723 17.382 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.126 -0.945 16.007 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.830 0.009 15.311 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.755 1.510 17.172 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.548 0.375 18.246 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.126 2.169 17.597 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.679 0.629 16.969 1.00 0.00 H new ATOM 0 HE ARG A 101 9.086 1.714 14.880 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.842 2.595 16.841 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.593 3.569 15.574 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.049 2.961 13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.587 3.774 13.563 1.00 0.00 H new ATOM 1227 N TYR A 102 7.061 -3.344 15.532 1.00 0.00 N ATOM 1228 CA TYR A 102 6.431 -4.245 14.518 1.00 0.00 C ATOM 1229 C TYR A 102 5.128 -4.809 15.103 1.00 0.00 C ATOM 1230 O TYR A 102 4.133 -4.932 14.420 1.00 0.00 O ATOM 1231 CB TYR A 102 7.408 -5.386 14.175 1.00 0.00 C ATOM 1232 CG TYR A 102 6.682 -6.532 13.501 1.00 0.00 C ATOM 1233 CD1 TYR A 102 6.031 -7.487 14.287 1.00 0.00 C ATOM 1234 CD2 TYR A 102 6.667 -6.648 12.104 1.00 0.00 C ATOM 1235 CE1 TYR A 102 5.359 -8.555 13.685 1.00 0.00 C ATOM 1236 CE2 TYR A 102 5.995 -7.721 11.501 1.00 0.00 C ATOM 1237 CZ TYR A 102 5.341 -8.672 12.291 1.00 0.00 C ATOM 1238 OH TYR A 102 4.680 -9.728 11.696 1.00 0.00 O ATOM 0 H TYR A 102 7.923 -3.695 15.949 1.00 0.00 H new ATOM 0 HA TYR A 102 6.205 -3.693 13.605 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.195 -5.012 13.520 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.893 -5.741 15.084 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.047 -7.400 15.363 1.00 0.00 H new ATOM 0 HD2 TYR A 102 7.171 -5.913 11.494 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.854 -9.289 14.296 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.982 -7.813 10.425 1.00 0.00 H new ATOM 0 HH TYR A 102 4.764 -9.659 10.722 1.00 0.00 H new ATOM 1248 N ALA A 103 5.133 -5.150 16.363 1.00 0.00 N ATOM 1249 CA ALA A 103 3.900 -5.703 17.000 1.00 0.00 C ATOM 1250 C ALA A 103 2.758 -4.691 16.895 1.00 0.00 C ATOM 1251 O ALA A 103 1.649 -5.032 16.538 1.00 0.00 O ATOM 1252 CB ALA A 103 4.176 -5.996 18.477 1.00 0.00 C ATOM 0 H ALA A 103 5.940 -5.070 16.982 1.00 0.00 H new ATOM 0 HA ALA A 103 3.617 -6.622 16.486 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.277 -6.399 18.942 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.984 -6.723 18.559 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.464 -5.075 18.983 1.00 0.00 H new ATOM 1258 N ALA A 104 3.013 -3.452 17.210 1.00 0.00 N ATOM 1259 CA ALA A 104 1.931 -2.431 17.132 1.00 0.00 C ATOM 1260 C ALA A 104 1.363 -2.392 15.712 1.00 0.00 C ATOM 1261 O ALA A 104 0.165 -2.359 15.514 1.00 0.00 O ATOM 1262 CB ALA A 104 2.496 -1.058 17.503 1.00 0.00 C ATOM 0 H ALA A 104 3.921 -3.103 17.517 1.00 0.00 H new ATOM 0 HA ALA A 104 1.134 -2.692 17.829 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.704 -0.311 17.446 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.892 -1.090 18.518 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.295 -0.794 16.810 1.00 0.00 H new ATOM 1268 N TYR A 105 2.211 -2.398 14.721 1.00 0.00 N ATOM 1269 CA TYR A 105 1.720 -2.364 13.319 1.00 0.00 C ATOM 1270 C TYR A 105 1.054 -3.707 12.985 1.00 0.00 C ATOM 1271 O TYR A 105 0.021 -3.756 12.348 1.00 0.00 O ATOM 1272 CB TYR A 105 2.920 -2.117 12.385 1.00 0.00 C ATOM 1273 CG TYR A 105 3.097 -0.634 12.135 1.00 0.00 C ATOM 1274 CD1 TYR A 105 2.352 0.000 11.134 1.00 0.00 C ATOM 1275 CD2 TYR A 105 4.007 0.102 12.903 1.00 0.00 C ATOM 1276 CE1 TYR A 105 2.517 1.370 10.900 1.00 0.00 C ATOM 1277 CE2 TYR A 105 4.171 1.473 12.669 1.00 0.00 C ATOM 1278 CZ TYR A 105 3.426 2.107 11.667 1.00 0.00 C ATOM 1279 OH TYR A 105 3.589 3.457 11.437 1.00 0.00 O ATOM 0 H TYR A 105 3.225 -2.425 14.824 1.00 0.00 H new ATOM 0 HA TYR A 105 0.989 -1.566 13.189 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.826 -2.528 12.830 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.766 -2.636 11.439 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.650 -0.568 10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.582 -0.387 13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.942 1.859 10.127 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.872 2.042 13.262 1.00 0.00 H new ATOM 0 HH TYR A 105 4.257 3.816 12.057 1.00 0.00 H new ATOM 1289 N GLN A 106 1.642 -4.794 13.406 1.00 0.00 N ATOM 1290 CA GLN A 106 1.052 -6.125 13.113 1.00 0.00 C ATOM 1291 C GLN A 106 -0.274 -6.267 13.862 1.00 0.00 C ATOM 1292 O GLN A 106 -1.187 -6.932 13.414 1.00 0.00 O ATOM 1293 CB GLN A 106 2.030 -7.215 13.576 1.00 0.00 C ATOM 1294 CG GLN A 106 1.597 -8.608 13.036 1.00 0.00 C ATOM 1295 CD GLN A 106 1.226 -9.550 14.194 1.00 0.00 C ATOM 1296 OE1 GLN A 106 0.293 -9.202 15.042 1.00 0.00 O flip ATOM 1297 NE2 GLN A 106 1.794 -10.616 14.326 1.00 0.00 N flip ATOM 0 H GLN A 106 2.509 -4.814 13.942 1.00 0.00 H new ATOM 0 HA GLN A 106 0.871 -6.226 12.043 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.036 -6.981 13.227 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.068 -7.237 14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.745 -8.495 12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.407 -9.044 12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.522 -10.891 13.667 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.543 -11.236 15.096 1.00 0.00 H new ATOM 1306 N GLN A 107 -0.383 -5.643 15.002 1.00 0.00 N ATOM 1307 CA GLN A 107 -1.644 -5.731 15.791 1.00 0.00 C ATOM 1308 C GLN A 107 -2.740 -4.919 15.096 1.00 0.00 C ATOM 1309 O GLN A 107 -3.861 -5.364 14.952 1.00 0.00 O ATOM 1310 CB GLN A 107 -1.396 -5.166 17.194 1.00 0.00 C ATOM 1311 CG GLN A 107 -2.636 -5.373 18.072 1.00 0.00 C ATOM 1312 CD GLN A 107 -3.695 -4.320 17.733 1.00 0.00 C ATOM 1313 OE1 GLN A 107 -3.403 -3.336 17.082 1.00 0.00 O ATOM 1314 NE2 GLN A 107 -4.920 -4.486 18.151 1.00 0.00 N ATOM 0 H GLN A 107 0.351 -5.073 15.423 1.00 0.00 H new ATOM 0 HA GLN A 107 -1.961 -6.771 15.865 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.535 -5.658 17.646 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.159 -4.104 17.130 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.041 -6.373 17.915 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.363 -5.301 19.125 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.165 -5.312 18.697 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.633 -3.790 17.931 1.00 0.00 H new ATOM 1323 N LEU A 108 -2.424 -3.727 14.671 1.00 0.00 N ATOM 1324 CA LEU A 108 -3.443 -2.876 13.992 1.00 0.00 C ATOM 1325 C LEU A 108 -3.763 -3.449 12.608 1.00 0.00 C ATOM 1326 O LEU A 108 -4.394 -2.808 11.792 1.00 0.00 O ATOM 1327 CB LEU A 108 -2.892 -1.457 13.848 1.00 0.00 C ATOM 1328 CG LEU A 108 -2.750 -0.816 15.240 1.00 0.00 C ATOM 1329 CD1 LEU A 108 -1.936 0.480 15.127 1.00 0.00 C ATOM 1330 CD2 LEU A 108 -4.139 -0.510 15.837 1.00 0.00 C ATOM 0 H LEU A 108 -1.501 -3.304 14.765 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.357 -2.858 14.586 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.924 -1.481 13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.558 -0.858 13.227 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.234 -1.515 15.899 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.836 0.934 16.113 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.947 0.255 14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.447 1.173 14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.020 -0.057 16.821 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.673 0.179 15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.707 -1.436 15.930 1.00 0.00 H new ATOM 1342 N GLN A 109 -3.341 -4.654 12.343 1.00 0.00 N ATOM 1343 CA GLN A 109 -3.628 -5.277 11.018 1.00 0.00 C ATOM 1344 C GLN A 109 -3.351 -4.280 9.889 1.00 0.00 C ATOM 1345 O GLN A 109 -4.001 -4.300 8.862 1.00 0.00 O ATOM 1346 CB GLN A 109 -5.096 -5.704 10.967 1.00 0.00 C ATOM 1347 CG GLN A 109 -5.458 -6.442 12.258 1.00 0.00 C ATOM 1348 CD GLN A 109 -6.801 -7.153 12.080 1.00 0.00 C ATOM 1349 OE1 GLN A 109 -7.845 -6.548 12.222 1.00 0.00 O ATOM 1350 NE2 GLN A 109 -6.818 -8.421 11.772 1.00 0.00 N ATOM 0 H GLN A 109 -2.808 -5.237 12.988 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.983 -6.146 10.889 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.736 -4.830 10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.268 -6.350 10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.681 -7.166 12.506 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.514 -5.738 13.088 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -5.941 -8.929 11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.708 -8.904 11.650 1.00 0.00 H new ATOM 1359 N ARG A 110 -2.388 -3.415 10.058 1.00 0.00 N ATOM 1360 CA ARG A 110 -2.076 -2.436 8.982 1.00 0.00 C ATOM 1361 C ARG A 110 -1.602 -3.199 7.749 1.00 0.00 C ATOM 1362 O ARG A 110 -1.190 -4.337 7.832 1.00 0.00 O ATOM 1363 CB ARG A 110 -0.967 -1.488 9.455 1.00 0.00 C ATOM 1364 CG ARG A 110 -1.519 -0.489 10.493 1.00 0.00 C ATOM 1365 CD ARG A 110 -2.177 0.705 9.789 1.00 0.00 C ATOM 1366 NE ARG A 110 -2.548 1.732 10.802 1.00 0.00 N ATOM 1367 CZ ARG A 110 -3.615 1.569 11.536 1.00 0.00 C ATOM 1368 NH1 ARG A 110 -4.356 0.506 11.383 1.00 0.00 N ATOM 1369 NH2 ARG A 110 -3.940 2.468 12.424 1.00 0.00 N ATOM 0 H ARG A 110 -1.806 -3.345 10.893 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.965 -1.853 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.151 -2.063 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.555 -0.947 8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.246 -0.986 11.135 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.711 -0.140 11.137 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.492 1.132 9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.063 0.378 9.245 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.968 2.563 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.101 -0.198 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.190 0.379 11.957 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.360 3.298 12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.774 2.340 12.997 1.00 0.00 H new ATOM 1383 N GLU A 111 -1.673 -2.584 6.606 1.00 0.00 N ATOM 1384 CA GLU A 111 -1.239 -3.275 5.356 1.00 0.00 C ATOM 1385 C GLU A 111 0.288 -3.198 5.207 1.00 0.00 C ATOM 1386 O GLU A 111 0.923 -4.158 4.814 1.00 0.00 O ATOM 1387 CB GLU A 111 -1.910 -2.613 4.148 1.00 0.00 C ATOM 1388 CG GLU A 111 -3.373 -3.054 4.074 1.00 0.00 C ATOM 1389 CD GLU A 111 -4.106 -2.610 5.342 1.00 0.00 C ATOM 1390 OE1 GLU A 111 -3.811 -1.529 5.825 1.00 0.00 O ATOM 1391 OE2 GLU A 111 -4.949 -3.359 5.808 1.00 0.00 O ATOM 0 H GLU A 111 -2.013 -1.631 6.479 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.533 -4.323 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.850 -1.528 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.389 -2.890 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.850 -2.621 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.432 -4.137 3.968 1.00 0.00 H new ATOM 1398 N THR A 112 0.886 -2.063 5.500 1.00 0.00 N ATOM 1399 CA THR A 112 2.374 -1.929 5.352 1.00 0.00 C ATOM 1400 C THR A 112 2.968 -1.248 6.581 1.00 0.00 C ATOM 1401 O THR A 112 2.262 -0.836 7.480 1.00 0.00 O ATOM 1402 CB THR A 112 2.672 -1.058 4.130 1.00 0.00 C ATOM 1403 OG1 THR A 112 1.940 0.155 4.236 1.00 0.00 O ATOM 1404 CG2 THR A 112 2.265 -1.784 2.837 1.00 0.00 C ATOM 0 H THR A 112 0.409 -1.226 5.834 1.00 0.00 H new ATOM 0 HA THR A 112 2.810 -2.922 5.239 1.00 0.00 H new ATOM 0 HB THR A 112 3.742 -0.852 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.864 0.570 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.484 -1.149 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.824 -2.716 2.751 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.197 -2.003 2.863 1.00 0.00 H new ATOM 1412 N ILE A 113 4.274 -1.115 6.615 1.00 0.00 N ATOM 1413 CA ILE A 113 4.940 -0.440 7.780 1.00 0.00 C ATOM 1414 C ILE A 113 6.076 0.472 7.276 1.00 0.00 C ATOM 1415 O ILE A 113 6.802 0.087 6.380 1.00 0.00 O ATOM 1416 CB ILE A 113 5.546 -1.492 8.719 1.00 0.00 C ATOM 1417 CG1 ILE A 113 6.006 -0.798 10.005 1.00 0.00 C ATOM 1418 CG2 ILE A 113 6.755 -2.166 8.055 1.00 0.00 C ATOM 1419 CD1 ILE A 113 6.448 -1.844 11.033 1.00 0.00 C ATOM 0 H ILE A 113 4.909 -1.444 5.887 1.00 0.00 H new ATOM 0 HA ILE A 113 4.193 0.149 8.312 1.00 0.00 H new ATOM 0 HB ILE A 113 4.795 -2.250 8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.830 -0.119 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.195 -0.195 10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.175 -2.910 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.439 -2.653 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.511 -1.415 7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.774 -1.343 11.945 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.612 -2.506 11.261 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.273 -2.429 10.626 1.00 0.00 H new ATOM 1431 N PRO A 114 6.283 1.650 7.847 1.00 0.00 N ATOM 1432 CA PRO A 114 7.406 2.526 7.405 1.00 0.00 C ATOM 1433 C PRO A 114 8.755 1.900 7.779 1.00 0.00 C ATOM 1434 O PRO A 114 8.960 1.470 8.896 1.00 0.00 O ATOM 1435 CB PRO A 114 7.188 3.857 8.162 1.00 0.00 C ATOM 1436 CG PRO A 114 5.804 3.776 8.731 1.00 0.00 C ATOM 1437 CD PRO A 114 5.513 2.291 8.938 1.00 0.00 C ATOM 0 HA PRO A 114 7.421 2.668 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.929 3.985 8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.286 4.710 7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.738 4.320 9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.078 4.224 8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.840 1.948 9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.448 2.073 8.863 1.00 0.00 H new ATOM 1445 N ALA A 115 9.670 1.837 6.856 1.00 0.00 N ATOM 1446 CA ALA A 115 10.998 1.229 7.163 1.00 0.00 C ATOM 1447 C ALA A 115 12.070 1.840 6.261 1.00 0.00 C ATOM 1448 O ALA A 115 11.889 1.988 5.068 1.00 0.00 O ATOM 1449 CB ALA A 115 10.933 -0.280 6.922 1.00 0.00 C ATOM 0 H ALA A 115 9.559 2.179 5.902 1.00 0.00 H new ATOM 0 HA ALA A 115 11.250 1.425 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.902 -0.726 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.173 -0.719 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.677 -0.471 5.880 1.00 0.00 H new ATOM 1455 N LYS A 116 13.190 2.190 6.828 1.00 0.00 N ATOM 1456 CA LYS A 116 14.290 2.785 6.024 1.00 0.00 C ATOM 1457 C LYS A 116 15.021 1.668 5.272 1.00 0.00 C ATOM 1458 O LYS A 116 15.613 0.792 5.872 1.00 0.00 O ATOM 1459 CB LYS A 116 15.267 3.498 6.973 1.00 0.00 C ATOM 1460 CG LYS A 116 14.749 4.905 7.289 1.00 0.00 C ATOM 1461 CD LYS A 116 15.509 5.474 8.490 1.00 0.00 C ATOM 1462 CE LYS A 116 16.986 5.652 8.129 1.00 0.00 C ATOM 1463 NZ LYS A 116 17.633 6.559 9.120 1.00 0.00 N ATOM 0 H LYS A 116 13.391 2.088 7.823 1.00 0.00 H new ATOM 0 HA LYS A 116 13.889 3.501 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.377 2.926 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.254 3.558 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.878 5.554 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.681 4.870 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.079 6.431 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.412 4.804 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.489 4.685 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.079 6.067 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.637 6.681 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.158 7.484 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.556 6.145 10.071 1.00 0.00 H new ATOM 1477 N LEU A 117 14.990 1.688 3.966 1.00 0.00 N ATOM 1478 CA LEU A 117 15.695 0.617 3.199 1.00 0.00 C ATOM 1479 C LEU A 117 17.193 0.923 3.154 1.00 0.00 C ATOM 1480 O LEU A 117 17.603 2.049 2.954 1.00 0.00 O ATOM 1481 CB LEU A 117 15.161 0.541 1.762 1.00 0.00 C ATOM 1482 CG LEU A 117 13.638 0.326 1.753 1.00 0.00 C ATOM 1483 CD1 LEU A 117 13.168 0.127 0.304 1.00 0.00 C ATOM 1484 CD2 LEU A 117 13.267 -0.914 2.579 1.00 0.00 C ATOM 0 H LEU A 117 14.513 2.391 3.401 1.00 0.00 H new ATOM 0 HA LEU A 117 15.519 -0.337 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.406 1.460 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.651 -0.275 1.231 1.00 0.00 H new ATOM 0 HG LEU A 117 13.153 1.199 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.089 -0.026 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.417 1.010 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.664 -0.745 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.186 -1.052 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.752 -1.793 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.600 -0.779 3.608 1.00 0.00 H new ATOM 1496 N VAL A 118 18.010 -0.083 3.340 1.00 0.00 N ATOM 1497 CA VAL A 118 19.493 0.109 3.314 1.00 0.00 C ATOM 1498 C VAL A 118 20.120 -0.936 2.388 1.00 0.00 C ATOM 1499 O VAL A 118 20.237 -2.094 2.734 1.00 0.00 O ATOM 1500 CB VAL A 118 20.043 -0.069 4.733 1.00 0.00 C ATOM 1501 CG1 VAL A 118 21.573 -0.102 4.697 1.00 0.00 C ATOM 1502 CG2 VAL A 118 19.574 1.094 5.609 1.00 0.00 C ATOM 0 H VAL A 118 17.708 -1.042 3.511 1.00 0.00 H new ATOM 0 HA VAL A 118 19.733 1.108 2.949 1.00 0.00 H new ATOM 0 HB VAL A 118 19.676 -1.008 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.958 -0.229 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.904 -0.934 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.947 0.833 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.964 0.969 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.938 2.033 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.485 1.110 5.640 1.00 0.00 H new ATOM 1512 N GLN A 119 20.528 -0.534 1.216 1.00 0.00 N ATOM 1513 CA GLN A 119 21.153 -1.510 0.278 1.00 0.00 C ATOM 1514 C GLN A 119 22.407 -2.091 0.936 1.00 0.00 C ATOM 1515 O GLN A 119 23.274 -1.366 1.382 1.00 0.00 O ATOM 1516 CB GLN A 119 21.533 -0.800 -1.030 1.00 0.00 C ATOM 1517 CG GLN A 119 22.004 -1.829 -2.072 1.00 0.00 C ATOM 1518 CD GLN A 119 23.476 -2.169 -1.837 1.00 0.00 C ATOM 1519 OE1 GLN A 119 23.784 -3.269 -1.217 1.00 0.00 O flip ATOM 1520 NE2 GLN A 119 24.353 -1.423 -2.223 1.00 0.00 N flip ATOM 0 H GLN A 119 20.457 0.422 0.868 1.00 0.00 H new ATOM 0 HA GLN A 119 20.449 -2.311 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.676 -0.247 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.323 -0.073 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.398 -2.732 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 119 21.870 -1.430 -3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.111 -0.560 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 119 25.332 -1.660 -2.061 1.00 0.00 H new ATOM 1529 N SER A 120 22.503 -3.396 1.013 1.00 0.00 N ATOM 1530 CA SER A 120 23.694 -4.038 1.658 1.00 0.00 C ATOM 1531 C SER A 120 24.185 -5.201 0.791 1.00 0.00 C ATOM 1532 O SER A 120 23.637 -5.484 -0.256 1.00 0.00 O ATOM 1533 CB SER A 120 23.289 -4.566 3.038 1.00 0.00 C ATOM 1534 OG SER A 120 23.281 -3.496 3.971 1.00 0.00 O ATOM 0 H SER A 120 21.805 -4.048 0.655 1.00 0.00 H new ATOM 0 HA SER A 120 24.494 -3.305 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.302 -5.026 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.985 -5.340 3.362 1.00 0.00 H new ATOM 0 HG SER A 120 23.020 -3.833 4.853 1.00 0.00 H new ATOM 1540 N THR A 121 25.218 -5.875 1.233 1.00 0.00 N ATOM 1541 CA THR A 121 25.776 -7.030 0.462 1.00 0.00 C ATOM 1542 C THR A 121 25.652 -8.300 1.305 1.00 0.00 C ATOM 1543 O THR A 121 25.484 -8.246 2.507 1.00 0.00 O ATOM 1544 CB THR A 121 27.253 -6.766 0.158 1.00 0.00 C ATOM 1545 OG1 THR A 121 27.893 -6.267 1.324 1.00 0.00 O ATOM 1546 CG2 THR A 121 27.368 -5.739 -0.969 1.00 0.00 C ATOM 0 H THR A 121 25.704 -5.672 2.106 1.00 0.00 H new ATOM 0 HA THR A 121 25.227 -7.152 -0.471 1.00 0.00 H new ATOM 0 HB THR A 121 27.733 -7.695 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 121 28.839 -6.099 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 121 28.420 -5.552 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 121 26.877 -6.123 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 121 26.889 -4.809 -0.664 1.00 0.00 H new ATOM 1554 N LEU A 122 25.723 -9.445 0.689 1.00 0.00 N ATOM 1555 CA LEU A 122 25.597 -10.707 1.474 1.00 0.00 C ATOM 1556 C LEU A 122 26.630 -10.717 2.611 1.00 0.00 C ATOM 1557 O LEU A 122 26.357 -11.188 3.697 1.00 0.00 O ATOM 1558 CB LEU A 122 25.815 -11.920 0.556 1.00 0.00 C ATOM 1559 CG LEU A 122 25.453 -13.220 1.297 1.00 0.00 C ATOM 1560 CD1 LEU A 122 23.934 -13.298 1.551 1.00 0.00 C ATOM 1561 CD2 LEU A 122 25.883 -14.415 0.443 1.00 0.00 C ATOM 0 H LEU A 122 25.861 -9.564 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 122 24.596 -10.763 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 122 25.203 -11.821 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.854 -11.956 0.230 1.00 0.00 H new ATOM 0 HG LEU A 122 25.968 -13.234 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.700 -14.224 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.623 -12.448 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.404 -13.277 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.631 -15.341 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.366 -14.382 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.959 -14.374 0.276 1.00 0.00 H new ATOM 1573 N SER A 123 27.810 -10.198 2.381 1.00 0.00 N ATOM 1574 CA SER A 123 28.838 -10.180 3.462 1.00 0.00 C ATOM 1575 C SER A 123 28.257 -9.497 4.702 1.00 0.00 C ATOM 1576 O SER A 123 28.381 -9.986 5.808 1.00 0.00 O ATOM 1577 CB SER A 123 30.069 -9.409 2.983 1.00 0.00 C ATOM 1578 OG SER A 123 30.896 -9.100 4.095 1.00 0.00 O ATOM 0 H SER A 123 28.104 -9.788 1.494 1.00 0.00 H new ATOM 0 HA SER A 123 29.125 -11.202 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 123 30.624 -10.004 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 123 29.764 -8.493 2.478 1.00 0.00 H new ATOM 0 HG SER A 123 31.686 -8.607 3.788 1.00 0.00 H new ATOM 1584 N ASP A 124 27.614 -8.373 4.528 1.00 0.00 N ATOM 1585 CA ASP A 124 27.019 -7.666 5.688 1.00 0.00 C ATOM 1586 C ASP A 124 26.082 -8.633 6.426 1.00 0.00 C ATOM 1587 O ASP A 124 26.053 -8.692 7.645 1.00 0.00 O ATOM 1588 CB ASP A 124 26.225 -6.464 5.170 1.00 0.00 C ATOM 1589 CG ASP A 124 27.184 -5.320 4.830 1.00 0.00 C ATOM 1590 OD1 ASP A 124 27.861 -4.853 5.732 1.00 0.00 O ATOM 1591 OD2 ASP A 124 27.225 -4.930 3.675 1.00 0.00 O ATOM 0 H ASP A 124 27.477 -7.916 3.626 1.00 0.00 H new ATOM 0 HA ASP A 124 27.796 -7.323 6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 124 25.653 -6.747 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 124 25.507 -6.138 5.923 1.00 0.00 H new ATOM 1596 N LEU A 125 25.314 -9.398 5.695 1.00 0.00 N ATOM 1597 CA LEU A 125 24.386 -10.352 6.357 1.00 0.00 C ATOM 1598 C LEU A 125 25.201 -11.387 7.142 1.00 0.00 C ATOM 1599 O LEU A 125 24.774 -11.861 8.169 1.00 0.00 O ATOM 1600 CB LEU A 125 23.487 -11.039 5.300 1.00 0.00 C ATOM 1601 CG LEU A 125 22.087 -11.315 5.881 1.00 0.00 C ATOM 1602 CD1 LEU A 125 21.335 -9.991 6.155 1.00 0.00 C ATOM 1603 CD2 LEU A 125 21.298 -12.169 4.884 1.00 0.00 C ATOM 0 H LEU A 125 25.291 -9.402 4.675 1.00 0.00 H new ATOM 0 HA LEU A 125 23.739 -9.815 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 125 23.403 -10.404 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.944 -11.974 4.977 1.00 0.00 H new ATOM 0 HG LEU A 125 22.190 -11.846 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 125 20.349 -10.211 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.900 -9.393 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 125 21.225 -9.435 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 125 20.305 -12.371 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 125 21.206 -11.634 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.821 -13.111 4.718 1.00 0.00 H new ATOM 1615 N ARG A 126 26.378 -11.731 6.687 1.00 0.00 N ATOM 1616 CA ARG A 126 27.201 -12.717 7.445 1.00 0.00 C ATOM 1617 C ARG A 126 27.503 -12.146 8.831 1.00 0.00 C ATOM 1618 O ARG A 126 27.505 -12.855 9.817 1.00 0.00 O ATOM 1619 CB ARG A 126 28.513 -12.970 6.695 1.00 0.00 C ATOM 1620 CG ARG A 126 29.256 -14.155 7.325 1.00 0.00 C ATOM 1621 CD ARG A 126 30.731 -14.116 6.916 1.00 0.00 C ATOM 1622 NE ARG A 126 31.358 -15.439 7.193 1.00 0.00 N ATOM 1623 CZ ARG A 126 31.080 -16.464 6.435 1.00 0.00 C ATOM 1624 NH1 ARG A 126 30.253 -16.331 5.435 1.00 0.00 N ATOM 1625 NH2 ARG A 126 31.630 -17.623 6.678 1.00 0.00 N ATOM 0 H ARG A 126 26.801 -11.375 5.830 1.00 0.00 H new ATOM 0 HA ARG A 126 26.658 -13.657 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 126 28.307 -13.176 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 126 29.139 -12.078 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 126 29.169 -14.116 8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 126 28.804 -15.093 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 126 30.820 -13.874 5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 126 31.252 -13.332 7.466 1.00 0.00 H new ATOM 0 HE ARG A 126 32.004 -15.543 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 126 29.823 -15.425 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 126 30.036 -17.132 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 126 32.277 -17.727 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 126 31.413 -18.425 6.086 1.00 0.00 H new ATOM 1639 N VAL A 127 27.744 -10.866 8.918 1.00 0.00 N ATOM 1640 CA VAL A 127 28.027 -10.257 10.244 1.00 0.00 C ATOM 1641 C VAL A 127 26.839 -10.535 11.168 1.00 0.00 C ATOM 1642 O VAL A 127 26.997 -10.748 12.354 1.00 0.00 O ATOM 1643 CB VAL A 127 28.215 -8.746 10.091 1.00 0.00 C ATOM 1644 CG1 VAL A 127 28.528 -8.134 11.457 1.00 0.00 C ATOM 1645 CG2 VAL A 127 29.379 -8.472 9.138 1.00 0.00 C ATOM 0 H VAL A 127 27.757 -10.219 8.129 1.00 0.00 H new ATOM 0 HA VAL A 127 28.938 -10.684 10.663 1.00 0.00 H new ATOM 0 HB VAL A 127 27.302 -8.304 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 127 28.662 -7.058 11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 127 27.703 -8.331 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 127 29.442 -8.577 11.853 1.00 0.00 H new ATOM 0 HG21 VAL A 127 29.514 -7.396 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 127 30.291 -8.913 9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.163 -8.912 8.164 1.00 0.00 H new ATOM 1655 N TYR A 128 25.642 -10.529 10.630 1.00 0.00 N ATOM 1656 CA TYR A 128 24.434 -10.788 11.481 1.00 0.00 C ATOM 1657 C TYR A 128 24.110 -12.287 11.523 1.00 0.00 C ATOM 1658 O TYR A 128 23.871 -12.851 12.573 1.00 0.00 O ATOM 1659 CB TYR A 128 23.225 -10.058 10.890 1.00 0.00 C ATOM 1660 CG TYR A 128 23.421 -8.565 10.979 1.00 0.00 C ATOM 1661 CD1 TYR A 128 23.147 -7.891 12.174 1.00 0.00 C ATOM 1662 CD2 TYR A 128 23.867 -7.853 9.860 1.00 0.00 C ATOM 1663 CE1 TYR A 128 23.321 -6.504 12.251 1.00 0.00 C ATOM 1664 CE2 TYR A 128 24.039 -6.467 9.935 1.00 0.00 C ATOM 1665 CZ TYR A 128 23.767 -5.791 11.131 1.00 0.00 C ATOM 1666 OH TYR A 128 23.937 -4.424 11.206 1.00 0.00 O ATOM 0 H TYR A 128 25.449 -10.357 9.643 1.00 0.00 H new ATOM 0 HA TYR A 128 24.647 -10.431 12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 128 23.087 -10.352 9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 128 22.320 -10.346 11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 128 22.801 -8.441 13.037 1.00 0.00 H new ATOM 0 HD2 TYR A 128 24.079 -8.374 8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 128 23.111 -5.984 13.174 1.00 0.00 H new ATOM 0 HE2 TYR A 128 24.382 -5.918 9.070 1.00 0.00 H new ATOM 0 HH TYR A 128 24.252 -4.086 10.342 1.00 0.00 H new ATOM 1676 N LEU A 129 24.070 -12.924 10.381 1.00 0.00 N ATOM 1677 CA LEU A 129 23.729 -14.375 10.310 1.00 0.00 C ATOM 1678 C LEU A 129 24.930 -15.170 9.803 1.00 0.00 C ATOM 1679 O LEU A 129 24.797 -16.032 8.961 1.00 0.00 O ATOM 1680 CB LEU A 129 22.592 -14.546 9.310 1.00 0.00 C ATOM 1681 CG LEU A 129 21.328 -13.834 9.806 1.00 0.00 C ATOM 1682 CD1 LEU A 129 20.248 -13.947 8.723 1.00 0.00 C ATOM 1683 CD2 LEU A 129 20.830 -14.475 11.114 1.00 0.00 C ATOM 0 H LEU A 129 24.263 -12.490 9.478 1.00 0.00 H new ATOM 0 HA LEU A 129 23.446 -14.732 11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 129 22.888 -14.142 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 129 22.385 -15.606 9.163 1.00 0.00 H new ATOM 0 HG LEU A 129 21.551 -12.786 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 129 19.341 -13.445 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 129 20.603 -13.478 7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 129 20.032 -14.998 8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 129 19.932 -13.959 11.453 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.600 -15.526 10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.605 -14.395 11.876 1.00 0.00 H new ATOM 1695 N GLY A 130 26.095 -14.884 10.295 1.00 0.00 N ATOM 1696 CA GLY A 130 27.303 -15.621 9.830 1.00 0.00 C ATOM 1697 C GLY A 130 27.211 -17.103 10.225 1.00 0.00 C ATOM 1698 O GLY A 130 28.198 -17.712 10.589 1.00 0.00 O ATOM 0 H GLY A 130 26.268 -14.170 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.397 -15.532 8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 130 28.198 -15.177 10.266 1.00 0.00 H new ATOM 1702 N ALA A 131 26.044 -17.697 10.154 1.00 0.00 N ATOM 1703 CA ALA A 131 25.917 -19.138 10.522 1.00 0.00 C ATOM 1704 C ALA A 131 24.715 -19.750 9.793 1.00 0.00 C ATOM 1705 O ALA A 131 24.849 -20.714 9.065 1.00 0.00 O ATOM 1706 CB ALA A 131 25.731 -19.265 12.039 1.00 0.00 C ATOM 0 H ALA A 131 25.178 -17.246 9.858 1.00 0.00 H new ATOM 0 HA ALA A 131 26.821 -19.671 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 131 25.638 -20.317 12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 131 26.593 -18.835 12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 131 24.829 -18.733 12.341 1.00 0.00 H new ATOM 1712 N SER A 132 23.541 -19.200 9.978 1.00 0.00 N ATOM 1713 CA SER A 132 22.330 -19.750 9.291 1.00 0.00 C ATOM 1714 C SER A 132 22.031 -18.912 8.047 1.00 0.00 C ATOM 1715 O SER A 132 20.890 -18.661 7.715 1.00 0.00 O ATOM 1716 CB SER A 132 21.135 -19.684 10.244 1.00 0.00 C ATOM 1717 OG SER A 132 21.390 -20.497 11.380 1.00 0.00 O ATOM 0 H SER A 132 23.368 -18.392 10.576 1.00 0.00 H new ATOM 0 HA SER A 132 22.511 -20.785 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 132 20.959 -18.654 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.232 -20.023 9.736 1.00 0.00 H new ATOM 0 HG SER A 132 20.625 -20.454 11.992 1.00 0.00 H new ATOM 1723 N THR A 133 23.050 -18.468 7.363 1.00 0.00 N ATOM 1724 CA THR A 133 22.829 -17.634 6.146 1.00 0.00 C ATOM 1725 C THR A 133 22.371 -18.537 4.972 1.00 0.00 C ATOM 1726 O THR A 133 23.121 -19.385 4.532 1.00 0.00 O ATOM 1727 CB THR A 133 24.163 -16.938 5.775 1.00 0.00 C ATOM 1728 OG1 THR A 133 25.064 -17.047 6.866 1.00 0.00 O ATOM 1729 CG2 THR A 133 23.933 -15.455 5.457 1.00 0.00 C ATOM 0 H THR A 133 24.027 -18.647 7.594 1.00 0.00 H new ATOM 0 HA THR A 133 22.059 -16.887 6.341 1.00 0.00 H new ATOM 0 HB THR A 133 24.577 -17.424 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 133 24.672 -16.623 7.658 1.00 0.00 H new ATOM 0 HG21 THR A 133 24.883 -14.987 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 133 23.245 -15.366 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 133 23.508 -14.958 6.329 1.00 0.00 H new ATOM 1737 N PRO A 134 21.174 -18.359 4.447 1.00 0.00 N ATOM 1738 CA PRO A 134 20.688 -19.181 3.301 1.00 0.00 C ATOM 1739 C PRO A 134 21.274 -18.707 1.967 1.00 0.00 C ATOM 1740 O PRO A 134 22.051 -17.775 1.911 1.00 0.00 O ATOM 1741 CB PRO A 134 19.167 -18.985 3.327 1.00 0.00 C ATOM 1742 CG PRO A 134 18.956 -17.637 3.949 1.00 0.00 C ATOM 1743 CD PRO A 134 20.157 -17.378 4.874 1.00 0.00 C ATOM 0 HA PRO A 134 20.987 -20.225 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 134 18.747 -19.025 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 134 18.679 -19.768 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 134 18.885 -16.865 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 134 18.023 -17.613 4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 134 20.524 -16.357 4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 134 19.888 -17.516 5.921 1.00 0.00 H new ATOM 1751 N ASP A 135 20.893 -19.346 0.896 1.00 0.00 N ATOM 1752 CA ASP A 135 21.403 -18.954 -0.452 1.00 0.00 C ATOM 1753 C ASP A 135 20.330 -18.129 -1.162 1.00 0.00 C ATOM 1754 O ASP A 135 19.258 -18.613 -1.469 1.00 0.00 O ATOM 1755 CB ASP A 135 21.703 -20.214 -1.267 1.00 0.00 C ATOM 1756 CG ASP A 135 22.571 -19.850 -2.475 1.00 0.00 C ATOM 1757 OD1 ASP A 135 22.846 -18.675 -2.649 1.00 0.00 O ATOM 1758 OD2 ASP A 135 22.945 -20.754 -3.204 1.00 0.00 O ATOM 0 H ASP A 135 20.243 -20.132 0.895 1.00 0.00 H new ATOM 0 HA ASP A 135 22.315 -18.366 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 135 22.216 -20.948 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 135 20.773 -20.674 -1.600 1.00 0.00 H new ATOM 1763 N LEU A 136 20.607 -16.884 -1.411 1.00 0.00 N ATOM 1764 CA LEU A 136 19.603 -16.010 -2.086 1.00 0.00 C ATOM 1765 C LEU A 136 19.641 -16.220 -3.599 1.00 0.00 C ATOM 1766 O LEU A 136 20.693 -16.293 -4.204 1.00 0.00 O ATOM 1767 CB LEU A 136 19.915 -14.543 -1.785 1.00 0.00 C ATOM 1768 CG LEU A 136 19.840 -14.279 -0.276 1.00 0.00 C ATOM 1769 CD1 LEU A 136 20.207 -12.815 -0.011 1.00 0.00 C ATOM 1770 CD2 LEU A 136 18.419 -14.557 0.242 1.00 0.00 C ATOM 0 H LEU A 136 21.489 -16.428 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 136 18.613 -16.269 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.909 -14.293 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 136 19.208 -13.899 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 136 20.536 -14.938 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 136 20.157 -12.615 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.218 -12.623 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 136 19.507 -12.164 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 136 18.379 -14.366 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 136 17.711 -13.905 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 136 18.158 -15.598 0.049 1.00 0.00 H new ATOM 1782 N GLN A 137 18.486 -16.302 -4.212 1.00 0.00 N ATOM 1783 CA GLN A 137 18.404 -16.490 -5.692 1.00 0.00 C ATOM 1784 C GLN A 137 17.452 -15.440 -6.279 1.00 0.00 C ATOM 1785 O GLN A 137 17.905 -14.337 -6.531 1.00 0.00 O ATOM 1786 CB GLN A 137 17.877 -17.899 -5.999 1.00 0.00 C ATOM 1787 CG GLN A 137 18.523 -18.911 -5.050 1.00 0.00 C ATOM 1788 CD GLN A 137 20.047 -18.832 -5.176 1.00 0.00 C ATOM 1789 OE1 GLN A 137 20.780 -18.707 -4.101 1.00 0.00 O flip ATOM 1790 NE2 GLN A 137 20.579 -18.887 -6.267 1.00 0.00 N flip ATOM 1791 OXT GLN A 137 16.287 -15.753 -6.463 1.00 0.00 O ATOM 0 H GLN A 137 17.583 -16.246 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 137 19.393 -16.373 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 137 16.793 -17.924 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 137 18.099 -18.163 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 137 18.222 -18.705 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 137 18.180 -19.918 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 137 20.010 -18.985 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 137 21.595 -18.836 -6.342 1.00 0.00 H new